diff --git "a/test_out.pdb" "b/test_out.pdb" new file mode 100644--- /dev/null +++ "b/test_out.pdb" @@ -0,0 +1,3151 @@ +CRYST1 35.194 78.445 43.133 90.00 106.95 90.00 P 1 21 1 1 +ATOM 1 N SER A 1 13.575 -6.718 18.494 1.00 27.06 N +ATOM 2 CA SER A 1 12.134 -6.776 18.458 1.00 88.09 C +ATOM 3 C SER A 1 11.659 -6.005 17.244 1.00121.41 C +ATOM 4 O SER A 1 12.471 -5.429 16.487 1.00 23.67 O +ATOM 5 CB SER A 1 11.555 -6.164 19.733 1.00 83.13 C +ATOM 6 OG SER A 1 12.023 -4.840 19.920 1.00 71.09 O +ATOM 7 N VAL A 2 10.339 -6.025 17.044 1.00 92.75 N +ANISOU 7 N VAL A 2 11212 12831 11198 264 -752 -447 N +ATOM 8 CA VAL A 2 9.735 -5.112 16.083 1.00 64.57 C +ANISOU 8 CA VAL A 2 7055 10366 7114 238 -757 -420 C +ATOM 9 C VAL A 2 10.016 -3.674 16.488 1.00 40.70 C +ANISOU 9 C VAL A 2 4103 7980 3383 104 -636 -350 C +ATOM 10 O VAL A 2 10.292 -2.823 15.643 1.00 31.47 O +ANISOU 10 O VAL A 2 2787 7110 2060 -37 -445 -578 O +ATOM 11 CB VAL A 2 8.230 -5.396 15.930 1.00 61.07 C +ANISOU 11 CB VAL A 2 6028 10281 6894 296 -799 -453 C +ATOM 12 CG1 VAL A 2 7.583 -4.357 15.016 1.00 59.08 C +ANISOU 12 CG1 VAL A 2 5531 10255 6663 304 -1026 -485 C +ATOM 13 CG2 VAL A 2 8.019 -6.795 15.379 1.00 59.89 C +ANISOU 13 CG2 VAL A 2 5631 10268 6855 326 -867 -454 C +ATOM 14 H VAL A 2 9.786 -6.547 17.444 1.00111.32 H +ATOM 15 HA VAL A 2 10.139 -5.261 15.213 1.00 77.51 H +ATOM 16 HB VAL A 2 7.805 -5.341 16.800 1.00 73.31 H +ATOM 17 HG11 VAL A 2 6.633 -4.542 14.951 1.00 70.92 H +ATOM 18 HG12 VAL A 2 7.724 -3.474 15.392 1.00 70.92 H +ATOM 19 HG13 VAL A 2 7.991 -4.412 14.138 1.00 70.92 H +ATOM 20 HG21 VAL A 2 7.067 -6.964 15.302 1.00 71.88 H +ATOM 21 HG22 VAL A 2 8.437 -6.857 14.506 1.00 71.88 H +ATOM 22 HG23 VAL A 2 8.421 -7.437 15.985 1.00 71.88 H +ATOM 23 N LYS A 3 9.982 -3.380 17.791 1.00 27.76 N +ANISOU 23 N LYS A 3 3054 5940 1552 -74 -324 34 N +ATOM 24 CA LYS A 3 10.229 -2.010 18.232 1.00 21.51 C +ANISOU 24 CA LYS A 3 2956 4144 1074 -150 -149 237 C +ATOM 25 C LYS A 3 11.659 -1.577 17.937 1.00 17.85 C +ANISOU 25 C LYS A 3 2797 3045 940 -328 119 455 C +ATOM 26 O LYS A 3 11.888 -0.484 17.406 1.00 16.71 O +ANISOU 26 O LYS A 3 2889 2485 974 -679 141 354 O +ATOM 27 CB LYS A 3 9.872 -1.842 19.711 1.00 22.69 C +ANISOU 27 CB LYS A 3 3365 4046 1209 36 -110 259 C +ATOM 28 CG LYS A 3 8.362 -1.779 19.948 1.00 23.39 C +ANISOU 28 CG LYS A 3 3808 3860 1221 158 87 136 C +ATOM 29 CD LYS A 3 7.976 -1.565 21.414 1.00 25.71 C +ANISOU 29 CD LYS A 3 4306 3858 1603 344 511 196 C +ATOM 30 CE LYS A 3 6.464 -1.509 21.512 1.00 27.59 C +ANISOU 30 CE LYS A 3 4780 3923 1779 498 727 202 C +ATOM 31 NZ LYS A 3 5.964 -1.399 22.909 1.00 30.51 N1+ +ANISOU 31 NZ LYS A 3 5370 4051 2172 357 947 270 N1+ +ATOM 32 H LYS A 3 9.822 -3.942 18.422 1.00 33.33 H +ATOM 33 HA LYS A 3 9.644 -1.418 17.734 1.00 25.84 H +ATOM 34 HB2 LYS A 3 10.224 -2.597 20.209 1.00 27.25 H +ATOM 35 HB3 LYS A 3 10.263 -1.017 20.039 1.00 27.25 H +ATOM 36 HG2 LYS A 3 7.996 -1.042 19.435 1.00 28.09 H +ATOM 37 HG3 LYS A 3 7.965 -2.615 19.657 1.00 28.09 H +ATOM 38 HD2 LYS A 3 8.302 -2.302 21.954 1.00 30.87 H +ATOM 39 HD3 LYS A 3 8.346 -0.728 21.736 1.00 30.87 H +ATOM 40 HE2 LYS A 3 6.147 -0.735 21.022 1.00 33.13 H +ATOM 41 HE3 LYS A 3 6.095 -2.319 21.128 1.00 33.13 H +ATOM 42 HZ1 LYS A 3 5.075 -1.370 22.913 1.00 36.63 H +ATOM 43 HZ2 LYS A 3 6.232 -2.102 23.384 1.00 36.63 H +ATOM 44 HZ3 LYS A 3 6.279 -0.658 23.288 1.00 36.63 H +ATOM 45 N SER A 4 12.653 -2.413 18.243 1.00 17.47 N +ANISOU 45 N SER A 4 2930 2594 1113 -439 58 563 N +ATOM 46 CA SER A 4 14.032 -1.993 18.008 1.00 18.76 C +ANISOU 46 CA SER A 4 2938 2419 1770 -136 -76 602 C +ATOM 47 C SER A 4 14.320 -1.850 16.513 1.00 17.42 C +ANISOU 47 C SER A 4 3036 2138 1446 -183 63 578 C +ATOM 48 O SER A 4 15.020 -0.920 16.089 1.00 16.29 O +ANISOU 48 O SER A 4 2922 1949 1317 -205 -26 549 O +ATOM 49 CB SER A 4 15.007 -2.977 18.652 1.00 23.06 C +ANISOU 49 CB SER A 4 3426 2534 2801 -186 -246 721 C +ATOM 50 OG SER A 4 14.875 -4.248 18.075 1.00 27.81 O +ANISOU 50 OG SER A 4 4059 2744 3764 -46 -296 1036 O +ATOM 51 H SER A 4 12.558 -3.201 18.575 1.00 20.99 H +ATOM 52 HA SER A 4 14.166 -1.129 18.427 1.00 22.53 H +ATOM 53 HB2 SER A 4 15.913 -2.660 18.515 1.00 27.69 H +ATOM 54 HB3 SER A 4 14.816 -3.038 19.601 1.00 27.69 H +ATOM 55 HG SER A 4 15.495 -4.749 18.339 1.00 33.40 H +ATOM 56 N GLU A 5 13.778 -2.761 15.697 1.00 16.58 N +ANISOU 56 N GLU A 5 2875 2044 1379 -330 106 423 N +ATOM 57 CA GLU A 5 13.904 -2.652 14.251 1.00 16.68 C +ANISOU 57 CA GLU A 5 2905 2136 1296 -427 238 289 C +ATOM 58 C GLU A 5 13.197 -1.408 13.726 1.00 14.23 C +ANISOU 58 C GLU A 5 2711 1885 811 -219 295 193 C +ATOM 59 O GLU A 5 13.749 -0.698 12.880 1.00 14.86 O +ANISOU 59 O GLU A 5 2898 1716 1031 -441 488 -2 O +ATOM 60 CB GLU A 5 13.410 -3.935 13.574 1.00 21.15 C +ANISOU 60 CB GLU A 5 3466 2507 2063 -294 424 21 C +ATOM 61 CG GLU A 5 14.219 -5.186 13.996 1.00 27.20 C +ANISOU 61 CG GLU A 5 4304 2940 3089 -395 1089 -97 C +ATOM 62 CD GLU A 5 13.545 -6.526 13.718 1.00 35.04 C +ANISOU 62 CD GLU A 5 5492 3562 4261 -506 1550 -414 C +ATOM 63 OE1 GLU A 5 13.044 -7.171 14.667 1.00 36.96 O +ANISOU 63 OE1 GLU A 5 5686 3718 4641 -579 1614 -307 O +ATOM 64 OE2 GLU A 5 13.545 -6.949 12.531 1.00 37.70 O1- +ANISOU 64 OE2 GLU A 5 5925 3765 4634 -401 1825 -825 O1- +ATOM 65 H GLU A 5 13.333 -3.449 15.959 1.00 19.92 H +ATOM 66 HA GLU A 5 14.841 -2.561 14.018 1.00 20.03 H +ATOM 67 HB2 GLU A 5 12.482 -4.082 13.816 1.00 25.40 H +ATOM 68 HB3 GLU A 5 13.490 -3.835 12.613 1.00 25.40 H +ATOM 69 HG2 GLU A 5 15.061 -5.182 13.515 1.00 32.66 H +ATOM 70 HG3 GLU A 5 14.382 -5.138 14.951 1.00 32.66 H +ATOM 71 N TYR A 6 12.017 -1.075 14.280 1.00 14.17 N +ANISOU 71 N TYR A 6 2588 1804 991 -251 134 151 N +ATOM 72 CA TYR A 6 11.321 0.148 13.931 1.00 12.78 C +ANISOU 72 CA TYR A 6 2291 1694 869 -286 76 112 C +ATOM 73 C TYR A 6 12.216 1.348 14.226 1.00 12.20 C +ANISOU 73 C TYR A 6 2266 1600 771 -155 231 381 C +ATOM 74 O TYR A 6 12.342 2.174 13.400 1.00 12.13 O +ANISOU 74 O TYR A 6 2231 1492 887 -311 209 221 O +ATOM 75 CB TYR A 6 9.999 0.320 14.688 1.00 13.07 C +ANISOU 75 CB TYR A 6 2412 1681 872 -275 -118 389 C +ATOM 76 CG TYR A 6 9.328 1.670 14.461 1.00 12.75 C +ANISOU 76 CG TYR A 6 2328 1654 861 -236 -43 512 C +ATOM 77 CD1 TYR A 6 9.680 2.757 15.190 1.00 14.40 C +ANISOU 77 CD1 TYR A 6 2613 1814 1046 -126 260 215 C +ATOM 78 CD2 TYR A 6 8.369 1.839 13.501 1.00 13.53 C +ANISOU 78 CD2 TYR A 6 2435 1736 970 -310 -57 514 C +ATOM 79 CE1 TYR A 6 9.101 3.989 14.996 1.00 14.02 C +ANISOU 79 CE1 TYR A 6 2472 1904 951 -145 181 355 C +ATOM 80 CE2 TYR A 6 7.792 3.070 13.304 1.00 13.71 C +ANISOU 80 CE2 TYR A 6 2407 1681 1120 -244 -5 394 C +ATOM 81 CZ TYR A 6 8.158 4.130 14.083 1.00 13.40 C +ANISOU 81 CZ TYR A 6 2328 1783 980 -93 -84 359 C +ATOM 82 OH TYR A 6 7.600 5.313 13.911 1.00 15.04 O +ANISOU 82 OH TYR A 6 2779 1871 1066 -202 -81 294 O +ATOM 83 H TYR A 6 11.604 -1.552 14.864 1.00 17.02 H +ATOM 84 HA TYR A 6 11.098 0.096 12.988 1.00 15.35 H +ATOM 85 HB2 TYR A 6 9.382 -0.369 14.397 1.00 15.70 H +ATOM 86 HB3 TYR A 6 10.171 0.232 15.639 1.00 15.70 H +ATOM 87 HD1 TYR A 6 10.335 2.667 15.844 1.00 17.31 H +ATOM 88 HD2 TYR A 6 8.106 1.116 12.978 1.00 16.26 H +ATOM 89 HE1 TYR A 6 9.372 4.719 15.505 1.00 16.85 H +ATOM 90 HE2 TYR A 6 7.151 3.182 12.639 1.00 16.47 H +ATOM 91 HH TYR A 6 7.075 5.290 13.256 1.00 18.07 H +ATOM 92 N ALA A 7 12.890 1.386 15.368 1.00 12.91 N +ANISOU 92 N ALA A 7 2381 1587 936 -253 375 392 N +ATOM 93 CA ALA A 7 13.686 2.565 15.718 1.00 13.06 C +ANISOU 93 CA ALA A 7 2399 1627 936 -125 177 168 C +ATOM 94 C ALA A 7 14.875 2.715 14.779 1.00 12.36 C +ANISOU 94 C ALA A 7 2175 1615 907 -70 253 182 C +ATOM 95 O ALA A 7 15.272 3.835 14.439 1.00 11.48 O +ANISOU 95 O ALA A 7 2237 1485 639 -194 137 58 O +ATOM 96 CB ALA A 7 14.138 2.443 17.166 1.00 12.94 C +ANISOU 96 CB ALA A 7 2459 1716 740 -148 -26 171 C +ATOM 97 H ALA A 7 12.906 0.755 15.952 1.00 15.51 H +ATOM 98 HA ALA A 7 13.150 3.370 15.640 1.00 15.69 H +ATOM 99 HB1 ALA A 7 14.664 3.224 17.399 1.00 15.54 H +ATOM 100 HB2 ALA A 7 13.356 2.388 17.737 1.00 15.54 H +ATOM 101 HB3 ALA A 7 14.675 1.641 17.263 1.00 15.54 H +ATOM 102 N GLU A 8 15.436 1.605 14.318 1.00 12.61 N +ANISOU 102 N GLU A 8 2252 1536 1005 -83 336 221 N +ATOM 103 CA GLU A 8 16.502 1.676 13.334 1.00 13.87 C +ANISOU 103 CA GLU A 8 2488 1644 1139 -45 539 155 C +ATOM 104 C GLU A 8 16.006 2.303 12.040 1.00 12.41 C +ANISOU 104 C GLU A 8 2409 1446 861 -66 570 128 C +ATOM 105 O GLU A 8 16.669 3.164 11.465 1.00 12.45 O +ANISOU 105 O GLU A 8 2334 1412 984 -315 364 18 O +ATOM 106 CB GLU A 8 17.074 0.281 13.084 1.00 16.09 C +ANISOU 106 CB GLU A 8 2277 2002 1834 72 466 -11 C +ATOM 107 CG GLU A 8 18.281 0.277 12.134 1.00 19.26 C +ANISOU 107 CG GLU A 8 2785 2422 2110 205 427 10 C +ATOM 108 CD GLU A 8 18.738 -1.110 11.703 1.00 23.31 C +ANISOU 108 CD GLU A 8 3247 2787 2824 237 489 -107 C +ATOM 109 OE1 GLU A 8 17.995 -2.101 11.832 1.00 22.67 O +ANISOU 109 OE1 GLU A 8 3315 2664 2634 294 241 35 O +ATOM 110 OE2 GLU A 8 19.880 -1.206 11.216 1.00 27.96 O1- +ANISOU 110 OE2 GLU A 8 3696 3130 3798 192 504 -478 O1- +ATOM 111 H GLU A 8 15.220 0.808 14.556 1.00 15.16 H +ATOM 112 HA GLU A 8 17.217 2.233 13.680 1.00 16.67 H +ATOM 113 HB2 GLU A 8 17.360 -0.096 13.931 1.00 19.33 H +ATOM 114 HB3 GLU A 8 16.383 -0.275 12.690 1.00 19.33 H +ATOM 115 HG2 GLU A 8 18.046 0.770 11.332 1.00 23.13 H +ATOM 116 HG3 GLU A 8 19.028 0.706 12.580 1.00 23.13 H +ATOM 117 N ALA A 9 14.848 1.871 11.560 1.00 12.39 N +ANISOU 117 N ALA A 9 2452 1488 768 -159 423 109 N +ATOM 118 CA ALA A 9 14.307 2.407 10.322 1.00 12.42 C +ANISOU 118 CA ALA A 9 2332 1608 778 -329 441 -83 C +ATOM 119 C ALA A 9 13.882 3.850 10.500 1.00 10.95 C +ANISOU 119 C ALA A 9 2005 1580 576 -176 266 -14 C +ATOM 120 O ALA A 9 14.038 4.666 9.590 1.00 11.36 O +ANISOU 120 O ALA A 9 2091 1628 599 -352 175 -96 O +ATOM 121 CB ALA A 9 13.131 1.547 9.877 1.00 13.29 C +ANISOU 121 CB ALA A 9 2454 1559 1038 -329 347 -119 C +ATOM 122 H ALA A 9 14.357 1.270 11.931 1.00 14.89 H +ATOM 123 HA ALA A 9 14.980 2.379 9.624 1.00 14.92 H +ATOM 124 HB1 ALA A 9 12.763 1.914 9.058 1.00 15.98 H +ATOM 125 HB2 ALA A 9 13.443 0.641 9.723 1.00 15.98 H +ATOM 126 HB3 ALA A 9 12.456 1.550 10.573 1.00 15.98 H +ATOM 127 N ALA A 10 13.394 4.204 11.694 1.00 10.97 N +ANISOU 127 N ALA A 10 2040 1479 648 -219 254 129 N +ATOM 128 CA ALA A 10 13.005 5.582 11.972 1.00 10.27 C +ANISOU 128 CA ALA A 10 1893 1507 502 -135 121 44 C +ATOM 129 C ALA A 10 14.195 6.523 11.835 1.00 10.20 C +ANISOU 129 C ALA A 10 1872 1482 522 -163 203 -66 C +ATOM 130 O ALA A 10 14.080 7.579 11.210 1.00 10.86 O +ANISOU 130 O ALA A 10 2008 1551 566 -163 188 135 O +ATOM 131 CB ALA A 10 12.402 5.672 13.369 1.00 10.69 C +ANISOU 131 CB ALA A 10 1923 1549 590 70 202 154 C +ATOM 132 H ALA A 10 13.280 3.666 12.355 1.00 13.18 H +ATOM 133 HA ALA A 10 12.330 5.860 11.334 1.00 12.34 H +ATOM 134 HB1 ALA A 10 12.140 6.590 13.541 1.00 12.85 H +ATOM 135 HB2 ALA A 10 11.626 5.092 13.416 1.00 12.85 H +ATOM 136 HB3 ALA A 10 13.065 5.390 14.018 1.00 12.85 H +ATOM 137 N ALA A 11 15.356 6.134 12.358 1.00 11.15 N +ANISOU 137 N ALA A 11 2130 1400 707 -140 167 -22 N +ATOM 138 CA ALA A 11 16.534 6.991 12.242 1.00 10.93 C +ANISOU 138 CA ALA A 11 1944 1428 781 -224 -27 75 C +ATOM 139 C ALA A 11 16.961 7.197 10.785 1.00 11.02 C +ANISOU 139 C ALA A 11 1889 1465 832 -268 139 74 C +ATOM 140 O ALA A 11 17.387 8.296 10.414 1.00 10.97 O +ANISOU 140 O ALA A 11 2115 1379 673 -169 231 57 O +ATOM 141 CB ALA A 11 17.685 6.435 13.086 1.00 11.70 C +ANISOU 141 CB ALA A 11 2100 1362 984 -261 -34 198 C +ATOM 142 H ALA A 11 15.487 5.394 12.777 1.00 13.40 H +ATOM 143 HA ALA A 11 16.306 7.865 12.595 1.00 13.14 H +ATOM 144 HB1 ALA A 11 18.451 7.025 13.004 1.00 14.06 H +ATOM 145 HB2 ALA A 11 17.402 6.387 14.013 1.00 14.06 H +ATOM 146 HB3 ALA A 11 17.914 5.549 12.764 1.00 14.06 H +ATOM 147 N VAL A 12 16.834 6.162 9.940 1.00 9.97 N +ANISOU 147 N VAL A 12 1674 1336 778 -230 -12 4 N +ATOM 148 CA VAL A 12 17.105 6.315 8.496 1.00 10.25 C +ANISOU 148 CA VAL A 12 1682 1445 767 -325 111 83 C +ATOM 149 C VAL A 12 16.091 7.271 7.866 1.00 9.75 C +ANISOU 149 C VAL A 12 1766 1448 491 -304 -15 56 C +ATOM 150 O VAL A 12 16.465 8.198 7.141 1.00 10.05 O +ANISOU 150 O VAL A 12 1686 1549 585 -261 126 19 O +ATOM 151 CB VAL A 12 17.096 4.940 7.788 1.00 10.98 C +ANISOU 151 CB VAL A 12 1948 1551 672 -335 -227 -93 C +ATOM 152 CG1 VAL A 12 17.242 5.119 6.251 1.00 12.56 C +ANISOU 152 CG1 VAL A 12 2226 1617 930 -22 120 12 C +ATOM 153 CG2 VAL A 12 18.185 4.044 8.365 1.00 12.79 C +ANISOU 153 CG2 VAL A 12 2320 1579 959 -445 211 29 C +ATOM 154 H VAL A 12 16.595 5.369 10.171 1.00 11.98 H +ATOM 155 HA VAL A 12 17.990 6.698 8.391 1.00 12.32 H +ATOM 156 HB VAL A 12 16.246 4.499 7.944 1.00 13.19 H +ATOM 157 HG11 VAL A 12 17.486 4.267 5.856 1.00 15.10 H +ATOM 158 HG12 VAL A 12 16.396 5.423 5.887 1.00 15.10 H +ATOM 159 HG13 VAL A 12 17.933 5.776 6.074 1.00 15.10 H +ATOM 160 HG21 VAL A 12 18.179 3.196 7.893 1.00 15.36 H +ATOM 161 HG22 VAL A 12 19.045 4.479 8.253 1.00 15.36 H +ATOM 162 HG23 VAL A 12 18.008 3.899 9.308 1.00 15.36 H +ATOM 163 N GLY A 13 14.799 7.103 8.192 1.00 9.34 N +ANISOU 163 N GLY A 13 1606 1420 523 -200 47 -3 N +ATOM 164 CA GLY A 13 13.795 8.005 7.663 1.00 10.85 C +ANISOU 164 CA GLY A 13 1821 1402 898 -207 210 -80 C +ATOM 165 C GLY A 13 13.970 9.443 8.121 1.00 9.59 C +ANISOU 165 C GLY A 13 1791 1349 502 -20 239 -19 C +ATOM 166 O GLY A 13 13.792 10.380 7.331 1.00 9.70 O +ANISOU 166 O GLY A 13 1824 1294 569 -70 107 53 O +ATOM 167 H GLY A 13 14.495 6.485 8.707 1.00 11.23 H +ATOM 168 HA2 GLY A 13 13.836 7.991 6.694 1.00 13.04 H +ATOM 169 HA3 GLY A 13 12.918 7.704 7.947 1.00 13.04 H +ATOM 170 N GLN A 14 14.360 9.634 9.391 1.00 10.04 N +ANISOU 170 N GLN A 14 1908 1403 502 -64 103 -114 N +ATOM 171 CA GLN A 14 14.593 10.965 9.932 1.00 10.29 C +ANISOU 171 CA GLN A 14 1922 1475 513 -56 151 -105 C +ATOM 172 C GLN A 14 15.758 11.625 9.218 1.00 10.34 C +ANISOU 172 C GLN A 14 1969 1376 584 -291 252 38 C +ATOM 173 O GLN A 14 15.716 12.825 8.918 1.00 10.09 O +ANISOU 173 O GLN A 14 1925 1301 607 -280 274 110 O +ATOM 174 CB GLN A 14 14.851 10.862 11.429 1.00 10.18 C +ANISOU 174 CB GLN A 14 1910 1476 482 -46 42 -37 C +ATOM 175 CG GLN A 14 13.625 10.452 12.234 1.00 10.01 C +ANISOU 175 CG GLN A 14 1790 1448 564 -132 331 -60 C +ATOM 176 CD GLN A 14 13.943 9.906 13.610 1.00 11.51 C +ANISOU 176 CD GLN A 14 2018 1794 560 -181 193 -3 C +ATOM 177 NE2 GLN A 14 12.903 9.654 14.393 1.00 13.34 N +ANISOU 177 NE2 GLN A 14 2335 2032 702 -331 296 -97 N +ATOM 178 OE1 GLN A 14 15.083 9.705 13.957 1.00 13.13 O +ANISOU 178 OE1 GLN A 14 2313 2066 609 -203 10 53 O +ATOM 179 H GLN A 14 14.496 9.001 9.958 1.00 12.07 H +ATOM 180 HA GLN A 14 13.808 11.521 9.804 1.00 12.37 H +ATOM 181 HB2 GLN A 14 15.542 10.198 11.582 1.00 12.24 H +ATOM 182 HB3 GLN A 14 15.144 11.727 11.755 1.00 12.24 H +ATOM 183 HG2 GLN A 14 13.055 11.228 12.350 1.00 12.03 H +ATOM 184 HG3 GLN A 14 13.149 9.762 11.746 1.00 12.03 H +ATOM 185 HE21 GLN A 14 12.105 9.802 14.109 1.00 16.03 H +ATOM 186 HE22 GLN A 14 13.027 9.343 15.185 1.00 16.03 H +ATOM 187 N GLU A 15 16.805 10.856 8.931 1.00 9.62 N +ANISOU 187 N GLU A 15 1934 1212 511 -218 67 -85 N +ATOM 188 CA GLU A 15 17.905 11.392 8.124 1.00 9.84 C +ANISOU 188 CA GLU A 15 1783 1441 514 -81 260 -7 C +ATOM 189 C GLU A 15 17.416 11.808 6.741 1.00 9.79 C +ANISOU 189 C GLU A 15 1711 1374 635 15 453 -14 C +ATOM 190 O GLU A 15 17.782 12.877 6.241 1.00 9.70 O +ANISOU 190 O GLU A 15 1705 1280 702 -155 259 -103 O +ATOM 191 CB GLU A 15 19.055 10.382 8.020 1.00 9.74 C +ANISOU 191 CB GLU A 15 1631 1630 440 -71 117 -34 C +ATOM 192 CG GLU A 15 20.254 11.032 7.315 1.00 12.12 C +ANISOU 192 CG GLU A 15 2028 1893 683 -140 168 -269 C +ATOM 193 CD GLU A 15 21.447 10.154 7.063 1.00 14.51 C +ANISOU 193 CD GLU A 15 2451 2210 854 -188 232 -351 C +ATOM 194 OE1 GLU A 15 21.554 9.090 7.686 1.00 15.66 O +ANISOU 194 OE1 GLU A 15 2690 2243 1016 158 -235 -224 O +ATOM 195 OE2 GLU A 15 22.294 10.545 6.234 1.00 16.49 O1- +ANISOU 195 OE2 GLU A 15 2332 2372 1560 -8 307 -367 O1- +ATOM 196 H GLU A 15 16.904 10.040 9.183 1.00 11.57 H +ATOM 197 HA GLU A 15 18.256 12.178 8.572 1.00 11.83 H +ATOM 198 HB2 GLU A 15 19.327 10.104 8.908 1.00 11.71 H +ATOM 199 HB3 GLU A 15 18.769 9.612 7.504 1.00 11.71 H +ATOM 200 HG2 GLU A 15 19.955 11.358 6.452 1.00 14.56 H +ATOM 201 HG3 GLU A 15 20.559 11.773 7.862 1.00 14.56 H +ATOM 202 N ALA A 16 16.621 10.958 6.097 1.00 9.83 N +ANISOU 202 N ALA A 16 1792 1345 599 -143 333 150 N +ATOM 203 CA ALA A 16 16.128 11.277 4.764 1.00 11.46 C +ANISOU 203 CA ALA A 16 2164 1525 666 -142 217 166 C +ATOM 204 C ALA A 16 15.343 12.584 4.754 1.00 9.99 C +ANISOU 204 C ALA A 16 1764 1547 485 -180 139 8 C +ATOM 205 O ALA A 16 15.492 13.405 3.839 1.00 10.04 O +ANISOU 205 O ALA A 16 1690 1640 483 -204 129 -14 O +ATOM 206 CB ALA A 16 15.274 10.120 4.256 1.00 11.52 C +ANISOU 206 CB ALA A 16 2184 1542 652 22 128 85 C +ATOM 207 H ALA A 16 16.356 10.200 6.406 1.00 11.82 H +ATOM 208 HA ALA A 16 16.880 11.391 4.162 1.00 13.78 H +ATOM 209 HB1 ALA A 16 14.965 10.325 3.360 1.00 13.85 H +ATOM 210 HB2 ALA A 16 15.811 9.312 4.244 1.00 13.85 H +ATOM 211 HB3 ALA A 16 14.515 10.003 4.849 1.00 13.85 H +ATOM 212 N VAL A 17 14.508 12.818 5.770 1.00 10.38 N +ANISOU 212 N VAL A 17 1869 1521 554 -93 288 77 N +ATOM 213 CA VAL A 17 13.733 14.049 5.826 1.00 10.09 C +ANISOU 213 CA VAL A 17 1733 1566 533 -31 217 -85 C +ATOM 214 C VAL A 17 14.655 15.254 5.991 1.00 9.79 C +ANISOU 214 C VAL A 17 1888 1355 478 -14 84 -5 C +ATOM 215 O VAL A 17 14.488 16.286 5.327 1.00 10.85 O +ANISOU 215 O VAL A 17 2107 1369 648 99 71 119 O +ATOM 216 CB VAL A 17 12.665 13.953 6.937 1.00 11.55 C +ANISOU 216 CB VAL A 17 1911 1678 799 182 234 83 C +ATOM 217 CG1 VAL A 17 12.022 15.296 7.209 1.00 12.23 C +ANISOU 217 CG1 VAL A 17 1871 1662 1115 68 404 222 C +ATOM 218 CG2 VAL A 17 11.612 12.937 6.569 1.00 13.16 C +ANISOU 218 CG2 VAL A 17 2140 1822 1039 177 210 457 C +ATOM 219 H VAL A 17 14.376 12.283 6.431 1.00 12.48 H +ATOM 220 HA VAL A 17 13.264 14.169 4.985 1.00 12.12 H +ATOM 221 HB VAL A 17 13.106 13.667 7.752 1.00 13.88 H +ATOM 222 HG11 VAL A 17 11.220 15.161 7.737 1.00 14.70 H +ATOM 223 HG12 VAL A 17 12.649 15.853 7.696 1.00 14.70 H +ATOM 224 HG13 VAL A 17 11.795 15.714 6.364 1.00 14.70 H +ATOM 225 HG21 VAL A 17 10.946 12.903 7.273 1.00 15.82 H +ATOM 226 HG22 VAL A 17 11.197 13.201 5.733 1.00 15.82 H +ATOM 227 HG23 VAL A 17 12.032 12.069 6.469 1.00 15.82 H +ATOM 228 N ALA A 18 15.625 15.160 6.893 1.00 10.01 N +ANISOU 228 N ALA A 18 1889 1401 514 -127 -1 175 N +ATOM 229 CA ALA A 18 16.543 16.263 7.132 1.00 9.96 C +ANISOU 229 CA ALA A 18 1926 1332 527 -57 219 36 C +ATOM 230 C ALA A 18 17.371 16.561 5.890 1.00 9.82 C +ANISOU 230 C ALA A 18 1879 1367 486 19 135 18 C +ATOM 231 O ALA A 18 17.573 17.717 5.521 1.00 10.84 O +ANISOU 231 O ALA A 18 2274 1232 612 -42 235 31 O +ATOM 232 CB ALA A 18 17.449 15.944 8.333 1.00 10.91 C +ANISOU 232 CB ALA A 18 2074 1461 612 -242 297 -1 C +ATOM 233 H ALA A 18 15.773 14.467 7.381 1.00 12.04 H +ATOM 234 HA ALA A 18 16.034 17.059 7.350 1.00 11.97 H +ATOM 235 HB1 ALA A 18 18.057 16.686 8.475 1.00 13.12 H +ATOM 236 HB2 ALA A 18 16.896 15.814 9.120 1.00 13.12 H +ATOM 237 HB3 ALA A 18 17.951 15.136 8.144 1.00 13.12 H +ATOM 238 N VAL A 19 17.873 15.517 5.235 1.00 10.13 N +ANISOU 238 N VAL A 19 1783 1457 609 -193 364 -150 N +ATOM 239 CA VAL A 19 18.662 15.709 4.022 1.00 10.05 C +ANISOU 239 CA VAL A 19 1667 1654 499 -15 272 -76 C +ATOM 240 C VAL A 19 17.827 16.363 2.925 1.00 10.42 C +ANISOU 240 C VAL A 19 1926 1506 527 -135 202 4 C +ATOM 241 O VAL A 19 18.313 17.229 2.206 1.00 11.10 O +ANISOU 241 O VAL A 19 2220 1384 615 -178 258 -10 O +ATOM 242 CB VAL A 19 19.282 14.370 3.591 1.00 11.16 C +ANISOU 242 CB VAL A 19 1881 1740 618 -48 397 -57 C +ATOM 243 CG1 VAL A 19 19.887 14.461 2.180 1.00 12.36 C +ANISOU 243 CG1 VAL A 19 2132 1626 938 -16 670 -187 C +ATOM 244 CG2 VAL A 19 20.349 13.952 4.586 1.00 11.66 C +ANISOU 244 CG2 VAL A 19 2008 1820 604 -72 336 -55 C +ATOM 245 H VAL A 19 17.773 14.696 5.469 1.00 12.18 H +ATOM 246 HA VAL A 19 19.390 16.322 4.210 1.00 12.08 H +ATOM 247 HB VAL A 19 18.581 13.699 3.570 1.00 13.41 H +ATOM 248 HG11 VAL A 19 20.459 13.692 2.031 1.00 14.85 H +ATOM 249 HG12 VAL A 19 19.169 14.470 1.528 1.00 14.85 H +ATOM 250 HG13 VAL A 19 20.406 15.277 2.111 1.00 14.85 H +ATOM 251 HG21 VAL A 19 20.695 13.082 4.332 1.00 14.02 H +ATOM 252 HG22 VAL A 19 21.064 14.608 4.577 1.00 14.02 H +ATOM 253 HG23 VAL A 19 19.955 13.905 5.471 1.00 14.02 H +ATOM 254 N PHE A 20 16.558 15.983 2.804 1.00 9.97 N +ANISOU 254 N PHE A 20 1736 1546 508 -202 173 105 N +ATOM 255 CA PHE A 20 15.692 16.617 1.809 1.00 10.80 C +ANISOU 255 CA PHE A 20 1823 1705 575 -182 306 36 C +ATOM 256 C PHE A 20 15.603 18.115 2.039 1.00 10.27 C +ANISOU 256 C PHE A 20 1831 1571 501 -99 148 125 C +ATOM 257 O PHE A 20 15.663 18.903 1.092 1.00 11.09 O +ANISOU 257 O PHE A 20 2154 1424 634 -140 309 -47 O +ATOM 258 CB PHE A 20 14.286 15.994 1.839 1.00 12.24 C +ANISOU 258 CB PHE A 20 1757 1875 1018 -405 76 227 C +ATOM 259 CG PHE A 20 13.279 16.699 0.919 1.00 14.09 C +ANISOU 259 CG PHE A 20 2184 2186 983 -484 -208 204 C +ATOM 260 CD1 PHE A 20 12.537 17.792 1.368 1.00 18.78 C +ANISOU 260 CD1 PHE A 20 2896 2575 1664 -88 -265 339 C +ATOM 261 CD2 PHE A 20 13.064 16.268 -0.376 1.00 16.98 C +ANISOU 261 CD2 PHE A 20 2321 2478 1653 -453 24 299 C +ATOM 262 CE1 PHE A 20 11.613 18.446 0.518 1.00 19.15 C +ANISOU 262 CE1 PHE A 20 2900 2629 1749 150 -231 374 C +ATOM 263 CE2 PHE A 20 12.170 16.942 -1.226 1.00 16.11 C +ANISOU 263 CE2 PHE A 20 1970 2453 1699 16 -172 454 C +ATOM 264 CZ PHE A 20 11.448 18.003 -0.758 1.00 18.33 C +ANISOU 264 CZ PHE A 20 2537 2595 1831 108 -71 359 C +ATOM 265 H PHE A 20 16.178 15.372 3.275 1.00 11.99 H +ATOM 266 HA PHE A 20 16.070 16.459 0.930 1.00 12.98 H +ATOM 267 HB2 PHE A 20 14.349 15.068 1.556 1.00 14.71 H +ATOM 268 HB3 PHE A 20 13.943 16.041 2.745 1.00 14.71 H +ATOM 269 HD1 PHE A 20 12.651 18.096 2.240 1.00 22.55 H +ATOM 270 HD2 PHE A 20 13.518 15.520 -0.690 1.00 20.40 H +ATOM 271 HE1 PHE A 20 11.123 19.172 0.829 1.00 23.01 H +ATOM 272 HE2 PHE A 20 12.070 16.665 -2.108 1.00 19.36 H +ATOM 273 HZ PHE A 20 10.838 18.427 -1.317 1.00 22.01 H +ATOM 274 N ASN A 21 15.463 18.532 3.307 1.00 10.74 N +ANISOU 274 N ASN A 21 1937 1625 517 -148 140 28 N +ATOM 275 CA ASN A 21 15.375 19.961 3.605 1.00 11.51 C +ANISOU 275 CA ASN A 21 2096 1702 577 80 240 -54 C +ATOM 276 C ASN A 21 16.668 20.687 3.259 1.00 11.70 C +ANISOU 276 C ASN A 21 2173 1704 570 -110 163 -33 C +ATOM 277 O ASN A 21 16.635 21.810 2.740 1.00 12.12 O +ANISOU 277 O ASN A 21 2049 1699 857 21 222 119 O +ATOM 278 CB ASN A 21 14.943 20.158 5.056 1.00 11.68 C +ANISOU 278 CB ASN A 21 1950 1908 579 74 199 -22 C +ATOM 279 CG ASN A 21 13.499 19.784 5.255 1.00 13.98 C +ANISOU 279 CG ASN A 21 2008 2365 939 328 31 228 C +ATOM 280 ND2 ASN A 21 13.176 19.321 6.445 1.00 14.69 N +ANISOU 280 ND2 ASN A 21 2025 2345 1212 -93 563 242 N +ATOM 281 OD1 ASN A 21 12.676 19.907 4.345 1.00 16.79 O +ANISOU 281 OD1 ASN A 21 2094 2869 1417 213 30 75 O +ATOM 282 H ASN A 21 15.418 18.017 3.994 1.00 12.90 H +ATOM 283 HA ASN A 21 14.689 20.370 3.055 1.00 13.84 H +ATOM 284 HB2 ASN A 21 15.486 19.597 5.632 1.00 14.04 H +ATOM 285 HB3 ASN A 21 15.054 21.090 5.300 1.00 14.04 H +ATOM 286 HD21 ASN A 21 12.364 19.093 6.612 1.00 17.65 H +ATOM 287 HD22 ASN A 21 13.777 19.247 7.055 1.00 17.65 H +ATOM 288 N THR A 22 17.820 20.075 3.542 1.00 11.61 N +ANISOU 288 N THR A 22 2118 1704 591 -168 189 134 N +ATOM 289 CA THR A 22 19.102 20.689 3.163 1.00 12.38 C +ANISOU 289 CA THR A 22 2278 1735 690 -218 262 215 C +ATOM 290 C THR A 22 19.267 20.748 1.643 1.00 11.62 C +ANISOU 290 C THR A 22 2128 1603 684 -262 251 243 C +ATOM 291 O THR A 22 19.723 21.764 1.097 1.00 11.59 O +ANISOU 291 O THR A 22 2165 1548 690 -188 169 316 O +ATOM 292 CB THR A 22 20.236 19.901 3.833 1.00 13.73 C +ANISOU 292 CB THR A 22 2117 2149 951 -83 116 262 C +ATOM 293 CG2 THR A 22 21.618 20.364 3.423 1.00 14.67 C +ANISOU 293 CG2 THR A 22 2262 2301 1011 -217 91 506 C +ATOM 294 OG1 THR A 22 20.126 20.054 5.255 1.00 15.40 O +ANISOU 294 OG1 THR A 22 2325 2500 1027 100 -51 461 O +ATOM 295 H THR A 22 17.890 19.318 3.945 1.00 13.96 H +ATOM 296 HA THR A 22 19.141 21.605 3.479 1.00 14.87 H +ATOM 297 HB THR A 22 20.151 18.975 3.557 1.00 16.50 H +ATOM 298 HG1 THR A 22 19.384 19.761 5.519 1.00 18.51 H +ATOM 299 HG21 THR A 22 22.289 19.935 3.977 1.00 17.63 H +ATOM 300 HG22 THR A 22 21.783 20.135 2.495 1.00 17.63 H +ATOM 301 HG23 THR A 22 21.690 21.326 3.528 1.00 17.63 H +ATOM 302 N MET A 23 18.832 19.704 0.946 1.00 11.05 N +ANISOU 302 N MET A 23 2031 1484 683 -228 71 89 N +ATOM 303 CA MET A 23 18.848 19.699 -0.516 1.00 10.41 C +ANISOU 303 CA MET A 23 1668 1560 727 -102 115 295 C +ATOM 304 C MET A 23 17.984 20.822 -1.082 1.00 11.07 C +ANISOU 304 C MET A 23 2017 1523 667 -191 50 341 C +ATOM 305 O MET A 23 18.396 21.564 -1.983 1.00 11.65 O +ANISOU 305 O MET A 23 2111 1562 754 -151 205 415 O +ATOM 306 CB MET A 23 18.380 18.328 -0.989 1.00 11.30 C +ANISOU 306 CB MET A 23 1986 1666 641 -64 122 385 C +ATOM 307 CG MET A 23 18.341 18.123 -2.510 1.00 11.90 C +ANISOU 307 CG MET A 23 2052 1774 695 127 200 401 C +ATOM 308 SD MET A 23 16.876 18.807 -3.326 1.00 12.27 S +ANISOU 308 SD MET A 23 2137 1833 693 -119 115 242 S +ATOM 309 CE MET A 23 15.581 17.823 -2.589 1.00 12.22 C +ANISOU 309 CE MET A 23 2016 1948 678 29 118 212 C +ATOM 310 H MET A 23 18.521 18.982 1.294 1.00 13.28 H +ATOM 311 HA MET A 23 19.751 19.842 -0.841 1.00 12.51 H +ATOM 312 HB2 MET A 23 18.981 17.659 -0.624 1.00 13.58 H +ATOM 313 HB3 MET A 23 17.481 18.183 -0.656 1.00 13.58 H +ATOM 314 HG2 MET A 23 19.119 18.552 -2.900 1.00 14.30 H +ATOM 315 HG3 MET A 23 18.360 17.171 -2.694 1.00 14.30 H +ATOM 316 HE1 MET A 23 14.738 18.038 -3.018 1.00 14.68 H +ATOM 317 HE2 MET A 23 15.787 16.884 -2.716 1.00 14.68 H +ATOM 318 HE3 MET A 23 15.531 18.025 -1.642 1.00 14.68 H +ATOM 319 N LYS A 24 16.776 20.974 -0.562 1.00 11.96 N +ANISOU 319 N LYS A 24 2124 1618 803 -5 184 187 N +ATOM 320 CA LYS A 24 15.858 22.003 -1.040 1.00 12.66 C +ANISOU 320 CA LYS A 24 2109 1682 1018 153 235 193 C +ATOM 321 C LYS A 24 16.450 23.403 -0.856 1.00 11.86 C +ANISOU 321 C LYS A 24 2073 1559 873 116 482 122 C +ATOM 322 O LYS A 24 16.340 24.254 -1.745 1.00 13.07 O +ANISOU 322 O LYS A 24 2246 1599 1122 312 551 308 O +ATOM 323 CB LYS A 24 14.518 21.862 -0.294 1.00 14.42 C +ANISOU 323 CB LYS A 24 2020 1920 1538 198 336 514 C +ATOM 324 CG LYS A 24 13.508 22.918 -0.674 1.00 18.82 C +ANISOU 324 CG LYS A 24 2429 2401 2320 112 672 608 C +ATOM 325 CD LYS A 24 12.155 22.713 0.023 1.00 22.41 C +ANISOU 325 CD LYS A 24 2789 2765 2962 97 857 831 C +ATOM 326 CE LYS A 24 11.188 23.841 -0.376 1.00 28.01 C +ANISOU 326 CE LYS A 24 3801 3082 3761 174 1118 751 C +ATOM 327 NZ LYS A 24 10.176 24.226 0.651 1.00 31.54 N1+ +ANISOU 327 NZ LYS A 24 4410 3268 4306 285 1188 598 N1+ +ATOM 328 H LYS A 24 16.456 20.492 0.075 1.00 14.38 H +ATOM 329 HA LYS A 24 15.695 21.883 -1.989 1.00 15.21 H +ATOM 330 HB2 LYS A 24 14.134 20.995 -0.500 1.00 17.32 H +ATOM 331 HB3 LYS A 24 14.681 21.935 0.659 1.00 17.32 H +ATOM 332 HG2 LYS A 24 13.849 23.790 -0.419 1.00 22.60 H +ATOM 333 HG3 LYS A 24 13.361 22.886 -1.632 1.00 22.60 H +ATOM 334 HD2 LYS A 24 11.772 21.864 -0.247 1.00 26.92 H +ATOM 335 HD3 LYS A 24 12.276 22.731 0.985 1.00 26.92 H +ATOM 336 HE2 LYS A 24 11.711 24.634 -0.574 1.00 33.64 H +ATOM 337 HE3 LYS A 24 10.701 23.559 -1.166 1.00 33.64 H +ATOM 338 HZ1 LYS A 24 9.647 23.534 0.831 1.00 37.87 H +ATOM 339 HZ2 LYS A 24 10.584 24.480 1.400 1.00 37.87 H +ATOM 340 HZ3 LYS A 24 9.678 24.900 0.350 1.00 37.87 H +ATOM 341 N ALA A 25 17.052 23.667 0.309 1.00 12.66 N +ANISOU 341 N ALA A 25 2303 1589 919 -168 444 -4 N +ATOM 342 CA ALA A 25 17.707 24.954 0.543 1.00 14.11 C +ANISOU 342 CA ALA A 25 2547 1695 1118 -122 356 80 C +ATOM 343 C ALA A 25 18.849 25.177 -0.446 1.00 14.16 C +ANISOU 343 C ALA A 25 2509 1656 1216 -149 258 61 C +ATOM 344 O ALA A 25 19.009 26.279 -0.981 1.00 14.56 O +ANISOU 344 O ALA A 25 2561 1536 1436 -143 291 199 O +ATOM 345 CB ALA A 25 18.220 25.007 1.981 1.00 15.56 C +ANISOU 345 CB ALA A 25 2886 1796 1230 -271 652 87 C +ATOM 346 H ALA A 25 17.094 23.122 0.973 1.00 15.21 H +ATOM 347 HA ALA A 25 17.064 25.670 0.420 1.00 16.95 H +ATOM 348 HB1 ALA A 25 18.649 25.864 2.132 1.00 18.69 H +ATOM 349 HB2 ALA A 25 17.471 24.901 2.588 1.00 18.69 H +ATOM 350 HB3 ALA A 25 18.859 24.289 2.115 1.00 18.69 H +ATOM 351 N ALA A 26 19.655 24.149 -0.707 1.00 12.75 N +ANISOU 351 N ALA A 26 2450 1561 833 -292 106 165 N +ATOM 352 CA ALA A 26 20.717 24.286 -1.697 1.00 13.04 C +ANISOU 352 CA ALA A 26 2171 1619 1164 -424 -1 224 C +ATOM 353 C ALA A 26 20.150 24.641 -3.065 1.00 13.43 C +ANISOU 353 C ALA A 26 2204 1709 1188 -70 334 145 C +ATOM 354 O ALA A 26 20.729 25.464 -3.787 1.00 14.69 O +ANISOU 354 O ALA A 26 2405 1845 1331 63 424 474 O +ATOM 355 CB ALA A 26 21.534 23.001 -1.748 1.00 15.20 C +ANISOU 355 CB ALA A 26 2398 1762 1616 -227 -28 607 C +ATOM 356 H ALA A 26 19.609 23.377 -0.332 1.00 15.32 H +ATOM 357 HA ALA A 26 21.313 25.006 -1.437 1.00 15.67 H +ATOM 358 HB1 ALA A 26 22.235 23.099 -2.411 1.00 18.26 H +ATOM 359 HB2 ALA A 26 21.925 22.840 -0.875 1.00 18.26 H +ATOM 360 HB3 ALA A 26 20.950 22.265 -1.990 1.00 18.26 H +ATOM 361 N PHE A 27 19.025 24.041 -3.446 1.00 12.78 N +ANISOU 361 N PHE A 27 2262 1613 982 286 290 261 N +ATOM 362 CA PHE A 27 18.424 24.356 -4.732 1.00 12.71 C +ANISOU 362 CA PHE A 27 2115 1739 976 329 451 265 C +ATOM 363 C PHE A 27 17.991 25.811 -4.776 1.00 14.76 C +ANISOU 363 C PHE A 27 2426 1852 1331 104 694 503 C +ATOM 364 O PHE A 27 18.265 26.525 -5.742 1.00 15.32 O +ANISOU 364 O PHE A 27 2435 1918 1467 58 544 672 O +ATOM 365 CB PHE A 27 17.247 23.413 -5.013 1.00 13.23 C +ANISOU 365 CB PHE A 27 2214 1841 971 229 196 456 C +ATOM 366 CG PHE A 27 16.560 23.714 -6.315 1.00 16.70 C +ANISOU 366 CG PHE A 27 2999 2132 1214 -36 -51 467 C +ATOM 367 CD1 PHE A 27 17.120 23.322 -7.526 1.00 18.19 C +ANISOU 367 CD1 PHE A 27 3213 2314 1383 -422 -213 488 C +ATOM 368 CD2 PHE A 27 15.376 24.436 -6.335 1.00 19.93 C +ANISOU 368 CD2 PHE A 27 3497 2244 1833 -107 -161 377 C +ATOM 369 CE1 PHE A 27 16.499 23.641 -8.731 1.00 19.86 C +ANISOU 369 CE1 PHE A 27 3444 2410 1693 -544 -282 643 C +ATOM 370 CE2 PHE A 27 14.758 24.763 -7.531 1.00 22.61 C +ANISOU 370 CE2 PHE A 27 3959 2371 2261 -230 -271 517 C +ATOM 371 CZ PHE A 27 15.327 24.368 -8.721 1.00 21.98 C +ANISOU 371 CZ PHE A 27 3969 2403 1980 -317 -486 635 C +ATOM 372 H PHE A 27 18.597 23.456 -2.983 1.00 15.36 H +ATOM 373 HA PHE A 27 19.078 24.216 -5.434 1.00 15.28 H +ATOM 374 HB2 PHE A 27 17.575 22.501 -5.050 1.00 15.89 H +ATOM 375 HB3 PHE A 27 16.594 23.502 -4.301 1.00 15.89 H +ATOM 376 HD1 PHE A 27 17.917 22.842 -7.531 1.00 21.84 H +ATOM 377 HD2 PHE A 27 14.991 24.705 -5.532 1.00 23.94 H +ATOM 378 HE1 PHE A 27 16.872 23.366 -9.537 1.00 23.86 H +ATOM 379 HE2 PHE A 27 13.964 25.246 -7.530 1.00 27.16 H +ATOM 380 HZ PHE A 27 14.917 24.593 -9.525 1.00 26.40 H +ATOM 381 N GLN A 28 17.320 26.271 -3.726 1.00 14.56 N +ANISOU 381 N GLN A 28 2228 1815 1491 337 486 874 N +ATOM 382 CA GLN A 28 16.878 27.661 -3.684 1.00 16.33 C +ANISOU 382 CA GLN A 28 2468 2026 1711 419 389 754 C +ATOM 383 C GLN A 28 18.056 28.626 -3.688 1.00 16.74 C +ANISOU 383 C GLN A 28 2659 1920 1783 165 155 714 C +ATOM 384 O GLN A 28 17.941 29.734 -4.224 1.00 19.26 O +ANISOU 384 O GLN A 28 2998 1925 2394 190 267 917 O +ATOM 385 CB GLN A 28 16.020 27.873 -2.444 1.00 18.15 C +ANISOU 385 CB GLN A 28 2587 2452 1859 514 519 637 C +ATOM 386 CG GLN A 28 14.825 26.927 -2.400 1.00 20.63 C +ANISOU 386 CG GLN A 28 2738 2961 2140 606 621 562 C +ATOM 387 CD GLN A 28 14.027 26.999 -1.114 1.00 26.03 C +ANISOU 387 CD GLN A 28 3435 3445 3012 466 888 231 C +ATOM 388 NE2 GLN A 28 12.722 26.914 -1.249 1.00 28.30 N +ANISOU 388 NE2 GLN A 28 3549 3674 3531 414 907 151 N +ATOM 389 OE1 GLN A 28 14.580 27.109 -0.016 1.00 27.61 O +ANISOU 389 OE1 GLN A 28 3951 3562 2979 430 1322 249 O +ATOM 390 H GLN A 28 17.110 25.807 -3.033 1.00 17.50 H +ATOM 391 HA GLN A 28 16.341 27.853 -4.469 1.00 19.62 H +ATOM 392 HB2 GLN A 28 16.560 27.716 -1.654 1.00 21.80 H +ATOM 393 HB3 GLN A 28 15.685 28.783 -2.441 1.00 21.80 H +ATOM 394 HG2 GLN A 28 14.226 27.148 -3.131 1.00 24.78 H +ATOM 395 HG3 GLN A 28 15.145 26.017 -2.497 1.00 24.78 H +ATOM 396 HE21 GLN A 28 12.376 26.824 -2.031 1.00 33.99 H +ATOM 397 HE22 GLN A 28 12.215 26.949 -0.555 1.00 33.99 H +ATOM 398 N ASN A 29 19.204 28.222 -3.176 1.00 17.11 N +ANISOU 398 N ASN A 29 2725 2023 1754 -100 617 623 N +ATOM 399 CA ASN A 29 20.381 29.077 -3.119 1.00 17.49 C +ANISOU 399 CA ASN A 29 2794 2088 1763 -11 133 637 C +ATOM 400 C ASN A 29 21.275 28.921 -4.344 1.00 17.85 C +ANISOU 400 C ASN A 29 2683 1976 2122 285 151 536 C +ATOM 401 O ASN A 29 22.347 29.531 -4.401 1.00 19.02 O +ANISOU 401 O ASN A 29 2875 2005 2348 223 177 241 O +ATOM 402 CB ASN A 29 21.196 28.794 -1.859 1.00 20.12 C +ANISOU 402 CB ASN A 29 3134 2550 1960 -398 154 237 C +ATOM 403 CG ASN A 29 20.467 29.168 -0.584 1.00 24.68 C +ANISOU 403 CG ASN A 29 4211 2872 2294 -489 301 105 C +ATOM 404 ND2 ASN A 29 20.719 28.401 0.481 1.00 26.87 N +ANISOU 404 ND2 ASN A 29 4756 2970 2483 -614 456 31 N +ATOM 405 OD1 ASN A 29 19.707 30.136 -0.543 1.00 27.60 O +ANISOU 405 OD1 ASN A 29 4634 3309 2545 -411 337 -193 O +ATOM 406 H ASN A 29 19.333 27.438 -2.846 1.00 20.56 H +ATOM 407 HA ASN A 29 20.085 29.999 -3.071 1.00 21.01 H +ATOM 408 HB2 ASN A 29 21.398 27.846 -1.821 1.00 24.17 H +ATOM 409 HB3 ASN A 29 22.019 29.307 -1.894 1.00 24.17 H +ATOM 410 HD21 ASN A 29 20.333 28.567 1.231 1.00 32.26 H +ATOM 411 HD22 ASN A 29 21.267 27.741 0.416 1.00 32.26 H +ATOM 412 N GLY A 30 20.881 28.117 -5.297 1.00 16.44 N +ANISOU 412 N GLY A 30 2500 1936 1810 182 582 387 N +ATOM 413 CA GLY A 30 21.626 27.925 -6.513 1.00 16.75 C +ANISOU 413 CA GLY A 30 2502 2016 1848 213 567 445 C +ATOM 414 C GLY A 30 22.880 27.068 -6.449 1.00 14.94 C +ANISOU 414 C GLY A 30 2267 1947 1462 227 797 475 C +ATOM 415 O GLY A 30 23.690 27.133 -7.287 1.00 17.14 O +ANISOU 415 O GLY A 30 2904 2191 1416 57 774 653 O +ATOM 416 H GLY A 30 20.158 27.652 -5.265 1.00 19.75 H +ATOM 417 HA2 GLY A 30 21.035 27.514 -7.164 1.00 20.13 H +ATOM 418 HA3 GLY A 30 21.896 28.798 -6.839 1.00 20.13 H +ATOM 419 N ASP A 31 23.037 26.304 -5.382 1.00 14.35 N +ANISOU 419 N ASP A 31 2279 1769 1403 179 299 365 N +ATOM 420 CA ASP A 31 24.203 25.448 -5.194 1.00 13.62 C +ANISOU 420 CA ASP A 31 2212 1746 1217 -72 361 228 C +ATOM 421 C ASP A 31 23.936 24.080 -5.793 1.00 12.17 C +ANISOU 421 C ASP A 31 1963 1759 901 -76 640 187 C +ATOM 422 O ASP A 31 23.642 23.165 -5.109 1.00 12.58 O +ANISOU 422 O ASP A 31 2030 1692 1056 -79 348 313 O +ATOM 423 CB ASP A 31 24.598 25.403 -3.725 1.00 14.73 C +ANISOU 423 CB ASP A 31 2567 1770 1259 -162 507 128 C +ATOM 424 CG ASP A 31 25.935 24.743 -3.498 1.00 14.06 C +ANISOU 424 CG ASP A 31 2395 1944 1004 -202 235 -23 C +ATOM 425 OD1 ASP A 31 26.467 24.124 -4.394 1.00 14.81 O +ANISOU 425 OD1 ASP A 31 2181 2002 1445 -290 188 169 O +ATOM 426 OD2 ASP A 31 26.413 24.820 -2.385 1.00 16.84 O1- +ANISOU 426 OD2 ASP A 31 2985 1977 1437 -404 -82 -43 O1- +ATOM 427 H ASP A 31 22.471 26.260 -4.736 1.00 17.24 H +ATOM 428 HA ASP A 31 24.951 25.819 -5.688 1.00 16.37 H +ATOM 429 HB2 ASP A 31 24.650 26.310 -3.384 1.00 17.70 H +ATOM 430 HB3 ASP A 31 23.929 24.901 -3.233 1.00 17.70 H +ATOM 431 N LYS A 32 24.141 23.904 -6.983 1.00 12.77 N +ANISOU 431 N LYS A 32 1973 1774 1105 -280 478 350 N +ATOM 432 CA LYS A 32 23.804 22.727 -7.714 1.00 12.73 C +ANISOU 432 CA LYS A 32 1897 1850 1091 -411 189 222 C +ATOM 433 C LYS A 32 24.709 21.555 -7.450 1.00 11.14 C +ANISOU 433 C LYS A 32 1668 1762 802 -314 92 31 C +ATOM 434 O LYS A 32 24.284 20.464 -7.511 1.00 11.18 O +ANISOU 434 O LYS A 32 1867 1534 845 -506 132 156 O +ATOM 435 CB LYS A 32 23.697 23.041 -9.196 1.00 18.79 C +ANISOU 435 CB LYS A 32 2907 2054 2177 -133 167 649 C +ATOM 436 CG LYS A 32 22.574 23.978 -9.524 1.00 25.39 C +ANISOU 436 CG LYS A 32 4331 2347 2968 27 327 1038 C +ATOM 437 CD LYS A 32 22.555 24.223 -11.005 1.00 32.77 C +ANISOU 437 CD LYS A 32 5523 2575 4353 145 1043 1197 C +ATOM 438 CE LYS A 32 21.484 25.185 -11.351 1.00 38.86 C +ANISOU 438 CE LYS A 32 6439 2910 5417 39 1461 1214 C +ATOM 439 NZ LYS A 32 20.121 24.686 -11.032 1.00 41.71 N1+ +ANISOU 439 NZ LYS A 32 6973 3013 5863 -85 1798 1299 N1+ +ATOM 440 H LYS A 32 24.475 24.542 -7.454 1.00 15.35 H +ATOM 441 HA LYS A 32 22.927 22.434 -7.422 1.00 15.30 H +ATOM 442 HB2 LYS A 32 24.524 23.452 -9.491 1.00 22.57 H +ATOM 443 HB3 LYS A 32 23.546 22.214 -9.682 1.00 22.57 H +ATOM 444 HG2 LYS A 32 21.727 23.586 -9.259 1.00 30.49 H +ATOM 445 HG3 LYS A 32 22.705 24.823 -9.068 1.00 30.49 H +ATOM 446 HD2 LYS A 32 23.407 24.593 -11.286 1.00 39.34 H +ATOM 447 HD3 LYS A 32 22.385 23.389 -11.471 1.00 39.34 H +ATOM 448 HE2 LYS A 32 21.624 26.005 -10.852 1.00 46.66 H +ATOM 449 HE3 LYS A 32 21.518 25.365 -12.303 1.00 46.66 H +ATOM 450 HZ1 LYS A 32 19.513 25.297 -11.255 1.00 50.08 H +ATOM 451 HZ2 LYS A 32 19.957 23.936 -11.483 1.00 50.08 H +ATOM 452 HZ3 LYS A 32 20.054 24.518 -10.160 1.00 50.08 H +ATOM 453 N GLU A 33 25.955 21.911 -7.048 1.00 11.33 N +ANISOU 453 N GLU A 33 1684 1829 793 -342 214 91 N +ATOM 454 CA GLU A 33 26.894 20.874 -6.645 1.00 12.02 C +ANISOU 454 CA GLU A 33 1747 1834 986 -268 252 27 C +ATOM 455 C GLU A 33 26.339 20.181 -5.404 1.00 11.70 C +ANISOU 455 C GLU A 33 1821 1659 967 -197 349 -47 C +ATOM 456 O GLU A 33 26.312 18.952 -5.324 1.00 11.38 O +ANISOU 456 O GLU A 33 1713 1697 913 -89 425 -91 O +ATOM 457 CB GLU A 33 28.267 21.475 -6.347 1.00 12.52 C +ANISOU 457 CB GLU A 33 1517 2030 1210 -79 109 540 C +ATOM 458 CG GLU A 33 29.118 21.718 -7.582 1.00 15.47 C +ANISOU 458 CG GLU A 33 2239 2076 1563 -268 246 453 C +ATOM 459 CD GLU A 33 30.569 22.000 -7.244 1.00 16.65 C +ANISOU 459 CD GLU A 33 2052 2410 1866 -348 498 171 C +ATOM 460 OE1 GLU A 33 31.290 22.537 -8.112 1.00 19.21 O +ANISOU 460 OE1 GLU A 33 2812 2430 2058 270 740 -40 O +ATOM 461 OE2 GLU A 33 30.989 21.684 -6.111 1.00 18.72 O1- +ANISOU 461 OE2 GLU A 33 2469 2908 1735 -62 -601 303 O1- +ATOM 462 H GLU A 33 26.271 22.709 -7.001 1.00 13.62 H +ATOM 463 HA GLU A 33 27.014 20.235 -7.365 1.00 14.45 H +ATOM 464 HB2 GLU A 33 28.143 22.328 -5.902 1.00 15.05 H +ATOM 465 HB3 GLU A 33 28.753 20.867 -5.769 1.00 15.05 H +ATOM 466 HG2 GLU A 33 29.089 20.930 -8.147 1.00 18.59 H +ATOM 467 HG3 GLU A 33 28.767 22.484 -8.063 1.00 18.59 H +ATOM 468 N ALA A 34 25.900 20.982 -4.436 1.00 10.53 N +ANISOU 468 N ALA A 34 1922 1471 607 -293 293 73 N +ATOM 469 CA ALA A 34 25.322 20.462 -3.210 1.00 10.65 C +ANISOU 469 CA ALA A 34 1972 1559 516 -192 43 48 C +ATOM 470 C ALA A 34 24.019 19.735 -3.486 1.00 11.35 C +ANISOU 470 C ALA A 34 1985 1541 788 -138 245 -77 C +ATOM 471 O ALA A 34 23.788 18.649 -2.944 1.00 11.63 O +ANISOU 471 O ALA A 34 2117 1633 670 -130 283 -30 O +ATOM 472 CB ALA A 34 25.098 21.607 -2.224 1.00 11.43 C +ANISOU 472 CB ALA A 34 1948 1707 688 -338 338 -261 C +ATOM 473 H ALA A 34 25.927 21.841 -4.468 1.00 12.66 H +ATOM 474 HA ALA A 34 25.939 19.830 -2.809 1.00 12.80 H +ATOM 475 HB1 ALA A 34 24.691 21.254 -1.417 1.00 13.74 H +ATOM 476 HB2 ALA A 34 25.953 22.014 -2.013 1.00 13.74 H +ATOM 477 HB3 ALA A 34 24.511 22.264 -2.631 1.00 13.74 H +ATOM 478 N VAL A 35 23.154 20.292 -4.343 1.00 11.06 N +ANISOU 478 N VAL A 35 1921 1466 815 -266 159 -67 N +ATOM 479 CA VAL A 35 21.921 19.579 -4.686 1.00 10.70 C +ANISOU 479 CA VAL A 35 1832 1443 792 5 375 -76 C +ATOM 480 C VAL A 35 22.235 18.181 -5.194 1.00 10.19 C +ANISOU 480 C VAL A 35 1833 1379 659 44 461 -15 C +ATOM 481 O VAL A 35 21.666 17.194 -4.735 1.00 11.01 O +ANISOU 481 O VAL A 35 1796 1539 850 -16 364 156 O +ATOM 482 CB VAL A 35 21.090 20.374 -5.708 1.00 10.91 C +ANISOU 482 CB VAL A 35 1810 1405 932 -82 282 180 C +ATOM 483 CG1 VAL A 35 19.923 19.493 -6.209 1.00 10.92 C +ANISOU 483 CG1 VAL A 35 1820 1479 849 -194 378 259 C +ATOM 484 CG2 VAL A 35 20.597 21.689 -5.110 1.00 12.10 C +ANISOU 484 CG2 VAL A 35 1867 1453 1278 -15 511 110 C +ATOM 485 H VAL A 35 23.255 21.055 -4.726 1.00 13.29 H +ATOM 486 HA VAL A 35 21.392 19.493 -3.878 1.00 12.87 H +ATOM 487 HB VAL A 35 21.642 20.611 -6.469 1.00 13.12 H +ATOM 488 HG11 VAL A 35 19.257 20.060 -6.629 1.00 13.12 H +ATOM 489 HG12 VAL A 35 20.265 18.852 -6.852 1.00 13.12 H +ATOM 490 HG13 VAL A 35 19.532 19.027 -5.453 1.00 13.12 H +ATOM 491 HG21 VAL A 35 20.092 22.172 -5.783 1.00 14.55 H +ATOM 492 HG22 VAL A 35 20.031 21.496 -4.346 1.00 14.55 H +ATOM 493 HG23 VAL A 35 21.362 22.215 -4.830 1.00 14.55 H +ATOM 494 N ALA A 36 23.220 18.073 -6.103 1.00 9.79 N +ANISOU 494 N ALA A 36 1740 1422 556 -121 274 -200 N +ATOM 495 CA ALA A 36 23.566 16.781 -6.695 1.00 9.27 C +ANISOU 495 CA ALA A 36 1650 1387 487 -88 183 54 C +ATOM 496 C ALA A 36 24.021 15.790 -5.627 1.00 9.74 C +ANISOU 496 C ALA A 36 1453 1515 734 -40 215 152 C +ATOM 497 O ALA A 36 23.578 14.637 -5.606 1.00 10.18 O +ANISOU 497 O ALA A 36 1700 1509 660 -66 329 104 O +ATOM 498 CB ALA A 36 24.642 16.985 -7.768 1.00 10.60 C +ANISOU 498 CB ALA A 36 1803 1503 723 -82 515 93 C +ATOM 499 H ALA A 36 23.696 18.730 -6.388 1.00 11.76 H +ATOM 500 HA ALA A 36 22.783 16.401 -7.124 1.00 11.15 H +ATOM 501 HB1 ALA A 36 24.859 16.127 -8.165 1.00 12.75 H +ATOM 502 HB2 ALA A 36 24.300 17.587 -8.448 1.00 12.75 H +ATOM 503 HB3 ALA A 36 25.432 17.367 -7.355 1.00 12.75 H +ATOM 504 N GLN A 37 24.913 16.234 -4.743 1.00 9.67 N +ANISOU 504 N GLN A 37 1661 1432 581 -106 251 75 N +ATOM 505 CA GLN A 37 25.381 15.369 -3.670 1.00 10.47 C +ANISOU 505 CA GLN A 37 1850 1353 775 -97 300 9 C +ATOM 506 C GLN A 37 24.230 14.895 -2.789 1.00 9.39 C +ANISOU 506 C GLN A 37 1721 1358 490 -19 171 167 C +ATOM 507 O GLN A 37 24.128 13.713 -2.479 1.00 10.21 O +ANISOU 507 O GLN A 37 1778 1454 647 -135 136 143 O +ATOM 508 CB GLN A 37 26.374 16.149 -2.818 1.00 13.90 C +ANISOU 508 CB GLN A 37 2358 1622 1301 -180 122 86 C +ATOM 509 CG GLN A 37 26.722 15.452 -1.568 1.00 19.69 C +ANISOU 509 CG GLN A 37 3579 2003 1900 -576 -385 292 C +ATOM 510 CD GLN A 37 27.851 16.079 -0.793 1.00 24.86 C +ANISOU 510 CD GLN A 37 4829 2467 2151 -973 -606 701 C +ATOM 511 NE2 GLN A 37 28.364 15.326 0.159 1.00 27.65 N +ANISOU 511 NE2 GLN A 37 5417 2837 2250 -1283 -611 892 N +ATOM 512 OE1 GLN A 37 28.294 17.192 -1.071 1.00 26.47 O +ANISOU 512 OE1 GLN A 37 5299 2700 2058 -1042 -1176 591 O +ATOM 513 H GLN A 37 25.257 17.022 -4.744 1.00 11.63 H +ATOM 514 HA GLN A 37 25.809 14.589 -4.058 1.00 12.59 H +ATOM 515 HB2 GLN A 37 27.190 16.281 -3.326 1.00 16.70 H +ATOM 516 HB3 GLN A 37 25.985 17.007 -2.586 1.00 16.70 H +ATOM 517 HG2 GLN A 37 25.942 15.443 -0.992 1.00 23.65 H +ATOM 518 HG3 GLN A 37 26.985 14.544 -1.784 1.00 23.65 H +ATOM 519 HE21 GLN A 37 28.051 14.537 0.299 1.00 33.20 H +ATOM 520 HE22 GLN A 37 29.012 15.623 0.640 1.00 33.20 H +ATOM 521 N TYR A 38 23.324 15.784 -2.397 1.00 9.44 N +ANISOU 521 N TYR A 38 1790 1314 481 52 159 87 N +ATOM 522 CA TYR A 38 22.264 15.396 -1.488 1.00 10.06 C +ANISOU 522 CA TYR A 38 1792 1485 545 -127 288 79 C +ATOM 523 C TYR A 38 21.216 14.540 -2.184 1.00 9.26 C +ANISOU 523 C TYR A 38 1559 1482 479 -28 260 126 C +ATOM 524 O TYR A 38 20.611 13.684 -1.538 1.00 9.34 O +ANISOU 524 O TYR A 38 1606 1448 494 -100 261 95 O +ATOM 525 CB TYR A 38 21.708 16.643 -0.774 1.00 11.66 C +ANISOU 525 CB TYR A 38 2033 1826 572 -232 150 82 C +ATOM 526 CG TYR A 38 22.692 17.200 0.226 1.00 13.21 C +ANISOU 526 CG TYR A 38 2194 2092 732 -470 301 43 C +ATOM 527 CD1 TYR A 38 23.206 16.410 1.256 1.00 13.89 C +ANISOU 527 CD1 TYR A 38 2190 2304 783 -667 232 -197 C +ATOM 528 CD2 TYR A 38 23.155 18.499 0.132 1.00 16.04 C +ANISOU 528 CD2 TYR A 38 2881 2261 953 -653 467 -118 C +ATOM 529 CE1 TYR A 38 24.145 16.904 2.181 1.00 16.39 C +ANISOU 529 CE1 TYR A 38 2502 2624 1102 -808 -28 -227 C +ATOM 530 CE2 TYR A 38 24.100 19.006 1.046 1.00 16.91 C +ANISOU 530 CE2 TYR A 38 2964 2489 973 -731 415 -125 C +ATOM 531 CZ TYR A 38 24.598 18.196 2.052 1.00 17.32 C +ANISOU 531 CZ TYR A 38 2938 2661 981 -870 143 -301 C +ATOM 532 OH TYR A 38 25.543 18.715 2.942 1.00 18.32 O +ANISOU 532 OH TYR A 38 2879 2995 1086 -1161 237 -300 O +ATOM 533 H TYR A 38 23.304 16.608 -2.642 1.00 11.34 H +ATOM 534 HA TYR A 38 22.609 14.834 -0.777 1.00 12.09 H +ATOM 535 HB2 TYR A 38 21.520 17.331 -1.432 1.00 14.02 H +ATOM 536 HB3 TYR A 38 20.895 16.405 -0.301 1.00 14.02 H +ATOM 537 HD1 TYR A 38 22.919 15.529 1.333 1.00 16.69 H +ATOM 538 HD2 TYR A 38 22.837 19.049 -0.547 1.00 19.27 H +ATOM 539 HE1 TYR A 38 24.455 16.363 2.871 1.00 19.69 H +ATOM 540 HE2 TYR A 38 24.390 19.887 0.973 1.00 20.32 H +ATOM 541 HH TYR A 38 25.756 18.131 3.507 1.00 22.01 H +ATOM 542 N LEU A 39 20.978 14.727 -3.490 1.00 10.04 N +ANISOU 542 N LEU A 39 1667 1566 582 -152 203 104 N +ATOM 543 CA LEU A 39 20.117 13.802 -4.224 1.00 9.08 C +ANISOU 543 CA LEU A 39 1516 1498 437 -119 156 71 C +ATOM 544 C LEU A 39 20.698 12.395 -4.205 1.00 9.17 C +ANISOU 544 C LEU A 39 1484 1567 435 9 128 158 C +ATOM 545 O LEU A 39 19.965 11.422 -4.006 1.00 9.42 O +ANISOU 545 O LEU A 39 1581 1369 629 -211 65 175 O +ATOM 546 CB LEU A 39 19.890 14.286 -5.651 1.00 10.50 C +ANISOU 546 CB LEU A 39 1735 1576 678 -257 250 100 C +ATOM 547 CG LEU A 39 19.049 15.548 -5.796 1.00 11.34 C +ANISOU 547 CG LEU A 39 1880 1713 714 -119 350 195 C +ATOM 548 CD1 LEU A 39 19.061 15.996 -7.239 1.00 12.17 C +ANISOU 548 CD1 LEU A 39 2076 1664 883 -67 384 204 C +ATOM 549 CD2 LEU A 39 17.603 15.367 -5.319 1.00 11.70 C +ANISOU 549 CD2 LEU A 39 1690 1848 906 -161 353 429 C +ATOM 550 H LEU A 39 21.298 15.370 -3.962 1.00 12.07 H +ATOM 551 HA LEU A 39 19.247 13.777 -3.795 1.00 10.92 H +ATOM 552 HB2 LEU A 39 20.755 14.468 -6.051 1.00 12.62 H +ATOM 553 HB3 LEU A 39 19.439 13.581 -6.142 1.00 12.62 H +ATOM 554 HG LEU A 39 19.440 16.230 -5.228 1.00 13.63 H +ATOM 555 HD11 LEU A 39 18.513 16.792 -7.327 1.00 14.62 H +ATOM 556 HD12 LEU A 39 19.974 16.192 -7.501 1.00 14.62 H +ATOM 557 HD13 LEU A 39 18.703 15.285 -7.793 1.00 14.62 H +ATOM 558 HD21 LEU A 39 17.113 16.189 -5.476 1.00 14.06 H +ATOM 559 HD22 LEU A 39 17.196 14.640 -5.815 1.00 14.06 H +ATOM 560 HD23 LEU A 39 17.607 15.160 -4.371 1.00 14.06 H +ATOM 561 N ALA A 40 22.000 12.267 -4.428 1.00 10.62 N +ANISOU 561 N ALA A 40 1591 1750 696 -11 116 245 N +ATOM 562 CA ALA A 40 22.603 10.948 -4.361 1.00 10.36 C +ANISOU 562 CA ALA A 40 1744 1503 690 118 280 154 C +ATOM 563 C ALA A 40 22.467 10.364 -2.949 1.00 9.34 C +ANISOU 563 C ALA A 40 1642 1329 578 -100 75 -49 C +ATOM 564 O ALA A 40 22.180 9.161 -2.782 1.00 10.26 O +ANISOU 564 O ALA A 40 1698 1417 784 -252 233 -23 O +ATOM 565 CB ALA A 40 24.071 11.057 -4.759 1.00 11.48 C +ANISOU 565 CB ALA A 40 1812 1570 979 -10 503 -158 C +ATOM 566 H ALA A 40 22.540 12.910 -4.615 1.00 12.77 H +ATOM 567 HA ALA A 40 22.158 10.347 -4.979 1.00 12.46 H +ATOM 568 HB1 ALA A 40 24.480 10.179 -4.701 1.00 13.79 H +ATOM 569 HB2 ALA A 40 24.128 11.389 -5.669 1.00 13.79 H +ATOM 570 HB3 ALA A 40 24.517 11.670 -4.155 1.00 13.79 H +ATOM 571 N ARG A 41 22.667 11.196 -1.923 1.00 9.34 N +ANISOU 571 N ARG A 41 1610 1414 526 -207 289 -2 N +ATOM 572 CA ARG A 41 22.488 10.688 -0.562 1.00 9.72 C +ANISOU 572 CA ARG A 41 1674 1560 459 -140 99 88 C +ATOM 573 C ARG A 41 21.064 10.194 -0.332 1.00 9.50 C +ANISOU 573 C ARG A 41 1609 1505 495 -328 131 44 C +ATOM 574 O ARG A 41 20.862 9.141 0.279 1.00 10.39 O +ANISOU 574 O ARG A 41 1579 1727 643 -213 164 -16 O +ATOM 575 CB ARG A 41 22.841 11.795 0.435 1.00 10.00 C +ANISOU 575 CB ARG A 41 1603 1719 477 -217 -68 -33 C +ATOM 576 CG ARG A 41 22.819 11.295 1.883 1.00 11.94 C +ANISOU 576 CG ARG A 41 1992 1892 651 -270 -21 -23 C +ATOM 577 CD ARG A 41 23.324 12.305 2.886 1.00 13.43 C +ANISOU 577 CD ARG A 41 2158 2114 830 -297 230 -107 C +ATOM 578 NE ARG A 41 24.701 12.651 2.642 1.00 14.30 N +ANISOU 578 NE ARG A 41 2126 2316 993 -207 269 -330 N +ATOM 579 CZ ARG A 41 25.367 13.570 3.326 1.00 15.54 C +ANISOU 579 CZ ARG A 41 2195 2590 1118 -386 30 -630 C +ATOM 580 NH1 ARG A 41 24.760 14.207 4.320 1.00 16.06 N1+ +ANISOU 580 NH1 ARG A 41 2542 2537 1023 -264 238 -675 N1+ +ATOM 581 NH2 ARG A 41 26.613 13.865 2.996 1.00 17.53 N +ANISOU 581 NH2 ARG A 41 2076 2858 1727 -530 246 -712 N +ATOM 582 H ARG A 41 22.897 12.022 -1.985 1.00 11.23 H +ATOM 583 HA ARG A 41 23.084 9.936 -0.420 1.00 11.69 H +ATOM 584 HB2 ARG A 41 23.732 12.125 0.242 1.00 12.02 H +ATOM 585 HB3 ARG A 41 22.196 12.515 0.353 1.00 12.02 H +ATOM 586 HG2 ARG A 41 21.906 11.073 2.123 1.00 14.35 H +ATOM 587 HG3 ARG A 41 23.381 10.507 1.950 1.00 14.35 H +ATOM 588 HD2 ARG A 41 22.791 13.113 2.824 1.00 16.13 H +ATOM 589 HD3 ARG A 41 23.257 11.932 3.779 1.00 16.13 H +ATOM 590 HE ARG A 41 25.116 12.236 2.014 1.00 17.19 H +ATOM 591 HH11 ARG A 41 23.943 14.022 4.514 1.00 19.29 H +ATOM 592 HH12 ARG A 41 25.184 14.805 4.770 1.00 19.29 H +ATOM 593 HH21 ARG A 41 26.991 13.461 2.338 1.00 21.06 H +ATOM 594 HH22 ARG A 41 27.046 14.461 3.440 1.00 21.06 H +ATOM 595 N LEU A 42 20.073 10.953 -0.786 1.00 9.85 N +ANISOU 595 N LEU A 42 1691 1529 522 -228 240 33 N +ATOM 596 CA LEU A 42 18.686 10.527 -0.631 1.00 9.39 C +ANISOU 596 CA LEU A 42 1607 1503 459 -159 134 96 C +ATOM 597 C LEU A 42 18.426 9.193 -1.326 1.00 9.12 C +ANISOU 597 C LEU A 42 1418 1527 520 -96 325 116 C +ATOM 598 O LEU A 42 17.729 8.326 -0.778 1.00 9.98 O +ANISOU 598 O LEU A 42 1626 1564 601 -197 327 194 O +ATOM 599 CB LEU A 42 17.752 11.587 -1.189 1.00 9.78 C +ANISOU 599 CB LEU A 42 1706 1416 594 -180 307 -14 C +ATOM 600 CG LEU A 42 17.645 12.863 -0.366 1.00 10.53 C +ANISOU 600 CG LEU A 42 1816 1571 614 2 380 -158 C +ATOM 601 CD1 LEU A 42 16.831 13.885 -1.155 1.00 13.38 C +ANISOU 601 CD1 LEU A 42 2672 1693 718 173 242 93 C +ATOM 602 CD2 LEU A 42 16.988 12.624 0.977 1.00 10.73 C +ANISOU 602 CD2 LEU A 42 1931 1501 646 27 391 -159 C +ATOM 603 H LEU A 42 20.174 11.709 -1.183 1.00 11.84 H +ATOM 604 HA LEU A 42 18.505 10.417 0.316 1.00 11.29 H +ATOM 605 HB2 LEU A 42 18.068 11.837 -2.071 1.00 11.76 H +ATOM 606 HB3 LEU A 42 16.862 11.207 -1.251 1.00 11.76 H +ATOM 607 HG LEU A 42 18.539 13.197 -0.190 1.00 12.66 H +ATOM 608 HD11 LEU A 42 16.773 14.706 -0.642 1.00 16.07 H +ATOM 609 HD12 LEU A 42 17.273 14.054 -2.002 1.00 16.07 H +ATOM 610 HD13 LEU A 42 15.942 13.529 -1.311 1.00 16.07 H +ATOM 611 HD21 LEU A 42 16.852 13.477 1.418 1.00 12.90 H +ATOM 612 HD22 LEU A 42 16.135 12.184 0.837 1.00 12.90 H +ATOM 613 HD23 LEU A 42 17.566 12.061 1.516 1.00 12.90 H +ATOM 614 N ALA A 43 18.953 9.008 -2.542 1.00 9.36 N +ANISOU 614 N ALA A 43 1554 1439 565 -148 373 -63 N +ATOM 615 CA ALA A 43 18.720 7.765 -3.263 1.00 10.02 C +ANISOU 615 CA ALA A 43 1683 1443 683 -160 262 -95 C +ATOM 616 C ALA A 43 19.178 6.583 -2.423 1.00 10.66 C +ANISOU 616 C ALA A 43 1947 1333 771 -226 143 -26 C +ATOM 617 O ALA A 43 18.503 5.553 -2.359 1.00 11.67 O +ANISOU 617 O ALA A 43 2112 1161 1161 -310 111 -13 O +ATOM 618 CB ALA A 43 19.470 7.780 -4.598 1.00 10.90 C +ANISOU 618 CB ALA A 43 1855 1475 813 -53 88 -315 C +ATOM 619 H ALA A 43 19.440 9.580 -2.960 1.00 11.26 H +ATOM 620 HA ALA A 43 17.773 7.676 -3.453 1.00 12.05 H +ATOM 621 HB1 ALA A 43 19.292 6.951 -5.070 1.00 13.11 H +ATOM 622 HB2 ALA A 43 19.161 8.533 -5.125 1.00 13.11 H +ATOM 623 HB3 ALA A 43 20.421 7.865 -4.425 1.00 13.11 H +ATOM 624 N SER A 44 20.346 6.692 -1.810 1.00 9.59 N +ANISOU 624 N SER A 44 1673 1391 581 -250 211 -7 N +ATOM 625 CA ASER A 44 20.865 5.597 -0.995 0.75 10.07 C +ANISOU 625 CA ASER A 44 1592 1509 726 -20 170 35 C +ATOM 626 CA BSER A 44 20.965 5.597 -0.995 0.25 10.02 C +ANISOU 626 CA BSER A 44 1736 1450 623 -138 282 74 C +ATOM 627 C SER A 44 20.037 5.389 0.273 1.00 9.99 C +ANISOU 627 C SER A 44 1861 1383 551 -168 235 85 C +ATOM 628 O SER A 44 19.776 4.242 0.679 1.00 11.83 O +ANISOU 628 O SER A 44 2159 1434 901 -64 415 260 O +ATOM 629 CB ASER A 44 22.316 5.864 -0.664 0.75 12.54 C +ANISOU 629 CB ASER A 44 1684 2022 1057 219 167 453 C +ATOM 630 CB BSER A 44 22.416 5.864 -0.664 0.25 11.17 C +ANISOU 630 CB BSER A 44 1734 1679 832 50 462 316 C +ATOM 631 OG ASER A 44 22.864 4.868 0.176 0.75 16.47 O +ANISOU 631 OG ASER A 44 2223 2312 1722 48 58 603 O +ATOM 632 OG BSER A 44 23.232 5.883 -1.818 0.25 12.80 O +ANISOU 632 OG BSER A 44 1833 1805 1225 68 350 450 O +ATOM 633 H SER A 44 20.859 7.381 -1.845 1.00 11.53 H +ATOM 634 HA SER A 44 20.815 4.772 -1.503 1.00 12.05 H +ATOM 635 HB2ASER A 44 22.824 5.887 -1.490 0.75 15.07 H +ATOM 636 HB2BSER A 44 22.480 6.726 -0.224 0.25 13.43 H +ATOM 637 HB3ASER A 44 22.379 6.720 -0.212 0.75 15.07 H +ATOM 638 HB3BSER A 44 22.733 5.165 -0.071 0.25 13.43 H +ATOM 639 HG ASER A 44 22.829 4.120 -0.205 0.75 19.78 H +ATOM 640 HG BSER A 44 22.979 6.492 -2.339 0.25 15.38 H +ATOM 641 N LEU A 45 19.614 6.481 0.925 1.00 9.60 N +ANISOU 641 N LEU A 45 1778 1314 557 -146 308 -118 N +ATOM 642 CA LEU A 45 18.777 6.371 2.121 1.00 9.92 C +ANISOU 642 CA LEU A 45 1794 1435 541 -176 213 -187 C +ATOM 643 C LEU A 45 17.448 5.707 1.806 1.00 10.27 C +ANISOU 643 C LEU A 45 1969 1368 565 -251 230 -93 C +ATOM 644 O LEU A 45 16.962 4.893 2.586 1.00 10.90 O +ANISOU 644 O LEU A 45 2097 1422 621 -129 320 69 O +ATOM 645 CB LEU A 45 18.551 7.741 2.754 1.00 10.90 C +ANISOU 645 CB LEU A 45 2048 1481 613 -169 296 -132 C +ATOM 646 CG LEU A 45 19.762 8.365 3.432 1.00 10.72 C +ANISOU 646 CG LEU A 45 1996 1499 577 -235 218 -138 C +ATOM 647 CD1 LEU A 45 19.503 9.863 3.688 1.00 11.90 C +ANISOU 647 CD1 LEU A 45 2000 1759 762 32 469 -195 C +ATOM 648 CD2 LEU A 45 20.109 7.621 4.715 1.00 11.66 C +ANISOU 648 CD2 LEU A 45 2182 1517 732 84 59 88 C +ATOM 649 H LEU A 45 19.797 7.289 0.696 1.00 11.55 H +ATOM 650 HA LEU A 45 19.247 5.822 2.769 1.00 11.93 H +ATOM 651 HB2 LEU A 45 18.263 8.353 2.058 1.00 13.10 H +ATOM 652 HB3 LEU A 45 17.858 7.654 3.427 1.00 13.10 H +ATOM 653 HG LEU A 45 20.536 8.293 2.851 1.00 12.88 H +ATOM 654 HD11 LEU A 45 20.278 10.247 4.126 1.00 14.30 H +ATOM 655 HD12 LEU A 45 19.349 10.306 2.839 1.00 14.30 H +ATOM 656 HD13 LEU A 45 18.722 9.956 4.256 1.00 14.30 H +ATOM 657 HD21 LEU A 45 20.857 8.064 5.144 1.00 14.02 H +ATOM 658 HD22 LEU A 45 19.338 7.629 5.303 1.00 14.02 H +ATOM 659 HD23 LEU A 45 20.348 6.707 4.495 1.00 14.02 H +ATOM 660 N TYR A 46 16.847 6.029 0.663 1.00 11.02 N +ANISOU 660 N TYR A 46 1953 1501 732 -342 415 1 N +ATOM 661 CA TYR A 46 15.561 5.424 0.324 1.00 11.51 C +ANISOU 661 CA TYR A 46 2102 1531 740 -207 382 157 C +ATOM 662 C TYR A 46 15.691 3.924 0.107 1.00 11.59 C +ANISOU 662 C TYR A 46 2112 1555 735 -15 362 67 C +ATOM 663 O TYR A 46 14.851 3.156 0.569 1.00 11.94 O +ANISOU 663 O TYR A 46 2035 1489 1013 -349 386 73 O +ATOM 664 CB TYR A 46 14.953 6.102 -0.912 1.00 10.43 C +ANISOU 664 CB TYR A 46 1698 1639 625 -241 298 217 C +ATOM 665 CG TYR A 46 14.628 7.583 -0.782 1.00 11.55 C +ANISOU 665 CG TYR A 46 1881 1684 825 -87 356 187 C +ATOM 666 CD1 TYR A 46 14.309 8.169 0.427 1.00 12.31 C +ANISOU 666 CD1 TYR A 46 1960 1675 1044 180 173 304 C +ATOM 667 CD2 TYR A 46 14.639 8.397 -1.908 1.00 11.67 C +ANISOU 667 CD2 TYR A 46 1960 1716 757 -165 209 297 C +ATOM 668 CE1 TYR A 46 13.991 9.520 0.492 1.00 12.07 C +ANISOU 668 CE1 TYR A 46 2010 1709 867 -46 379 52 C +ATOM 669 CE2 TYR A 46 14.332 9.724 -1.845 1.00 12.51 C +ANISOU 669 CE2 TYR A 46 1990 1735 1028 -19 367 103 C +ATOM 670 CZ TYR A 46 14.014 10.303 -0.642 1.00 11.97 C +ANISOU 670 CZ TYR A 46 1982 1656 911 -62 243 113 C +ATOM 671 OH TYR A 46 13.738 11.658 -0.585 1.00 12.79 O +ANISOU 671 OH TYR A 46 2068 1636 1154 -58 93 222 O +ATOM 672 H TYR A 46 17.154 6.581 0.080 1.00 13.24 H +ATOM 673 HA TYR A 46 14.952 5.567 1.066 1.00 13.83 H +ATOM 674 HB2 TYR A 46 15.582 6.012 -1.645 1.00 12.53 H +ATOM 675 HB3 TYR A 46 14.124 5.647 -1.128 1.00 12.53 H +ATOM 676 HD1 TYR A 46 14.307 7.656 1.203 1.00 14.80 H +ATOM 677 HD2 TYR A 46 14.863 8.025 -2.730 1.00 14.02 H +ATOM 678 HE1 TYR A 46 13.760 9.900 1.309 1.00 14.51 H +ATOM 679 HE2 TYR A 46 14.338 10.238 -2.620 1.00 15.03 H +ATOM 680 HH TYR A 46 13.787 11.994 -1.353 1.00 15.37 H +ATOM 681 N THR A 47 16.753 3.493 -0.572 1.00 11.27 N +ANISOU 681 N THR A 47 1949 1522 812 -74 351 -76 N +ATOM 682 CA THR A 47 17.048 2.071 -0.765 1.00 13.79 C +ANISOU 682 CA THR A 47 2414 1633 1192 47 662 -240 C +ATOM 683 C THR A 47 17.176 1.353 0.574 1.00 12.38 C +ANISOU 683 C THR A 47 1886 1541 1278 -220 362 -307 C +ATOM 684 O THR A 47 16.643 0.258 0.757 1.00 13.20 O +ANISOU 684 O THR A 47 2238 1484 1294 -185 168 -233 O +ATOM 685 CB THR A 47 18.342 1.936 -1.564 1.00 15.89 C +ANISOU 685 CB THR A 47 2888 1848 1300 200 958 -12 C +ATOM 686 CG2 THR A 47 18.722 0.477 -1.734 1.00 18.08 C +ANISOU 686 CG2 THR A 47 3223 2088 1559 349 1080 -70 C +ATOM 687 OG1 THR A 47 18.152 2.561 -2.832 1.00 18.42 O +ANISOU 687 OG1 THR A 47 3397 2070 1532 5 1070 -264 O +ATOM 688 H THR A 47 17.332 4.012 -0.940 1.00 13.55 H +ATOM 689 HA THR A 47 16.325 1.656 -1.261 1.00 16.57 H +ATOM 690 HB THR A 47 19.077 2.364 -1.099 1.00 19.09 H +ATOM 691 HG1 THR A 47 18.856 2.506 -3.287 1.00 22.13 H +ATOM 692 HG21 THR A 47 19.392 0.388 -2.431 1.00 21.72 H +ATOM 693 HG22 THR A 47 19.083 0.130 -0.904 1.00 21.72 H +ATOM 694 HG23 THR A 47 17.941 -0.042 -1.981 1.00 21.72 H +ATOM 695 N ARG A 48 17.958 1.949 1.478 1.00 12.49 N +ANISOU 695 N ARG A 48 2206 1552 989 -225 665 -45 N +ATOM 696 CA ARG A 48 18.156 1.350 2.798 1.00 12.04 C +ANISOU 696 CA ARG A 48 2020 1618 936 160 327 109 C +ATOM 697 C ARG A 48 16.840 1.259 3.560 1.00 11.84 C +ANISOU 697 C ARG A 48 2178 1539 781 7 375 219 C +ATOM 698 O ARG A 48 16.564 0.256 4.227 1.00 13.04 O +ANISOU 698 O ARG A 48 2204 1624 1128 -105 354 167 O +ATOM 699 CB ARG A 48 19.174 2.183 3.573 1.00 14.28 C +ANISOU 699 CB ARG A 48 2078 2060 1289 135 279 157 C +ATOM 700 CG ARG A 48 19.408 1.737 4.999 1.00 17.36 C +ANISOU 700 CG ARG A 48 2062 2587 1948 86 546 311 C +ATOM 701 CD ARG A 48 19.886 0.299 5.081 1.00 21.17 C +ANISOU 701 CD ARG A 48 2419 3078 2545 267 537 553 C +ATOM 702 NE ARG A 48 20.386 0.001 6.413 1.00 24.81 N +ANISOU 702 NE ARG A 48 2869 3418 3138 295 624 789 N +ATOM 703 CZ ARG A 48 20.712 -1.209 6.840 1.00 28.58 C +ANISOU 703 CZ ARG A 48 3316 3688 3854 344 747 616 C +ATOM 704 NH1 ARG A 48 20.610 -2.262 6.039 1.00 28.77 N1+ +ANISOU 704 NH1 ARG A 48 3086 3776 4070 354 926 471 N1+ +ATOM 705 NH2 ARG A 48 21.150 -1.351 8.077 1.00 31.05 N +ANISOU 705 NH2 ARG A 48 3827 3839 4130 373 639 609 N +ATOM 706 H ARG A 48 18.379 2.689 1.354 1.00 15.02 H +ATOM 707 HA ARG A 48 18.503 0.449 2.701 1.00 14.47 H +ATOM 708 HB2 ARG A 48 20.025 2.137 3.110 1.00 17.16 H +ATOM 709 HB3 ARG A 48 18.862 3.101 3.602 1.00 17.16 H +ATOM 710 HG2 ARG A 48 20.084 2.303 5.403 1.00 20.86 H +ATOM 711 HG3 ARG A 48 18.577 1.807 5.495 1.00 20.86 H +ATOM 712 HD2 ARG A 48 19.148 -0.300 4.887 1.00 25.42 H +ATOM 713 HD3 ARG A 48 20.603 0.159 4.443 1.00 25.42 H +ATOM 714 HE ARG A 48 20.476 0.657 6.962 1.00 29.79 H +ATOM 715 HH11 ARG A 48 20.329 -2.163 5.232 1.00 34.55 H +ATOM 716 HH12 ARG A 48 20.824 -3.044 6.327 1.00 34.55 H +ATOM 717 HH21 ARG A 48 21.219 -0.664 8.590 1.00 37.28 H +ATOM 718 HH22 ARG A 48 21.366 -2.130 8.370 1.00 37.28 H +ATOM 719 N HIS A 49 16.046 2.322 3.532 1.00 11.08 N +ANISOU 719 N HIS A 49 2091 1505 613 -93 273 13 N +ATOM 720 CA HIS A 49 14.782 2.318 4.255 1.00 11.57 C +ANISOU 720 CA HIS A 49 2208 1605 582 -121 74 139 C +ATOM 721 C HIS A 49 13.870 1.202 3.741 1.00 11.67 C +ANISOU 721 C HIS A 49 2182 1638 613 -160 226 -94 C +ATOM 722 O HIS A 49 13.255 0.485 4.530 1.00 11.67 O +ANISOU 722 O HIS A 49 2025 1589 821 -157 514 0 O +ATOM 723 CB HIS A 49 14.110 3.686 4.120 1.00 10.49 C +ANISOU 723 CB HIS A 49 1694 1564 728 -158 246 320 C +ATOM 724 CG HIS A 49 12.978 3.878 5.083 1.00 10.98 C +ANISOU 724 CG HIS A 49 1709 1545 916 -140 256 59 C +ATOM 725 CD2 HIS A 49 12.915 4.529 6.264 1.00 13.79 C +ANISOU 725 CD2 HIS A 49 2412 1744 1083 -271 412 -139 C +ATOM 726 ND1 HIS A 49 11.732 3.327 4.866 1.00 12.75 N +ANISOU 726 ND1 HIS A 49 1953 1732 1161 94 223 173 N +ATOM 727 CE1 HIS A 49 10.953 3.612 5.898 1.00 13.07 C +ANISOU 727 CE1 HIS A 49 2015 1833 1119 -20 476 -185 C +ATOM 728 NE2 HIS A 49 11.644 4.355 6.745 1.00 14.25 N +ANISOU 728 NE2 HIS A 49 2484 1846 1086 -130 614 -185 N +ATOM 729 H HIS A 49 16.213 3.051 3.107 1.00 13.31 H +ATOM 730 HA HIS A 49 14.945 2.159 5.198 1.00 13.90 H +ATOM 731 HB2 HIS A 49 14.768 4.378 4.289 1.00 12.61 H +ATOM 732 HB3 HIS A 49 13.757 3.776 3.221 1.00 12.61 H +ATOM 733 HD2 HIS A 49 13.602 5.004 6.673 1.00 16.57 H +ATOM 734 HE1 HIS A 49 10.071 3.337 6.008 1.00 15.71 H +ATOM 735 HE2 HIS A 49 11.343 4.679 7.483 1.00 17.13 H +ATOM 736 N GLU A 50 13.807 1.052 2.422 1.00 11.76 N +ANISOU 736 N GLU A 50 1965 1790 712 -352 232 -43 N +ATOM 737 CA GLU A 50 12.983 0.020 1.806 1.00 13.43 C +ANISOU 737 CA GLU A 50 2240 2076 785 -414 129 67 C +ATOM 738 C GLU A 50 13.377 -1.359 2.325 1.00 12.53 C +ANISOU 738 C GLU A 50 2212 1646 901 -499 561 -6 C +ATOM 739 O GLU A 50 12.521 -2.171 2.676 1.00 12.63 O +ANISOU 739 O GLU A 50 2397 1485 917 -132 332 -90 O +ATOM 740 CB GLU A 50 13.134 0.058 0.285 1.00 17.89 C +ANISOU 740 CB GLU A 50 2895 2856 1047 -717 -240 -134 C +ATOM 741 CG GLU A 50 12.232 1.066 -0.407 1.00 24.68 C +ANISOU 741 CG GLU A 50 4175 3698 1503 -695 -148 -225 C +ATOM 742 CD GLU A 50 12.529 1.193 -1.888 1.00 32.74 C +ANISOU 742 CD GLU A 50 5574 4585 2280 -726 538 -361 C +ATOM 743 OE1 GLU A 50 11.823 0.553 -2.694 1.00 35.90 O +ANISOU 743 OE1 GLU A 50 6026 4971 2642 -388 984 -669 O +ATOM 744 OE2 GLU A 50 13.472 1.931 -2.245 1.00 35.91 O1- +ANISOU 744 OE2 GLU A 50 6217 5048 2379 -911 819 -244 O1- +ATOM 745 H GLU A 50 14.236 1.539 1.858 1.00 14.13 H +ATOM 746 HA GLU A 50 12.041 0.178 2.028 1.00 16.14 H +ATOM 747 HB2 GLU A 50 14.052 0.286 0.069 1.00 21.49 H +ATOM 748 HB3 GLU A 50 12.923 -0.820 -0.071 1.00 21.49 H +ATOM 749 HG2 GLU A 50 11.309 0.783 -0.310 1.00 29.63 H +ATOM 750 HG3 GLU A 50 12.357 1.937 0.002 1.00 29.63 H +ATOM 751 N GLU A 51 14.681 -1.614 2.370 1.00 13.51 N +ANISOU 751 N GLU A 51 2227 1600 1306 -449 520 104 N +ATOM 752 CA GLU A 51 15.203 -2.893 2.837 1.00 15.33 C +ANISOU 752 CA GLU A 51 2357 1779 1690 -352 499 24 C +ATOM 753 C GLU A 51 14.815 -3.158 4.288 1.00 14.89 C +ANISOU 753 C GLU A 51 2689 1491 1476 -392 373 126 C +ATOM 754 O GLU A 51 14.445 -4.276 4.648 1.00 14.79 O +ANISOU 754 O GLU A 51 2808 1600 1212 -435 309 -5 O +ATOM 755 CB GLU A 51 16.726 -2.924 2.696 1.00 18.45 C +ATOM 756 CG GLU A 51 17.404 -4.006 3.520 1.00 54.66 C +ATOM 757 H GLU A 51 15.290 -1.055 2.133 1.00 16.23 H +ATOM 758 HA GLU A 51 14.832 -3.613 2.286 1.00 18.42 H +ATOM 759 N LEU A 52 14.906 -2.126 5.120 1.00 12.94 N +ANISOU 759 N LEU A 52 2344 1381 1190 -249 485 202 N +ATOM 760 CA LEU A 52 14.568 -2.249 6.532 1.00 13.58 C +ANISOU 760 CA LEU A 52 2403 1484 1272 -296 466 207 C +ATOM 761 C LEU A 52 13.069 -2.446 6.727 1.00 12.99 C +ANISOU 761 C LEU A 52 2308 1574 1055 -293 447 458 C +ATOM 762 O LEU A 52 12.642 -3.294 7.511 1.00 14.46 O +ANISOU 762 O LEU A 52 2846 1573 1077 -304 293 244 O +ATOM 763 CB LEU A 52 15.025 -1.005 7.297 1.00 13.01 C +ANISOU 763 CB LEU A 52 2237 1640 1066 -446 460 -85 C +ATOM 764 CG LEU A 52 16.533 -0.752 7.321 1.00 14.65 C +ANISOU 764 CG LEU A 52 2180 2008 1377 -269 51 -42 C +ATOM 765 CD1 LEU A 52 16.849 0.510 8.109 1.00 14.21 C +ANISOU 765 CD1 LEU A 52 2024 2010 1364 -355 43 -548 C +ATOM 766 CD2 LEU A 52 17.267 -1.948 7.906 1.00 15.47 C +ANISOU 766 CD2 LEU A 52 2219 2386 1273 -403 268 -60 C +ATOM 767 H LEU A 52 15.163 -1.339 4.889 1.00 15.55 H +ATOM 768 HA LEU A 52 15.029 -3.028 6.907 1.00 16.31 H +ATOM 769 HB2 LEU A 52 14.608 -0.227 6.893 1.00 15.63 H +ATOM 770 HB3 LEU A 52 14.730 -1.086 8.217 1.00 15.63 H +ATOM 771 HG LEU A 52 16.844 -0.624 6.411 1.00 17.60 H +ATOM 772 HD11 LEU A 52 17.800 0.642 8.118 1.00 17.07 H +ATOM 773 HD12 LEU A 52 16.417 1.257 7.688 1.00 17.07 H +ATOM 774 HD13 LEU A 52 16.523 0.407 9.006 1.00 17.07 H +ATOM 775 HD21 LEU A 52 18.070 -1.641 8.334 1.00 18.59 H +ATOM 776 HD22 LEU A 52 16.698 -2.380 8.547 1.00 18.59 H +ATOM 777 HD23 LEU A 52 17.486 -2.557 7.197 1.00 18.59 H +ATOM 778 N LEU A 53 12.261 -1.708 6.015 1.00 11.61 N +ANISOU 778 N LEU A 53 1919 1669 824 -302 487 220 N +ATOM 779 CA LEU A 53 10.827 -1.780 6.112 1.00 12.22 C +ANISOU 779 CA LEU A 53 1896 1772 975 -424 419 -53 C +ATOM 780 C LEU A 53 10.318 -3.174 5.750 1.00 12.80 C +ANISOU 780 C LEU A 53 1961 1895 1006 -500 390 -119 C +ATOM 781 O LEU A 53 9.492 -3.704 6.394 1.00 13.38 O +ANISOU 781 O LEU A 53 2009 1673 1402 -348 529 59 O +ATOM 782 CB LEU A 53 10.179 -0.749 5.197 1.00 14.66 C +ANISOU 782 CB LEU A 53 2257 1843 1469 -274 343 181 C +ATOM 783 CG LEU A 53 8.676 -0.689 5.305 1.00 18.29 C +ANISOU 783 CG LEU A 53 2748 2009 2192 -34 20 231 C +ATOM 784 CD1 LEU A 53 8.135 0.704 5.156 1.00 20.21 C +ANISOU 784 CD1 LEU A 53 3059 2132 2488 161 45 701 C +ATOM 785 CD2 LEU A 53 7.976 -1.619 4.361 1.00 19.01 C +ANISOU 785 CD2 LEU A 53 2677 2001 2545 393 159 64 C +ATOM 786 H LEU A 53 12.532 -1.129 5.440 1.00 13.96 H +ATOM 787 HA LEU A 53 10.557 -1.584 7.034 1.00 14.68 H +ATOM 788 HB2 LEU A 53 10.526 0.128 5.420 1.00 17.61 H +ATOM 789 HB3 LEU A 53 10.400 -0.967 4.278 1.00 17.61 H +ATOM 790 HG LEU A 53 8.439 -0.980 6.200 1.00 21.97 H +ATOM 791 HD11 LEU A 53 7.245 0.657 4.798 1.00 24.28 H +ATOM 792 HD12 LEU A 53 8.119 1.127 6.018 1.00 24.28 H +ATOM 793 HD13 LEU A 53 8.702 1.197 4.560 1.00 24.28 H +ATOM 794 HD21 LEU A 53 7.414 -2.212 4.866 1.00 22.83 H +ATOM 795 HD22 LEU A 53 7.443 -1.103 3.753 1.00 22.83 H +ATOM 796 HD23 LEU A 53 8.632 -2.123 3.875 1.00 22.83 H +ATOM 797 N ASN A 54 10.857 -3.754 4.703 1.00 13.97 N +ANISOU 797 N ASN A 54 1925 2152 1230 -467 356 -167 N +ATOM 798 CA ASN A 54 10.380 -5.064 4.312 1.00 14.98 C +ANISOU 798 CA ASN A 54 2257 2304 1131 -650 323 -379 C +ATOM 799 C ASN A 54 10.616 -6.143 5.337 1.00 13.34 C +ANISOU 799 C ASN A 54 1823 1847 1400 -489 254 -288 C +ATOM 800 O ASN A 54 9.777 -6.977 5.517 1.00 13.05 O +ANISOU 800 O ASN A 54 1960 1561 1439 -238 128 -277 O +ATOM 801 CB ASN A 54 10.871 -5.387 2.898 1.00 18.97 C +ANISOU 801 CB ASN A 54 3239 2782 1187 -1025 532 -352 C +ATOM 802 CG ASN A 54 9.946 -4.756 1.883 1.00 27.58 C +ANISOU 802 CG ASN A 54 4807 3521 2152 -1236 859 -133 C +ATOM 803 ND2 ASN A 54 8.704 -5.250 1.782 1.00 30.07 N +ANISOU 803 ND2 ASN A 54 5112 3927 2387 -1283 1119 -97 N +ATOM 804 OD1 ASN A 54 10.310 -3.790 1.259 1.00 31.46 O +ANISOU 804 OD1 ASN A 54 5538 3790 2626 -1211 543 -10 O +ATOM 805 H ASN A 54 11.482 -3.426 4.211 1.00 16.78 H +ATOM 806 HA ASN A 54 9.406 -4.992 4.237 1.00 18.00 H +ATOM 807 HB2 ASN A 54 11.761 -5.022 2.773 1.00 22.78 H +ATOM 808 HB3 ASN A 54 10.874 -6.348 2.764 1.00 22.78 H +ATOM 809 HD21 ASN A 54 8.565 -6.176 1.491 1.00 36.11 H +ATOM 810 HD22 ASN A 54 7.934 -4.685 2.002 1.00 36.11 H +ATOM 811 N ARG A 55 11.743 -6.080 6.022 1.00 14.12 N +ANISOU 811 N ARG A 55 2018 1821 1526 -484 614 -315 N +ATOM 812 CA ARG A 55 12.017 -7.044 7.074 1.00 14.03 C +ANISOU 812 CA ARG A 55 1935 1725 1669 -353 392 -211 C +ATOM 813 C ARG A 55 11.050 -6.845 8.252 1.00 13.26 C +ANISOU 813 C ARG A 55 2041 1507 1489 -228 325 102 C +ATOM 814 O ARG A 55 10.595 -7.771 8.813 1.00 12.96 O +ANISOU 814 O ARG A 55 1917 1447 1559 -146 292 28 O +ATOM 815 CB ARG A 55 13.465 -6.931 7.555 1.00 16.46 C +ANISOU 815 CB ARG A 55 1931 2098 2225 -210 585 -385 C +ATOM 816 CG ARG A 55 14.510 -7.360 6.530 1.00 18.87 C +ANISOU 816 CG ARG A 55 1899 2376 2893 -41 654 -590 C +ATOM 817 CD ARG A 55 15.873 -6.860 6.937 1.00 21.96 C +ANISOU 817 CD ARG A 55 1894 2762 3689 66 681 -738 C +ATOM 818 NE ARG A 55 16.818 -7.063 5.868 1.00 25.81 N +ANISOU 818 NE ARG A 55 2309 3148 4348 -41 689 -895 N +ATOM 819 CZ ARG A 55 18.056 -6.619 5.883 1.00 27.65 C +ANISOU 819 CZ ARG A 55 2312 3342 4851 122 705 -1110 C +ATOM 820 NH1 ARG A 55 18.529 -5.968 6.912 1.00 28.73 N1+ +ANISOU 820 NH1 ARG A 55 2500 3422 4993 96 635 -1183 N1+ +ATOM 821 NH2 ARG A 55 18.842 -6.888 4.861 1.00 29.80 N +ANISOU 821 NH2 ARG A 55 2702 3501 5120 -36 834 -1216 N +ATOM 822 H ARG A 55 12.362 -5.496 5.901 1.00 16.97 H +ATOM 823 HA ARG A 55 11.884 -7.949 6.722 1.00 16.85 H +ATOM 824 HB2 ARG A 55 13.643 -6.007 7.787 1.00 19.77 H +ATOM 825 HB3 ARG A 55 13.576 -7.491 8.340 1.00 19.77 H +ATOM 826 HG2 ARG A 55 14.539 -8.329 6.483 1.00 22.66 H +ATOM 827 HG3 ARG A 55 14.288 -6.984 5.664 1.00 22.66 H +ATOM 828 HD2 ARG A 55 15.825 -5.911 7.129 1.00 26.38 H +ATOM 829 HD3 ARG A 55 16.179 -7.350 7.716 1.00 26.38 H +ATOM 830 HE ARG A 55 16.534 -7.588 5.103 1.00 30.99 H +ATOM 831 HH11 ARG A 55 18.021 -5.801 7.585 1.00 34.50 H +ATOM 832 HH12 ARG A 55 19.342 -5.689 6.907 1.00 34.50 H +ATOM 833 HH21 ARG A 55 18.535 -7.320 4.184 1.00 35.78 H +ATOM 834 HH22 ARG A 55 19.654 -6.604 4.857 1.00 35.78 H +ATOM 835 N ILE A 56 10.808 -5.595 8.640 1.00 11.98 N +ANISOU 835 N ILE A 56 2000 1413 1138 -180 238 30 N +ATOM 836 CA ILE A 56 9.880 -5.326 9.731 1.00 11.37 C +ANISOU 836 CA ILE A 56 1924 1467 930 -241 70 -147 C +ATOM 837 C ILE A 56 8.474 -5.754 9.351 1.00 10.30 C +ANISOU 837 C ILE A 56 1752 1447 716 -326 193 160 C +ATOM 838 O ILE A 56 7.737 -6.293 10.186 1.00 11.23 O +ANISOU 838 O ILE A 56 1995 1541 730 -381 119 94 O +ATOM 839 CB ILE A 56 9.922 -3.832 10.080 1.00 12.38 C +ANISOU 839 CB ILE A 56 2081 1499 1124 -207 105 -133 C +ATOM 840 CG1 ILE A 56 11.306 -3.398 10.558 1.00 14.92 C +ANISOU 840 CG1 ILE A 56 2271 1623 1775 -123 -29 -43 C +ATOM 841 CG2 ILE A 56 8.890 -3.514 11.133 1.00 14.18 C +ANISOU 841 CG2 ILE A 56 2498 1699 1190 -377 160 -416 C +ATOM 842 CD1 ILE A 56 11.539 -1.899 10.487 1.00 15.03 C +ANISOU 842 CD1 ILE A 56 2289 1650 1771 -226 -424 48 C +ATOM 843 H ILE A 56 11.161 -4.893 8.289 1.00 14.39 H +ATOM 844 HA ILE A 56 10.152 -5.841 10.507 1.00 13.67 H +ATOM 845 HB ILE A 56 9.722 -3.340 9.268 1.00 14.88 H +ATOM 846 HG12 ILE A 56 11.416 -3.671 11.482 1.00 17.93 H +ATOM 847 HG13 ILE A 56 11.976 -3.828 10.004 1.00 17.93 H +ATOM 848 HG21 ILE A 56 9.111 -2.664 11.545 1.00 17.03 H +ATOM 849 HG22 ILE A 56 8.017 -3.461 10.714 1.00 17.03 H +ATOM 850 HG23 ILE A 56 8.894 -4.217 11.802 1.00 17.03 H +ATOM 851 HD11 ILE A 56 12.470 -1.714 10.685 1.00 18.05 H +ATOM 852 HD12 ILE A 56 11.323 -1.588 9.594 1.00 18.05 H +ATOM 853 HD13 ILE A 56 10.969 -1.460 11.138 1.00 18.05 H +ATOM 854 N LEU A 57 8.059 -5.457 8.119 1.00 10.41 N +ANISOU 854 N LEU A 57 1764 1571 622 -276 118 167 N +ATOM 855 CA LEU A 57 6.741 -5.843 7.621 1.00 11.35 C +ANISOU 855 CA LEU A 57 2049 1494 771 -388 -2 319 C +ATOM 856 C LEU A 57 6.507 -7.340 7.757 1.00 10.51 C +ANISOU 856 C LEU A 57 1992 1432 569 -379 100 -16 C +ATOM 857 O LEU A 57 5.450 -7.770 8.238 1.00 10.94 O +ANISOU 857 O LEU A 57 1962 1453 742 -367 104 68 O +ATOM 858 CB LEU A 57 6.615 -5.413 6.164 1.00 12.29 C +ANISOU 858 CB LEU A 57 2106 1681 883 -304 -77 177 C +ATOM 859 CG LEU A 57 5.380 -5.860 5.399 1.00 13.85 C +ANISOU 859 CG LEU A 57 2380 1885 997 -267 -17 33 C +ATOM 860 CD1 LEU A 57 4.110 -5.212 6.010 1.00 14.85 C +ANISOU 860 CD1 LEU A 57 2441 1921 1279 -219 -98 -117 C +ATOM 861 CD2 LEU A 57 5.496 -5.542 3.903 1.00 14.85 C +ANISOU 861 CD2 LEU A 57 2629 2113 902 -6 46 187 C +ATOM 862 H LEU A 57 8.529 -5.026 7.542 1.00 12.52 H +ATOM 863 HA LEU A 57 6.060 -5.392 8.144 1.00 13.65 H +ATOM 864 HB2 LEU A 57 6.623 -4.443 6.140 1.00 14.77 H +ATOM 865 HB3 LEU A 57 7.383 -5.763 5.685 1.00 14.77 H +ATOM 866 HG LEU A 57 5.299 -6.824 5.475 1.00 16.64 H +ATOM 867 HD11 LEU A 57 3.339 -5.464 5.478 1.00 17.84 H +ATOM 868 HD12 LEU A 57 4.001 -5.528 6.920 1.00 17.84 H +ATOM 869 HD13 LEU A 57 4.214 -4.248 6.005 1.00 17.84 H +ATOM 870 HD21 LEU A 57 4.693 -5.846 3.452 1.00 17.85 H +ATOM 871 HD22 LEU A 57 5.596 -4.584 3.791 1.00 17.85 H +ATOM 872 HD23 LEU A 57 6.271 -6.000 3.542 1.00 17.85 H +ATOM 873 N GLU A 58 7.481 -8.147 7.344 1.00 10.46 N +ANISOU 873 N GLU A 58 1897 1399 678 -343 236 -113 N +ATOM 874 CA GLU A 58 7.291 -9.594 7.411 1.00 11.19 C +ANISOU 874 CA GLU A 58 2184 1341 728 -257 68 -38 C +ATOM 875 C GLU A 58 7.280 -10.104 8.841 1.00 10.22 C +ANISOU 875 C GLU A 58 1843 1316 724 -50 244 119 C +ATOM 876 O GLU A 58 6.535 -11.033 9.147 1.00 11.56 O +ANISOU 876 O GLU A 58 1925 1382 1087 -131 168 4 O +ATOM 877 CB GLU A 58 8.307 -10.338 6.557 1.00 14.08 C +ANISOU 877 CB GLU A 58 2907 1649 794 -169 304 65 C +ATOM 878 CG GLU A 58 8.089 -10.072 5.050 1.00 18.01 C +ANISOU 878 CG GLU A 58 3849 1950 1045 -157 287 191 C +ATOM 879 CD GLU A 58 6.604 -10.162 4.610 1.00 18.51 C +ANISOU 879 CD GLU A 58 3740 2092 1200 -127 49 166 C +ATOM 880 OE1 GLU A 58 5.904 -11.101 5.028 1.00 18.42 O +ANISOU 880 OE1 GLU A 58 3698 2140 1159 -233 -54 -183 O +ATOM 881 OE2 GLU A 58 6.122 -9.301 3.834 1.00 20.09 O1- +ANISOU 881 OE2 GLU A 58 3846 2202 1586 36 -62 152 O1- +ATOM 882 H GLU A 58 8.240 -7.891 7.030 1.00 12.58 H +ATOM 883 HA GLU A 58 6.423 -9.795 7.027 1.00 13.45 H +ATOM 884 HB2 GLU A 58 9.200 -10.043 6.793 1.00 16.92 H +ATOM 885 HB3 GLU A 58 8.220 -11.291 6.714 1.00 16.92 H +ATOM 886 HG2 GLU A 58 8.406 -9.179 4.841 1.00 21.64 H +ATOM 887 HG3 GLU A 58 8.589 -10.729 4.541 1.00 21.64 H +ATOM 888 N LYS A 59 8.061 -9.496 9.729 1.00 10.88 N +ANISOU 888 N LYS A 59 2106 1303 724 -145 185 152 N +ATOM 889 CA LYS A 59 8.013 -9.878 11.138 1.00 11.49 C +ANISOU 889 CA LYS A 59 2114 1357 893 -61 213 282 C +ATOM 890 C LYS A 59 6.657 -9.530 11.742 1.00 11.20 C +ANISOU 890 C LYS A 59 2059 1415 782 -147 412 10 C +ATOM 891 O LYS A 59 6.052 -10.348 12.423 1.00 10.85 O +ANISOU 891 O LYS A 59 2013 1382 728 -265 230 -16 O +ATOM 892 CB LYS A 59 9.137 -9.195 11.910 1.00 12.17 C +ANISOU 892 CB LYS A 59 2306 1574 743 26 389 233 C +ATOM 893 CG LYS A 59 9.293 -9.763 13.298 1.00 13.92 C +ANISOU 893 CG LYS A 59 2474 1909 907 67 276 164 C +ATOM 894 CD LYS A 59 10.571 -9.313 13.968 1.00 15.96 C +ANISOU 894 CD LYS A 59 2599 2221 1244 -287 22 88 C +ATOM 895 CE LYS A 59 10.578 -9.781 15.402 1.00 18.94 C +ANISOU 895 CE LYS A 59 2693 2542 1961 -314 293 -126 C +ATOM 896 NZ LYS A 59 11.802 -9.440 16.148 1.00 23.58 N1+ +ANISOU 896 NZ LYS A 59 3233 2732 2995 -338 791 -332 N1+ +ATOM 897 H LYS A 59 8.620 -8.868 9.546 1.00 13.08 H +ATOM 898 HA LYS A 59 8.146 -10.836 11.210 1.00 13.80 H +ATOM 899 HB2 LYS A 59 9.973 -9.321 11.434 1.00 14.62 H +ATOM 900 HB3 LYS A 59 8.940 -8.249 11.989 1.00 14.62 H +ATOM 901 HG2 LYS A 59 8.548 -9.471 13.846 1.00 16.73 H +ATOM 902 HG3 LYS A 59 9.307 -10.731 13.245 1.00 16.73 H +ATOM 903 HD2 LYS A 59 11.335 -9.696 13.510 1.00 19.18 H +ATOM 904 HD3 LYS A 59 10.627 -8.345 13.954 1.00 19.18 H +ATOM 905 HE2 LYS A 59 9.830 -9.373 15.865 1.00 22.75 H +ATOM 906 HE3 LYS A 59 10.488 -10.747 15.413 1.00 22.75 H +ATOM 907 HZ1 LYS A 59 11.744 -9.743 16.983 1.00 28.32 H +ATOM 908 HZ2 LYS A 59 12.510 -9.809 15.755 1.00 28.32 H +ATOM 909 HZ3 LYS A 59 11.910 -8.557 16.168 1.00 28.32 H +ATOM 910 N ALA A 60 6.149 -8.326 11.469 1.00 11.06 N +ANISOU 910 N ALA A 60 2025 1432 745 -4 430 10 N +ATOM 911 CA ALA A 60 4.845 -7.940 12.005 1.00 11.14 C +ANISOU 911 CA ALA A 60 2180 1453 601 -30 265 41 C +ATOM 912 C ALA A 60 3.745 -8.835 11.459 1.00 10.79 C +ANISOU 912 C ALA A 60 2103 1438 559 -20 190 -63 C +ATOM 913 O ALA A 60 2.810 -9.206 12.181 1.00 11.78 O +ANISOU 913 O ALA A 60 2278 1471 726 -159 445 3 O +ATOM 914 CB ALA A 60 4.554 -6.481 11.661 1.00 11.48 C +ANISOU 914 CB ALA A 60 1925 1501 936 -204 170 140 C +ATOM 915 H ALA A 60 6.532 -7.726 10.986 1.00 13.29 H +ATOM 916 HA ALA A 60 4.863 -8.030 12.971 1.00 13.40 H +ATOM 917 HB1 ALA A 60 3.688 -6.238 12.024 1.00 13.80 H +ATOM 918 HB2 ALA A 60 5.244 -5.921 12.049 1.00 13.80 H +ATOM 919 HB3 ALA A 60 4.549 -6.379 10.696 1.00 13.80 H +ATOM 920 N ARG A 61 3.859 -9.237 10.192 1.00 10.47 N +ANISOU 920 N ARG A 61 1979 1450 551 66 245 60 N +ATOM 921 CA ARG A 61 2.880 -10.148 9.605 1.00 11.68 C +ANISOU 921 CA ARG A 61 2113 1594 732 230 231 213 C +ATOM 922 C ARG A 61 2.901 -11.501 10.307 1.00 10.52 C +ANISOU 922 C ARG A 61 1801 1610 585 96 272 161 C +ATOM 923 O ARG A 61 1.847 -12.040 10.652 1.00 11.80 O +ANISOU 923 O ARG A 61 1983 1733 769 -86 469 -6 O +ATOM 924 CB ARG A 61 3.138 -10.318 8.107 1.00 11.74 C +ANISOU 924 CB ARG A 61 2108 1628 726 207 174 183 C +ATOM 925 CG ARG A 61 1.952 -10.900 7.363 1.00 13.39 C +ANISOU 925 CG ARG A 61 2218 1756 1113 -60 17 267 C +ATOM 926 CD ARG A 61 2.294 -11.396 5.951 1.00 13.83 C +ANISOU 926 CD ARG A 61 2403 1922 929 -294 -71 -52 C +ATOM 927 NE ARG A 61 3.054 -10.407 5.176 1.00 16.72 N +ANISOU 927 NE ARG A 61 3196 2090 1068 -131 -94 -76 N +ATOM 928 CZ ARG A 61 2.526 -9.355 4.572 1.00 17.80 C +ANISOU 928 CZ ARG A 61 3419 2012 1331 50 -78 -218 C +ATOM 929 NH1 ARG A 61 1.216 -9.155 4.594 1.00 19.69 N1+ +ANISOU 929 NH1 ARG A 61 3869 2094 1520 369 -390 -170 N1+ +ATOM 930 NH2 ARG A 61 3.308 -8.523 3.909 1.00 18.07 N +ANISOU 930 NH2 ARG A 61 3546 1979 1340 -117 -348 -45 N +ATOM 931 H ARG A 61 4.488 -8.999 9.656 1.00 12.59 H +ATOM 932 HA ARG A 61 1.997 -9.761 9.713 1.00 14.04 H +ATOM 933 HB2 ARG A 61 3.337 -9.450 7.722 1.00 14.11 H +ATOM 934 HB3 ARG A 61 3.892 -10.916 7.983 1.00 14.11 H +ATOM 935 HG2 ARG A 61 1.606 -11.654 7.866 1.00 16.09 H +ATOM 936 HG3 ARG A 61 1.269 -10.216 7.279 1.00 16.09 H +ATOM 937 HD2 ARG A 61 2.830 -12.201 6.019 1.00 16.61 H +ATOM 938 HD3 ARG A 61 1.471 -11.585 5.473 1.00 16.61 H +ATOM 939 HE ARG A 61 3.904 -10.520 5.110 1.00 20.09 H +ATOM 940 HH11 ARG A 61 0.703 -9.711 5.003 1.00 23.66 H +ATOM 941 HH12 ARG A 61 0.879 -8.469 4.199 1.00 23.66 H +ATOM 942 HH21 ARG A 61 4.155 -8.667 3.872 1.00 21.70 H +ATOM 943 HH22 ARG A 61 2.970 -7.838 3.514 1.00 21.70 H +ATOM 944 N ARG A 62 4.091 -12.075 10.499 1.00 10.42 N +ANISOU 944 N ARG A 62 1854 1484 621 -107 242 98 N +ATOM 945 CA ARG A 62 4.167 -13.359 11.189 1.00 11.79 C +ANISOU 945 CA ARG A 62 2198 1478 804 56 357 74 C +ATOM 946 C ARG A 62 3.615 -13.266 12.608 1.00 11.15 C +ANISOU 946 C ARG A 62 2218 1312 708 121 439 65 C +ATOM 947 O ARG A 62 3.077 -14.255 13.135 1.00 12.67 O +ANISOU 947 O ARG A 62 2543 1404 867 -39 512 174 O +ATOM 948 CB ARG A 62 5.619 -13.840 11.269 1.00 12.71 C +ANISOU 948 CB ARG A 62 2508 1529 793 162 397 212 C +ATOM 949 CG ARG A 62 6.263 -14.246 9.981 1.00 13.18 C +ANISOU 949 CG ARG A 62 2547 1573 888 45 525 57 C +ATOM 950 CD ARG A 62 7.575 -14.997 10.256 1.00 13.60 C +ANISOU 950 CD ARG A 62 2581 1590 997 20 178 5 C +ATOM 951 NE ARG A 62 8.568 -14.213 10.991 1.00 14.66 N +ANISOU 951 NE ARG A 62 2607 1826 1139 164 212 -97 N +ATOM 952 CZ ARG A 62 9.396 -13.332 10.427 1.00 14.68 C +ANISOU 952 CZ ARG A 62 2410 1889 1278 197 248 -331 C +ATOM 953 NH1 ARG A 62 9.356 -13.087 9.118 1.00 14.04 N1+ +ANISOU 953 NH1 ARG A 62 2098 1782 1453 222 591 -128 N1+ +ATOM 954 NH2 ARG A 62 10.269 -12.672 11.175 1.00 16.06 N +ANISOU 954 NH2 ARG A 62 2344 2240 1518 109 1 -529 N +ATOM 955 H ARG A 62 4.846 -11.750 10.246 1.00 12.53 H +ATOM 956 HA ARG A 62 3.647 -14.000 10.680 1.00 14.17 H +ATOM 957 HB2 ARG A 62 6.154 -13.121 11.639 1.00 15.28 H +ATOM 958 HB3 ARG A 62 5.648 -14.611 11.856 1.00 15.28 H +ATOM 959 HG2 ARG A 62 5.667 -14.833 9.489 1.00 15.84 H +ATOM 960 HG3 ARG A 62 6.462 -13.457 9.453 1.00 15.84 H +ATOM 961 HD2 ARG A 62 7.377 -15.788 10.782 1.00 16.34 H +ATOM 962 HD3 ARG A 62 7.971 -15.253 9.408 1.00 16.34 H +ATOM 963 HE ARG A 62 8.621 -14.328 11.842 1.00 17.62 H +ATOM 964 HH11 ARG A 62 8.789 -13.500 8.620 1.00 16.87 H +ATOM 965 HH12 ARG A 62 9.897 -12.516 8.771 1.00 16.87 H +ATOM 966 HH21 ARG A 62 10.301 -12.812 12.023 1.00 19.29 H +ATOM 967 HH22 ARG A 62 10.803 -12.104 10.812 1.00 19.29 H +ATOM 968 N GLU A 63 3.804 -12.119 13.278 1.00 11.09 N +ANISOU 968 N GLU A 63 2251 1313 649 -88 303 92 N +ATOM 969 CA GLU A 63 3.357 -11.886 14.642 1.00 12.13 C +ANISOU 969 CA GLU A 63 2454 1431 725 -165 371 59 C +ATOM 970 C GLU A 63 1.860 -11.640 14.716 1.00 12.42 C +ANISOU 970 C GLU A 63 2374 1552 793 -314 328 -29 C +ATOM 971 O GLU A 63 1.315 -11.547 15.822 1.00 13.39 O +ANISOU 971 O GLU A 63 2527 1757 805 -342 454 -19 O +ATOM 972 CB GLU A 63 4.142 -10.722 15.251 1.00 12.71 C +ANISOU 972 CB GLU A 63 2536 1525 767 -235 275 213 C +ATOM 973 CG GLU A 63 5.569 -11.055 15.671 1.00 12.71 C +ANISOU 973 CG GLU A 63 2395 1499 934 -295 69 149 C +ATOM 974 CD GLU A 63 6.245 -9.969 16.499 1.00 14.03 C +ANISOU 974 CD GLU A 63 2371 1729 1230 -265 -6 196 C +ATOM 975 OE1 GLU A 63 5.599 -8.938 16.769 1.00 15.68 O +ANISOU 975 OE1 GLU A 63 2774 1682 1502 -221 -125 -83 O +ATOM 976 OE2 GLU A 63 7.421 -10.152 16.857 1.00 14.95 O1- +ANISOU 976 OE2 GLU A 63 2482 1920 1279 -215 -32 349 O1- +ATOM 977 H GLU A 63 4.206 -11.437 12.942 1.00 13.33 H +ATOM 978 HA GLU A 63 3.546 -12.664 15.190 1.00 14.58 H +ATOM 979 HB2 GLU A 63 4.191 -10.009 14.595 1.00 15.27 H +ATOM 980 HB3 GLU A 63 3.671 -10.414 16.041 1.00 15.27 H +ATOM 981 HG2 GLU A 63 5.555 -11.865 16.204 1.00 15.27 H +ATOM 982 HG3 GLU A 63 6.104 -11.192 14.873 1.00 15.27 H +ATOM 983 N GLY A 64 1.158 -11.598 13.585 1.00 11.76 N +ANISOU 983 N GLY A 64 2131 1586 752 -231 496 -82 N +ATOM 984 CA GLY A 64 -0.269 -11.377 13.605 1.00 13.10 C +ANISOU 984 CA GLY A 64 2559 1597 820 -354 322 -26 C +ATOM 985 C GLY A 64 -0.672 -9.969 13.914 1.00 11.59 C +ANISOU 985 C GLY A 64 2176 1561 665 -199 354 7 C +ATOM 986 O GLY A 64 -1.822 -9.721 14.303 1.00 13.48 O +ANISOU 986 O GLY A 64 2543 1690 890 -91 575 -32 O +ATOM 987 H GLY A 64 1.491 -11.695 12.798 1.00 14.14 H +ATOM 988 HA2 GLY A 64 -0.633 -11.607 12.736 1.00 15.74 H +ATOM 989 HA3 GLY A 64 -0.665 -11.954 14.276 1.00 15.74 H +ATOM 990 N ASN A 65 0.258 -9.037 13.751 1.00 11.65 N +ANISOU 990 N ASN A 65 2063 1349 1015 -5 276 178 N +ATOM 991 CA ASN A 65 -0.049 -7.623 13.998 1.00 11.56 C +ANISOU 991 CA ASN A 65 2135 1332 925 82 378 255 C +ATOM 992 C ASN A 65 -0.698 -7.014 12.709 1.00 11.17 C +ANISOU 992 C ASN A 65 2126 1385 732 -190 338 237 C +ATOM 993 O ASN A 65 -0.060 -6.302 11.973 1.00 12.07 O +ANISOU 993 O ASN A 65 2279 1416 890 -200 325 255 O +ATOM 994 CB ASN A 65 1.193 -6.853 14.424 1.00 12.47 C +ANISOU 994 CB ASN A 65 2374 1327 1036 38 459 141 C +ATOM 995 CG ASN A 65 0.851 -5.496 15.062 1.00 13.25 C +ANISOU 995 CG ASN A 65 2566 1310 1158 -47 367 24 C +ATOM 996 ND2 ASN A 65 1.740 -5.006 15.841 1.00 12.71 N +ANISOU 996 ND2 ASN A 65 2583 1297 948 44 169 398 N +ATOM 997 OD1 ASN A 65 -0.168 -4.943 14.801 1.00 12.51 O +ANISOU 997 OD1 ASN A 65 2321 1319 1113 -8 403 76 O +ATOM 998 H ASN A 65 1.066 -9.191 13.501 1.00 14.00 H +ATOM 999 HA ASN A 65 -0.695 -7.570 14.720 1.00 13.89 H +ATOM 1000 HB2 ASN A 65 1.684 -7.378 15.076 1.00 14.98 H +ATOM 1001 HB3 ASN A 65 1.747 -6.689 13.645 1.00 14.98 H +ATOM 1002 HD21 ASN A 65 1.604 -4.249 16.226 1.00 15.27 H +ATOM 1003 HD22 ASN A 65 2.473 -5.433 15.979 1.00 15.27 H +ATOM 1004 N LYS A 66 -1.908 -7.277 12.482 1.00 12.38 N +ANISOU 1004 N LYS A 66 2128 1416 1161 -326 167 306 N +ATOM 1005 CA LYS A 66 -2.651 -6.833 11.310 1.00 13.45 C +ANISOU 1005 CA LYS A 66 2342 1857 912 -272 123 317 C +ATOM 1006 C LYS A 66 -2.749 -5.315 11.200 1.00 14.17 C +ANISOU 1006 C LYS A 66 2298 1769 1318 -47 123 366 C +ATOM 1007 O LYS A 66 -2.603 -4.761 10.111 1.00 13.66 O +ANISOU 1007 O LYS A 66 2164 1880 1146 -186 213 479 O +ATOM 1008 CB LYS A 66 -4.057 -7.436 11.324 1.00 18.08 C +ANISOU 1008 CB LYS A 66 3365 1987 1519 -562 -47 574 C +ATOM 1009 CG LYS A 66 -4.080 -8.944 11.142 1.00 22.82 C +ANISOU 1009 CG LYS A 66 4234 2233 2204 -882 59 481 C +ATOM 1010 CD LYS A 66 -5.498 -9.488 11.189 1.00 29.95 C +ANISOU 1010 CD LYS A 66 5702 2457 3219 -774 758 209 C +ATOM 1011 CE LYS A 66 -5.523 -10.994 10.982 1.00 35.06 C +ANISOU 1011 CE LYS A 66 6795 2532 3996 -997 1484 149 C +ATOM 1012 NZ LYS A 66 -6.904 -11.548 11.049 1.00 39.16 N1+ +ANISOU 1012 NZ LYS A 66 7561 2622 4695 -968 1775 89 N1+ +ATOM 1013 H LYS A 66 -2.347 -7.822 12.982 1.00 14.88 H +ATOM 1014 HA LYS A 66 -2.194 -7.160 10.507 1.00 16.16 H +ATOM 1015 HB2 LYS A 66 -4.473 -7.235 12.177 1.00 21.72 H +ATOM 1016 HB3 LYS A 66 -4.574 -7.042 10.605 1.00 21.72 H +ATOM 1017 HG2 LYS A 66 -3.697 -9.169 10.279 1.00 27.41 H +ATOM 1018 HG3 LYS A 66 -3.571 -9.361 11.854 1.00 27.41 H +ATOM 1019 HD2 LYS A 66 -5.887 -9.294 12.057 1.00 35.96 H +ATOM 1020 HD3 LYS A 66 -6.022 -9.076 10.485 1.00 35.96 H +ATOM 1021 HE2 LYS A 66 -5.157 -11.200 10.108 1.00 42.10 H +ATOM 1022 HE3 LYS A 66 -4.993 -11.419 11.675 1.00 42.10 H +ATOM 1023 HZ1 LYS A 66 -7.470 -11.096 10.419 1.00 47.01 H +ATOM 1024 HZ2 LYS A 66 -6.891 -12.485 10.841 1.00 47.01 H +ATOM 1025 HZ3 LYS A 66 -7.262 -11.430 11.932 1.00 47.01 H +ATOM 1026 N GLU A 67 -2.883 -4.649 12.282 1.00 13.88 N +ANISOU 1026 N GLU A 67 2406 1763 1103 137 358 445 N +ATOM 1027 CA GLU A 67 -2.916 -3.197 12.216 1.00 12.80 C +ANISOU 1027 CA GLU A 67 2052 1662 1150 -22 283 325 C +ATOM 1028 C GLU A 67 -1.551 -2.639 11.780 1.00 12.77 C +ANISOU 1028 C GLU A 67 2315 1680 857 -149 264 365 C +ATOM 1029 O GLU A 67 -1.499 -1.782 10.939 1.00 13.46 O +ANISOU 1029 O GLU A 67 2401 1642 1070 -117 542 259 O +ATOM 1030 CB GLU A 67 -3.325 -2.635 13.577 1.00 15.47 C +ANISOU 1030 CB GLU A 67 2203 1908 1767 292 351 197 C +ATOM 1031 CG GLU A 67 -3.439 -1.122 13.561 1.00 16.68 C +ANISOU 1031 CG GLU A 67 2605 2129 1602 446 326 33 C +ATOM 1032 CD GLU A 67 -3.528 -0.524 14.937 1.00 19.39 C +ANISOU 1032 CD GLU A 67 3244 2312 1811 536 480 221 C +ATOM 1033 OE1 GLU A 67 -3.183 -1.124 15.937 1.00 20.70 O +ANISOU 1033 OE1 GLU A 67 3357 2383 2125 519 389 357 O +ATOM 1034 OE2 GLU A 67 -3.913 0.622 14.983 1.00 22.80 O1- +ANISOU 1034 OE2 GLU A 67 3777 2550 2335 509 453 43 O1- +ATOM 1035 H GLU A 67 -2.983 -4.975 13.072 1.00 16.67 H +ATOM 1036 HA GLU A 67 -3.575 -2.918 11.562 1.00 15.38 H +ATOM 1037 HB2 GLU A 67 -4.188 -3.001 13.826 1.00 18.58 H +ATOM 1038 HB3 GLU A 67 -2.658 -2.881 14.236 1.00 18.58 H +ATOM 1039 HG2 GLU A 67 -2.656 -0.752 13.124 1.00 20.03 H +ATOM 1040 HG3 GLU A 67 -4.240 -0.872 13.074 1.00 20.03 H +ATOM 1041 N ALA A 68 -0.478 -3.116 12.355 1.00 12.24 N +ANISOU 1041 N ALA A 68 2052 1754 846 -53 230 226 N +ATOM 1042 CA ALA A 68 0.815 -2.592 11.931 1.00 11.77 C +ANISOU 1042 CA ALA A 68 2068 1628 776 -17 177 219 C +ATOM 1043 C ALA A 68 1.088 -2.908 10.459 1.00 12.28 C +ANISOU 1043 C ALA A 68 2170 1579 915 -220 -31 256 C +ATOM 1044 O ALA A 68 1.635 -2.076 9.733 1.00 12.88 O +ANISOU 1044 O ALA A 68 2470 1598 827 -464 237 258 O +ATOM 1045 CB ALA A 68 1.926 -3.109 12.839 1.00 12.32 C +ANISOU 1045 CB ALA A 68 2202 1592 887 -176 213 295 C +ATOM 1046 H ALA A 68 -0.459 -3.718 12.969 1.00 14.72 H +ATOM 1047 HA ALA A 68 0.807 -1.626 12.020 1.00 14.15 H +ATOM 1048 HB1 ALA A 68 2.773 -2.743 12.541 1.00 14.81 H +ATOM 1049 HB2 ALA A 68 1.746 -2.828 13.750 1.00 14.81 H +ATOM 1050 HB3 ALA A 68 1.949 -4.078 12.790 1.00 14.81 H +ATOM 1051 N VAL A 69 0.713 -4.096 9.997 1.00 12.01 N +ANISOU 1051 N VAL A 69 2002 1513 1050 -298 37 216 N +ATOM 1052 CA VAL A 69 0.904 -4.462 8.596 1.00 11.80 C +ANISOU 1052 CA VAL A 69 1929 1531 1024 -188 -16 -50 C +ATOM 1053 C VAL A 69 0.088 -3.540 7.697 1.00 11.75 C +ANISOU 1053 C VAL A 69 1952 1567 945 -151 161 26 C +ATOM 1054 O VAL A 69 0.593 -3.021 6.694 1.00 11.25 O +ANISOU 1054 O VAL A 69 1829 1477 970 -187 266 160 O +ATOM 1055 CB VAL A 69 0.521 -5.942 8.381 1.00 11.75 C +ANISOU 1055 CB VAL A 69 1938 1535 990 -23 133 40 C +ATOM 1056 CG1 VAL A 69 0.435 -6.279 6.889 1.00 13.83 C +ANISOU 1056 CG1 VAL A 69 2261 1577 1416 -3 360 336 C +ATOM 1057 CG2 VAL A 69 1.522 -6.853 9.079 1.00 13.86 C +ANISOU 1057 CG2 VAL A 69 2425 1606 1234 65 15 151 C +ATOM 1058 H VAL A 69 0.345 -4.710 10.473 1.00 14.44 H +ATOM 1059 HA VAL A 69 1.840 -4.353 8.367 1.00 14.18 H +ATOM 1060 HB VAL A 69 -0.356 -6.093 8.768 1.00 14.12 H +ATOM 1061 HG11 VAL A 69 0.465 -7.242 6.781 1.00 16.62 H +ATOM 1062 HG12 VAL A 69 -0.399 -5.932 6.534 1.00 16.62 H +ATOM 1063 HG13 VAL A 69 1.185 -5.871 6.429 1.00 16.62 H +ATOM 1064 HG21 VAL A 69 1.238 -7.774 8.973 1.00 16.65 H +ATOM 1065 HG22 VAL A 69 2.396 -6.728 8.677 1.00 16.65 H +ATOM 1066 HG23 VAL A 69 1.555 -6.623 10.021 1.00 16.65 H +ATOM 1067 N THR A 70 -1.174 -3.295 8.050 1.00 12.41 N +ANISOU 1067 N THR A 70 2073 1608 1033 -126 232 209 N +ATOM 1068 CA THR A 70 -2.007 -2.406 7.246 1.00 13.96 C +ANISOU 1068 CA THR A 70 2122 1740 1443 1 74 251 C +ATOM 1069 C THR A 70 -1.357 -1.028 7.148 1.00 12.07 C +ANISOU 1069 C THR A 70 2062 1540 984 46 72 281 C +ATOM 1070 O THR A 70 -1.288 -0.432 6.061 1.00 12.38 O +ANISOU 1070 O THR A 70 2246 1581 876 -127 -9 411 O +ATOM 1071 CB THR A 70 -3.402 -2.297 7.855 1.00 14.70 C +ANISOU 1071 CB THR A 70 2086 1967 1531 -104 -27 355 C +ATOM 1072 CG2 THR A 70 -4.259 -1.259 7.145 1.00 15.16 C +ANISOU 1072 CG2 THR A 70 1964 2105 1692 -140 177 447 C +ATOM 1073 OG1 THR A 70 -4.052 -3.575 7.770 1.00 15.56 O +ANISOU 1073 OG1 THR A 70 2004 2041 1868 -131 -135 319 O +ATOM 1074 H THR A 70 -1.566 -3.626 8.740 1.00 14.91 H +ATOM 1075 HA THR A 70 -2.102 -2.774 6.354 1.00 16.78 H +ATOM 1076 HB THR A 70 -3.315 -2.017 8.780 1.00 17.66 H +ATOM 1077 HG1 THR A 70 -3.626 -4.144 8.217 1.00 18.70 H +ATOM 1078 HG21 THR A 70 -5.190 -1.372 7.392 1.00 18.21 H +ATOM 1079 HG22 THR A 70 -3.973 -0.366 7.394 1.00 18.21 H +ATOM 1080 HG23 THR A 70 -4.174 -1.360 6.184 1.00 18.21 H +ATOM 1081 N LEU A 71 -0.886 -0.479 8.259 1.00 11.84 N +ANISOU 1081 N LEU A 71 2038 1550 911 -33 -37 341 N +ATOM 1082 CA LEU A 71 -0.265 0.838 8.275 1.00 12.23 C +ANISOU 1082 CA LEU A 71 2020 1469 1158 90 245 218 C +ATOM 1083 C LEU A 71 1.059 0.847 7.531 1.00 11.12 C +ANISOU 1083 C LEU A 71 2060 1399 766 -148 383 265 C +ATOM 1084 O LEU A 71 1.360 1.797 6.876 1.00 11.45 O +ANISOU 1084 O LEU A 71 2142 1359 851 -21 367 254 O +ATOM 1085 CB LEU A 71 -0.061 1.308 9.719 1.00 11.85 C +ANISOU 1085 CB LEU A 71 1854 1447 1201 49 319 162 C +ATOM 1086 CG LEU A 71 -1.357 1.617 10.489 1.00 12.30 C +ANISOU 1086 CG LEU A 71 2043 1589 1041 72 338 284 C +ATOM 1087 CD1 LEU A 71 -1.007 1.812 11.955 1.00 13.51 C +ANISOU 1087 CD1 LEU A 71 2297 1695 1142 -4 473 33 C +ATOM 1088 CD2 LEU A 71 -2.060 2.839 9.934 1.00 14.04 C +ANISOU 1088 CD2 LEU A 71 2466 1746 1124 116 515 418 C +ATOM 1089 H LEU A 71 -0.913 -0.854 9.033 1.00 14.23 H +ATOM 1090 HA LEU A 71 -0.863 1.459 7.831 1.00 14.70 H +ATOM 1091 HB2 LEU A 71 0.408 0.612 10.205 1.00 14.24 H +ATOM 1092 HB3 LEU A 71 0.471 2.119 9.705 1.00 14.24 H +ATOM 1093 HG LEU A 71 -1.979 0.879 10.395 1.00 14.78 H +ATOM 1094 HD11 LEU A 71 -1.814 2.032 12.446 1.00 16.23 H +ATOM 1095 HD12 LEU A 71 -0.624 0.991 12.300 1.00 16.23 H +ATOM 1096 HD13 LEU A 71 -0.365 2.535 12.033 1.00 16.23 H +ATOM 1097 HD21 LEU A 71 -2.788 3.081 10.528 1.00 16.88 H +ATOM 1098 HD22 LEU A 71 -1.424 3.569 9.875 1.00 16.88 H +ATOM 1099 HD23 LEU A 71 -2.407 2.630 9.053 1.00 16.88 H +ATOM 1100 N MET A 72 1.831 -0.202 7.615 1.00 12.16 N +ANISOU 1100 N MET A 72 2109 1572 939 -81 196 279 N +ATOM 1101 CA MET A 72 3.086 -0.324 6.870 1.00 11.74 C +ANISOU 1101 CA MET A 72 1778 1596 1085 -81 358 32 C +ATOM 1102 C MET A 72 2.823 -0.332 5.360 1.00 10.64 C +ANISOU 1102 C MET A 72 1608 1544 890 -215 175 136 C +ATOM 1103 O MET A 72 3.564 0.228 4.627 1.00 11.58 O +ANISOU 1103 O MET A 72 1971 1527 900 -266 287 125 O +ATOM 1104 CB MET A 72 3.879 -1.541 7.298 1.00 12.05 C +ANISOU 1104 CB MET A 72 1992 1780 808 434 -73 272 C +ATOM 1105 CG MET A 72 4.804 -1.227 8.454 1.00 16.67 C +ANISOU 1105 CG MET A 72 2424 2215 1696 336 -527 681 C +ATOM 1106 SD MET A 72 5.882 -2.642 8.884 1.00 22.39 S +ANISOU 1106 SD MET A 72 3347 2710 2449 458 -726 327 S +ATOM 1107 CE MET A 72 4.923 -3.326 10.032 1.00 18.54 C +ANISOU 1107 CE MET A 72 2532 2539 1974 496 -700 -1187 C +ATOM 1108 H MET A 72 1.661 -0.887 8.107 1.00 14.61 H +ATOM 1109 HA MET A 72 3.639 0.441 7.092 1.00 14.10 H +ATOM 1110 HB2 MET A 72 3.267 -2.239 7.578 1.00 14.49 H +ATOM 1111 HB3 MET A 72 4.417 -1.851 6.553 1.00 14.49 H +ATOM 1112 HG2 MET A 72 5.371 -0.478 8.213 1.00 20.03 H +ATOM 1113 HG3 MET A 72 4.273 -1.004 9.234 1.00 20.03 H +ATOM 1114 HE1 MET A 72 5.311 -4.172 10.304 1.00 22.27 H +ATOM 1115 HE2 MET A 72 4.866 -2.728 10.793 1.00 22.27 H +ATOM 1116 HE3 MET A 72 4.039 -3.472 9.659 1.00 22.27 H +ATOM 1117 N ASN A 73 1.787 -1.037 4.958 1.00 11.93 N +ANISOU 1117 N ASN A 73 1900 1650 984 64 247 269 N +ATOM 1118 CA ASN A 73 1.399 -1.108 3.544 1.00 12.26 C +ANISOU 1118 CA ASN A 73 2084 1866 709 1 -79 348 C +ATOM 1119 C ASN A 73 0.947 0.290 3.079 1.00 11.42 C +ANISOU 1119 C ASN A 73 1954 1776 608 -77 246 278 C +ATOM 1120 O ASN A 73 1.288 0.688 2.016 1.00 12.40 O +ANISOU 1120 O ASN A 73 2200 1710 802 -103 206 205 O +ATOM 1121 CB ASN A 73 0.303 -2.139 3.346 1.00 13.63 C +ANISOU 1121 CB ASN A 73 2184 1922 1071 -231 13 234 C +ATOM 1122 CG ASN A 73 0.823 -3.572 3.323 1.00 15.31 C +ANISOU 1122 CG ASN A 73 2544 1937 1335 -111 23 177 C +ATOM 1123 ND2 ASN A 73 -0.060 -4.468 3.559 1.00 14.97 N +ANISOU 1123 ND2 ASN A 73 2845 1906 937 -159 84 141 N +ATOM 1124 OD1 ASN A 73 1.939 -3.831 3.066 1.00 16.30 O +ANISOU 1124 OD1 ASN A 73 2860 1831 1503 77 -106 115 O +ATOM 1125 H ASN A 73 1.278 -1.493 5.480 1.00 14.34 H +ATOM 1126 HA ASN A 73 2.149 -1.398 3.002 1.00 14.74 H +ATOM 1127 HB2 ASN A 73 -0.334 -2.065 4.074 1.00 16.37 H +ATOM 1128 HB3 ASN A 73 -0.139 -1.969 2.500 1.00 16.37 H +ATOM 1129 HD21 ASN A 73 0.161 -5.299 3.562 1.00 17.99 H +ATOM 1130 HD22 ASN A 73 -0.874 -4.239 3.714 1.00 17.99 H +ATOM 1131 N GLU A 74 0.251 1.035 3.917 1.00 11.24 N +ANISOU 1131 N GLU A 74 1904 1715 650 -112 84 358 N +ATOM 1132 CA GLU A 74 -0.106 2.395 3.545 1.00 11.61 C +ANISOU 1132 CA GLU A 74 1864 1601 947 -127 64 363 C +ATOM 1133 C GLU A 74 1.133 3.260 3.445 1.00 11.85 C +ANISOU 1133 C GLU A 74 1817 1634 1050 -225 208 230 C +ATOM 1134 O GLU A 74 1.269 4.075 2.516 1.00 11.85 O +ANISOU 1134 O GLU A 74 1938 1554 1009 -138 218 386 O +ATOM 1135 CB GLU A 74 -1.069 3.005 4.551 1.00 12.64 C +ANISOU 1135 CB GLU A 74 2137 1586 1078 -82 138 362 C +ATOM 1136 CG GLU A 74 -2.445 2.404 4.543 1.00 15.61 C +ANISOU 1136 CG GLU A 74 2366 1842 1723 -21 24 420 C +ATOM 1137 CD GLU A 74 -3.458 3.171 5.363 1.00 19.19 C +ANISOU 1137 CD GLU A 74 2594 2220 2477 -51 481 288 C +ATOM 1138 OE1 GLU A 74 -3.330 4.409 5.526 1.00 20.61 O +ANISOU 1138 OE1 GLU A 74 2565 2537 2729 131 523 68 O +ATOM 1139 OE2 GLU A 74 -4.399 2.509 5.832 1.00 21.78 O1- +ANISOU 1139 OE2 GLU A 74 3118 2339 2820 53 970 329 O1- +ATOM 1140 H GLU A 74 -0.023 0.785 4.693 1.00 13.51 H +ATOM 1141 HA GLU A 74 -0.555 2.365 2.686 1.00 13.96 H +ATOM 1142 HB2 GLU A 74 -0.702 2.885 5.441 1.00 15.19 H +ATOM 1143 HB3 GLU A 74 -1.162 3.951 4.355 1.00 15.19 H +ATOM 1144 HG2 GLU A 74 -2.767 2.376 3.628 1.00 18.75 H +ATOM 1145 HG3 GLU A 74 -2.394 1.505 4.904 1.00 18.75 H +ATOM 1146 N PHE A 75 2.063 3.098 4.376 1.00 11.15 N +ANISOU 1146 N PHE A 75 1741 1533 961 -294 67 152 N +ATOM 1147 CA PHE A 75 3.296 3.870 4.326 1.00 10.88 C +ANISOU 1147 CA PHE A 75 1838 1632 663 59 73 257 C +ATOM 1148 C PHE A 75 4.075 3.539 3.061 1.00 11.55 C +ANISOU 1148 C PHE A 75 1960 1702 728 -125 27 253 C +ATOM 1149 O PHE A 75 4.572 4.437 2.375 1.00 12.19 O +ANISOU 1149 O PHE A 75 2070 1859 703 -409 41 328 O +ATOM 1150 CB PHE A 75 4.160 3.618 5.567 1.00 10.63 C +ANISOU 1150 CB PHE A 75 1903 1583 553 -27 89 124 C +ATOM 1151 CG PHE A 75 5.452 4.354 5.527 1.00 10.46 C +ANISOU 1151 CG PHE A 75 1816 1429 728 -5 118 213 C +ATOM 1152 CD1 PHE A 75 6.549 3.823 4.847 1.00 11.52 C +ANISOU 1152 CD1 PHE A 75 1912 1459 1007 139 271 135 C +ATOM 1153 CD2 PHE A 75 5.570 5.616 6.113 1.00 11.44 C +ANISOU 1153 CD2 PHE A 75 1857 1590 899 159 426 196 C +ATOM 1154 CE1 PHE A 75 7.744 4.521 4.780 1.00 11.56 C +ANISOU 1154 CE1 PHE A 75 2007 1535 850 168 27 107 C +ATOM 1155 CE2 PHE A 75 6.766 6.307 6.029 1.00 11.02 C +ANISOU 1155 CE2 PHE A 75 1822 1568 798 213 77 351 C +ATOM 1156 CZ PHE A 75 7.843 5.768 5.379 1.00 11.36 C +ANISOU 1156 CZ PHE A 75 1762 1577 978 72 150 242 C +ATOM 1157 H PHE A 75 2.006 2.554 5.040 1.00 13.40 H +ATOM 1158 HA PHE A 75 3.067 4.813 4.323 1.00 13.07 H +ATOM 1159 HB2 PHE A 75 3.674 3.908 6.355 1.00 12.78 H +ATOM 1160 HB3 PHE A 75 4.356 2.670 5.628 1.00 12.78 H +ATOM 1161 HD1 PHE A 75 6.477 2.992 4.435 1.00 13.85 H +ATOM 1162 HD2 PHE A 75 4.846 5.992 6.559 1.00 13.75 H +ATOM 1163 HE1 PHE A 75 8.475 4.156 4.336 1.00 13.89 H +ATOM 1164 HE2 PHE A 75 6.839 7.148 6.419 1.00 13.25 H +ATOM 1165 HZ PHE A 75 8.644 6.239 5.339 1.00 13.66 H +ATOM 1166 N THR A 76 4.201 2.246 2.737 1.00 11.60 N +ANISOU 1166 N THR A 76 1962 1619 828 57 370 294 N +ATOM 1167 CA THR A 76 4.882 1.863 1.506 1.00 12.14 C +ANISOU 1167 CA THR A 76 2036 1796 780 68 154 311 C +ATOM 1168 C THR A 76 4.247 2.531 0.296 1.00 11.37 C +ANISOU 1168 C THR A 76 1824 1773 722 -173 451 217 C +ATOM 1169 O THR A 76 4.959 3.024 -0.580 1.00 12.69 O +ANISOU 1169 O THR A 76 2282 1776 764 -184 194 181 O +ATOM 1170 CB THR A 76 4.862 0.349 1.346 1.00 15.63 C +ANISOU 1170 CB THR A 76 2782 2099 1059 454 645 347 C +ATOM 1171 CG2 THR A 76 5.421 -0.086 -0.010 1.00 17.32 C +ANISOU 1171 CG2 THR A 76 2779 2251 1551 24 851 335 C +ATOM 1172 OG1 THR A 76 5.679 -0.231 2.353 1.00 19.73 O +ANISOU 1172 OG1 THR A 76 3557 2449 1492 804 113 361 O +ATOM 1173 H THR A 76 3.906 1.588 3.206 1.00 13.95 H +ATOM 1174 HA THR A 76 5.807 2.149 1.560 1.00 14.59 H +ATOM 1175 HB THR A 76 3.944 0.044 1.413 1.00 18.78 H +ATOM 1176 HG1 THR A 76 5.394 -0.015 3.113 1.00 23.70 H +ATOM 1177 HG21 THR A 76 5.592 -1.041 -0.007 1.00 20.81 H +ATOM 1178 HG22 THR A 76 4.784 0.118 -0.712 1.00 20.81 H +ATOM 1179 HG23 THR A 76 6.251 0.382 -0.192 1.00 20.81 H +ATOM 1180 N ALA A 77 2.925 2.622 0.239 1.00 11.75 N +ANISOU 1180 N ALA A 77 1743 1929 793 -298 274 64 N +ATOM 1181 CA ALA A 77 2.301 3.224 -0.922 1.00 12.81 C +ANISOU 1181 CA ALA A 77 1988 1912 969 -285 146 65 C +ATOM 1182 C ALA A 77 2.674 4.696 -1.038 1.00 12.15 C +ANISOU 1182 C ALA A 77 1858 1887 871 -120 342 166 C +ATOM 1183 O ALA A 77 3.001 5.179 -2.137 1.00 12.63 O +ANISOU 1183 O ALA A 77 1968 1956 875 -264 3 194 O +ATOM 1184 CB ALA A 77 0.795 3.040 -0.847 1.00 13.90 C +ANISOU 1184 CB ALA A 77 2188 2147 945 -275 -156 130 C +ATOM 1185 H ALA A 77 2.381 2.348 0.846 1.00 14.12 H +ATOM 1186 HA ALA A 77 2.612 2.778 -1.725 1.00 15.40 H +ATOM 1187 HB1 ALA A 77 0.389 3.435 -1.635 1.00 16.70 H +ATOM 1188 HB2 ALA A 77 0.594 2.092 -0.811 1.00 16.70 H +ATOM 1189 HB3 ALA A 77 0.463 3.479 -0.048 1.00 16.70 H +ATOM 1190 N THR A 78 2.649 5.436 0.083 1.00 11.78 N +ANISOU 1190 N THR A 78 1762 1889 823 -92 437 306 N +ATOM 1191 CA THR A 78 3.038 6.849 0.029 1.00 13.19 C +ANISOU 1191 CA THR A 78 2007 1840 1166 104 645 283 C +ATOM 1192 C THR A 78 4.533 6.991 -0.268 1.00 11.92 C +ANISOU 1192 C THR A 78 2119 1713 698 110 213 265 C +ATOM 1193 O THR A 78 4.941 7.837 -1.079 1.00 11.90 O +ANISOU 1193 O THR A 78 2082 1738 702 170 113 350 O +ATOM 1194 CB THR A 78 2.645 7.600 1.304 1.00 15.90 C +ANISOU 1194 CB THR A 78 2290 2191 1561 120 489 126 C +ATOM 1195 CG2 THR A 78 1.185 7.479 1.587 1.00 17.98 C +ANISOU 1195 CG2 THR A 78 2414 2462 1954 236 736 -30 C +ATOM 1196 OG1 THR A 78 3.352 7.077 2.422 1.00 18.83 O +ANISOU 1196 OG1 THR A 78 3043 2236 1877 103 651 98 O +ATOM 1197 H THR A 78 2.418 5.151 0.861 1.00 14.15 H +ATOM 1198 HA THR A 78 2.542 7.271 -0.690 1.00 15.86 H +ATOM 1199 HB THR A 78 2.862 8.536 1.175 1.00 19.10 H +ATOM 1200 HG1 THR A 78 3.133 6.277 2.552 1.00 22.62 H +ATOM 1201 HG21 THR A 78 0.955 7.999 2.373 1.00 21.59 H +ATOM 1202 HG22 THR A 78 0.672 7.807 0.832 1.00 21.59 H +ATOM 1203 HG23 THR A 78 0.954 6.550 1.745 1.00 21.59 H +ATOM 1204 N PHE A 79 5.364 6.166 0.364 1.00 11.33 N +ANISOU 1204 N PHE A 79 1843 1592 869 55 232 297 N +ATOM 1205 CA PHE A 79 6.801 6.245 0.158 1.00 11.54 C +ANISOU 1205 CA PHE A 79 1896 1765 723 -43 226 376 C +ATOM 1206 C PHE A 79 7.158 5.979 -1.304 1.00 11.63 C +ANISOU 1206 C PHE A 79 1875 1775 770 -110 -49 201 C +ATOM 1207 O PHE A 79 8.014 6.693 -1.876 1.00 11.72 O +ANISOU 1207 O PHE A 79 1896 1756 800 -205 305 289 O +ATOM 1208 CB PHE A 79 7.505 5.248 1.086 1.00 11.27 C +ANISOU 1208 CB PHE A 79 1868 1852 562 -161 120 231 C +ATOM 1209 CG PHE A 79 9.008 5.301 1.050 1.00 11.57 C +ANISOU 1209 CG PHE A 79 1552 2059 785 -4 260 251 C +ATOM 1210 CD1 PHE A 79 9.716 4.606 0.095 1.00 14.37 C +ANISOU 1210 CD1 PHE A 79 2105 2227 1129 79 408 111 C +ATOM 1211 CD2 PHE A 79 9.714 6.012 1.994 1.00 13.76 C +ANISOU 1211 CD2 PHE A 79 1939 2234 1057 -255 262 127 C +ATOM 1212 CE1 PHE A 79 11.093 4.615 0.096 1.00 15.92 C +ANISOU 1212 CE1 PHE A 79 2017 2387 1645 -8 624 297 C +ATOM 1213 CE2 PHE A 79 11.096 6.013 1.972 1.00 14.51 C +ANISOU 1213 CE2 PHE A 79 2000 2414 1100 -262 354 92 C +ATOM 1214 CZ PHE A 79 11.775 5.293 1.019 1.00 14.96 C +ANISOU 1214 CZ PHE A 79 1788 2525 1370 -140 47 70 C +ATOM 1215 H PHE A 79 5.120 5.553 0.916 1.00 13.62 H +ATOM 1216 HA PHE A 79 7.113 7.136 0.381 1.00 13.87 H +ATOM 1217 HB2 PHE A 79 7.229 5.429 1.998 1.00 13.55 H +ATOM 1218 HB3 PHE A 79 7.239 4.351 0.831 1.00 13.55 H +ATOM 1219 HD1 PHE A 79 9.259 4.126 -0.557 1.00 17.27 H +ATOM 1220 HD2 PHE A 79 9.260 6.493 2.648 1.00 16.54 H +ATOM 1221 HE1 PHE A 79 11.554 4.141 -0.557 1.00 19.13 H +ATOM 1222 HE2 PHE A 79 11.569 6.503 2.605 1.00 17.44 H +ATOM 1223 HZ PHE A 79 12.705 5.279 1.018 1.00 17.97 H +ATOM 1224 N GLN A 80 6.553 4.973 -1.909 1.00 11.73 N +ANISOU 1224 N GLN A 80 1809 1661 986 -406 61 105 N +ATOM 1225 CA GLN A 80 6.821 4.606 -3.306 1.00 11.35 C +ANISOU 1225 CA GLN A 80 1823 1775 714 -48 132 -196 C +ATOM 1226 C GLN A 80 6.260 5.675 -4.298 1.00 11.11 C +ANISOU 1226 C GLN A 80 1811 1865 546 7 210 69 C +ATOM 1227 O GLN A 80 6.876 5.922 -5.283 1.00 11.84 O +ANISOU 1227 O GLN A 80 2050 1896 554 -5 144 -28 O +ATOM 1228 CB GLN A 80 6.325 3.197 -3.568 1.00 14.36 C +ANISOU 1228 CB GLN A 80 2254 1991 1210 37 197 -70 C +ATOM 1229 CG GLN A 80 7.117 2.132 -2.798 1.00 15.08 C +ANISOU 1229 CG GLN A 80 2447 2253 1029 178 63 150 C +ATOM 1230 CD GLN A 80 8.591 2.127 -3.094 1.00 16.81 C +ANISOU 1230 CD GLN A 80 2416 2567 1404 389 250 63 C +ATOM 1231 NE2 GLN A 80 9.381 1.809 -2.115 1.00 17.77 N +ANISOU 1231 NE2 GLN A 80 2345 2814 1592 551 121 -363 N +ATOM 1232 OE1 GLN A 80 8.995 2.382 -4.176 1.00 18.46 O +ANISOU 1232 OE1 GLN A 80 2319 2583 2113 239 551 -157 O +ATOM 1233 H GLN A 80 5.967 4.468 -1.533 1.00 14.10 H +ATOM 1234 HA GLN A 80 7.776 4.580 -3.474 1.00 13.64 H +ATOM 1235 HB2 GLN A 80 5.396 3.134 -3.296 1.00 17.25 H +ATOM 1236 HB3 GLN A 80 6.407 3.005 -4.515 1.00 17.25 H +ATOM 1237 HG2 GLN A 80 7.009 2.291 -1.847 1.00 18.12 H +ATOM 1238 HG3 GLN A 80 6.768 1.257 -3.030 1.00 18.12 H +ATOM 1239 HE21 GLN A 80 9.053 1.615 -1.344 1.00 21.34 H +ATOM 1240 HE22 GLN A 80 10.232 1.793 -2.237 1.00 21.34 H +ATOM 1241 N THR A 81 5.182 6.338 -3.949 1.00 10.76 N +ANISOU 1241 N THR A 81 1753 1739 596 25 141 209 N +ATOM 1242 CA THR A 81 4.680 7.449 -4.731 1.00 10.15 C +ANISOU 1242 CA THR A 81 1621 1568 668 -17 68 366 C +ATOM 1243 C THR A 81 5.810 8.481 -4.719 1.00 10.84 C +ANISOU 1243 C THR A 81 1970 1563 586 -42 241 210 C +ATOM 1244 O THR A 81 6.232 9.016 -5.732 1.00 10.47 O +ANISOU 1244 O THR A 81 1777 1462 740 -32 160 102 O +ATOM 1245 CB THR A 81 3.416 8.055 -4.111 1.00 10.50 C +ANISOU 1245 CB THR A 81 1880 1458 652 1 155 297 C +ATOM 1246 CG2 THR A 81 2.962 9.265 -4.930 1.00 11.72 C +ANISOU 1246 CG2 THR A 81 1969 1472 1013 14 16 305 C +ATOM 1247 OG1 THR A 81 2.380 7.067 -4.117 1.00 12.40 O +ANISOU 1247 OG1 THR A 81 1960 1631 1120 -140 101 256 O +ATOM 1248 H THR A 81 4.710 6.165 -3.251 1.00 12.93 H +ATOM 1249 HA THR A 81 4.425 7.169 -5.624 1.00 12.21 H +ATOM 1250 HB THR A 81 3.591 8.344 -3.202 1.00 12.62 H +ATOM 1251 HG1 THR A 81 2.609 6.407 -3.650 1.00 14.90 H +ATOM 1252 HG21 THR A 81 2.054 9.507 -4.689 1.00 14.09 H +ATOM 1253 HG22 THR A 81 3.545 10.020 -4.757 1.00 14.09 H +ATOM 1254 HG23 THR A 81 2.991 9.055 -5.876 1.00 14.09 H +ATOM 1255 N GLY A 82 6.358 8.819 -3.506 1.00 10.40 N +ANISOU 1255 N GLY A 82 1823 1493 635 -67 -63 66 N +ATOM 1256 CA GLY A 82 7.444 9.772 -3.367 1.00 10.71 C +ANISOU 1256 CA GLY A 82 2040 1512 519 1 104 -4 C +ATOM 1257 C GLY A 82 8.696 9.347 -4.099 1.00 10.14 C +ANISOU 1257 C GLY A 82 1803 1523 525 110 105 238 C +ATOM 1258 O GLY A 82 9.377 10.175 -4.714 1.00 10.61 O +ANISOU 1258 O GLY A 82 1773 1667 590 -20 317 225 O +ATOM 1259 H GLY A 82 6.098 8.493 -2.754 1.00 12.50 H +ATOM 1260 HA2 GLY A 82 7.162 10.630 -3.720 1.00 12.88 H +ATOM 1261 HA3 GLY A 82 7.661 9.873 -2.427 1.00 12.88 H +ATOM 1262 N LYS A 83 9.027 8.081 -4.070 1.00 10.95 N +ANISOU 1262 N LYS A 83 1827 1661 674 173 300 215 N +ATOM 1263 CA LYS A 83 10.216 7.601 -4.750 1.00 12.04 C +ANISOU 1263 CA LYS A 83 1845 1794 936 341 207 -143 C +ATOM 1264 C LYS A 83 10.129 7.807 -6.254 1.00 11.68 C +ANISOU 1264 C LYS A 83 1759 1704 975 52 607 -180 C +ATOM 1265 O LYS A 83 11.086 8.158 -6.862 1.00 11.57 O +ANISOU 1265 O LYS A 83 1880 1474 1042 64 516 74 O +ATOM 1266 CB LYS A 83 10.452 6.110 -4.442 1.00 15.72 C +ANISOU 1266 CB LYS A 83 2348 2079 1545 863 589 152 C +ATOM 1267 CG LYS A 83 11.925 5.770 -4.714 1.00 21.83 C +ANISOU 1267 CG LYS A 83 3589 2294 2413 1133 1006 275 C +ATOM 1268 CD LYS A 83 12.164 4.333 -4.537 1.00 26.92 C +ANISOU 1268 CD LYS A 83 4472 2736 3019 1404 1109 353 C +ATOM 1269 CE LYS A 83 13.585 3.883 -4.841 1.00 29.32 C +ANISOU 1269 CE LYS A 83 4926 2916 3298 1636 998 494 C +ATOM 1270 NZ LYS A 83 13.571 2.442 -4.885 1.00 32.41 N1+ +ANISOU 1270 NZ LYS A 83 5738 3155 3422 1522 1115 576 N1+ +ATOM 1271 H LYS A 83 8.582 7.468 -3.663 1.00 13.17 H +ATOM 1272 HA LYS A 83 10.972 8.107 -4.415 1.00 14.47 H +ATOM 1273 HB2 LYS A 83 10.253 5.930 -3.510 1.00 18.88 H +ATOM 1274 HB3 LYS A 83 9.891 5.562 -5.013 1.00 18.88 H +ATOM 1275 HG2 LYS A 83 12.151 6.010 -5.626 1.00 26.22 H +ATOM 1276 HG3 LYS A 83 12.490 6.256 -4.093 1.00 26.22 H +ATOM 1277 HD2 LYS A 83 11.976 4.100 -3.614 1.00 32.32 H +ATOM 1278 HD3 LYS A 83 11.571 3.846 -5.130 1.00 32.32 H +ATOM 1279 HE2 LYS A 83 13.873 4.230 -5.700 1.00 35.20 H +ATOM 1280 HE3 LYS A 83 14.190 4.180 -4.143 1.00 35.20 H +ATOM 1281 HZ1 LYS A 83 14.169 2.114 -4.313 1.00 38.92 H +ATOM 1282 HZ2 LYS A 83 12.764 2.139 -4.665 1.00 38.92 H +ATOM 1283 HZ3 LYS A 83 13.771 2.161 -5.705 1.00 38.92 H +ATOM 1284 N SER A 84 8.968 7.522 -6.801 1.00 11.84 N +ANISOU 1284 N SER A 84 1740 1726 1034 82 347 5 N +ATOM 1285 CA ASER A 84 8.774 7.734 -8.234 0.56 11.75 C +ANISOU 1285 CA ASER A 84 1813 1708 944 -52 105 24 C +ATOM 1286 CA BSER A 84 8.748 7.734 -8.236 0.44 11.96 C +ANISOU 1286 CA BSER A 84 1890 1739 917 -50 123 105 C +ATOM 1287 C SER A 84 8.862 9.216 -8.581 1.00 10.54 C +ANISOU 1287 C SER A 84 1624 1653 728 -201 68 143 C +ATOM 1288 O SER A 84 9.502 9.564 -9.567 1.00 12.08 O +ANISOU 1288 O SER A 84 1926 1658 1005 -140 329 223 O +ATOM 1289 CB ASER A 84 7.450 7.111 -8.659 0.56 12.32 C +ANISOU 1289 CB ASER A 84 1808 1839 1034 -210 14 -118 C +ATOM 1290 CB BSER A 84 7.376 7.187 -8.657 0.44 12.98 C +ANISOU 1290 CB BSER A 84 2112 1921 899 -177 91 131 C +ATOM 1291 OG ASER A 84 7.531 5.712 -8.486 0.56 13.05 O +ANISOU 1291 OG ASER A 84 1873 1931 1154 -171 124 -336 O +ATOM 1292 OG BSER A 84 7.028 7.588 -9.985 0.44 14.37 O +ANISOU 1292 OG BSER A 84 2377 2089 995 -104 238 117 O +ATOM 1293 H ASER A 84 8.284 7.211 -6.382 0.56 14.23 H +ATOM 1294 H BSER A 84 8.289 7.207 -6.378 0.44 14.23 H +ATOM 1295 HA ASER A 84 9.473 7.289 -8.738 0.56 14.12 H +ATOM 1296 HA BSER A 84 9.422 7.246 -8.734 0.44 14.38 H +ATOM 1297 HB2ASER A 84 6.734 7.465 -8.109 0.56 14.81 H +ATOM 1298 HB2BSER A 84 7.402 6.218 -8.621 0.44 15.60 H +ATOM 1299 HB3ASER A 84 7.282 7.313 -9.593 0.56 14.81 H +ATOM 1300 HB3BSER A 84 6.704 7.524 -8.044 0.44 15.60 H +ATOM 1301 HG ASER A 84 8.155 5.400 -8.953 0.56 15.68 H +ATOM 1302 HG BSER A 84 6.262 7.303 -10.180 0.44 17.27 H +ATOM 1303 N ILE A 85 8.256 10.070 -7.774 1.00 10.53 N +ANISOU 1303 N ILE A 85 1795 1591 615 -143 158 221 N +ATOM 1304 CA ILE A 85 8.401 11.513 -7.953 1.00 10.35 C +ANISOU 1304 CA ILE A 85 1606 1708 618 -44 -135 239 C +ATOM 1305 C ILE A 85 9.852 11.931 -7.852 1.00 10.24 C +ANISOU 1305 C ILE A 85 1535 1702 655 -147 139 96 C +ATOM 1306 O ILE A 85 10.343 12.718 -8.668 1.00 10.88 O +ANISOU 1306 O ILE A 85 1603 1914 618 -49 141 284 O +ATOM 1307 CB ILE A 85 7.516 12.268 -6.953 1.00 11.27 C +ANISOU 1307 CB ILE A 85 1720 1768 794 -53 133 221 C +ATOM 1308 CG1 ILE A 85 6.037 12.018 -7.238 1.00 12.45 C +ANISOU 1308 CG1 ILE A 85 1992 1784 953 56 324 409 C +ATOM 1309 CG2 ILE A 85 7.814 13.800 -7.002 1.00 10.91 C +ANISOU 1309 CG2 ILE A 85 1391 1757 996 -147 263 84 C +ATOM 1310 CD1 ILE A 85 5.079 12.366 -6.094 1.00 12.80 C +ANISOU 1310 CD1 ILE A 85 1902 1833 1127 270 474 418 C +ATOM 1311 H ILE A 85 7.754 9.846 -7.113 1.00 12.66 H +ATOM 1312 HA ILE A 85 8.098 11.737 -8.847 1.00 12.44 H +ATOM 1313 HB ILE A 85 7.722 11.933 -6.066 1.00 13.55 H +ATOM 1314 HG12 ILE A 85 5.779 12.554 -8.004 1.00 14.96 H +ATOM 1315 HG13 ILE A 85 5.919 11.076 -7.437 1.00 14.96 H +ATOM 1316 HG21 ILE A 85 7.107 14.274 -6.537 1.00 13.11 H +ATOM 1317 HG22 ILE A 85 8.666 13.970 -6.570 1.00 13.11 H +ATOM 1318 HG23 ILE A 85 7.850 14.085 -7.928 1.00 13.11 H +ATOM 1319 HD11 ILE A 85 4.175 12.131 -6.356 1.00 15.38 H +ATOM 1320 HD12 ILE A 85 5.335 11.865 -5.304 1.00 15.38 H +ATOM 1321 HD13 ILE A 85 5.134 13.318 -5.914 1.00 15.38 H +ATOM 1322 N PHE A 86 10.568 11.408 -6.858 1.00 10.06 N +ANISOU 1322 N PHE A 86 1474 1745 602 5 -34 193 N +ATOM 1323 CA PHE A 86 11.980 11.728 -6.660 1.00 11.01 C +ANISOU 1323 CA PHE A 86 1667 1794 721 -92 -8 255 C +ATOM 1324 C PHE A 86 12.776 11.383 -7.903 1.00 11.47 C +ANISOU 1324 C PHE A 86 1783 1900 674 -67 -59 391 C +ATOM 1325 O PHE A 86 13.598 12.185 -8.361 1.00 12.20 O +ANISOU 1325 O PHE A 86 1980 1902 752 -233 259 360 O +ATOM 1326 CB PHE A 86 12.512 10.969 -5.431 1.00 10.95 C +ANISOU 1326 CB PHE A 86 1542 1879 741 -1 88 285 C +ATOM 1327 CG PHE A 86 14.005 10.995 -5.284 1.00 12.40 C +ANISOU 1327 CG PHE A 86 1652 2045 1015 -78 146 459 C +ATOM 1328 CD1 PHE A 86 14.654 12.068 -4.702 1.00 13.94 C +ANISOU 1328 CD1 PHE A 86 2021 2075 1201 -96 104 545 C +ATOM 1329 CD2 PHE A 86 14.755 9.930 -5.715 1.00 13.90 C +ANISOU 1329 CD2 PHE A 86 1763 2235 1282 -170 248 439 C +ATOM 1330 CE1 PHE A 86 16.053 12.072 -4.584 1.00 13.45 C +ANISOU 1330 CE1 PHE A 86 1991 2066 1055 -471 -186 595 C +ATOM 1331 CE2 PHE A 86 16.119 9.941 -5.594 1.00 14.36 C +ANISOU 1331 CE2 PHE A 86 1737 2366 1355 -134 -78 476 C +ATOM 1332 CZ PHE A 86 16.762 11.010 -5.021 1.00 14.07 C +ANISOU 1332 CZ PHE A 86 1969 2344 1032 -297 -80 740 C +ATOM 1333 H PHE A 86 10.257 10.857 -6.276 1.00 12.09 H +ATOM 1334 HA PHE A 86 12.085 12.677 -6.489 1.00 13.23 H +ATOM 1335 HB2 PHE A 86 12.132 11.368 -4.633 1.00 13.17 H +ATOM 1336 HB3 PHE A 86 12.240 10.040 -5.500 1.00 13.17 H +ATOM 1337 HD1 PHE A 86 14.161 12.791 -4.387 1.00 16.75 H +ATOM 1338 HD2 PHE A 86 14.333 9.193 -6.093 1.00 16.70 H +ATOM 1339 HE1 PHE A 86 16.489 12.802 -4.207 1.00 16.17 H +ATOM 1340 HE2 PHE A 86 16.615 9.217 -5.903 1.00 17.26 H +ATOM 1341 HZ PHE A 86 17.688 11.002 -4.934 1.00 16.90 H +ATOM 1342 N ASN A 87 12.517 10.211 -8.497 1.00 11.82 N +ANISOU 1342 N ASN A 87 1555 1858 1079 63 169 87 N +ATOM 1343 CA ASN A 87 13.274 9.815 -9.681 1.00 12.48 C +ANISOU 1343 CA ASN A 87 1609 2064 1067 215 93 128 C +ATOM 1344 C ASN A 87 13.017 10.769 -10.846 1.00 11.89 C +ANISOU 1344 C ASN A 87 1645 2065 807 165 219 83 C +ATOM 1345 O ASN A 87 13.952 11.157 -11.573 1.00 13.23 O +ANISOU 1345 O ASN A 87 1862 2276 888 3 416 234 O +ATOM 1346 CB ASN A 87 12.958 8.369 -10.056 1.00 15.14 C +ANISOU 1346 CB ASN A 87 2307 2176 1271 470 132 -89 C +ATOM 1347 CG ASN A 87 13.585 7.335 -9.093 1.00 18.58 C +ANISOU 1347 CG ASN A 87 3127 2374 1557 536 -80 -30 C +ATOM 1348 ND2 ASN A 87 13.025 6.141 -9.091 1.00 21.84 N +ANISOU 1348 ND2 ASN A 87 3942 2401 1955 727 655 117 N +ATOM 1349 OD1 ASN A 87 14.562 7.603 -8.395 1.00 22.74 O +ANISOU 1349 OD1 ASN A 87 3971 2426 2243 722 -384 57 O +ATOM 1350 H ASN A 87 11.924 9.645 -8.239 1.00 14.21 H +ATOM 1351 HA ASN A 87 14.222 9.855 -9.477 1.00 14.99 H +ATOM 1352 HB2 ASN A 87 11.996 8.244 -10.041 1.00 18.19 H +ATOM 1353 HB3 ASN A 87 13.302 8.193 -10.946 1.00 18.19 H +ATOM 1354 HD21 ASN A 87 13.330 5.524 -8.576 1.00 26.23 H +ATOM 1355 HD22 ASN A 87 12.355 5.980 -9.605 1.00 26.23 H +ATOM 1356 N ALA A 88 11.771 11.212 -11.007 1.00 11.47 N +ANISOU 1356 N ALA A 88 1558 2213 588 -31 142 -138 N +ATOM 1357 CA ALA A 88 11.448 12.202 -12.032 1.00 11.42 C +ANISOU 1357 CA ALA A 88 1665 2110 565 113 24 56 C +ATOM 1358 C ALA A 88 12.094 13.550 -11.722 1.00 11.18 C +ANISOU 1358 C ALA A 88 1607 2010 630 98 199 323 C +ATOM 1359 O ALA A 88 12.549 14.257 -12.631 1.00 12.67 O +ANISOU 1359 O ALA A 88 1980 2076 758 -35 163 503 O +ATOM 1360 CB ALA A 88 9.927 12.339 -12.160 1.00 13.01 C +ANISOU 1360 CB ALA A 88 1933 2030 982 123 -59 40 C +ATOM 1361 H ALA A 88 11.097 10.957 -10.538 1.00 13.79 H +ATOM 1362 HA ALA A 88 11.789 11.902 -12.889 1.00 13.73 H +ATOM 1363 HB1 ALA A 88 9.726 12.992 -12.849 1.00 15.64 H +ATOM 1364 HB2 ALA A 88 9.551 11.478 -12.401 1.00 15.64 H +ATOM 1365 HB3 ALA A 88 9.564 12.632 -11.310 1.00 15.64 H +ATOM 1366 N MET A 89 12.193 13.903 -10.440 1.00 11.20 N +ANISOU 1366 N MET A 89 1581 2043 633 49 161 342 N +ATOM 1367 CA MET A 89 12.834 15.147 -10.047 1.00 11.60 C +ANISOU 1367 CA MET A 89 1727 2017 664 28 140 391 C +ATOM 1368 C MET A 89 14.333 15.105 -10.323 1.00 12.09 C +ANISOU 1368 C MET A 89 1655 1942 998 -77 195 309 C +ATOM 1369 O MET A 89 14.919 16.097 -10.768 1.00 11.89 O +ANISOU 1369 O MET A 89 1654 1935 928 -112 60 308 O +ATOM 1370 CB MET A 89 12.541 15.416 -8.565 1.00 12.38 C +ANISOU 1370 CB MET A 89 1781 2060 864 -37 278 276 C +ATOM 1371 CG MET A 89 13.023 16.765 -8.071 1.00 13.09 C +ANISOU 1371 CG MET A 89 1930 2064 980 78 327 165 C +ATOM 1372 SD MET A 89 12.601 17.093 -6.366 1.00 14.31 S +ANISOU 1372 SD MET A 89 2153 2089 1197 -46 174 44 S +ATOM 1373 CE MET A 89 13.790 16.052 -5.557 1.00 14.32 C +ANISOU 1373 CE MET A 89 2479 2265 697 18 -238 249 C +ATOM 1374 H MET A 89 11.896 13.437 -9.781 1.00 13.47 H +ATOM 1375 HA MET A 89 12.460 15.881 -10.560 1.00 13.95 H +ATOM 1376 HB2 MET A 89 11.582 15.378 -8.427 1.00 14.88 H +ATOM 1377 HB3 MET A 89 12.980 14.734 -8.033 1.00 14.88 H +ATOM 1378 HG2 MET A 89 13.989 16.800 -8.150 1.00 15.73 H +ATOM 1379 HG3 MET A 89 12.620 17.460 -8.615 1.00 15.73 H +ATOM 1380 HE1 MET A 89 13.689 16.144 -4.597 1.00 17.21 H +ATOM 1381 HE2 MET A 89 13.634 15.131 -5.819 1.00 17.21 H +ATOM 1382 HE3 MET A 89 14.682 16.325 -5.823 1.00 17.21 H +ATOM 1383 N VAL A 90 14.967 13.957 -10.123 1.00 11.59 N +ANISOU 1383 N VAL A 90 1672 1825 906 -69 321 266 N +ATOM 1384 CA VAL A 90 16.384 13.814 -10.445 1.00 12.60 C +ANISOU 1384 CA VAL A 90 1689 2112 988 -51 369 403 C +ATOM 1385 C VAL A 90 16.606 14.017 -11.945 1.00 12.65 C +ANISOU 1385 C VAL A 90 1690 2193 923 -53 451 465 C +ATOM 1386 O VAL A 90 17.558 14.691 -12.371 1.00 13.27 O +ANISOU 1386 O VAL A 90 1622 2447 973 1 439 336 O +ATOM 1387 CB VAL A 90 16.926 12.454 -9.959 1.00 13.57 C +ANISOU 1387 CB VAL A 90 1751 2239 1165 132 317 472 C +ATOM 1388 CG1 VAL A 90 18.307 12.207 -10.519 1.00 15.76 C +ANISOU 1388 CG1 VAL A 90 2325 2327 1337 297 444 463 C +ATOM 1389 CG2 VAL A 90 16.973 12.379 -8.424 1.00 13.74 C +ANISOU 1389 CG2 VAL A 90 1701 2296 1222 6 106 323 C +ATOM 1390 H VAL A 90 14.604 13.246 -9.803 1.00 13.93 H +ATOM 1391 HA VAL A 90 16.877 14.503 -9.972 1.00 15.15 H +ATOM 1392 HB VAL A 90 16.322 11.764 -10.276 1.00 16.30 H +ATOM 1393 HG11 VAL A 90 18.722 11.481 -10.028 1.00 18.94 H +ATOM 1394 HG12 VAL A 90 18.230 11.970 -11.457 1.00 18.94 H +ATOM 1395 HG13 VAL A 90 18.835 13.015 -10.424 1.00 18.94 H +ATOM 1396 HG21 VAL A 90 17.311 11.509 -8.161 1.00 16.50 H +ATOM 1397 HG22 VAL A 90 17.560 13.076 -8.092 1.00 16.50 H +ATOM 1398 HG23 VAL A 90 16.077 12.506 -8.074 1.00 16.50 H +ATOM 1399 N ALA A 91 15.716 13.472 -12.776 1.00 13.01 N +ANISOU 1399 N ALA A 91 1624 2381 938 -129 346 42 N +ATOM 1400 CA ALA A 91 15.792 13.708 -14.221 1.00 14.35 C +ANISOU 1400 CA ALA A 91 2026 2540 886 -231 539 -111 C +ATOM 1401 C ALA A 91 15.612 15.185 -14.560 1.00 13.86 C +ANISOU 1401 C ALA A 91 1718 2664 885 -308 383 199 C +ATOM 1402 O ALA A 91 16.380 15.742 -15.348 1.00 15.01 O +ANISOU 1402 O ALA A 91 1927 2814 963 -303 362 310 O +ATOM 1403 CB ALA A 91 14.783 12.814 -14.942 1.00 16.81 C +ANISOU 1403 CB ALA A 91 2580 2589 1219 -99 870 -269 C +ATOM 1404 H ALA A 91 15.064 12.966 -12.533 1.00 15.63 H +ATOM 1405 HA ALA A 91 16.673 13.461 -14.544 1.00 17.24 H +ATOM 1406 HB1 ALA A 91 14.731 13.083 -15.873 1.00 20.19 H +ATOM 1407 HB2 ALA A 91 15.077 11.892 -14.880 1.00 20.19 H +ATOM 1408 HB3 ALA A 91 13.915 12.913 -14.520 1.00 20.19 H +ATOM 1409 N ALA A 92 14.664 15.858 -13.920 1.00 13.86 N +ANISOU 1409 N ALA A 92 1775 2640 853 -401 323 134 N +ATOM 1410 CA ALA A 92 14.483 17.284 -14.164 1.00 14.75 C +ANISOU 1410 CA ALA A 92 1864 2656 1083 -263 374 440 C +ATOM 1411 C ALA A 92 15.713 18.078 -13.763 1.00 13.74 C +ANISOU 1411 C ALA A 92 1921 2374 925 -254 228 574 C +ATOM 1412 O ALA A 92 16.114 19.015 -14.469 1.00 14.82 O +ANISOU 1412 O ALA A 92 1837 2594 1200 -370 214 767 O +ATOM 1413 CB ALA A 92 13.247 17.777 -13.418 1.00 14.77 C +ANISOU 1413 CB ALA A 92 1705 2752 1154 -158 548 435 C +ATOM 1414 H ALA A 92 14.119 15.519 -13.347 1.00 16.66 H +ATOM 1415 HA ALA A 92 14.342 17.428 -15.113 1.00 17.72 H +ATOM 1416 HB1 ALA A 92 13.143 18.729 -13.574 1.00 17.74 H +ATOM 1417 HB2 ALA A 92 12.469 17.301 -13.747 1.00 17.74 H +ATOM 1418 HB3 ALA A 92 13.362 17.608 -12.470 1.00 17.74 H +ATOM 1419 N PHE A 93 16.351 17.705 -12.659 1.00 13.77 N +ANISOU 1419 N PHE A 93 1972 2340 921 -172 176 540 N +ATOM 1420 CA PHE A 93 17.559 18.384 -12.213 1.00 13.39 C +ANISOU 1420 CA PHE A 93 1932 2269 885 -177 152 417 C +ATOM 1421 C PHE A 93 18.649 18.262 -13.256 1.00 13.36 C +ANISOU 1421 C PHE A 93 1702 2352 1024 -203 261 514 C +ATOM 1422 O PHE A 93 19.257 19.260 -13.650 1.00 15.34 O +ANISOU 1422 O PHE A 93 1941 2565 1321 -374 154 732 O +ATOM 1423 CB PHE A 93 18.013 17.799 -10.880 1.00 14.17 C +ANISOU 1423 CB PHE A 93 2084 2185 1114 -97 194 410 C +ATOM 1424 CG PHE A 93 19.319 18.330 -10.403 1.00 13.93 C +ANISOU 1424 CG PHE A 93 2248 2208 837 -261 103 527 C +ATOM 1425 CD1 PHE A 93 19.436 19.639 -9.993 1.00 15.58 C +ANISOU 1425 CD1 PHE A 93 2575 2370 975 -245 178 542 C +ATOM 1426 CD2 PHE A 93 20.429 17.500 -10.346 1.00 14.42 C +ANISOU 1426 CD2 PHE A 93 2170 2281 1029 -592 161 346 C +ATOM 1427 CE1 PHE A 93 20.656 20.130 -9.552 1.00 16.93 C +ANISOU 1427 CE1 PHE A 93 2719 2397 1316 -410 356 396 C +ATOM 1428 CE2 PHE A 93 21.640 17.978 -9.900 1.00 15.30 C +ANISOU 1428 CE2 PHE A 93 2418 2486 909 -409 154 415 C +ATOM 1429 CZ PHE A 93 21.749 19.296 -9.498 1.00 16.07 C +ANISOU 1429 CZ PHE A 93 2517 2447 1141 -421 63 423 C +ATOM 1430 H PHE A 93 16.104 17.059 -12.148 1.00 16.55 H +ATOM 1431 HA PHE A 93 17.372 19.326 -12.078 1.00 16.08 H +ATOM 1432 HB2 PHE A 93 17.346 18.005 -10.206 1.00 17.02 H +ATOM 1433 HB3 PHE A 93 18.102 16.838 -10.976 1.00 17.02 H +ATOM 1434 HD1 PHE A 93 18.693 20.197 -10.012 1.00 18.72 H +ATOM 1435 HD2 PHE A 93 20.354 16.612 -10.612 1.00 17.33 H +ATOM 1436 HE1 PHE A 93 20.735 21.020 -9.294 1.00 20.34 H +ATOM 1437 HE2 PHE A 93 22.381 17.417 -9.869 1.00 18.38 H +ATOM 1438 HZ PHE A 93 22.564 19.620 -9.190 1.00 19.30 H +ATOM 1439 N LYS A 94 18.912 17.050 -13.729 1.00 14.03 N +ANISOU 1439 N LYS A 94 1678 2496 1156 -79 358 588 N +ATOM 1440 CA LYS A 94 20.003 16.916 -14.675 1.00 16.85 C +ANISOU 1440 CA LYS A 94 2103 2813 1486 162 737 564 C +ATOM 1441 C LYS A 94 19.677 17.535 -16.028 1.00 16.02 C +ANISOU 1441 C LYS A 94 1987 2805 1294 50 630 560 C +ATOM 1442 O LYS A 94 20.614 17.881 -16.760 1.00 16.05 O +ANISOU 1442 O LYS A 94 1828 2890 1382 35 583 561 O +ATOM 1443 CB LYS A 94 20.505 15.486 -14.720 1.00 21.09 C +ANISOU 1443 CB LYS A 94 2907 3003 2102 353 1095 420 C +ATOM 1444 CG LYS A 94 19.591 14.538 -15.293 1.00 22.23 C +ANISOU 1444 CG LYS A 94 3117 3080 2251 307 798 192 C +ATOM 1445 CD LYS A 94 19.756 14.507 -16.767 1.00 24.67 C +ANISOU 1445 CD LYS A 94 4068 3123 2182 508 829 150 C +ATOM 1446 CE LYS A 94 18.992 13.327 -17.352 1.00 25.96 C +ANISOU 1446 CE LYS A 94 4502 3070 2290 533 858 204 C +ATOM 1447 NZ LYS A 94 19.022 13.377 -18.833 1.00 25.53 N1+ +ANISOU 1447 NZ LYS A 94 4604 3022 2075 540 854 107 N1+ +ATOM 1448 H LYS A 94 18.493 16.327 -13.527 1.00 16.86 H +ATOM 1449 HA LYS A 94 20.778 17.413 -14.369 1.00 20.24 H +ATOM 1450 HB2 LYS A 94 21.318 15.463 -15.249 1.00 25.32 H +ATOM 1451 HB3 LYS A 94 20.692 15.198 -13.813 1.00 25.32 H +ATOM 1452 HG2 LYS A 94 19.773 13.653 -14.940 1.00 26.70 H +ATOM 1453 HG3 LYS A 94 18.679 14.796 -15.087 1.00 26.70 H +ATOM 1454 HD2 LYS A 94 19.407 15.326 -17.152 1.00 29.62 H +ATOM 1455 HD3 LYS A 94 20.695 14.410 -16.989 1.00 29.62 H +ATOM 1456 HE2 LYS A 94 19.402 12.497 -17.062 1.00 31.17 H +ATOM 1457 HE3 LYS A 94 18.068 13.360 -17.059 1.00 31.17 H +ATOM 1458 HZ1 LYS A 94 18.648 14.132 -19.120 1.00 30.66 H +ATOM 1459 HZ2 LYS A 94 19.863 13.344 -19.122 1.00 30.66 H +ATOM 1460 HZ3 LYS A 94 18.573 12.686 -19.170 1.00 30.66 H +ATOM 1461 N ASN A 95 18.396 17.734 -16.349 1.00 16.10 N +ANISOU 1461 N ASN A 95 2205 2795 1117 244 541 467 N +ATOM 1462 CA ASN A 95 17.976 18.417 -17.566 1.00 15.98 C +ANISOU 1462 CA ASN A 95 2018 3028 1027 236 337 566 C +ATOM 1463 C ASN A 95 17.858 19.925 -17.403 1.00 16.39 C +ANISOU 1463 C ASN A 95 2218 2915 1093 114 233 745 C +ATOM 1464 O ASN A 95 17.610 20.622 -18.402 1.00 17.84 O +ANISOU 1464 O ASN A 95 2289 3093 1397 123 380 754 O +ATOM 1465 CB ASN A 95 16.662 17.839 -18.081 1.00 17.99 C +ANISOU 1465 CB ASN A 95 2163 3250 1424 141 397 199 C +ATOM 1466 CG ASN A 95 16.819 16.428 -18.573 1.00 20.80 C +ANISOU 1466 CG ASN A 95 2490 3522 1891 151 473 -32 C +ATOM 1467 ND2 ASN A 95 15.777 15.630 -18.446 1.00 20.76 N +ANISOU 1467 ND2 ASN A 95 2474 3545 1868 80 322 -355 N +ATOM 1468 OD1 ASN A 95 17.879 16.059 -19.080 1.00 22.16 O +ANISOU 1468 OD1 ASN A 95 2673 3646 2099 71 602 -133 O +ATOM 1469 H ASN A 95 17.737 17.474 -15.862 1.00 19.34 H +ATOM 1470 HA ASN A 95 18.647 18.255 -18.248 1.00 19.20 H +ATOM 1471 HB2 ASN A 95 16.011 17.838 -17.362 1.00 21.61 H +ATOM 1472 HB3 ASN A 95 16.342 18.383 -18.818 1.00 21.61 H +ATOM 1473 HD21 ASN A 95 15.825 14.815 -18.715 1.00 24.93 H +ATOM 1474 HD22 ASN A 95 15.050 15.925 -18.094 1.00 24.93 H +ATOM 1475 N GLY A 96 18.102 20.456 -16.209 1.00 16.61 N +ANISOU 1475 N GLY A 96 2275 2859 1178 17 306 807 N +ATOM 1476 CA GLY A 96 17.968 21.880 -15.947 1.00 17.64 C +ANISOU 1476 CA GLY A 96 2189 2931 1581 -111 594 617 C +ATOM 1477 C GLY A 96 16.556 22.400 -16.041 1.00 16.73 C +ANISOU 1477 C GLY A 96 2151 2884 1321 -131 598 691 C +ATOM 1478 O GLY A 96 16.347 23.591 -16.310 1.00 18.69 O +ANISOU 1478 O GLY A 96 2704 2868 1530 -59 686 736 O +ATOM 1479 H GLY A 96 18.351 20.003 -15.522 1.00 19.95 H +ATOM 1480 HA2 GLY A 96 18.295 22.065 -15.053 1.00 21.18 H +ATOM 1481 HA3 GLY A 96 18.508 22.368 -16.588 1.00 21.18 H +ATOM 1482 N ASP A 97 15.565 21.542 -15.808 1.00 15.33 N +ANISOU 1482 N ASP A 97 1944 2861 1021 -160 454 421 N +ATOM 1483 CA ASP A 97 14.163 21.941 -15.879 1.00 16.11 C +ANISOU 1483 CA ASP A 97 2079 2954 1088 -19 454 264 C +ATOM 1484 C ASP A 97 13.726 22.382 -14.485 1.00 14.50 C +ANISOU 1484 C ASP A 97 1980 2599 930 -217 451 360 C +ATOM 1485 O ASP A 97 13.127 21.628 -13.711 1.00 14.70 O +ANISOU 1485 O ASP A 97 2113 2547 925 -228 429 416 O +ATOM 1486 CB ASP A 97 13.295 20.782 -16.353 1.00 17.82 C +ANISOU 1486 CB ASP A 97 2368 3208 1193 173 279 49 C +ATOM 1487 CG ASP A 97 13.575 20.362 -17.769 1.00 20.54 C +ANISOU 1487 CG ASP A 97 2585 3535 1684 125 264 -102 C +ATOM 1488 OD1 ASP A 97 14.237 21.122 -18.511 1.00 21.72 O +ANISOU 1488 OD1 ASP A 97 3118 3702 1432 506 335 218 O +ATOM 1489 OD2 ASP A 97 13.093 19.260 -18.102 1.00 24.38 O1- +ANISOU 1489 OD2 ASP A 97 3114 3703 2445 58 908 -445 O1- +ATOM 1490 H ASP A 97 15.681 20.714 -15.605 1.00 18.42 H +ATOM 1491 HA ASP A 97 14.081 22.679 -16.503 1.00 19.35 H +ATOM 1492 HB2 ASP A 97 13.455 20.016 -15.779 1.00 21.40 H +ATOM 1493 HB3 ASP A 97 12.363 21.047 -16.301 1.00 21.40 H +ATOM 1494 N ASP A 98 14.020 23.641 -14.166 1.00 15.41 N +ANISOU 1494 N ASP A 98 2302 2613 941 -471 144 399 N +ATOM 1495 CA ASP A 98 13.841 24.128 -12.809 1.00 15.83 C +ANISOU 1495 CA ASP A 98 2524 2483 1008 -476 355 259 C +ATOM 1496 C ASP A 98 12.374 24.285 -12.431 1.00 13.51 C +ANISOU 1496 C ASP A 98 2282 2036 817 -249 268 174 C +ATOM 1497 O ASP A 98 12.025 24.110 -11.254 1.00 14.14 O +ANISOU 1497 O ASP A 98 2610 1982 782 -330 315 155 O +ATOM 1498 CB ASP A 98 14.561 25.470 -12.661 1.00 21.25 C +ANISOU 1498 CB ASP A 98 3369 2906 1798 -805 582 -99 C +ATOM 1499 CG ASP A 98 16.079 25.331 -12.598 1.00 25.91 C +ANISOU 1499 CG ASP A 98 3642 3333 2870 -988 688 -296 C +ATOM 1500 OD1 ASP A 98 16.599 24.195 -12.515 1.00 25.95 O +ANISOU 1500 OD1 ASP A 98 3325 3703 2833 -784 583 -374 O +ATOM 1501 OD2 ASP A 98 16.754 26.392 -12.630 1.00 30.26 O1- +ANISOU 1501 OD2 ASP A 98 4237 3543 3718 -1115 694 -454 O1- +ATOM 1502 H ASP A 98 14.323 24.228 -14.716 1.00 18.52 H +ATOM 1503 HA ASP A 98 14.229 23.484 -12.196 1.00 19.02 H +ATOM 1504 HB2 ASP A 98 14.344 26.029 -13.423 1.00 25.52 H +ATOM 1505 HB3 ASP A 98 14.266 25.897 -11.841 1.00 25.52 H +ATOM 1506 N ASP A 99 11.493 24.581 -13.390 1.00 12.91 N +ANISOU 1506 N ASP A 99 2200 1825 879 -116 -10 210 N +ATOM 1507 CA ASP A 99 10.067 24.667 -13.079 1.00 12.81 C +ANISOU 1507 CA ASP A 99 2261 1790 818 -13 56 255 C +ATOM 1508 C ASP A 99 9.488 23.293 -12.788 1.00 12.11 C +ANISOU 1508 C ASP A 99 2002 1807 792 1 302 437 C +ATOM 1509 O ASP A 99 8.673 23.131 -11.871 1.00 12.89 O +ANISOU 1509 O ASP A 99 1995 1907 995 -77 363 297 O +ATOM 1510 CB ASP A 99 9.336 25.389 -14.191 1.00 15.67 C +ANISOU 1510 CB ASP A 99 2680 1879 1395 161 -177 462 C +ATOM 1511 CG ASP A 99 9.769 26.833 -14.307 1.00 21.24 C +ANISOU 1511 CG ASP A 99 3838 2118 2115 -97 -300 564 C +ATOM 1512 OD1 ASP A 99 9.349 27.622 -13.449 1.00 26.41 O +ANISOU 1512 OD1 ASP A 99 5292 2121 2620 -104 79 525 O +ATOM 1513 OD2 ASP A 99 10.527 27.163 -15.238 1.00 23.49 O1- +ANISOU 1513 OD2 ASP A 99 3857 2168 2899 -650 -421 645 O1- +ATOM 1514 H ASP A 99 11.692 24.733 -14.213 1.00 15.51 H +ATOM 1515 HA ASP A 99 9.937 25.198 -12.277 1.00 15.40 H +ATOM 1516 HB2 ASP A 99 9.522 24.948 -15.035 1.00 18.82 H +ATOM 1517 HB3 ASP A 99 8.383 25.372 -14.011 1.00 18.82 H +ATOM 1518 N SER A 100 9.935 22.280 -13.512 1.00 11.65 N +ANISOU 1518 N SER A 100 1996 1712 717 60 85 294 N +ATOM 1519 CA SER A 100 9.547 20.922 -13.149 1.00 11.69 C +ANISOU 1519 CA SER A 100 2081 1683 678 -106 -89 375 C +ATOM 1520 C SER A 100 10.073 20.562 -11.768 1.00 11.06 C +ANISOU 1520 C SER A 100 1954 1674 575 -39 27 316 C +ATOM 1521 O SER A 100 9.334 20.026 -10.933 1.00 11.20 O +ANISOU 1521 O SER A 100 1993 1599 665 -99 -58 252 O +ATOM 1522 CB SER A 100 10.077 19.910 -14.153 1.00 12.27 C +ANISOU 1522 CB SER A 100 2264 1782 616 -51 -255 22 C +ATOM 1523 OG SER A 100 9.462 20.097 -15.397 1.00 15.57 O +ANISOU 1523 OG SER A 100 3025 1891 1001 157 -37 237 O +ATOM 1524 H SER A 100 10.449 22.346 -14.198 1.00 14.00 H +ATOM 1525 HA SER A 100 8.578 20.883 -13.156 1.00 14.05 H +ATOM 1526 HB2 SER A 100 11.035 20.029 -14.250 1.00 14.74 H +ATOM 1527 HB3 SER A 100 9.885 19.014 -13.834 1.00 14.74 H +ATOM 1528 HG SER A 100 9.766 19.546 -15.954 1.00 18.71 H +ATOM 1529 N PHE A 101 11.353 20.869 -11.495 1.00 10.59 N +ANISOU 1529 N PHE A 101 1640 1807 577 -226 89 192 N +ATOM 1530 CA PHE A 101 11.957 20.547 -10.195 1.00 11.86 C +ANISOU 1530 CA PHE A 101 1856 1903 748 -225 24 120 C +ATOM 1531 C PHE A 101 11.141 21.152 -9.057 1.00 11.94 C +ANISOU 1531 C PHE A 101 1978 1957 600 -139 -54 240 C +ATOM 1532 O PHE A 101 10.834 20.471 -8.073 1.00 11.91 O +ANISOU 1532 O PHE A 101 1815 1938 772 -221 275 443 O +ATOM 1533 CB PHE A 101 13.402 21.052 -10.154 1.00 11.69 C +ANISOU 1533 CB PHE A 101 1671 1857 913 -277 -38 212 C +ATOM 1534 CG PHE A 101 14.223 20.509 -9.007 1.00 12.28 C +ANISOU 1534 CG PHE A 101 1877 2016 772 -347 -129 115 C +ATOM 1535 CD1 PHE A 101 14.233 21.143 -7.780 1.00 13.31 C +ANISOU 1535 CD1 PHE A 101 2055 2047 955 -294 -295 -87 C +ATOM 1536 CD2 PHE A 101 14.995 19.382 -9.158 1.00 13.14 C +ANISOU 1536 CD2 PHE A 101 1992 2238 763 -106 -49 258 C +ATOM 1537 CE1 PHE A 101 15.002 20.648 -6.725 1.00 13.49 C +ANISOU 1537 CE1 PHE A 101 2059 2107 959 -219 -97 -38 C +ATOM 1538 CE2 PHE A 101 15.756 18.888 -8.096 1.00 13.23 C +ANISOU 1538 CE2 PHE A 101 1918 2251 856 69 -79 301 C +ATOM 1539 CZ PHE A 101 15.766 19.529 -6.894 1.00 14.24 C +ANISOU 1539 CZ PHE A 101 2154 2266 991 -65 -137 87 C +ATOM 1540 H PHE A 101 11.888 21.261 -12.042 1.00 12.73 H +ATOM 1541 HA PHE A 101 11.972 19.584 -10.080 1.00 14.25 H +ATOM 1542 HB2 PHE A 101 13.843 20.793 -10.978 1.00 14.05 H +ATOM 1543 HB3 PHE A 101 13.389 22.019 -10.073 1.00 14.05 H +ATOM 1544 HD1 PHE A 101 13.721 21.909 -7.655 1.00 15.99 H +ATOM 1545 HD2 PHE A 101 15.011 18.943 -9.978 1.00 15.79 H +ATOM 1546 HE1 PHE A 101 14.994 21.083 -5.903 1.00 16.21 H +ATOM 1547 HE2 PHE A 101 16.260 18.115 -8.210 1.00 15.89 H +ATOM 1548 HZ PHE A 101 16.288 19.207 -6.195 1.00 17.11 H +ATOM 1549 N GLU A 102 10.749 22.402 -9.188 1.00 11.54 N +ANISOU 1549 N GLU A 102 1963 1889 531 -127 33 142 N +ATOM 1550 CA GLU A 102 9.933 23.090 -8.174 1.00 12.51 C +ANISOU 1550 CA GLU A 102 2254 1879 622 -247 127 130 C +ATOM 1551 C GLU A 102 8.568 22.422 -7.977 1.00 11.57 C +ANISOU 1551 C GLU A 102 1895 1858 643 -196 373 73 C +ATOM 1552 O GLU A 102 8.119 22.331 -6.889 1.00 12.90 O +ANISOU 1552 O GLU A 102 2190 1944 768 -159 267 127 O +ATOM 1553 CB GLU A 102 9.763 24.571 -8.501 1.00 15.10 C +ANISOU 1553 CB GLU A 102 2817 2010 909 -329 118 -100 C +ATOM 1554 CG GLU A 102 11.077 25.326 -8.447 1.00 17.15 C +ANISOU 1554 CG GLU A 102 3088 2286 1142 -493 -89 -199 C +ATOM 1555 H GLU A 102 10.939 22.898 -9.865 1.00 13.86 H +ATOM 1556 HA GLU A 102 10.416 23.033 -7.335 1.00 15.04 H +ATOM 1557 HB2 GLU A 102 9.400 24.659 -9.396 1.00 18.14 H +ATOM 1558 HB3 GLU A 102 9.158 24.971 -7.857 1.00 18.14 H +ATOM 1559 HG2 GLU A 102 11.797 24.678 -8.501 1.00 20.60 H +ATOM 1560 HG3 GLU A 102 11.119 25.912 -9.219 1.00 20.60 H +ATOM 1561 N SER A 103 7.927 22.027 -9.040 1.00 12.21 N +ANISOU 1561 N SER A 103 2044 1849 746 -55 373 136 N +ATOM 1562 CA SER A 103 6.660 21.308 -8.919 1.00 11.56 C +ANISOU 1562 CA SER A 103 1773 1889 732 36 194 291 C +ATOM 1563 C SER A 103 6.849 19.991 -8.168 1.00 11.63 C +ANISOU 1563 C SER A 103 1681 1893 844 -14 186 215 C +ATOM 1564 O SER A 103 6.063 19.645 -7.274 1.00 12.33 O +ANISOU 1564 O SER A 103 1847 1828 1009 123 316 312 O +ATOM 1565 CB SER A 103 6.080 21.050 -10.322 1.00 11.58 C +ANISOU 1565 CB SER A 103 1546 2052 803 90 307 392 C +ATOM 1566 OG SER A 103 4.844 20.352 -10.277 1.00 13.34 O +ANISOU 1566 OG SER A 103 1910 2204 953 -128 107 313 O +ATOM 1567 H SER A 103 8.190 22.154 -9.849 1.00 14.67 H +ATOM 1568 HA SER A 103 6.031 21.852 -8.420 1.00 13.90 H +ATOM 1569 HB2 SER A 103 5.937 21.904 -10.760 1.00 13.92 H +ATOM 1570 HB3 SER A 103 6.716 20.520 -10.827 1.00 13.92 H +ATOM 1571 HG SER A 103 4.571 20.201 -11.057 1.00 16.03 H +ATOM 1572 N TYR A 104 7.877 19.235 -8.525 1.00 11.22 N +ANISOU 1572 N TYR A 104 1631 1978 654 58 228 230 N +ATOM 1573 CA TYR A 104 8.152 17.989 -7.821 1.00 11.29 C +ANISOU 1573 CA TYR A 104 1562 1892 836 79 289 371 C +ATOM 1574 C TYR A 104 8.451 18.230 -6.343 1.00 12.17 C +ANISOU 1574 C TYR A 104 1862 1892 869 -126 276 322 C +ATOM 1575 O TYR A 104 8.035 17.429 -5.489 1.00 12.41 O +ANISOU 1575 O TYR A 104 2100 1777 838 -304 181 370 O +ATOM 1576 CB TYR A 104 9.320 17.287 -8.487 1.00 11.06 C +ANISOU 1576 CB TYR A 104 1604 1824 774 165 362 253 C +ATOM 1577 CG TYR A 104 9.040 16.702 -9.852 1.00 11.72 C +ANISOU 1577 CG TYR A 104 1821 1760 871 61 60 270 C +ATOM 1578 CD1 TYR A 104 7.925 15.913 -10.093 1.00 12.22 C +ANISOU 1578 CD1 TYR A 104 1964 1566 1112 128 262 54 C +ATOM 1579 CD2 TYR A 104 9.923 16.925 -10.902 1.00 12.90 C +ANISOU 1579 CD2 TYR A 104 2058 1855 988 176 489 233 C +ATOM 1580 CE1 TYR A 104 7.699 15.352 -11.345 1.00 11.69 C +ANISOU 1580 CE1 TYR A 104 1803 1798 842 43 151 237 C +ATOM 1581 CE2 TYR A 104 9.715 16.369 -12.134 1.00 12.48 C +ANISOU 1581 CE2 TYR A 104 1758 1934 1049 339 325 194 C +ATOM 1582 CZ TYR A 104 8.597 15.612 -12.370 1.00 12.43 C +ANISOU 1582 CZ TYR A 104 2040 1932 750 129 84 216 C +ATOM 1583 OH TYR A 104 8.341 15.075 -13.613 1.00 13.42 O +ANISOU 1583 OH TYR A 104 2132 2034 933 274 -80 221 O +ATOM 1584 H TYR A 104 8.425 19.416 -9.163 1.00 13.49 H +ATOM 1585 HA TYR A 104 7.370 17.418 -7.873 1.00 13.57 H +ATOM 1586 HB2 TYR A 104 10.041 17.927 -8.591 1.00 13.29 H +ATOM 1587 HB3 TYR A 104 9.604 16.558 -7.914 1.00 13.29 H +ATOM 1588 HD1 TYR A 104 7.318 15.757 -9.406 1.00 14.68 H +ATOM 1589 HD2 TYR A 104 10.669 17.462 -10.764 1.00 15.50 H +ATOM 1590 HE1 TYR A 104 6.957 14.811 -11.493 1.00 14.05 H +ATOM 1591 HE2 TYR A 104 10.334 16.505 -12.814 1.00 15.00 H +ATOM 1592 HH TYR A 104 8.947 15.295 -14.151 1.00 16.13 H +ATOM 1593 N LEU A 105 9.167 19.309 -5.997 1.00 12.70 N +ANISOU 1593 N LEU A 105 1875 2031 920 -308 -47 353 N +ATOM 1594 CA LEU A 105 9.456 19.584 -4.585 1.00 13.24 C +ANISOU 1594 CA LEU A 105 1999 2070 963 -336 -206 350 C +ATOM 1595 C LEU A 105 8.172 19.761 -3.809 1.00 13.29 C +ANISOU 1595 C LEU A 105 2138 2016 894 -353 -185 292 C +ATOM 1596 O LEU A 105 8.028 19.257 -2.688 1.00 14.01 O +ANISOU 1596 O LEU A 105 2465 2102 755 -610 -24 172 O +ATOM 1597 CB LEU A 105 10.261 20.879 -4.434 1.00 14.44 C +ANISOU 1597 CB LEU A 105 2314 2235 939 -540 126 335 C +ATOM 1598 CG LEU A 105 11.754 20.810 -4.724 1.00 16.30 C +ANISOU 1598 CG LEU A 105 2669 2352 1173 -338 32 294 C +ATOM 1599 CD1 LEU A 105 12.350 22.223 -4.713 1.00 16.69 C +ANISOU 1599 CD1 LEU A 105 2530 2432 1378 -554 195 5 C +ATOM 1600 CD2 LEU A 105 12.443 19.943 -3.707 1.00 16.45 C +ANISOU 1600 CD2 LEU A 105 2909 2242 1098 -207 -528 486 C +ATOM 1601 H LEU A 105 9.490 19.885 -6.549 1.00 15.26 H +ATOM 1602 HA LEU A 105 9.973 18.840 -4.239 1.00 15.91 H +ATOM 1603 HB2 LEU A 105 9.886 21.535 -5.042 1.00 17.36 H +ATOM 1604 HB3 LEU A 105 10.166 21.183 -3.518 1.00 17.36 H +ATOM 1605 HG LEU A 105 11.898 20.419 -5.600 1.00 19.58 H +ATOM 1606 HD11 LEU A 105 13.294 22.169 -4.930 1.00 20.05 H +ATOM 1607 HD12 LEU A 105 11.889 22.765 -5.372 1.00 20.05 H +ATOM 1608 HD13 LEU A 105 12.235 22.607 -3.830 1.00 20.05 H +ATOM 1609 HD21 LEU A 105 13.403 20.030 -3.817 1.00 19.76 H +ATOM 1610 HD22 LEU A 105 12.184 20.232 -2.818 1.00 19.76 H +ATOM 1611 HD23 LEU A 105 12.176 19.021 -3.846 1.00 19.76 H +ATOM 1612 N GLN A 106 7.227 20.455 -4.390 1.00 12.87 N +ANISOU 1612 N GLN A 106 2132 1952 807 -302 -163 61 N +ATOM 1613 CA GLN A 106 5.968 20.667 -3.736 1.00 12.93 C +ANISOU 1613 CA GLN A 106 2195 1934 782 -242 73 -64 C +ATOM 1614 C GLN A 106 5.226 19.354 -3.529 1.00 12.72 C +ANISOU 1614 C GLN A 106 2219 1957 658 -205 318 4 C +ATOM 1615 O GLN A 106 4.690 19.117 -2.475 1.00 13.60 O +ANISOU 1615 O GLN A 106 2236 1968 964 -139 320 116 O +ATOM 1616 CB GLN A 106 5.159 21.674 -4.512 1.00 16.38 C +ANISOU 1616 CB GLN A 106 2663 2100 1462 -69 489 25 C +ATOM 1617 CG GLN A 106 5.754 23.068 -4.493 1.00 20.04 C +ANISOU 1617 CG GLN A 106 3454 2189 1971 -216 643 -53 C +ATOM 1618 H GLN A 106 7.290 20.816 -5.168 1.00 15.47 H +ATOM 1619 HA GLN A 106 6.114 21.042 -2.853 1.00 15.53 H +ATOM 1620 HB2 GLN A 106 5.105 21.386 -5.437 1.00 19.68 H +ATOM 1621 HB3 GLN A 106 4.270 21.725 -4.127 1.00 19.68 H +ATOM 1622 HG2 GLN A 106 6.553 23.076 -5.043 1.00 24.07 H +ATOM 1623 HG3 GLN A 106 5.102 23.693 -4.847 1.00 24.07 H +ATOM 1624 N ALA A 107 5.235 18.505 -4.530 1.00 12.62 N +ANISOU 1624 N ALA A 107 2061 2004 730 -199 260 -2 N +ATOM 1625 CA ALA A 107 4.590 17.202 -4.409 1.00 12.76 C +ANISOU 1625 CA ALA A 107 1991 1991 866 -425 236 143 C +ATOM 1626 C ALA A 107 5.282 16.334 -3.361 1.00 13.01 C +ANISOU 1626 C ALA A 107 2166 1969 809 -476 68 413 C +ATOM 1627 O ALA A 107 4.627 15.622 -2.589 1.00 13.44 O +ANISOU 1627 O ALA A 107 2066 2017 1023 -315 215 288 O +ATOM 1628 CB ALA A 107 4.541 16.512 -5.777 1.00 12.56 C +ANISOU 1628 CB ALA A 107 1868 2039 864 -58 133 78 C +ATOM 1629 H ALA A 107 5.604 18.649 -5.293 1.00 15.17 H +ATOM 1630 HA ALA A 107 3.674 17.326 -4.116 1.00 15.33 H +ATOM 1631 HB1 ALA A 107 4.113 15.647 -5.679 1.00 15.09 H +ATOM 1632 HB2 ALA A 107 4.033 17.065 -6.391 1.00 15.09 H +ATOM 1633 HB3 ALA A 107 5.446 16.398 -6.106 1.00 15.09 H +ATOM 1634 N LEU A 108 6.601 16.392 -3.295 1.00 12.40 N +ANISOU 1634 N LEU A 108 1847 1881 984 -344 4 607 N +ATOM 1635 CA LEU A 108 7.312 15.602 -2.295 1.00 12.06 C +ANISOU 1635 CA LEU A 108 1742 1982 857 -351 23 364 C +ATOM 1636 C LEU A 108 7.057 16.091 -0.878 1.00 13.81 C +ANISOU 1636 C LEU A 108 2147 2100 999 -317 162 409 C +ATOM 1637 O LEU A 108 7.029 15.285 0.050 1.00 14.40 O +ANISOU 1637 O LEU A 108 2145 2195 1133 -244 401 703 O +ATOM 1638 CB LEU A 108 8.806 15.644 -2.600 1.00 14.14 C +ANISOU 1638 CB LEU A 108 2217 2062 1092 -420 104 197 C +ATOM 1639 CG LEU A 108 9.153 14.666 -3.696 1.00 14.98 C +ANISOU 1639 CG LEU A 108 2307 2110 1276 -444 373 -166 C +ATOM 1640 CD1 LEU A 108 10.588 14.817 -4.111 1.00 17.01 C +ANISOU 1640 CD1 LEU A 108 2567 2333 1562 -441 585 -375 C +ATOM 1641 CD2 LEU A 108 8.908 13.224 -3.274 1.00 18.55 C +ANISOU 1641 CD2 LEU A 108 2615 2112 2320 -346 545 -186 C +ATOM 1642 H LEU A 108 7.102 16.870 -3.805 1.00 14.91 H +ATOM 1643 HA LEU A 108 7.000 14.685 -2.343 1.00 14.49 H +ATOM 1644 HB2 LEU A 108 9.051 16.536 -2.892 1.00 16.99 H +ATOM 1645 HB3 LEU A 108 9.305 15.406 -1.803 1.00 16.99 H +ATOM 1646 HG LEU A 108 8.575 14.863 -4.450 1.00 18.00 H +ATOM 1647 HD11 LEU A 108 10.756 14.248 -4.879 1.00 20.43 H +ATOM 1648 HD12 LEU A 108 10.754 15.744 -4.343 1.00 20.43 H +ATOM 1649 HD13 LEU A 108 11.160 14.554 -3.373 1.00 20.43 H +ATOM 1650 HD21 LEU A 108 9.479 12.640 -3.798 1.00 22.28 H +ATOM 1651 HD22 LEU A 108 9.116 13.131 -2.331 1.00 22.28 H +ATOM 1652 HD23 LEU A 108 7.977 13.003 -3.430 1.00 22.28 H +ATOM 1653 N GLU A 109 6.888 17.393 -0.671 1.00 13.17 N +ANISOU 1653 N GLU A 109 2146 2011 848 -260 -73 247 N +ATOM 1654 CA GLU A 109 6.500 17.863 0.655 1.00 13.73 C +ANISOU 1654 CA GLU A 109 2301 2149 767 -328 -107 107 C +ATOM 1655 C GLU A 109 5.160 17.274 1.069 1.00 12.97 C +ANISOU 1655 C GLU A 109 2145 1985 797 -333 69 120 C +ATOM 1656 O GLU A 109 4.993 16.848 2.214 1.00 13.74 O +ANISOU 1656 O GLU A 109 2126 2083 1013 -149 216 394 O +ATOM 1657 CB GLU A 109 6.475 19.387 0.644 1.00 19.12 C +ANISOU 1657 CB GLU A 109 3043 2478 1744 -377 236 175 C +ATOM 1658 CG GLU A 109 7.883 19.971 0.621 1.00 25.69 C +ANISOU 1658 CG GLU A 109 3890 2737 3134 -438 844 97 C +ATOM 1659 CD GLU A 109 7.900 21.472 0.519 1.00 34.28 C +ANISOU 1659 CD GLU A 109 5195 2977 4854 -446 1148 -30 C +ATOM 1660 OE1 GLU A 109 6.808 22.075 0.440 1.00 37.35 O +ANISOU 1660 OE1 GLU A 109 5743 2992 5456 -494 851 105 O +ATOM 1661 OE2 GLU A 109 9.013 22.041 0.521 1.00 37.82 O1- +ANISOU 1661 OE2 GLU A 109 5665 3157 5546 -374 1221 -150 O1- +ATOM 1662 H GLU A 109 6.988 18.008 -1.263 1.00 15.83 H +ATOM 1663 HA GLU A 109 7.148 17.580 1.319 1.00 16.50 H +ATOM 1664 HB2 GLU A 109 6.004 19.694 -0.147 1.00 22.97 H +ATOM 1665 HB3 GLU A 109 6.025 19.706 1.442 1.00 22.97 H +ATOM 1666 HG2 GLU A 109 8.340 19.723 1.440 1.00 30.85 H +ATOM 1667 HG3 GLU A 109 8.359 19.615 -0.146 1.00 30.85 H +ATOM 1668 N LYS A 110 4.208 17.173 0.164 1.00 12.51 N +ANISOU 1668 N LYS A 110 2190 1799 765 -464 14 -7 N +ATOM 1669 CA LYS A 110 2.912 16.629 0.493 1.00 13.89 C +ANISOU 1669 CA LYS A 110 2187 1919 1170 -273 59 93 C +ATOM 1670 C LYS A 110 3.028 15.114 0.801 1.00 12.72 C +ANISOU 1670 C LYS A 110 1921 1772 1139 -331 497 176 C +ATOM 1671 O LYS A 110 2.420 14.643 1.721 1.00 13.14 O +ANISOU 1671 O LYS A 110 2259 1679 1054 -67 491 122 O +ATOM 1672 CB LYS A 110 1.959 16.887 -0.661 1.00 17.24 C +ANISOU 1672 CB LYS A 110 2909 2177 1465 -61 -201 170 C +ATOM 1673 CG LYS A 110 1.732 18.349 -0.847 1.00 24.75 C +ANISOU 1673 CG LYS A 110 4269 2505 2629 114 378 65 C +ATOM 1674 CD LYS A 110 0.692 18.926 0.044 1.00 31.36 C +ANISOU 1674 CD LYS A 110 5521 2713 3683 147 789 -29 C +ATOM 1675 CE LYS A 110 0.609 20.412 -0.270 1.00 35.76 C +ANISOU 1675 CE LYS A 110 6285 2812 4490 60 1029 -110 C +ATOM 1676 NZ LYS A 110 1.564 21.248 0.527 1.00 37.63 N1+ +ANISOU 1676 NZ LYS A 110 6716 2870 4710 46 1203 -59 N1+ +ATOM 1677 H LYS A 110 4.289 17.417 -0.657 1.00 15.04 H +ATOM 1678 HA LYS A 110 2.562 17.081 1.290 1.00 16.69 H +ATOM 1679 HB2 LYS A 110 2.340 16.529 -1.478 1.00 20.71 H +ATOM 1680 HB3 LYS A 110 1.106 16.466 -0.473 1.00 20.71 H +ATOM 1681 HG2 LYS A 110 2.563 18.817 -0.673 1.00 29.72 H +ATOM 1682 HG3 LYS A 110 1.454 18.505 -1.764 1.00 29.72 H +ATOM 1683 HD2 LYS A 110 -0.168 18.515 -0.137 1.00 37.66 H +ATOM 1684 HD3 LYS A 110 0.947 18.811 0.973 1.00 37.66 H +ATOM 1685 HE2 LYS A 110 0.810 20.546 -1.210 1.00 42.93 H +ATOM 1686 HE3 LYS A 110 -0.289 20.723 -0.079 1.00 42.93 H +ATOM 1687 HZ1 LYS A 110 1.108 21.646 1.272 1.00 45.17 H +ATOM 1688 HZ2 LYS A 110 2.283 20.704 0.855 1.00 45.17 H +ATOM 1689 HZ3 LYS A 110 1.926 21.945 -0.025 1.00 45.17 H +ATOM 1690 N VAL A 111 3.821 14.383 0.036 1.00 13.89 N +ANISOU 1690 N VAL A 111 2204 1925 1149 66 666 162 N +ATOM 1691 CA VAL A 111 4.022 12.967 0.292 1.00 15.34 C +ANISOU 1691 CA VAL A 111 2596 1913 1318 87 721 57 C +ATOM 1692 C VAL A 111 4.750 12.757 1.606 1.00 15.44 C +ANISOU 1692 C VAL A 111 2441 1819 1607 246 1109 308 C +ATOM 1693 O VAL A 111 4.419 11.849 2.369 1.00 15.75 O +ANISOU 1693 O VAL A 111 2567 1772 1645 65 1080 402 O +ATOM 1694 CB VAL A 111 4.795 12.322 -0.874 1.00 21.07 C +ANISOU 1694 CB VAL A 111 3901 2087 2016 17 431 -19 C +ATOM 1695 CG1 VAL A 111 5.162 10.899 -0.494 1.00 23.39 C +ANISOU 1695 CG1 VAL A 111 4384 2290 2212 32 667 201 C +ATOM 1696 CG2 VAL A 111 3.982 12.371 -2.123 1.00 22.58 C +ANISOU 1696 CG2 VAL A 111 4170 2166 2243 -159 119 -295 C +ATOM 1697 H VAL A 111 4.260 14.685 -0.639 1.00 16.69 H +ATOM 1698 HA VAL A 111 3.151 12.545 0.358 1.00 18.42 H +ATOM 1699 HB VAL A 111 5.614 12.811 -1.051 1.00 25.30 H +ATOM 1700 HG11 VAL A 111 5.417 10.414 -1.294 1.00 28.08 H +ATOM 1701 HG12 VAL A 111 5.904 10.920 0.130 1.00 28.08 H +ATOM 1702 HG13 VAL A 111 4.394 10.474 -0.081 1.00 28.08 H +ATOM 1703 HG21 VAL A 111 4.479 11.948 -2.840 1.00 27.12 H +ATOM 1704 HG22 VAL A 111 3.148 11.899 -1.975 1.00 27.12 H +ATOM 1705 HG23 VAL A 111 3.802 13.298 -2.347 1.00 27.12 H +ATOM 1706 N THR A 112 5.760 13.571 1.882 1.00 13.49 N +ANISOU 1706 N THR A 112 2120 1847 1158 256 613 599 N +ATOM 1707 CA THR A 112 6.508 13.431 3.122 1.00 13.70 C +ANISOU 1707 CA THR A 112 2072 2037 1098 239 358 729 C +ATOM 1708 C THR A 112 5.590 13.599 4.328 1.00 13.74 C +ANISOU 1708 C THR A 112 2134 2016 1069 189 387 684 C +ATOM 1709 O THR A 112 5.685 12.841 5.289 1.00 15.04 O +ANISOU 1709 O THR A 112 2318 2037 1361 159 634 752 O +ATOM 1710 CB THR A 112 7.633 14.455 3.163 1.00 14.79 C +ANISOU 1710 CB THR A 112 2070 2495 1056 54 502 584 C +ATOM 1711 CG2 THR A 112 8.365 14.425 4.481 1.00 15.35 C +ANISOU 1711 CG2 THR A 112 2178 2565 1088 -61 466 641 C +ATOM 1712 OG1 THR A 112 8.590 14.173 2.140 1.00 16.58 O +ANISOU 1712 OG1 THR A 112 2281 2923 1097 58 50 660 O +ATOM 1713 H THR A 112 6.031 14.208 1.372 1.00 16.21 H +ATOM 1714 HA THR A 112 6.903 12.546 3.160 1.00 16.47 H +ATOM 1715 HB THR A 112 7.239 15.332 3.037 1.00 17.77 H +ATOM 1716 HG1 THR A 112 8.216 14.178 1.388 1.00 19.92 H +ATOM 1717 HG21 THR A 112 9.177 14.952 4.422 1.00 18.44 H +ATOM 1718 HG22 THR A 112 7.803 14.791 5.181 1.00 18.44 H +ATOM 1719 HG23 THR A 112 8.599 13.512 4.710 1.00 18.44 H +ATOM 1720 N ALA A 113 4.683 14.581 4.298 1.00 13.75 N +ANISOU 1720 N ALA A 113 2200 1913 1112 -103 370 556 N +ATOM 1721 CA ALA A 113 3.740 14.755 5.397 1.00 13.85 C +ANISOU 1721 CA ALA A 113 2213 1900 1151 -103 400 536 C +ATOM 1722 C ALA A 113 2.877 13.521 5.575 1.00 13.09 C +ANISOU 1722 C ALA A 113 2061 1936 976 50 469 515 C +ATOM 1723 O ALA A 113 2.613 13.107 6.712 1.00 13.18 O +ANISOU 1723 O ALA A 113 2091 1966 949 102 546 453 O +ATOM 1724 CB ALA A 113 2.882 15.988 5.152 1.00 14.06 C +ANISOU 1724 CB ALA A 113 2291 1891 1159 155 327 518 C +ATOM 1725 H ALA A 113 4.596 15.151 3.660 1.00 16.52 H +ATOM 1726 HA ALA A 113 4.233 14.894 6.221 1.00 16.65 H +ATOM 1727 HB1 ALA A 113 2.258 16.090 5.888 1.00 16.89 H +ATOM 1728 HB2 ALA A 113 3.457 16.767 5.096 1.00 16.89 H +ATOM 1729 HB3 ALA A 113 2.396 15.875 4.320 1.00 16.89 H +ATOM 1730 N LYS A 114 2.412 12.917 4.481 1.00 13.13 N +ANISOU 1730 N LYS A 114 1979 2020 991 248 411 542 N +ATOM 1731 CA LYS A 114 1.609 11.705 4.621 1.00 13.84 C +ANISOU 1731 CA LYS A 114 2163 1967 1127 228 673 256 C +ATOM 1732 C LYS A 114 2.427 10.589 5.261 1.00 13.49 C +ANISOU 1732 C LYS A 114 2224 1844 1056 120 731 301 C +ATOM 1733 O LYS A 114 1.926 9.854 6.127 1.00 14.98 O +ANISOU 1733 O LYS A 114 2572 1790 1330 105 937 301 O +ATOM 1734 CB LYS A 114 1.049 11.245 3.270 1.00 15.59 C +ANISOU 1734 CB LYS A 114 2315 2094 1514 362 524 163 C +ATOM 1735 CG LYS A 114 0.037 12.202 2.638 1.00 16.73 C +ANISOU 1735 CG LYS A 114 2668 2189 1498 330 181 -134 C +ATOM 1736 CD LYS A 114 -0.143 11.918 1.156 1.00 19.25 C +ANISOU 1736 CD LYS A 114 3064 2392 1860 422 207 -140 C +ATOM 1737 CE LYS A 114 -1.422 12.510 0.627 1.00 19.99 C +ANISOU 1737 CE LYS A 114 3414 2601 1581 428 200 -280 C +ATOM 1738 NZ LYS A 114 -1.725 11.968 -0.715 1.00 23.39 N1+ +ANISOU 1738 NZ LYS A 114 4168 2833 1886 583 389 -376 N1+ +ATOM 1739 H LYS A 114 2.543 13.180 3.673 1.00 15.78 H +ATOM 1740 HA LYS A 114 0.850 11.909 5.190 1.00 16.62 H +ATOM 1741 HB2 LYS A 114 1.787 11.147 2.648 1.00 18.73 H +ATOM 1742 HB3 LYS A 114 0.605 10.392 3.395 1.00 18.73 H +ATOM 1743 HG2 LYS A 114 -0.822 12.097 3.076 1.00 20.09 H +ATOM 1744 HG3 LYS A 114 0.351 13.114 2.738 1.00 20.09 H +ATOM 1745 HD2 LYS A 114 0.598 12.305 0.663 1.00 23.13 H +ATOM 1746 HD3 LYS A 114 -0.171 10.959 1.015 1.00 23.13 H +ATOM 1747 HE2 LYS A 114 -2.154 12.288 1.223 1.00 24.01 H +ATOM 1748 HE3 LYS A 114 -1.331 13.473 0.558 1.00 24.01 H +ATOM 1749 HZ1 LYS A 114 -2.482 12.321 -1.022 1.00 28.09 H +ATOM 1750 HZ2 LYS A 114 -1.065 12.165 -1.279 1.00 28.09 H +ATOM 1751 HZ3 LYS A 114 -1.815 11.084 -0.673 1.00 28.09 H +ATOM 1752 N GLY A 115 3.717 10.478 4.908 1.00 13.19 N +ANISOU 1752 N GLY A 115 2125 1738 1147 323 798 303 N +ATOM 1753 CA GLY A 115 4.561 9.450 5.494 1.00 13.13 C +ANISOU 1753 CA GLY A 115 2352 1536 1102 339 301 229 C +ATOM 1754 C GLY A 115 4.898 9.723 6.942 1.00 11.80 C +ANISOU 1754 C GLY A 115 2109 1484 891 300 592 277 C +ATOM 1755 O GLY A 115 5.012 8.789 7.748 1.00 12.64 O +ANISOU 1755 O GLY A 115 2444 1329 1028 303 644 338 O +ATOM 1756 H GLY A 115 4.116 10.983 4.338 1.00 15.85 H +ATOM 1757 HA2 GLY A 115 4.105 8.596 5.444 1.00 15.78 H +ATOM 1758 HA3 GLY A 115 5.390 9.395 4.994 1.00 15.78 H +ATOM 1759 N GLU A 116 5.044 10.990 7.320 1.00 13.53 N +ANISOU 1759 N GLU A 116 2376 1565 1198 380 678 461 N +ATOM 1760 CA GLU A 116 5.344 11.332 8.710 1.00 13.79 C +ANISOU 1760 CA GLU A 116 2334 1627 1278 122 395 311 C +ATOM 1761 C GLU A 116 4.202 10.912 9.629 1.00 11.67 C +ANISOU 1761 C GLU A 116 2282 1437 714 91 364 178 C +ATOM 1762 O GLU A 116 4.433 10.319 10.687 1.00 12.10 O +ANISOU 1762 O GLU A 116 2288 1466 843 167 550 164 O +ATOM 1763 CB GLU A 116 5.608 12.838 8.853 1.00 14.28 C +ANISOU 1763 CB GLU A 116 2338 1750 1338 123 380 342 C +ATOM 1764 CG GLU A 116 6.944 13.319 8.306 1.00 15.51 C +ANISOU 1764 CG GLU A 116 2017 1879 1996 -176 589 543 C +ATOM 1765 CD GLU A 116 8.091 13.321 9.338 1.00 18.47 C +ANISOU 1765 CD GLU A 116 2459 2170 2389 -158 676 737 C +ATOM 1766 OE1 GLU A 116 7.981 12.646 10.389 1.00 20.19 O +ANISOU 1766 OE1 GLU A 116 2770 2302 2601 -128 252 547 O +ATOM 1767 OE2 GLU A 116 9.130 13.985 9.111 1.00 19.95 O1- +ANISOU 1767 OE2 GLU A 116 2548 2568 2464 -83 714 736 O1- +ATOM 1768 H GLU A 116 4.975 11.668 6.796 1.00 16.25 H +ATOM 1769 HA GLU A 116 6.150 10.861 8.973 1.00 16.57 H +ATOM 1770 HB2 GLU A 116 4.911 13.317 8.378 1.00 17.16 H +ATOM 1771 HB3 GLU A 116 5.583 13.065 9.796 1.00 17.16 H +ATOM 1772 HG2 GLU A 116 7.208 12.737 7.576 1.00 18.63 H +ATOM 1773 HG3 GLU A 116 6.838 14.228 7.984 1.00 18.63 H +ATOM 1774 N THR A 117 2.960 11.188 9.247 1.00 12.25 N +ANISOU 1774 N THR A 117 2280 1492 883 119 368 71 N +ATOM 1775 CA THR A 117 1.870 10.771 10.126 1.00 12.24 C +ANISOU 1775 CA THR A 117 2090 1502 1059 120 540 84 C +ATOM 1776 C THR A 117 1.732 9.258 10.159 1.00 12.19 C +ANISOU 1776 C THR A 117 2249 1504 877 135 547 230 C +ATOM 1777 O THR A 117 1.522 8.677 11.230 1.00 13.12 O +ANISOU 1777 O THR A 117 2528 1541 917 -42 639 67 O +ATOM 1778 CB THR A 117 0.553 11.476 9.808 1.00 15.38 C +ANISOU 1778 CB THR A 117 2575 1714 1553 -1 690 317 C +ATOM 1779 CG2 THR A 117 0.065 11.244 8.433 1.00 16.24 C +ANISOU 1779 CG2 THR A 117 2777 1828 1566 183 621 376 C +ATOM 1780 OG1 THR A 117 -0.443 10.992 10.714 1.00 18.23 O +ANISOU 1780 OG1 THR A 117 2794 2122 2012 33 1084 239 O +ATOM 1781 H THR A 117 2.731 11.593 8.524 1.00 14.72 H +ATOM 1782 HA THR A 117 2.090 11.062 11.025 1.00 14.71 H +ATOM 1783 HB THR A 117 0.703 12.431 9.892 1.00 18.47 H +ATOM 1784 HG1 THR A 117 -0.200 11.126 11.507 1.00 21.90 H +ATOM 1785 HG21 THR A 117 -0.775 11.709 8.296 1.00 19.51 H +ATOM 1786 HG22 THR A 117 0.714 11.572 7.791 1.00 19.51 H +ATOM 1787 HG23 THR A 117 -0.072 10.295 8.285 1.00 19.51 H +ATOM 1788 N LEU A 118 1.869 8.592 9.010 1.00 12.21 N +ANISOU 1788 N LEU A 118 2398 1413 827 265 532 145 N +ATOM 1789 CA LEU A 118 1.822 7.129 9.005 1.00 11.97 C +ANISOU 1789 CA LEU A 118 2231 1470 846 81 456 106 C +ATOM 1790 C LEU A 118 2.926 6.529 9.867 1.00 11.77 C +ANISOU 1790 C LEU A 118 2227 1532 712 -45 446 38 C +ATOM 1791 O LEU A 118 2.686 5.568 10.607 1.00 12.06 O +ANISOU 1791 O LEU A 118 2193 1656 734 -92 334 308 O +ATOM 1792 CB LEU A 118 1.846 6.578 7.581 1.00 11.95 C +ANISOU 1792 CB LEU A 118 2042 1494 1004 151 431 29 C +ATOM 1793 CG LEU A 118 0.494 6.678 6.875 1.00 13.20 C +ANISOU 1793 CG LEU A 118 2251 1709 1054 46 209 75 C +ATOM 1794 CD1 LEU A 118 0.716 6.520 5.371 1.00 13.70 C +ANISOU 1794 CD1 LEU A 118 2360 1687 1160 124 210 20 C +ATOM 1795 CD2 LEU A 118 -0.525 5.635 7.395 1.00 13.07 C +ANISOU 1795 CD2 LEU A 118 1861 1807 1298 157 320 317 C +ATOM 1796 H LEU A 118 1.987 8.954 8.239 1.00 14.67 H +ATOM 1797 HA LEU A 118 0.975 6.852 9.389 1.00 14.38 H +ATOM 1798 HB2 LEU A 118 2.493 7.080 7.061 1.00 14.36 H +ATOM 1799 HB3 LEU A 118 2.099 5.642 7.611 1.00 14.36 H +ATOM 1800 HG LEU A 118 0.102 7.546 7.062 1.00 15.86 H +ATOM 1801 HD11 LEU A 118 -0.135 6.610 4.915 1.00 16.47 H +ATOM 1802 HD12 LEU A 118 1.328 7.209 5.068 1.00 16.47 H +ATOM 1803 HD13 LEU A 118 1.093 5.643 5.198 1.00 16.47 H +ATOM 1804 HD21 LEU A 118 -1.306 5.642 6.820 1.00 15.70 H +ATOM 1805 HD22 LEU A 118 -0.113 4.757 7.382 1.00 15.70 H +ATOM 1806 HD23 LEU A 118 -0.780 5.867 8.302 1.00 15.70 H +ATOM 1807 N ALA A 119 4.118 7.131 9.864 1.00 11.23 N +ANISOU 1807 N ALA A 119 1993 1539 734 -116 315 62 N +ATOM 1808 CA ALA A 119 5.197 6.641 10.711 1.00 11.81 C +ANISOU 1808 CA ALA A 119 1947 1583 958 -109 110 -12 C +ATOM 1809 C ALA A 119 4.815 6.716 12.186 1.00 12.59 C +ANISOU 1809 C ALA A 119 2316 1565 903 -158 318 80 C +ATOM 1810 O ALA A 119 5.048 5.767 12.945 1.00 13.33 O +ANISOU 1810 O ALA A 119 2624 1402 1039 85 131 149 O +ATOM 1811 CB ALA A 119 6.490 7.416 10.449 1.00 12.95 C +ANISOU 1811 CB ALA A 119 1964 1728 1228 54 146 98 C +ATOM 1812 H ALA A 119 4.322 7.816 9.386 1.00 13.50 H +ATOM 1813 HA ALA A 119 5.365 5.713 10.486 1.00 14.20 H +ATOM 1814 HB1 ALA A 119 7.182 7.085 11.042 1.00 15.56 H +ATOM 1815 HB2 ALA A 119 6.755 7.285 9.525 1.00 15.56 H +ATOM 1816 HB3 ALA A 119 6.333 8.358 10.617 1.00 15.56 H +ATOM 1817 N ASP A 120 4.162 7.806 12.592 1.00 13.18 N +ANISOU 1817 N ASP A 120 2660 1605 741 -196 292 -134 N +ATOM 1818 CA ASP A 120 3.695 7.931 13.974 1.00 15.67 C +ANISOU 1818 CA ASP A 120 3114 1791 1050 -6 666 2 C +ATOM 1819 C ASP A 120 2.654 6.873 14.295 1.00 15.13 C +ANISOU 1819 C ASP A 120 2993 1804 952 53 587 103 C +ATOM 1820 O ASP A 120 2.701 6.240 15.354 1.00 16.35 O +ANISOU 1820 O ASP A 120 3304 1904 1004 100 332 201 O +ATOM 1821 CB ASP A 120 3.045 9.292 14.195 1.00 18.87 C +ANISOU 1821 CB ASP A 120 3520 1944 1704 160 584 -83 C +ATOM 1822 CG ASP A 120 4.028 10.417 14.252 1.00 24.50 C +ANISOU 1822 CG ASP A 120 4460 2316 2534 44 816 -365 C +ATOM 1823 OD1 ASP A 120 5.217 10.173 14.531 1.00 25.98 O +ANISOU 1823 OD1 ASP A 120 4534 2458 2881 -120 188 -531 O +ATOM 1824 OD2 ASP A 120 3.592 11.569 14.033 1.00 26.20 O1- +ANISOU 1824 OD2 ASP A 120 4881 2451 2624 53 1031 -435 O1- +ATOM 1825 H ASP A 120 3.978 8.482 12.093 1.00 15.83 H +ATOM 1826 HA ASP A 120 4.466 7.835 14.555 1.00 18.83 H +ATOM 1827 HB2 ASP A 120 2.432 9.469 13.464 1.00 22.66 H +ATOM 1828 HB3 ASP A 120 2.562 9.276 15.036 1.00 22.66 H +ATOM 1829 N GLN A 121 1.729 6.631 13.374 1.00 14.48 N +ANISOU 1829 N GLN A 121 2687 1779 1037 90 704 235 N +ATOM 1830 CA GLN A 121 0.704 5.632 13.596 1.00 14.00 C +ANISOU 1830 CA GLN A 121 2396 1853 1072 164 534 143 C +ATOM 1831 C GLN A 121 1.304 4.239 13.697 1.00 13.03 C +ANISOU 1831 C GLN A 121 2347 1759 844 87 436 367 C +ATOM 1832 O GLN A 121 0.849 3.422 14.505 1.00 13.86 O +ANISOU 1832 O GLN A 121 2626 1744 898 -68 498 273 O +ATOM 1833 CB GLN A 121 -0.316 5.706 12.471 1.00 13.46 C +ANISOU 1833 CB GLN A 121 2063 1902 1148 223 688 77 C +ATOM 1834 CG GLN A 121 -1.084 7.019 12.449 1.00 14.77 C +ANISOU 1834 CG GLN A 121 1894 2027 1690 239 809 114 C +ATOM 1835 CD GLN A 121 -1.947 7.103 11.217 1.00 16.55 C +ANISOU 1835 CD GLN A 121 2256 2043 1991 161 425 227 C +ATOM 1836 NE2 GLN A 121 -1.716 8.115 10.406 1.00 16.64 N +ANISOU 1836 NE2 GLN A 121 2278 2133 1912 160 546 437 N +ATOM 1837 OE1 GLN A 121 -2.795 6.247 10.979 1.00 19.69 O +ANISOU 1837 OE1 GLN A 121 3060 1906 2516 141 428 105 O +ATOM 1838 H GLN A 121 1.675 7.032 12.615 1.00 17.40 H +ATOM 1839 HA GLN A 121 0.250 5.813 14.434 1.00 16.83 H +ATOM 1840 HB2 GLN A 121 0.145 5.615 11.622 1.00 16.17 H +ATOM 1841 HB3 GLN A 121 -0.957 4.986 12.580 1.00 16.17 H +ATOM 1842 HG2 GLN A 121 -1.655 7.075 13.231 1.00 17.74 H +ATOM 1843 HG3 GLN A 121 -0.459 7.761 12.441 1.00 17.74 H +ATOM 1844 HE21 GLN A 121 -1.099 8.684 10.593 1.00 19.99 H +ATOM 1845 HE22 GLN A 121 -2.182 8.207 9.689 1.00 19.99 H +ATOM 1846 N ILE A 122 2.323 3.945 12.893 1.00 13.04 N +ANISOU 1846 N ILE A 122 2359 1662 935 -69 504 342 N +ATOM 1847 CA ILE A 122 2.952 2.626 12.952 1.00 12.43 C +ANISOU 1847 CA ILE A 122 2171 1625 927 -13 336 208 C +ATOM 1848 C ILE A 122 3.542 2.405 14.336 1.00 13.98 C +ANISOU 1848 C ILE A 122 2931 1521 858 -3 467 -12 C +ATOM 1849 O ILE A 122 3.353 1.346 14.948 1.00 15.67 O +ANISOU 1849 O ILE A 122 3407 1501 1045 -63 564 132 O +ATOM 1850 CB ILE A 122 3.998 2.456 11.829 1.00 12.28 C +ANISOU 1850 CB ILE A 122 2188 1683 796 20 210 294 C +ATOM 1851 CG1 ILE A 122 3.336 2.367 10.448 1.00 11.84 C +ANISOU 1851 CG1 ILE A 122 2067 1639 793 -46 207 177 C +ATOM 1852 CG2 ILE A 122 4.829 1.168 12.075 1.00 12.05 C +ANISOU 1852 CG2 ILE A 122 1961 1562 1054 220 97 148 C +ATOM 1853 CD1 ILE A 122 4.258 2.705 9.297 1.00 13.13 C +ANISOU 1853 CD1 ILE A 122 2421 1637 930 -142 436 235 C +ATOM 1854 H ILE A 122 2.665 4.481 12.314 1.00 15.67 H +ATOM 1855 HA ILE A 122 2.275 1.949 12.800 1.00 14.94 H +ATOM 1856 HB ILE A 122 4.572 3.238 11.845 1.00 14.76 H +ATOM 1857 HG12 ILE A 122 3.018 1.460 10.314 1.00 14.23 H +ATOM 1858 HG13 ILE A 122 2.591 2.987 10.420 1.00 14.23 H +ATOM 1859 HG21 ILE A 122 5.326 0.954 11.270 1.00 14.48 H +ATOM 1860 HG22 ILE A 122 5.442 1.323 12.811 1.00 14.48 H +ATOM 1861 HG23 ILE A 122 4.226 0.440 12.295 1.00 14.48 H +ATOM 1862 HD11 ILE A 122 3.766 2.625 8.465 1.00 15.77 H +ATOM 1863 HD12 ILE A 122 4.579 3.614 9.406 1.00 15.77 H +ATOM 1864 HD13 ILE A 122 5.006 2.088 9.300 1.00 15.77 H +ATOM 1865 N ALA A 123 4.197 3.417 14.880 1.00 14.44 N +ANISOU 1865 N ALA A 123 2932 1637 917 57 145 157 N +ATOM 1866 CA ALA A 123 4.823 3.243 16.184 1.00 15.20 C +ANISOU 1866 CA ALA A 123 3008 1915 853 -29 186 -89 C +ATOM 1867 C ALA A 123 3.777 2.911 17.248 1.00 15.32 C +ANISOU 1867 C ALA A 123 3024 1980 817 -121 317 -66 C +ATOM 1868 O ALA A 123 4.008 2.060 18.118 1.00 16.70 O +ANISOU 1868 O ALA A 123 3379 2052 916 -200 92 259 O +ATOM 1869 CB ALA A 123 5.585 4.502 16.559 1.00 17.05 C +ANISOU 1869 CB ALA A 123 3292 2018 1167 63 -84 66 C +ATOM 1870 H ALA A 123 4.293 4.195 14.527 1.00 17.34 H +ATOM 1871 HA ALA A 123 5.456 2.509 16.141 1.00 18.27 H +ATOM 1872 HB1 ALA A 123 6.046 4.353 17.399 1.00 20.48 H +ATOM 1873 HB2 ALA A 123 6.227 4.703 15.860 1.00 20.48 H +ATOM 1874 HB3 ALA A 123 4.957 5.235 16.652 1.00 20.48 H +ATOM 1875 N LYS A 124 2.637 3.460 17.257 1.00 16.60 N +ANISOU 1875 N LYS A 124 3354 2024 930 6 412 -87 N +ATOM 1876 CA LYS A 124 1.547 3.193 18.174 1.00 18.64 C +ANISOU 1876 CA LYS A 124 3540 2295 1247 61 853 126 C +ATOM 1877 C LYS A 124 0.926 1.822 18.018 1.00 18.36 C +ANISOU 1877 C LYS A 124 3456 2237 1284 59 913 90 C +ATOM 1878 O LYS A 124 0.249 1.402 18.863 1.00 20.91 O +ANISOU 1878 O LYS A 124 4163 2476 1305 -86 790 92 O +ATOM 1879 CB LYS A 124 0.503 4.250 18.039 1.00 22.21 C +ANISOU 1879 CB LYS A 124 4323 2503 1611 182 931 141 C +ATOM 1880 CG LYS A 124 1.004 5.593 18.510 1.00 26.34 C +ANISOU 1880 CG LYS A 124 4779 2768 2461 313 1271 214 C +ATOM 1881 CD LYS A 124 -0.023 6.659 18.357 1.00 29.25 C +ANISOU 1881 CD LYS A 124 5207 2956 2949 260 1350 273 C +ATOM 1882 H LYS A 124 2.413 4.065 16.688 1.00 19.94 H +ATOM 1883 HA LYS A 124 1.906 3.225 19.074 1.00 22.39 H +ATOM 1884 HB2 LYS A 124 0.248 4.330 17.107 1.00 26.67 H +ATOM 1885 HB3 LYS A 124 -0.268 4.008 18.575 1.00 26.67 H +ATOM 1886 HG2 LYS A 124 1.241 5.534 19.449 1.00 31.63 H +ATOM 1887 HG3 LYS A 124 1.781 5.845 17.987 1.00 31.63 H +ATOM 1888 HD2 LYS A 124 -0.251 6.747 17.418 1.00 35.12 H +ATOM 1889 HD3 LYS A 124 -0.811 6.417 18.869 1.00 35.12 H +ATOM 1890 N ALA A 125 1.058 1.269 16.852 1.00 15.55 N +ANISOU 1890 N ALA A 125 2866 1823 1220 98 731 444 N +ATOM 1891 CA ALA A 125 0.495 -0.052 16.589 1.00 14.78 C +ANISOU 1891 CA ALA A 125 2623 1826 1166 -94 386 532 C +ATOM 1892 C ALA A 125 1.424 -1.186 16.984 1.00 14.99 C +ANISOU 1892 C ALA A 125 2538 1871 1286 -183 209 262 C +ATOM 1893 O ALA A 125 1.030 -2.355 16.899 1.00 15.93 O +ANISOU 1893 O ALA A 125 2599 1829 1625 -160 415 -67 O +ATOM 1894 CB ALA A 125 0.148 -0.164 15.098 1.00 15.64 C +ANISOU 1894 CB ALA A 125 2715 1939 1288 -147 237 526 C +ATOM 1895 H ALA A 125 1.467 1.626 16.185 1.00 18.68 H +ATOM 1896 HA ALA A 125 -0.320 -0.157 17.104 1.00 17.75 H +ATOM 1897 HB1 ALA A 125 -0.216 -1.046 14.924 1.00 18.79 H +ATOM 1898 HB2 ALA A 125 -0.508 0.515 14.875 1.00 18.79 H +ATOM 1899 HB3 ALA A 125 0.954 -0.030 14.575 1.00 18.79 H +ATOM 1900 N LEU A 126 2.620 -0.880 17.450 1.00 16.94 N +ANISOU 1900 N LEU A 126 2956 1933 1548 -130 98 111 N +ATOM 1901 CA LEU A 126 3.539 -1.939 17.822 1.00 19.62 C +ANISOU 1901 CA LEU A 126 3025 2188 2240 10 412 223 C +ATOM 1902 C LEU A 126 3.323 -2.497 19.229 1.00 22.06 C +ANISOU 1902 C LEU A 126 3429 2599 2353 102 416 254 C +ATOM 1903 O LEU A 126 3.914 -3.541 19.567 1.00 23.15 O +ANISOU 1903 O LEU A 126 3529 2685 2581 -149 728 303 O +ATOM 1904 CB LEU A 126 4.970 -1.442 17.698 1.00 18.11 C +ANISOU 1904 CB LEU A 126 2844 1939 2099 4 477 347 C +ATOM 1905 CG LEU A 126 5.311 -0.796 16.360 1.00 18.12 C +ANISOU 1905 CG LEU A 126 2824 1913 2147 -61 590 314 C +ATOM 1906 CD1 LEU A 126 6.804 -0.382 16.359 1.00 19.36 C +ANISOU 1906 CD1 LEU A 126 3043 1857 2455 -187 948 256 C +ATOM 1907 CD2 LEU A 126 5.039 -1.682 15.167 1.00 18.38 C +ANISOU 1907 CD2 LEU A 126 2771 1838 2374 48 478 220 C +ATOM 1908 OXT LEU A 126 2.589 -1.929 20.034 1.00 23.01 O1- +ANISOU 1908 OXT LEU A 126 3613 2936 2195 167 395 370 O1- +ATOM 1909 H LEU A 126 2.919 -0.081 17.559 1.00 20.35 H +ATOM 1910 HA LEU A 126 3.380 -2.677 17.213 1.00 23.56 H +ATOM 1911 HB2 LEU A 126 5.126 -0.780 18.390 1.00 21.75 H +ATOM 1912 HB3 LEU A 126 5.568 -2.196 17.819 1.00 21.75 H +ATOM 1913 HG LEU A 126 4.734 -0.023 16.260 1.00 21.76 H +ATOM 1914 HD11 LEU A 126 7.011 0.053 15.517 1.00 23.25 H +ATOM 1915 HD12 LEU A 126 6.963 0.230 17.095 1.00 23.25 H +ATOM 1916 HD13 LEU A 126 7.352 -1.176 16.465 1.00 23.25 H +ATOM 1917 HD21 LEU A 126 5.330 -1.226 14.362 1.00 22.08 H +ATOM 1918 HD22 LEU A 126 5.529 -2.512 15.272 1.00 22.08 H +ATOM 1919 HD23 LEU A 126 4.087 -1.863 15.119 1.00 22.08 H +TER +HETATM 1920 O1 SO4 A 301 -4.236 -5.589 3.413 0.42 17.10 O +ANISOU 1920 O1 SO4 A 301 2675 2359 1463 -473 24 98 O +HETATM 1921 O2 SO4 A 301 -2.923 -3.726 3.703 1.00 19.18 O +ANISOU 1921 O2 SO4 A 301 2799 2589 1898 -441 179 223 O +HETATM 1922 O3 SO4 A 301 -4.600 -4.204 5.296 0.76 18.96 O1- +ANISOU 1922 O3 SO4 A 301 2845 2529 1830 -316 71 307 O1- +HETATM 1923 O4 SO4 A 301 -2.823 -5.616 5.209 0.59 17.05 O +ANISOU 1923 O4 SO4 A 301 2781 2302 1394 -120 -384 315 O +HETATM 1924 S SO4 A 301 -3.661 -4.767 4.414 0.66 18.07 S +ANISOU 1924 S SO4 A 301 2779 2374 1712 -317 -158 201 S +HETATM 1925 C ACT A 302 9.411 5.049 -11.251 1.00 32.98 C +ANISOU 1925 C ACT A 302 4563 4005 3962 -398 1989 34 C +HETATM 1926 O ACT A 302 10.530 5.623 -11.248 1.00 34.05 O +ANISOU 1926 O ACT A 302 4761 4035 4140 -176 1721 -23 O +HETATM 1927 CH3 ACT A 302 8.578 5.333 -12.472 0.87 34.28 C +ANISOU 1927 CH3 ACT A 302 4734 4053 4238 -524 2243 127 C +HETATM 1928 OXT ACT A 302 8.873 4.314 -10.364 0.96 32.75 O +ANISOU 1928 OXT ACT A 302 4450 4061 3933 -286 1975 -238 O +HETATM 1929 H1 ACT A 302 9.037 5.002 -13.260 1.00 41.16 H +HETATM 1930 H2 ACT A 302 7.719 4.890 -12.387 1.00 41.16 H +HETATM 1931 H3 ACT A 302 8.442 6.290 -12.554 1.00 41.16 H +HETATM 1932 C1 GG2 A 303 8.532 2.564 9.251 1.00 12.78 C +ANISOU 1932 C1 GG2 A 303 2478 1487 891 -207 -203 37 C +HETATM 1933 N1 GG2 A 303 9.713 6.362 10.356 1.00 12.15 N +ANISOU 1933 N1 GG2 A 303 2258 1592 765 -45 224 -92 N +HETATM 1934 O1 GG2 A 303 10.143 9.708 13.396 1.00 15.65 O +ANISOU 1934 O1 GG2 A 303 2315 2076 1555 -121 200 -483 O +HETATM 1935 C2 GG2 A 303 9.465 2.708 10.266 1.00 13.27 C +ANISOU 1935 C2 GG2 A 303 2519 1638 886 -124 134 84 C +HETATM 1936 N2 GG2 A 303 9.618 10.175 2.358 1.00 15.69 N +ANISOU 1936 N2 GG2 A 303 2687 2220 1053 -417 -253 -4 N +HETATM 1937 O2 GG2 A 303 7.909 8.820 2.039 1.00 20.82 O +ANISOU 1937 O2 GG2 A 303 3253 2707 1949 -911 -412 239 O +HETATM 1938 C3 GG2 A 303 9.854 3.977 10.637 1.00 13.43 C +ANISOU 1938 C3 GG2 A 303 2518 1642 942 -88 218 18 C +HETATM 1939 N3 GG2 A 303 9.303 7.829 14.165 1.00 14.95 N +ANISOU 1939 N3 GG2 A 303 2800 1787 1093 -130 276 -27 N +HETATM 1940 O3 GG2 A 303 10.359 6.870 7.520 1.00 12.56 O +ANISOU 1940 O3 GG2 A 303 2149 1586 1037 -306 359 -259 O +HETATM 1941 C4 GG2 A 303 9.405 5.112 9.970 1.00 11.43 C +ANISOU 1941 C4 GG2 A 303 1866 1611 866 -224 48 18 C +HETATM 1942 O4 GG2 A 303 8.089 1.351 8.858 1.00 15.57 O +ANISOU 1942 O4 GG2 A 303 3024 1446 1445 -235 -263 85 O +HETATM 1943 C5 GG2 A 303 8.488 4.893 8.945 1.00 12.10 C +ANISOU 1943 C5 GG2 A 303 1960 1653 984 -251 331 -115 C +HETATM 1944 N5 GG2 A 303 9.853 9.000 7.832 1.00 12.74 N +ANISOU 1944 N5 GG2 A 303 2170 1655 1017 -150 58 -121 N +HETATM 1945 C6 GG2 A 303 8.071 3.636 8.565 1.00 11.97 C +ANISOU 1945 C6 GG2 A 303 2123 1593 832 -61 135 -43 C +HETATM 1946 N6 GG2 A 303 9.596 6.643 11.676 1.00 13.19 N +ANISOU 1946 N6 GG2 A 303 2221 1772 1019 -216 414 -217 N +HETATM 1947 C7 GG2 A 303 9.846 9.298 6.440 1.00 12.96 C +ANISOU 1947 C7 GG2 A 303 1941 2043 942 -192 12 -192 C +HETATM 1948 C8 GG2 A 303 10.078 7.757 8.212 1.00 11.99 C +ANISOU 1948 C8 GG2 A 303 2093 1545 916 9 262 -301 C +HETATM 1949 C10 GG2 A 303 9.766 7.938 11.854 1.00 13.15 C +ANISOU 1949 C10 GG2 A 303 2082 1780 1136 -155 86 -261 C +HETATM 1950 C11 GG2 A 303 9.724 8.587 13.202 1.00 14.54 C +ANISOU 1950 C11 GG2 A 303 2557 1752 1215 -267 -8 -347 C +HETATM 1951 C12 GG2 A 303 10.002 8.559 10.566 1.00 12.38 C +ANISOU 1951 C12 GG2 A 303 1851 1595 1259 -100 123 -52 C +HETATM 1952 C13 GG2 A 303 9.889 7.466 9.642 1.00 12.14 C +ANISOU 1952 C13 GG2 A 303 1975 1545 1092 98 84 -224 C +HETATM 1953 C14 GG2 A 303 10.796 9.312 4.230 1.00 13.66 C +ANISOU 1953 C14 GG2 A 303 2199 2333 659 4 -159 -127 C +HETATM 1954 C15 GG2 A 303 8.704 0.204 9.432 1.00 16.57 C +ANISOU 1954 C15 GG2 A 303 3246 1443 1607 -344 -475 453 C +HETATM 1955 C16 GG2 A 303 9.684 9.871 3.709 1.00 14.47 C +ANISOU 1955 C16 GG2 A 303 2355 2210 932 -6 -20 237 C +HETATM 1956 C17 GG2 A 303 10.212 9.957 10.102 1.00 13.20 C +ANISOU 1956 C17 GG2 A 303 2319 1598 1097 -110 288 -211 C +HETATM 1957 C18 GG2 A 303 8.664 10.150 4.538 1.00 15.79 C +ANISOU 1957 C18 GG2 A 303 2264 2312 1424 45 64 401 C +HETATM 1958 C19 GG2 A 303 8.743 9.547 1.616 1.00 18.23 C +ANISOU 1958 C19 GG2 A 303 3048 2440 1439 -811 -355 331 C +HETATM 1959 C20 GG2 A 303 10.546 11.173 1.874 1.00 17.39 C +ANISOU 1959 C20 GG2 A 303 2789 2564 1254 -624 208 292 C +HETATM 1960 C21 GG2 A 303 10.353 11.592 0.420 1.00 17.47 C +ANISOU 1960 C21 GG2 A 303 2702 2602 1334 -991 116 -28 C +HETATM 1961 C22 GG2 A 303 8.755 9.866 5.900 1.00 14.63 C +ANISOU 1961 C22 GG2 A 303 1985 2302 1270 -102 113 176 C +HETATM 1962 C23 GG2 A 303 8.894 9.738 0.116 1.00 20.24 C +ANISOU 1962 C23 GG2 A 303 3402 2534 1756 -651 -135 366 C +HETATM 1963 C24 GG2 A 303 9.448 10.066 8.773 1.00 12.78 C +ANISOU 1963 C24 GG2 A 303 2226 1573 1055 -107 260 -230 C +HETATM 1964 C25 GG2 A 303 10.142 10.358 -0.420 1.00 18.83 C +ANISOU 1964 C25 GG2 A 303 3021 2602 1530 -512 302 155 C +HETATM 1965 C44 GG2 A 303 10.894 9.032 5.608 1.00 13.43 C +ANISOU 1965 C44 GG2 A 303 2038 2260 805 -42 -55 -110 C +HETATM 1966 HN31 GG2 A 303 9.262 8.183 15.110 1.00 17.96 H +HETATM 1967 HN32 GG2 A 303 8.995 6.897 13.961 1.00 17.96 H +HETATM 1968 H2 GG2 A 303 9.822 1.961 10.689 1.00 15.95 H +HETATM 1969 H3 GG2 A 303 10.435 4.078 11.356 1.00 16.14 H +HETATM 1970 H5 GG2 A 303 8.141 5.630 8.496 1.00 14.54 H +HETATM 1971 H6 GG2 A 303 7.485 3.526 7.852 1.00 14.39 H +HETATM 1972 H14 GG2 A 303 11.510 9.108 3.670 1.00 16.42 H +HETATM 1973 H18 GG2 A 303 7.889 10.537 4.200 1.00 18.97 H +HETATM 1974 H22 GG2 A 303 8.037 10.077 6.452 1.00 17.57 H +HETATM 1975 H44 GG2 A 303 11.676 8.664 5.951 1.00 16.14 H +HETATM 1976 H151 GG2 A 303 9.662 0.242 9.283 1.00 19.91 H +HETATM 1977 H152 GG2 A 303 8.344 -0.597 9.019 1.00 19.91 H +HETATM 1978 H153 GG2 A 303 8.526 0.184 10.385 1.00 19.91 H +HETATM 1979 H171 GG2 A 303 11.157 10.129 9.964 1.00 15.86 H +HETATM 1980 H172 GG2 A 303 9.855 10.585 10.749 1.00 15.86 H +HETATM 1981 H201 GG2 A 303 11.445 10.822 1.970 1.00 20.89 H +HETATM 1982 H202 GG2 A 303 10.458 11.963 2.430 1.00 20.89 H +HETATM 1983 H211 GG2 A 303 9.576 12.169 0.349 1.00 20.99 H +HETATM 1984 H212 GG2 A 303 11.142 12.063 0.111 1.00 20.99 H +HETATM 1985 H231 GG2 A 303 8.812 8.862 -0.293 1.00 24.32 H +HETATM 1986 H232 GG2 A 303 8.152 10.290 -0.177 1.00 24.32 H +HETATM 1987 H241 GG2 A 303 9.671 10.920 8.370 1.00 15.35 H +HETATM 1988 H242 GG2 A 303 8.503 9.954 8.962 1.00 15.35 H +HETATM 1989 H251 GG2 A 303 10.892 9.750 -0.324 1.00 22.61 H +HETATM 1990 H252 GG2 A 303 10.028 10.598 -1.353 1.00 22.61 H +HETATM 1991 C ACT A 304 15.886 11.412 -19.484 1.00 27.08 C +ANISOU 1991 C ACT A 304 3320 4424 2547 223 -555 -556 C +HETATM 1992 O ACT A 304 15.251 11.309 -20.556 0.69 29.20 O +ANISOU 1992 O ACT A 304 3796 4508 2789 273 -192 -332 O +HETATM 1993 CH3 ACT A 304 15.200 12.005 -18.288 0.92 28.72 C +ANISOU 1993 CH3 ACT A 304 3581 4499 2831 271 -355 -705 C +HETATM 1994 OXT ACT A 304 17.080 11.056 -19.384 0.99 30.31 O +ANISOU 1994 OXT ACT A 304 4356 4382 2777 -102 -563 -416 O +HETATM 1995 H1 ACT A 304 15.888 12.600 -17.747 1.00 34.48 H +HETATM 1996 H2 ACT A 304 14.389 12.605 -18.608 1.00 34.48 H +HETATM 1997 H3 ACT A 304 14.840 11.227 -17.667 1.00 34.48 H +HETATM 1998 C UNK 0 9.660 3.696 8.792 0.00 0.00 C +HETATM 1999 C UNK 0 8.498 4.318 9.224 0.00 0.00 C +HETATM 2000 C UNK 0 8.434 5.693 9.399 0.00 0.00 C +HETATM 2001 O UNK 0 9.658 2.314 8.637 0.00 0.00 O +HETATM 2002 N UNK 0 9.098 8.570 10.359 0.00 0.00 N +HETATM 2003 C UNK 0 10.759 9.690 4.879 0.00 0.00 C +HETATM 2004 C UNK 0 10.449 8.526 7.013 0.00 0.00 C +HETATM 2005 C UNK 0 9.223 9.891 10.113 0.00 0.00 C +HETATM 2006 C UNK 0 8.899 10.995 10.983 0.00 0.00 C +HETATM 2007 C UNK 0 9.738 10.010 8.820 0.00 0.00 C +HETATM 2008 C UNK 0 9.896 8.747 8.356 0.00 0.00 C +HETATM 2009 C UNK 0 9.616 9.443 2.768 0.00 0.00 C +HETATM 2010 C UNK 0 8.741 1.499 9.318 0.00 0.00 C +HETATM 2011 C UNK 0 10.763 9.718 2.039 0.00 0.00 C +HETATM 2012 C UNK 0 9.864 10.550 -0.078 0.00 0.00 C +HETATM 2013 C UNK 0 11.758 8.990 -0.157 0.00 0.00 C +HETATM 2014 C UNK 0 12.146 9.814 -1.357 0.00 0.00 C +HETATM 2015 C UNK 0 11.921 9.969 4.150 0.00 0.00 C +HETATM 2016 C UNK 0 11.169 10.886 7.028 0.00 0.00 C +HETATM 2017 C UNK 0 9.535 6.467 9.144 0.00 0.00 C +HETATM 2018 C UNK 0 10.698 5.865 8.715 0.00 0.00 C +HETATM 2019 C UNK 0 10.750 4.490 8.543 0.00 0.00 C +HETATM 2020 N UNK 0 9.497 7.881 9.316 0.00 0.00 N +HETATM 2021 N UNK 0 10.786 9.683 6.290 0.00 0.00 N +HETATM 2022 C UNK 0 9.625 9.432 4.143 0.00 0.00 C +HETATM 2023 N UNK 0 10.808 9.741 0.626 0.00 0.00 N +HETATM 2024 C UNK 0 11.899 9.976 2.775 0.00 0.00 C +HETATM 2025 O UNK 0 10.608 7.400 6.546 0.00 0.00 O +HETATM 2026 C UNK 0 10.980 10.109 -2.261 0.00 0.00 C +HETATM 2027 O UNK 0 9.185 11.439 0.495 0.00 0.00 O +HETATM 2028 C UNK 0 9.690 10.326 -1.513 0.00 0.00 C +HETATM 2029 O UNK 0 8.869 12.155 10.503 0.00 0.00 O +HETATM 2030 N UNK 0 8.617 10.801 12.351 0.00 0.00 N +HETATM 2031 C UNK 0 10.067 11.186 7.989 0.00 0.00 C +CONECT 1920 1924 +CONECT 1921 1924 +CONECT 1922 1924 +CONECT 1923 1924 +CONECT 1924 1920 1921 1922 1923 +CONECT 1925 1926 1927 1928 +CONECT 1926 1925 +CONECT 1927 1925 1929 1930 1931 +CONECT 1928 1925 +CONECT 1929 1927 +CONECT 1930 1927 +CONECT 1931 1927 +CONECT 1932 1935 1942 1945 +CONECT 1933 1941 1946 1952 +CONECT 1934 1950 +CONECT 1935 1932 1938 1968 +CONECT 1936 1955 1958 1959 +CONECT 1937 1958 +CONECT 1938 1935 1941 1969 +CONECT 1939 1966 1967 1950 +CONECT 1940 1948 +CONECT 1941 1938 1933 1943 +CONECT 1942 1932 1954 +CONECT 1943 1941 1945 1970 +CONECT 1944 1947 1948 1963 +CONECT 1945 1932 1943 1971 +CONECT 1946 1933 1949 +CONECT 1947 1944 1961 1965 +CONECT 1948 1940 1944 1952 +CONECT 1949 1946 1950 1951 +CONECT 1950 1949 1934 1939 +CONECT 1951 1949 1952 1956 +CONECT 1952 1948 1951 1933 +CONECT 1953 1955 1965 1972 +CONECT 1954 1942 1976 1977 1978 +CONECT 1955 1953 1936 1957 +CONECT 1956 1951 1979 1980 1963 +CONECT 1957 1955 1973 1961 +CONECT 1958 1936 1937 1962 +CONECT 1959 1936 1960 1981 1982 +CONECT 1960 1959 1964 1983 1984 +CONECT 1961 1947 1957 1974 +CONECT 1962 1958 1985 1986 1964 +CONECT 1963 1944 1956 1987 1988 +CONECT 1964 1960 1962 1989 1990 +CONECT 1965 1947 1953 1975 +CONECT 1966 1939 +CONECT 1967 1939 +CONECT 1968 1935 +CONECT 1969 1938 +CONECT 1970 1943 +CONECT 1971 1945 +CONECT 1972 1953 +CONECT 1973 1957 +CONECT 1974 1961 +CONECT 1975 1965 +CONECT 1976 1954 +CONECT 1977 1954 +CONECT 1978 1954 +CONECT 1979 1956 +CONECT 1980 1956 +CONECT 1981 1959 +CONECT 1982 1959 +CONECT 1983 1960 +CONECT 1984 1960 +CONECT 1985 1962 +CONECT 1986 1962 +CONECT 1987 1963 +CONECT 1988 1963 +CONECT 1989 1964 +CONECT 1990 1964 +CONECT 1991 1992 1993 1994 +CONECT 1992 1991 +CONECT 1993 1991 1995 1996 1997 +CONECT 1994 1991 +CONECT 1995 1993 +CONECT 1996 1993 +CONECT 1997 1993 +CONECT 1998 1999 2001 2019 +CONECT 1999 1998 2000 +CONECT 2000 1999 2017 +CONECT 2001 1998 2010 +CONECT 2002 2005 2020 +CONECT 2003 2015 2021 2022 +CONECT 2004 2008 2021 2025 +CONECT 2005 2002 2006 2007 +CONECT 2006 2005 2029 2030 +CONECT 2007 2005 2008 2031 +CONECT 2008 2004 2007 2020 +CONECT 2009 2011 2022 +CONECT 2010 2001 +CONECT 2011 2009 2023 2024 +CONECT 2012 2023 2027 2028 +CONECT 2013 2014 2023 +CONECT 2014 2013 2026 +CONECT 2015 2003 2024 +CONECT 2016 2021 2031 +CONECT 2017 2000 2018 2020 +CONECT 2018 2017 2019 +CONECT 2019 1998 2018 +CONECT 2020 2002 2008 2017 +CONECT 2021 2003 2004 2016 +CONECT 2022 2003 2009 +CONECT 2023 2011 2012 2013 +CONECT 2024 2011 2015 +CONECT 2025 2004 +CONECT 2026 2014 2028 +CONECT 2027 2012 +CONECT 2028 2012 2026 +CONECT 2029 2006 +CONECT 2030 2006 +CONECT 2031 2007 2016 +END