USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0823 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.11 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0018 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0068 USER MOD Single : A 8 SER OG : rot 28:sc= 0.575 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.164 F(o=-1.3,f=-0.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -175:sc= -0.0762 (180deg=-0.155) USER MOD Single : A 34 ASN : amide:sc=-0.000139 K(o=-0.00014,f=-1.2) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -2.42 F(o=-3!,f=-2.4) USER MOD Single : A 43 GLN : amide:sc= -0.659! C(o=-0.66!,f=-0.66!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 32:sc= -0.309 USER MOD Single : A 49 MET CE :methyl 177:sc= -0.0682 (180deg=-0.0883) USER MOD Single : A 54 ASN : amide:sc= -1.37 K(o=-1.4,f=-13!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= -0.263 (180deg=-0.361) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 101.838 2.099 24.218 1.00 0.00 N ATOM 2 CA GLY A 1 100.664 1.769 23.430 1.00 0.00 C ATOM 3 C GLY A 1 100.104 2.969 22.693 1.00 0.00 C ATOM 4 O GLY A 1 100.742 4.020 22.629 1.00 0.00 O ATOM 0 H1 GLY A 1 102.610 1.443 23.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 102.135 3.073 24.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 101.611 2.018 25.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 100.920 0.992 22.710 1.00 0.00 H new ATOM 0 HA3 GLY A 1 99.895 1.357 24.084 1.00 0.00 H new ATOM 8 N SER A 2 98.908 2.814 22.135 1.00 0.00 N ATOM 9 CA SER A 2 98.264 3.892 21.394 1.00 0.00 C ATOM 10 C SER A 2 96.822 3.530 21.051 1.00 0.00 C ATOM 11 O SER A 2 96.447 2.358 21.055 1.00 0.00 O ATOM 12 CB SER A 2 99.044 4.195 20.113 1.00 0.00 C ATOM 13 OG SER A 2 98.352 5.130 19.303 1.00 0.00 O ATOM 0 H SER A 2 98.365 1.952 22.182 1.00 0.00 H new ATOM 0 HA SER A 2 98.257 4.780 22.026 1.00 0.00 H new ATOM 0 HB2 SER A 2 100.028 4.588 20.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 99.204 3.273 19.554 1.00 0.00 H new ATOM 0 HG SER A 2 98.872 5.308 18.492 1.00 0.00 H new ATOM 19 N SER A 3 96.019 4.547 20.754 1.00 0.00 N ATOM 20 CA SER A 3 94.616 4.338 20.413 1.00 0.00 C ATOM 21 C SER A 3 94.006 5.605 19.822 1.00 0.00 C ATOM 22 O SER A 3 94.457 6.715 20.105 1.00 0.00 O ATOM 23 CB SER A 3 93.827 3.907 21.650 1.00 0.00 C ATOM 24 OG SER A 3 92.542 3.428 21.294 1.00 0.00 O ATOM 0 H SER A 3 96.315 5.523 20.743 1.00 0.00 H new ATOM 0 HA SER A 3 94.564 3.547 19.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 94.374 3.128 22.181 1.00 0.00 H new ATOM 0 HB3 SER A 3 93.728 4.750 22.334 1.00 0.00 H new ATOM 0 HG SER A 3 92.058 3.157 22.102 1.00 0.00 H new ATOM 30 N GLY A 4 92.977 5.431 18.999 1.00 0.00 N ATOM 31 CA GLY A 4 92.321 6.568 18.381 1.00 0.00 C ATOM 32 C GLY A 4 90.816 6.401 18.308 1.00 0.00 C ATOM 33 O GLY A 4 90.255 5.493 18.921 1.00 0.00 O ATOM 0 H GLY A 4 92.586 4.523 18.749 1.00 0.00 H new ATOM 0 HA2 GLY A 4 92.556 7.470 18.946 1.00 0.00 H new ATOM 0 HA3 GLY A 4 92.717 6.709 17.375 1.00 0.00 H new ATOM 37 N SER A 5 90.160 7.280 17.557 1.00 0.00 N ATOM 38 CA SER A 5 88.710 7.228 17.410 1.00 0.00 C ATOM 39 C SER A 5 88.249 8.115 16.258 1.00 0.00 C ATOM 40 O SER A 5 89.056 8.787 15.616 1.00 0.00 O ATOM 41 CB SER A 5 88.029 7.665 18.709 1.00 0.00 C ATOM 42 OG SER A 5 86.661 7.295 18.717 1.00 0.00 O ATOM 0 H SER A 5 90.609 8.036 17.041 1.00 0.00 H new ATOM 0 HA SER A 5 88.428 6.199 17.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 88.537 7.211 19.560 1.00 0.00 H new ATOM 0 HB3 SER A 5 88.118 8.745 18.824 1.00 0.00 H new ATOM 0 HG SER A 5 86.249 7.584 19.558 1.00 0.00 H new ATOM 48 N SER A 6 86.945 8.111 16.002 1.00 0.00 N ATOM 49 CA SER A 6 86.374 8.912 14.924 1.00 0.00 C ATOM 50 C SER A 6 84.850 8.908 14.993 1.00 0.00 C ATOM 51 O SER A 6 84.258 8.275 15.866 1.00 0.00 O ATOM 52 CB SER A 6 86.836 8.380 13.566 1.00 0.00 C ATOM 53 OG SER A 6 86.789 9.395 12.578 1.00 0.00 O ATOM 0 H SER A 6 86.263 7.562 16.526 1.00 0.00 H new ATOM 0 HA SER A 6 86.723 9.938 15.042 1.00 0.00 H new ATOM 0 HB2 SER A 6 87.853 7.996 13.649 1.00 0.00 H new ATOM 0 HB3 SER A 6 86.203 7.545 13.265 1.00 0.00 H new ATOM 0 HG SER A 6 87.091 9.030 11.720 1.00 0.00 H new ATOM 59 N GLY A 7 84.221 9.621 14.064 1.00 0.00 N ATOM 60 CA GLY A 7 82.771 9.688 14.036 1.00 0.00 C ATOM 61 C GLY A 7 82.256 10.654 12.988 1.00 0.00 C ATOM 62 O GLY A 7 83.023 11.428 12.416 1.00 0.00 O ATOM 0 H GLY A 7 84.689 10.153 13.330 1.00 0.00 H new ATOM 0 HA2 GLY A 7 82.368 8.694 13.839 1.00 0.00 H new ATOM 0 HA3 GLY A 7 82.405 9.992 15.017 1.00 0.00 H new ATOM 66 N SER A 8 80.952 10.608 12.733 1.00 0.00 N ATOM 67 CA SER A 8 80.335 11.482 11.742 1.00 0.00 C ATOM 68 C SER A 8 78.826 11.562 11.952 1.00 0.00 C ATOM 69 O SER A 8 78.109 10.564 11.869 1.00 0.00 O ATOM 70 CB SER A 8 80.639 10.981 10.329 1.00 0.00 C ATOM 71 OG SER A 8 80.017 9.732 10.086 1.00 0.00 O ATOM 0 H SER A 8 80.302 9.975 13.199 1.00 0.00 H new ATOM 0 HA SER A 8 80.754 12.481 11.864 1.00 0.00 H new ATOM 0 HB2 SER A 8 80.292 11.712 9.598 1.00 0.00 H new ATOM 0 HB3 SER A 8 81.717 10.886 10.198 1.00 0.00 H new ATOM 0 HG SER A 8 79.208 9.657 10.634 1.00 0.00 H new ATOM 77 N PRO A 9 78.331 12.777 12.232 1.00 0.00 N ATOM 78 CA PRO A 9 76.903 13.017 12.459 1.00 0.00 C ATOM 79 C PRO A 9 76.080 12.867 11.184 1.00 0.00 C ATOM 80 O PRO A 9 76.579 12.391 10.165 1.00 0.00 O ATOM 81 CB PRO A 9 76.862 14.464 12.956 1.00 0.00 C ATOM 82 CG PRO A 9 78.087 15.094 12.390 1.00 0.00 C ATOM 83 CD PRO A 9 79.128 14.010 12.347 1.00 0.00 C ATOM 0 HA PRO A 9 76.475 12.299 13.159 1.00 0.00 H new ATOM 0 HB2 PRO A 9 75.961 14.974 12.615 1.00 0.00 H new ATOM 0 HB3 PRO A 9 76.861 14.509 14.045 1.00 0.00 H new ATOM 0 HG2 PRO A 9 77.896 15.492 11.393 1.00 0.00 H new ATOM 0 HG3 PRO A 9 78.418 15.929 13.008 1.00 0.00 H new ATOM 0 HD2 PRO A 9 79.802 14.133 11.499 1.00 0.00 H new ATOM 0 HD3 PRO A 9 79.744 14.008 13.246 1.00 0.00 H new ATOM 91 N GLU A 10 74.817 13.278 11.249 1.00 0.00 N ATOM 92 CA GLU A 10 73.926 13.188 10.098 1.00 0.00 C ATOM 93 C GLU A 10 72.901 14.319 10.114 1.00 0.00 C ATOM 94 O GLU A 10 72.916 15.172 11.002 1.00 0.00 O ATOM 95 CB GLU A 10 73.210 11.836 10.084 1.00 0.00 C ATOM 96 CG GLU A 10 72.156 11.694 11.170 1.00 0.00 C ATOM 97 CD GLU A 10 71.967 10.257 11.614 1.00 0.00 C ATOM 98 OE1 GLU A 10 72.275 9.345 10.818 1.00 0.00 O ATOM 99 OE2 GLU A 10 71.511 10.043 12.757 1.00 0.00 O ATOM 0 H GLU A 10 74.389 13.676 12.085 1.00 0.00 H new ATOM 0 HA GLU A 10 74.530 13.281 9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 10 72.739 11.694 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 10 73.948 11.042 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 10 72.441 12.301 12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 10 71.207 12.085 10.803 1.00 0.00 H new ATOM 106 N TYR A 11 72.013 14.319 9.127 1.00 0.00 N ATOM 107 CA TYR A 11 70.983 15.345 9.025 1.00 0.00 C ATOM 108 C TYR A 11 69.625 14.725 8.712 1.00 0.00 C ATOM 109 O TYR A 11 69.538 13.575 8.283 1.00 0.00 O ATOM 110 CB TYR A 11 71.352 16.363 7.945 1.00 0.00 C ATOM 111 CG TYR A 11 72.478 17.290 8.346 1.00 0.00 C ATOM 112 CD1 TYR A 11 72.295 18.252 9.331 1.00 0.00 C ATOM 113 CD2 TYR A 11 73.725 17.202 7.740 1.00 0.00 C ATOM 114 CE1 TYR A 11 73.320 19.101 9.700 1.00 0.00 C ATOM 115 CE2 TYR A 11 74.757 18.046 8.103 1.00 0.00 C ATOM 116 CZ TYR A 11 74.549 18.994 9.084 1.00 0.00 C ATOM 117 OH TYR A 11 75.574 19.837 9.449 1.00 0.00 O ATOM 0 H TYR A 11 71.986 13.619 8.385 1.00 0.00 H new ATOM 0 HA TYR A 11 70.917 15.854 9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 11 71.637 15.830 7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 11 70.472 16.958 7.702 1.00 0.00 H new ATOM 0 HD1 TYR A 11 71.334 18.338 9.817 1.00 0.00 H new ATOM 0 HD2 TYR A 11 73.891 16.461 6.972 1.00 0.00 H new ATOM 0 HE1 TYR A 11 73.160 19.845 10.467 1.00 0.00 H new ATOM 0 HE2 TYR A 11 75.720 17.964 7.622 1.00 0.00 H new ATOM 0 HH TYR A 11 76.372 19.629 8.920 1.00 0.00 H new ATOM 127 N GLY A 12 68.564 15.497 8.929 1.00 0.00 N ATOM 128 CA GLY A 12 67.224 15.008 8.664 1.00 0.00 C ATOM 129 C GLY A 12 66.660 15.537 7.360 1.00 0.00 C ATOM 130 O GLY A 12 66.364 14.768 6.447 1.00 0.00 O ATOM 0 H GLY A 12 68.609 16.452 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 12 67.238 13.918 8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 12 66.567 15.297 9.484 1.00 0.00 H new ATOM 134 N MET A 13 66.510 16.855 7.274 1.00 0.00 N ATOM 135 CA MET A 13 65.978 17.486 6.071 1.00 0.00 C ATOM 136 C MET A 13 64.535 17.055 5.825 1.00 0.00 C ATOM 137 O MET A 13 64.186 16.554 4.756 1.00 0.00 O ATOM 138 CB MET A 13 66.842 17.133 4.859 1.00 0.00 C ATOM 139 CG MET A 13 68.091 17.990 4.734 1.00 0.00 C ATOM 140 SD MET A 13 68.915 17.788 3.142 1.00 0.00 S ATOM 141 CE MET A 13 70.415 18.727 3.416 1.00 0.00 C ATOM 0 H MET A 13 66.749 17.506 8.022 1.00 0.00 H new ATOM 0 HA MET A 13 65.996 18.566 6.218 1.00 0.00 H new ATOM 0 HB2 MET A 13 67.135 16.085 4.925 1.00 0.00 H new ATOM 0 HB3 MET A 13 66.245 17.241 3.953 1.00 0.00 H new ATOM 0 HG2 MET A 13 67.823 19.038 4.870 1.00 0.00 H new ATOM 0 HG3 MET A 13 68.785 17.732 5.534 1.00 0.00 H new ATOM 0 HE1 MET A 13 71.032 18.697 2.518 1.00 0.00 H new ATOM 0 HE2 MET A 13 70.160 19.761 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 13 70.967 18.295 4.250 1.00 0.00 H new ATOM 151 N PRO A 14 63.677 17.255 6.836 1.00 0.00 N ATOM 152 CA PRO A 14 62.258 16.894 6.752 1.00 0.00 C ATOM 153 C PRO A 14 61.487 17.792 5.791 1.00 0.00 C ATOM 154 O PRO A 14 62.081 18.508 4.984 1.00 0.00 O ATOM 155 CB PRO A 14 61.757 17.090 8.185 1.00 0.00 C ATOM 156 CG PRO A 14 62.685 18.094 8.777 1.00 0.00 C ATOM 157 CD PRO A 14 64.024 17.848 8.138 1.00 0.00 C ATOM 0 HA PRO A 14 62.117 15.883 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 14 60.727 17.446 8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 14 61.778 16.154 8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 14 62.339 19.109 8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 14 62.743 17.981 9.860 1.00 0.00 H new ATOM 0 HD2 PRO A 14 64.589 18.773 8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 14 64.637 17.174 8.736 1.00 0.00 H new ATOM 165 N SER A 15 60.162 17.750 5.882 1.00 0.00 N ATOM 166 CA SER A 15 59.310 18.558 5.018 1.00 0.00 C ATOM 167 C SER A 15 58.176 19.195 5.815 1.00 0.00 C ATOM 168 O SER A 15 57.866 18.767 6.927 1.00 0.00 O ATOM 169 CB SER A 15 58.736 17.702 3.887 1.00 0.00 C ATOM 170 OG SER A 15 58.115 18.509 2.902 1.00 0.00 O ATOM 0 H SER A 15 59.655 17.165 6.546 1.00 0.00 H new ATOM 0 HA SER A 15 59.920 19.353 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 15 59.533 17.115 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 15 58.012 16.996 4.293 1.00 0.00 H new ATOM 0 HG SER A 15 57.758 17.939 2.189 1.00 0.00 H new ATOM 176 N VAL A 16 57.559 20.221 5.238 1.00 0.00 N ATOM 177 CA VAL A 16 56.458 20.918 5.892 1.00 0.00 C ATOM 178 C VAL A 16 55.323 21.195 4.913 1.00 0.00 C ATOM 179 O VAL A 16 55.549 21.361 3.714 1.00 0.00 O ATOM 180 CB VAL A 16 56.924 22.250 6.510 1.00 0.00 C ATOM 181 CG1 VAL A 16 55.741 23.018 7.079 1.00 0.00 C ATOM 182 CG2 VAL A 16 57.974 22.000 7.582 1.00 0.00 C ATOM 0 H VAL A 16 57.803 20.588 4.318 1.00 0.00 H new ATOM 0 HA VAL A 16 56.098 20.264 6.686 1.00 0.00 H new ATOM 0 HB VAL A 16 57.376 22.857 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 16 56.090 23.956 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 16 55.027 23.229 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 16 55.257 22.421 7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 16 58.292 22.951 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 16 57.550 21.374 8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 16 58.833 21.495 7.139 1.00 0.00 H new ATOM 192 N THR A 17 54.099 21.243 5.431 1.00 0.00 N ATOM 193 CA THR A 17 52.928 21.499 4.603 1.00 0.00 C ATOM 194 C THR A 17 51.933 22.404 5.322 1.00 0.00 C ATOM 195 O THR A 17 52.108 22.724 6.498 1.00 0.00 O ATOM 196 CB THR A 17 52.221 20.188 4.210 1.00 0.00 C ATOM 197 OG1 THR A 17 51.867 19.451 5.385 1.00 0.00 O ATOM 198 CG2 THR A 17 53.115 19.337 3.321 1.00 0.00 C ATOM 0 H THR A 17 53.894 21.108 6.421 1.00 0.00 H new ATOM 0 HA THR A 17 53.282 21.997 3.700 1.00 0.00 H new ATOM 0 HB THR A 17 51.318 20.440 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 17 51.417 18.620 5.127 1.00 0.00 H new ATOM 0 HG21 THR A 17 52.595 18.417 3.056 1.00 0.00 H new ATOM 0 HG22 THR A 17 53.358 19.890 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 17 54.034 19.094 3.855 1.00 0.00 H new ATOM 206 N PHE A 18 50.890 22.813 4.608 1.00 0.00 N ATOM 207 CA PHE A 18 49.867 23.681 5.178 1.00 0.00 C ATOM 208 C PHE A 18 48.669 23.799 4.241 1.00 0.00 C ATOM 209 O PHE A 18 48.734 23.399 3.079 1.00 0.00 O ATOM 210 CB PHE A 18 50.446 25.069 5.461 1.00 0.00 C ATOM 211 CG PHE A 18 49.617 25.882 6.414 1.00 0.00 C ATOM 212 CD1 PHE A 18 49.673 25.645 7.778 1.00 0.00 C ATOM 213 CD2 PHE A 18 48.781 26.884 5.945 1.00 0.00 C ATOM 214 CE1 PHE A 18 48.910 26.391 8.656 1.00 0.00 C ATOM 215 CE2 PHE A 18 48.017 27.633 6.819 1.00 0.00 C ATOM 216 CZ PHE A 18 48.082 27.387 8.177 1.00 0.00 C ATOM 0 H PHE A 18 50.731 22.557 3.633 1.00 0.00 H new ATOM 0 HA PHE A 18 49.530 23.237 6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 18 51.451 24.958 5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 18 50.542 25.612 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 18 50.320 24.869 8.159 1.00 0.00 H new ATOM 0 HD2 PHE A 18 48.727 27.081 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 18 48.961 26.195 9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 18 47.369 28.410 6.441 1.00 0.00 H new ATOM 0 HZ PHE A 18 47.487 27.972 8.862 1.00 0.00 H new ATOM 226 N GLY A 19 47.574 24.351 4.755 1.00 0.00 N ATOM 227 CA GLY A 19 46.376 24.512 3.952 1.00 0.00 C ATOM 228 C GLY A 19 45.266 25.221 4.701 1.00 0.00 C ATOM 229 O GLY A 19 45.376 25.465 5.903 1.00 0.00 O ATOM 0 H GLY A 19 47.495 24.690 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 19 46.619 25.075 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 19 46.024 23.532 3.630 1.00 0.00 H new ATOM 233 N SER A 20 44.194 25.556 3.990 1.00 0.00 N ATOM 234 CA SER A 20 43.061 26.247 4.594 1.00 0.00 C ATOM 235 C SER A 20 41.899 26.347 3.611 1.00 0.00 C ATOM 236 O SER A 20 42.074 26.759 2.464 1.00 0.00 O ATOM 237 CB SER A 20 43.477 27.645 5.055 1.00 0.00 C ATOM 238 OG SER A 20 43.713 28.497 3.947 1.00 0.00 O ATOM 0 H SER A 20 44.086 25.360 2.995 1.00 0.00 H new ATOM 0 HA SER A 20 42.733 25.670 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 20 42.697 28.071 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 20 44.378 27.577 5.665 1.00 0.00 H new ATOM 0 HG SER A 20 43.976 29.385 4.267 1.00 0.00 H new ATOM 244 N VAL A 21 40.710 25.968 4.069 1.00 0.00 N ATOM 245 CA VAL A 21 39.517 26.016 3.232 1.00 0.00 C ATOM 246 C VAL A 21 38.511 27.028 3.766 1.00 0.00 C ATOM 247 O VAL A 21 38.661 27.544 4.874 1.00 0.00 O ATOM 248 CB VAL A 21 38.840 24.635 3.141 1.00 0.00 C ATOM 249 CG1 VAL A 21 39.780 23.620 2.508 1.00 0.00 C ATOM 250 CG2 VAL A 21 38.390 24.171 4.517 1.00 0.00 C ATOM 0 H VAL A 21 40.547 25.624 5.015 1.00 0.00 H new ATOM 0 HA VAL A 21 39.841 26.321 2.237 1.00 0.00 H new ATOM 0 HB VAL A 21 37.958 24.723 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 21 39.285 22.651 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 21 40.048 23.949 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 21 40.682 23.532 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 37.914 23.194 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 21 39.254 24.099 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 21 37.679 24.887 4.928 1.00 0.00 H new ATOM 260 N HIS A 22 37.483 27.309 2.971 1.00 0.00 N ATOM 261 CA HIS A 22 36.450 28.260 3.365 1.00 0.00 C ATOM 262 C HIS A 22 35.060 27.653 3.198 1.00 0.00 C ATOM 263 O HIS A 22 34.814 26.841 2.306 1.00 0.00 O ATOM 264 CB HIS A 22 36.563 29.540 2.536 1.00 0.00 C ATOM 265 CG HIS A 22 36.667 29.292 1.062 1.00 0.00 C ATOM 266 ND1 HIS A 22 37.576 28.590 0.345 1.00 0.00 N flip ATOM 267 CD2 HIS A 22 35.766 29.796 0.148 1.00 0.00 C flip ATOM 268 CE1 HIS A 22 37.210 28.680 -0.975 1.00 0.00 C flip ATOM 269 NE2 HIS A 22 36.114 29.413 -1.067 1.00 0.00 N flip ATOM 0 H HIS A 22 37.343 26.892 2.051 1.00 0.00 H new ATOM 0 HA HIS A 22 36.597 28.503 4.417 1.00 0.00 H new ATOM 0 HB2 HIS A 22 35.693 30.167 2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 22 37.439 30.100 2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 22 34.909 30.408 0.388 1.00 0.00 H new ATOM 0 HE1 HIS A 22 37.733 28.226 -1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 22 35.621 29.644 -1.930 1.00 0.00 H new ATOM 278 N PRO A 23 34.129 28.054 4.076 1.00 0.00 N ATOM 279 CA PRO A 23 32.749 27.561 4.047 1.00 0.00 C ATOM 280 C PRO A 23 31.974 28.079 2.840 1.00 0.00 C ATOM 281 O PRO A 23 32.461 28.931 2.097 1.00 0.00 O ATOM 282 CB PRO A 23 32.148 28.110 5.344 1.00 0.00 C ATOM 283 CG PRO A 23 32.962 29.318 5.656 1.00 0.00 C ATOM 284 CD PRO A 23 34.352 29.020 5.166 1.00 0.00 C ATOM 0 HA PRO A 23 32.706 26.475 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 23 31.096 28.364 5.217 1.00 0.00 H new ATOM 0 HB3 PRO A 23 32.204 27.376 6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 23 32.555 30.201 5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 23 32.961 29.523 6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 23 34.854 29.919 4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 23 34.975 28.599 5.955 1.00 0.00 H new ATOM 292 N SER A 24 30.765 27.561 2.652 1.00 0.00 N ATOM 293 CA SER A 24 29.924 27.969 1.532 1.00 0.00 C ATOM 294 C SER A 24 28.817 28.909 2.000 1.00 0.00 C ATOM 295 O SER A 24 27.915 28.507 2.736 1.00 0.00 O ATOM 296 CB SER A 24 29.314 26.742 0.852 1.00 0.00 C ATOM 297 OG SER A 24 30.279 26.058 0.072 1.00 0.00 O ATOM 0 H SER A 24 30.345 26.858 3.260 1.00 0.00 H new ATOM 0 HA SER A 24 30.549 28.500 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 24 28.908 26.068 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 24 28.482 27.050 0.219 1.00 0.00 H new ATOM 0 HG SER A 24 29.864 25.277 -0.350 1.00 0.00 H new ATOM 303 N ASP A 25 28.891 30.162 1.566 1.00 0.00 N ATOM 304 CA ASP A 25 27.896 31.161 1.938 1.00 0.00 C ATOM 305 C ASP A 25 26.742 31.176 0.940 1.00 0.00 C ATOM 306 O ASP A 25 26.748 31.947 -0.020 1.00 0.00 O ATOM 307 CB ASP A 25 28.537 32.547 2.017 1.00 0.00 C ATOM 308 CG ASP A 25 29.209 32.948 0.718 1.00 0.00 C ATOM 309 OD1 ASP A 25 30.104 32.209 0.260 1.00 0.00 O ATOM 310 OD2 ASP A 25 28.839 34.003 0.160 1.00 0.00 O ATOM 0 H ASP A 25 29.630 30.511 0.956 1.00 0.00 H new ATOM 0 HA ASP A 25 27.501 30.897 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 25 27.774 33.283 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 25 29.272 32.559 2.822 1.00 0.00 H new ATOM 315 N VAL A 26 25.754 30.318 1.172 1.00 0.00 N ATOM 316 CA VAL A 26 24.594 30.232 0.293 1.00 0.00 C ATOM 317 C VAL A 26 23.493 29.383 0.918 1.00 0.00 C ATOM 318 O VAL A 26 23.754 28.309 1.461 1.00 0.00 O ATOM 319 CB VAL A 26 24.970 29.638 -1.077 1.00 0.00 C ATOM 320 CG1 VAL A 26 25.645 28.286 -0.906 1.00 0.00 C ATOM 321 CG2 VAL A 26 23.738 29.521 -1.963 1.00 0.00 C ATOM 0 H VAL A 26 25.734 29.672 1.961 1.00 0.00 H new ATOM 0 HA VAL A 26 24.229 31.249 0.151 1.00 0.00 H new ATOM 0 HB VAL A 26 25.677 30.310 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.903 27.882 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 26 26.551 28.404 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.965 27.601 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 26 24.022 29.099 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.006 28.871 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.303 30.509 -2.113 1.00 0.00 H new ATOM 331 N LEU A 27 22.259 29.870 0.837 1.00 0.00 N ATOM 332 CA LEU A 27 21.116 29.156 1.394 1.00 0.00 C ATOM 333 C LEU A 27 20.854 27.864 0.626 1.00 0.00 C ATOM 334 O LEU A 27 20.917 27.838 -0.603 1.00 0.00 O ATOM 335 CB LEU A 27 19.870 30.043 1.362 1.00 0.00 C ATOM 336 CG LEU A 27 19.695 30.996 2.545 1.00 0.00 C ATOM 337 CD1 LEU A 27 20.351 32.337 2.253 1.00 0.00 C ATOM 338 CD2 LEU A 27 18.219 31.181 2.867 1.00 0.00 C ATOM 0 H LEU A 27 22.025 30.757 0.391 1.00 0.00 H new ATOM 0 HA LEU A 27 21.347 28.902 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.892 30.633 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 27 18.992 29.400 1.306 1.00 0.00 H new ATOM 0 HG LEU A 27 20.184 30.558 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 27 20.216 33.002 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 21.416 32.190 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 27 19.892 32.782 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.113 31.862 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.707 31.596 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.778 30.217 3.121 1.00 0.00 H new ATOM 350 N ASP A 28 20.558 26.796 1.358 1.00 0.00 N ATOM 351 CA ASP A 28 20.283 25.502 0.746 1.00 0.00 C ATOM 352 C ASP A 28 18.782 25.238 0.684 1.00 0.00 C ATOM 353 O ASP A 28 18.171 24.841 1.676 1.00 0.00 O ATOM 354 CB ASP A 28 20.978 24.386 1.528 1.00 0.00 C ATOM 355 CG ASP A 28 22.452 24.275 1.191 1.00 0.00 C ATOM 356 OD1 ASP A 28 23.262 24.974 1.836 1.00 0.00 O ATOM 357 OD2 ASP A 28 22.796 23.489 0.283 1.00 0.00 O ATOM 0 H ASP A 28 20.502 26.801 2.376 1.00 0.00 H new ATOM 0 HA ASP A 28 20.673 25.519 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 28 20.865 24.570 2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.487 23.437 1.315 1.00 0.00 H new ATOM 362 N MET A 29 18.194 25.463 -0.486 1.00 0.00 N ATOM 363 CA MET A 29 16.764 25.249 -0.677 1.00 0.00 C ATOM 364 C MET A 29 16.509 24.026 -1.553 1.00 0.00 C ATOM 365 O MET A 29 16.313 24.131 -2.764 1.00 0.00 O ATOM 366 CB MET A 29 16.122 26.486 -1.307 1.00 0.00 C ATOM 367 CG MET A 29 14.656 26.661 -0.944 1.00 0.00 C ATOM 368 SD MET A 29 13.549 25.843 -2.108 1.00 0.00 S ATOM 369 CE MET A 29 11.976 26.039 -1.274 1.00 0.00 C ATOM 0 H MET A 29 18.685 25.794 -1.316 1.00 0.00 H new ATOM 0 HA MET A 29 16.314 25.073 0.300 1.00 0.00 H new ATOM 0 HB2 MET A 29 16.674 27.372 -0.993 1.00 0.00 H new ATOM 0 HB3 MET A 29 16.214 26.421 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 29 14.484 26.263 0.056 1.00 0.00 H new ATOM 0 HG3 MET A 29 14.419 27.724 -0.909 1.00 0.00 H new ATOM 0 HE1 MET A 29 11.202 25.506 -1.827 1.00 0.00 H new ATOM 0 HE2 MET A 29 12.046 25.633 -0.265 1.00 0.00 H new ATOM 0 HE3 MET A 29 11.721 27.098 -1.222 1.00 0.00 H new ATOM 379 N PRO A 30 16.513 22.839 -0.929 1.00 0.00 N ATOM 380 CA PRO A 30 16.283 21.574 -1.633 1.00 0.00 C ATOM 381 C PRO A 30 14.842 21.430 -2.111 1.00 0.00 C ATOM 382 O PRO A 30 14.028 22.338 -1.944 1.00 0.00 O ATOM 383 CB PRO A 30 16.604 20.516 -0.576 1.00 0.00 C ATOM 384 CG PRO A 30 16.369 21.199 0.727 1.00 0.00 C ATOM 385 CD PRO A 30 16.740 22.640 0.512 1.00 0.00 C ATOM 0 HA PRO A 30 16.890 21.493 -2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.964 19.640 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 30 17.634 20.170 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.327 21.106 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 30 16.975 20.754 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 30 16.122 23.308 1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 30 17.777 22.833 0.786 1.00 0.00 H new ATOM 393 N VAL A 31 14.532 20.282 -2.705 1.00 0.00 N ATOM 394 CA VAL A 31 13.188 20.018 -3.205 1.00 0.00 C ATOM 395 C VAL A 31 12.160 20.086 -2.081 1.00 0.00 C ATOM 396 O VAL A 31 12.507 19.996 -0.903 1.00 0.00 O ATOM 397 CB VAL A 31 13.102 18.637 -3.882 1.00 0.00 C ATOM 398 CG1 VAL A 31 13.320 17.529 -2.863 1.00 0.00 C ATOM 399 CG2 VAL A 31 11.763 18.471 -4.585 1.00 0.00 C ATOM 0 H VAL A 31 15.194 19.520 -2.852 1.00 0.00 H new ATOM 0 HA VAL A 31 12.967 20.790 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 31 13.890 18.569 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.256 16.561 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.305 17.640 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.555 17.591 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.719 17.490 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.956 18.559 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.652 19.245 -5.345 1.00 0.00 H new ATOM 409 N ASP A 32 10.895 20.245 -2.453 1.00 0.00 N ATOM 410 CA ASP A 32 9.815 20.323 -1.476 1.00 0.00 C ATOM 411 C ASP A 32 8.612 19.502 -1.929 1.00 0.00 C ATOM 412 O ASP A 32 8.404 19.264 -3.119 1.00 0.00 O ATOM 413 CB ASP A 32 9.401 21.779 -1.257 1.00 0.00 C ATOM 414 CG ASP A 32 10.548 22.746 -1.475 1.00 0.00 C ATOM 415 OD1 ASP A 32 10.911 22.983 -2.647 1.00 0.00 O ATOM 416 OD2 ASP A 32 11.083 23.267 -0.474 1.00 0.00 O ATOM 0 H ASP A 32 10.592 20.322 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 32 10.179 19.911 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.586 22.028 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.018 21.896 -0.243 1.00 0.00 H new ATOM 421 N PRO A 33 7.800 19.057 -0.959 1.00 0.00 N ATOM 422 CA PRO A 33 6.604 18.255 -1.234 1.00 0.00 C ATOM 423 C PRO A 33 5.506 19.065 -1.915 1.00 0.00 C ATOM 424 O PRO A 33 4.414 18.559 -2.169 1.00 0.00 O ATOM 425 CB PRO A 33 6.151 17.805 0.158 1.00 0.00 C ATOM 426 CG PRO A 33 6.688 18.841 1.084 1.00 0.00 C ATOM 427 CD PRO A 33 7.986 19.302 0.481 1.00 0.00 C ATOM 0 HA PRO A 33 6.814 17.431 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.065 17.743 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.541 16.816 0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.989 19.671 1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.845 18.430 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.173 20.356 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.834 18.743 0.877 1.00 0.00 H new ATOM 435 N ASN A 34 5.805 20.326 -2.210 1.00 0.00 N ATOM 436 CA ASN A 34 4.843 21.207 -2.863 1.00 0.00 C ATOM 437 C ASN A 34 4.337 20.591 -4.163 1.00 0.00 C ATOM 438 O ASN A 34 3.132 20.435 -4.360 1.00 0.00 O ATOM 439 CB ASN A 34 5.477 22.570 -3.144 1.00 0.00 C ATOM 440 CG ASN A 34 5.496 23.463 -1.918 1.00 0.00 C ATOM 441 OD1 ASN A 34 5.146 23.034 -0.819 1.00 0.00 O ATOM 442 ND2 ASN A 34 5.906 24.713 -2.103 1.00 0.00 N ATOM 0 H ASN A 34 6.705 20.761 -2.007 1.00 0.00 H new ATOM 0 HA ASN A 34 3.995 21.340 -2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.497 22.427 -3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.926 23.066 -3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.940 25.360 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.187 25.025 -3.032 1.00 0.00 H new ATOM 449 N GLU A 35 5.266 20.242 -5.048 1.00 0.00 N ATOM 450 CA GLU A 35 4.913 19.643 -6.330 1.00 0.00 C ATOM 451 C GLU A 35 4.038 18.409 -6.131 1.00 0.00 C ATOM 452 O GLU A 35 4.052 17.770 -5.079 1.00 0.00 O ATOM 453 CB GLU A 35 6.177 19.266 -7.106 1.00 0.00 C ATOM 454 CG GLU A 35 6.835 20.444 -7.805 1.00 0.00 C ATOM 455 CD GLU A 35 8.245 20.133 -8.269 1.00 0.00 C ATOM 456 OE1 GLU A 35 8.492 18.984 -8.692 1.00 0.00 O ATOM 457 OE2 GLU A 35 9.102 21.039 -8.209 1.00 0.00 O ATOM 0 H GLU A 35 6.268 20.364 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 35 4.349 20.378 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.894 18.815 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.925 18.508 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.230 20.737 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.859 21.297 -7.127 1.00 0.00 H new ATOM 464 N PRO A 36 3.257 18.066 -7.166 1.00 0.00 N ATOM 465 CA PRO A 36 2.360 16.907 -7.131 1.00 0.00 C ATOM 466 C PRO A 36 3.120 15.585 -7.140 1.00 0.00 C ATOM 467 O PRO A 36 4.157 15.458 -7.792 1.00 0.00 O ATOM 468 CB PRO A 36 1.534 17.058 -8.411 1.00 0.00 C ATOM 469 CG PRO A 36 2.400 17.851 -9.328 1.00 0.00 C ATOM 470 CD PRO A 36 3.189 18.783 -8.451 1.00 0.00 C ATOM 0 HA PRO A 36 1.760 16.884 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.287 16.087 -8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.591 17.569 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.061 17.200 -9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.800 18.407 -10.048 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.182 18.974 -8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.697 19.750 -8.346 1.00 0.00 H new ATOM 478 N THR A 37 2.598 14.602 -6.413 1.00 0.00 N ATOM 479 CA THR A 37 3.228 13.290 -6.337 1.00 0.00 C ATOM 480 C THR A 37 2.405 12.242 -7.077 1.00 0.00 C ATOM 481 O THR A 37 1.184 12.183 -6.934 1.00 0.00 O ATOM 482 CB THR A 37 3.416 12.841 -4.875 1.00 0.00 C ATOM 483 OG1 THR A 37 2.141 12.694 -4.240 1.00 0.00 O ATOM 484 CG2 THR A 37 4.260 13.846 -4.105 1.00 0.00 C ATOM 0 H THR A 37 1.740 14.690 -5.868 1.00 0.00 H new ATOM 0 HA THR A 37 4.206 13.381 -6.810 1.00 0.00 H new ATOM 0 HB THR A 37 3.933 11.882 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.269 12.407 -3.312 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.379 13.508 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.240 13.933 -4.574 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.766 14.818 -4.113 1.00 0.00 H new ATOM 492 N TYR A 38 3.082 11.415 -7.866 1.00 0.00 N ATOM 493 CA TYR A 38 2.412 10.369 -8.630 1.00 0.00 C ATOM 494 C TYR A 38 2.841 8.985 -8.151 1.00 0.00 C ATOM 495 O TYR A 38 2.020 8.192 -7.689 1.00 0.00 O ATOM 496 CB TYR A 38 2.718 10.522 -10.121 1.00 0.00 C ATOM 497 CG TYR A 38 2.113 11.763 -10.738 1.00 0.00 C ATOM 498 CD1 TYR A 38 2.677 13.014 -10.525 1.00 0.00 C ATOM 499 CD2 TYR A 38 0.978 11.682 -11.536 1.00 0.00 C ATOM 500 CE1 TYR A 38 2.127 14.150 -11.087 1.00 0.00 C ATOM 501 CE2 TYR A 38 0.422 12.813 -12.103 1.00 0.00 C ATOM 502 CZ TYR A 38 1.000 14.044 -11.875 1.00 0.00 C ATOM 503 OH TYR A 38 0.450 15.173 -12.438 1.00 0.00 O ATOM 0 H TYR A 38 4.093 11.449 -7.993 1.00 0.00 H new ATOM 0 HA TYR A 38 1.338 10.471 -8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.799 10.546 -10.261 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.348 9.645 -10.651 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.560 13.100 -9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.523 10.719 -11.716 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.577 15.116 -10.910 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.460 12.733 -12.721 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.338 14.925 -12.965 1.00 0.00 H new ATOM 513 N CYS A 39 4.135 8.702 -8.264 1.00 0.00 N ATOM 514 CA CYS A 39 4.676 7.415 -7.843 1.00 0.00 C ATOM 515 C CYS A 39 3.975 6.916 -6.583 1.00 0.00 C ATOM 516 O CYS A 39 3.427 7.704 -5.811 1.00 0.00 O ATOM 517 CB CYS A 39 6.181 7.529 -7.592 1.00 0.00 C ATOM 518 SG CYS A 39 7.031 5.926 -7.432 1.00 0.00 S ATOM 0 H CYS A 39 4.828 9.347 -8.644 1.00 0.00 H new ATOM 0 HA CYS A 39 4.501 6.696 -8.643 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.634 8.088 -8.411 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.344 8.107 -6.682 1.00 0.00 H new ATOM 523 N LEU A 40 3.998 5.604 -6.381 1.00 0.00 N ATOM 524 CA LEU A 40 3.366 4.998 -5.214 1.00 0.00 C ATOM 525 C LEU A 40 3.908 5.605 -3.924 1.00 0.00 C ATOM 526 O LEU A 40 3.146 5.959 -3.023 1.00 0.00 O ATOM 527 CB LEU A 40 3.593 3.485 -5.214 1.00 0.00 C ATOM 528 CG LEU A 40 3.757 2.831 -6.586 1.00 0.00 C ATOM 529 CD1 LEU A 40 5.227 2.745 -6.964 1.00 0.00 C ATOM 530 CD2 LEU A 40 3.119 1.449 -6.598 1.00 0.00 C ATOM 0 H LEU A 40 4.447 4.939 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 40 2.296 5.199 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.484 3.271 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.753 3.012 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 40 3.249 3.450 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.324 2.277 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.653 3.748 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.759 2.149 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.245 0.998 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.598 0.821 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.056 1.537 -6.373 1.00 0.00 H new ATOM 542 N CYS A 41 5.229 5.726 -3.843 1.00 0.00 N ATOM 543 CA CYS A 41 5.874 6.292 -2.665 1.00 0.00 C ATOM 544 C CYS A 41 5.292 7.663 -2.331 1.00 0.00 C ATOM 545 O CYS A 41 5.463 8.169 -1.221 1.00 0.00 O ATOM 546 CB CYS A 41 7.383 6.409 -2.890 1.00 0.00 C ATOM 547 SG CYS A 41 7.852 7.618 -4.170 1.00 0.00 S ATOM 0 H CYS A 41 5.874 5.439 -4.580 1.00 0.00 H new ATOM 0 HA CYS A 41 5.689 5.623 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 41 7.859 6.688 -1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.775 5.431 -3.168 1.00 0.00 H new ATOM 552 N HIS A 42 4.601 8.258 -3.298 1.00 0.00 N ATOM 553 CA HIS A 42 3.992 9.569 -3.108 1.00 0.00 C ATOM 554 C HIS A 42 5.060 10.653 -2.997 1.00 0.00 C ATOM 555 O HIS A 42 5.032 11.473 -2.080 1.00 0.00 O ATOM 556 CB HIS A 42 3.116 9.570 -1.854 1.00 0.00 C ATOM 557 CG HIS A 42 2.142 8.434 -1.803 1.00 0.00 C ATOM 558 ND1 HIS A 42 1.417 7.845 -2.783 1.00 0.00 N flip ATOM 559 CD2 HIS A 42 1.818 7.772 -0.638 1.00 0.00 C flip ATOM 560 CE1 HIS A 42 0.678 6.846 -2.198 1.00 0.00 C flip ATOM 561 NE2 HIS A 42 0.938 6.823 -0.904 1.00 0.00 N flip ATOM 0 H HIS A 42 4.449 7.853 -4.222 1.00 0.00 H new ATOM 0 HA HIS A 42 3.370 9.784 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.757 9.528 -0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.567 10.511 -1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.221 7.994 0.339 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.005 6.186 -2.713 1.00 0.00 H new ATOM 0 HE2 HIS A 42 0.529 6.181 -0.225 1.00 0.00 H new ATOM 570 N GLN A 43 5.999 10.650 -3.938 1.00 0.00 N ATOM 571 CA GLN A 43 7.076 11.633 -3.945 1.00 0.00 C ATOM 572 C GLN A 43 6.927 12.596 -5.119 1.00 0.00 C ATOM 573 O GLN A 43 6.182 12.331 -6.062 1.00 0.00 O ATOM 574 CB GLN A 43 8.434 10.932 -4.014 1.00 0.00 C ATOM 575 CG GLN A 43 8.915 10.406 -2.671 1.00 0.00 C ATOM 576 CD GLN A 43 8.672 11.384 -1.539 1.00 0.00 C ATOM 577 OE1 GLN A 43 9.322 12.427 -1.455 1.00 0.00 O ATOM 578 NE2 GLN A 43 7.733 11.053 -0.661 1.00 0.00 N ATOM 0 H GLN A 43 6.036 9.978 -4.705 1.00 0.00 H new ATOM 0 HA GLN A 43 7.017 12.206 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.370 10.102 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.174 11.629 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.407 9.467 -2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.981 10.185 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.219 10.179 -0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.526 11.673 0.122 1.00 0.00 H new ATOM 587 N VAL A 44 7.642 13.715 -5.054 1.00 0.00 N ATOM 588 CA VAL A 44 7.590 14.717 -6.112 1.00 0.00 C ATOM 589 C VAL A 44 8.405 14.279 -7.324 1.00 0.00 C ATOM 590 O VAL A 44 9.616 14.081 -7.232 1.00 0.00 O ATOM 591 CB VAL A 44 8.114 16.079 -5.620 1.00 0.00 C ATOM 592 CG1 VAL A 44 7.159 16.682 -4.601 1.00 0.00 C ATOM 593 CG2 VAL A 44 9.510 15.933 -5.034 1.00 0.00 C ATOM 0 H VAL A 44 8.264 13.950 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 44 6.544 14.820 -6.400 1.00 0.00 H new ATOM 0 HB VAL A 44 8.172 16.756 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.546 17.644 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.180 16.824 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.066 16.010 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.864 16.905 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.481 15.240 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.187 15.549 -5.797 1.00 0.00 H new ATOM 603 N SER A 45 7.731 14.129 -8.460 1.00 0.00 N ATOM 604 CA SER A 45 8.391 13.712 -9.691 1.00 0.00 C ATOM 605 C SER A 45 9.552 14.643 -10.028 1.00 0.00 C ATOM 606 O SER A 45 9.400 15.864 -10.039 1.00 0.00 O ATOM 607 CB SER A 45 7.391 13.686 -10.848 1.00 0.00 C ATOM 608 OG SER A 45 6.944 14.994 -11.165 1.00 0.00 O ATOM 0 H SER A 45 6.728 14.290 -8.553 1.00 0.00 H new ATOM 0 HA SER A 45 8.786 12.707 -9.539 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.856 13.235 -11.725 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.538 13.061 -10.582 1.00 0.00 H new ATOM 0 HG SER A 45 6.307 14.951 -11.909 1.00 0.00 H new ATOM 614 N TYR A 46 10.712 14.056 -10.301 1.00 0.00 N ATOM 615 CA TYR A 46 11.901 14.831 -10.635 1.00 0.00 C ATOM 616 C TYR A 46 12.298 14.619 -12.093 1.00 0.00 C ATOM 617 O TYR A 46 12.375 15.567 -12.872 1.00 0.00 O ATOM 618 CB TYR A 46 13.062 14.446 -9.717 1.00 0.00 C ATOM 619 CG TYR A 46 12.898 13.090 -9.070 1.00 0.00 C ATOM 620 CD1 TYR A 46 12.249 12.955 -7.849 1.00 0.00 C ATOM 621 CD2 TYR A 46 13.390 11.942 -9.680 1.00 0.00 C ATOM 622 CE1 TYR A 46 12.097 11.718 -7.253 1.00 0.00 C ATOM 623 CE2 TYR A 46 13.241 10.701 -9.093 1.00 0.00 C ATOM 624 CZ TYR A 46 12.595 10.594 -7.879 1.00 0.00 C ATOM 625 OH TYR A 46 12.445 9.359 -7.290 1.00 0.00 O ATOM 0 H TYR A 46 10.854 13.046 -10.298 1.00 0.00 H new ATOM 0 HA TYR A 46 11.668 15.886 -10.491 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.988 14.455 -10.293 1.00 0.00 H new ATOM 0 HB3 TYR A 46 13.164 15.201 -8.938 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.856 13.833 -7.357 1.00 0.00 H new ATOM 0 HD2 TYR A 46 13.898 12.022 -10.630 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.591 11.631 -6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.628 9.819 -9.582 1.00 0.00 H new ATOM 0 HH TYR A 46 11.608 9.339 -6.780 1.00 0.00 H new ATOM 635 N GLY A 47 12.549 13.364 -12.454 1.00 0.00 N ATOM 636 CA GLY A 47 12.934 13.047 -13.817 1.00 0.00 C ATOM 637 C GLY A 47 12.901 11.558 -14.097 1.00 0.00 C ATOM 638 O GLY A 47 12.349 11.122 -15.107 1.00 0.00 O ATOM 0 H GLY A 47 12.493 12.561 -11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.265 13.559 -14.509 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.938 13.427 -14.005 1.00 0.00 H new ATOM 642 N GLU A 48 13.496 10.775 -13.203 1.00 0.00 N ATOM 643 CA GLU A 48 13.534 9.326 -13.361 1.00 0.00 C ATOM 644 C GLU A 48 12.126 8.740 -13.347 1.00 0.00 C ATOM 645 O GLU A 48 11.592 8.406 -12.290 1.00 0.00 O ATOM 646 CB GLU A 48 14.374 8.691 -12.251 1.00 0.00 C ATOM 647 CG GLU A 48 15.793 9.229 -12.177 1.00 0.00 C ATOM 648 CD GLU A 48 16.586 8.630 -11.032 1.00 0.00 C ATOM 649 OE1 GLU A 48 17.173 7.544 -11.220 1.00 0.00 O ATOM 650 OE2 GLU A 48 16.618 9.248 -9.947 1.00 0.00 O ATOM 0 H GLU A 48 13.958 11.120 -12.362 1.00 0.00 H new ATOM 0 HA GLU A 48 13.992 9.104 -14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.881 8.858 -11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.411 7.613 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.305 9.021 -13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.761 10.313 -12.064 1.00 0.00 H new ATOM 657 N MET A 49 11.529 8.619 -14.529 1.00 0.00 N ATOM 658 CA MET A 49 10.183 8.073 -14.653 1.00 0.00 C ATOM 659 C MET A 49 10.039 7.270 -15.941 1.00 0.00 C ATOM 660 O MET A 49 10.776 7.485 -16.904 1.00 0.00 O ATOM 661 CB MET A 49 9.148 9.199 -14.621 1.00 0.00 C ATOM 662 CG MET A 49 9.203 10.040 -13.356 1.00 0.00 C ATOM 663 SD MET A 49 7.704 11.009 -13.101 1.00 0.00 S ATOM 664 CE MET A 49 6.919 10.079 -11.787 1.00 0.00 C ATOM 0 H MET A 49 11.957 8.892 -15.414 1.00 0.00 H new ATOM 0 HA MET A 49 10.009 7.406 -13.809 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.301 9.846 -15.485 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.151 8.768 -14.718 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.360 9.388 -12.497 1.00 0.00 H new ATOM 0 HG3 MET A 49 10.060 10.711 -13.407 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.003 10.584 -11.481 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.679 9.077 -12.143 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.597 10.009 -10.936 1.00 0.00 H new ATOM 674 N ILE A 50 9.086 6.344 -15.952 1.00 0.00 N ATOM 675 CA ILE A 50 8.845 5.510 -17.123 1.00 0.00 C ATOM 676 C ILE A 50 7.398 5.622 -17.591 1.00 0.00 C ATOM 677 O ILE A 50 7.108 5.507 -18.781 1.00 0.00 O ATOM 678 CB ILE A 50 9.167 4.031 -16.837 1.00 0.00 C ATOM 679 CG1 ILE A 50 7.967 3.342 -16.184 1.00 0.00 C ATOM 680 CG2 ILE A 50 10.397 3.919 -15.948 1.00 0.00 C ATOM 681 CD1 ILE A 50 7.835 3.630 -14.705 1.00 0.00 C ATOM 0 H ILE A 50 8.468 6.152 -15.163 1.00 0.00 H new ATOM 0 HA ILE A 50 9.507 5.873 -17.909 1.00 0.00 H new ATOM 0 HB ILE A 50 9.379 3.531 -17.782 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.056 3.660 -16.690 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.053 2.265 -16.330 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.612 2.868 -15.755 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.250 4.378 -16.448 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.211 4.431 -15.004 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.963 3.109 -14.309 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.730 3.286 -14.186 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.717 4.703 -14.552 1.00 0.00 H new ATOM 693 N GLY A 51 6.492 5.850 -16.644 1.00 0.00 N ATOM 694 CA GLY A 51 5.086 5.976 -16.979 1.00 0.00 C ATOM 695 C GLY A 51 4.492 4.677 -17.487 1.00 0.00 C ATOM 696 O GLY A 51 4.757 4.265 -18.617 1.00 0.00 O ATOM 0 H GLY A 51 6.707 5.950 -15.652 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.534 6.304 -16.098 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.964 6.749 -17.738 1.00 0.00 H new ATOM 700 N CYS A 52 3.687 4.030 -16.651 1.00 0.00 N ATOM 701 CA CYS A 52 3.055 2.769 -17.021 1.00 0.00 C ATOM 702 C CYS A 52 2.546 2.816 -18.458 1.00 0.00 C ATOM 703 O CYS A 52 1.901 3.782 -18.868 1.00 0.00 O ATOM 704 CB CYS A 52 1.899 2.456 -16.068 1.00 0.00 C ATOM 705 SG CYS A 52 1.329 0.727 -16.135 1.00 0.00 S ATOM 0 H CYS A 52 3.457 4.358 -15.713 1.00 0.00 H new ATOM 0 HA CYS A 52 3.803 1.980 -16.946 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.210 2.686 -15.049 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.061 3.113 -16.302 1.00 0.00 H new ATOM 710 N ASP A 53 2.839 1.767 -19.219 1.00 0.00 N ATOM 711 CA ASP A 53 2.410 1.687 -20.610 1.00 0.00 C ATOM 712 C ASP A 53 0.890 1.616 -20.707 1.00 0.00 C ATOM 713 O ASP A 53 0.304 2.002 -21.717 1.00 0.00 O ATOM 714 CB ASP A 53 3.035 0.468 -21.290 1.00 0.00 C ATOM 715 CG ASP A 53 2.636 0.350 -22.748 1.00 0.00 C ATOM 716 OD1 ASP A 53 3.102 1.178 -23.558 1.00 0.00 O ATOM 717 OD2 ASP A 53 1.858 -0.570 -23.078 1.00 0.00 O ATOM 0 H ASP A 53 3.372 0.960 -18.895 1.00 0.00 H new ATOM 0 HA ASP A 53 2.746 2.590 -21.120 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.121 0.532 -21.218 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.733 -0.435 -20.759 1.00 0.00 H new ATOM 722 N ASN A 54 0.257 1.119 -19.649 1.00 0.00 N ATOM 723 CA ASN A 54 -1.196 0.996 -19.615 1.00 0.00 C ATOM 724 C ASN A 54 -1.855 2.364 -19.466 1.00 0.00 C ATOM 725 O ASN A 54 -1.631 3.085 -18.494 1.00 0.00 O ATOM 726 CB ASN A 54 -1.624 0.083 -18.465 1.00 0.00 C ATOM 727 CG ASN A 54 -3.132 -0.049 -18.362 1.00 0.00 C ATOM 728 OD1 ASN A 54 -3.857 0.227 -19.318 1.00 0.00 O ATOM 729 ND2 ASN A 54 -3.610 -0.473 -17.198 1.00 0.00 N ATOM 0 H ASN A 54 0.727 0.795 -18.804 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.521 0.557 -20.559 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.184 -0.904 -18.606 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.231 0.476 -17.527 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.616 -0.582 -17.069 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.971 -0.690 -16.433 1.00 0.00 H new ATOM 736 N PRO A 55 -2.687 2.730 -20.452 1.00 0.00 N ATOM 737 CA PRO A 55 -3.397 4.013 -20.453 1.00 0.00 C ATOM 738 C PRO A 55 -4.480 4.077 -19.382 1.00 0.00 C ATOM 739 O PRO A 55 -4.926 5.159 -19.001 1.00 0.00 O ATOM 740 CB PRO A 55 -4.021 4.071 -21.849 1.00 0.00 C ATOM 741 CG PRO A 55 -4.161 2.647 -22.262 1.00 0.00 C ATOM 742 CD PRO A 55 -3.000 1.920 -21.641 1.00 0.00 C ATOM 0 HA PRO A 55 -2.731 4.848 -20.233 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.988 4.574 -21.830 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.388 4.624 -22.543 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.109 2.233 -21.920 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.145 2.552 -23.348 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.264 0.897 -21.372 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.151 1.862 -22.322 1.00 0.00 H new ATOM 750 N ASP A 56 -4.898 2.912 -18.900 1.00 0.00 N ATOM 751 CA ASP A 56 -5.929 2.836 -17.870 1.00 0.00 C ATOM 752 C ASP A 56 -5.354 3.181 -16.500 1.00 0.00 C ATOM 753 O ASP A 56 -5.999 3.855 -15.696 1.00 0.00 O ATOM 754 CB ASP A 56 -6.548 1.438 -17.840 1.00 0.00 C ATOM 755 CG ASP A 56 -7.550 1.225 -18.958 1.00 0.00 C ATOM 756 OD1 ASP A 56 -8.688 1.725 -18.838 1.00 0.00 O ATOM 757 OD2 ASP A 56 -7.196 0.558 -19.952 1.00 0.00 O ATOM 0 H ASP A 56 -4.539 2.007 -19.205 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.704 3.563 -18.112 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.757 0.692 -17.918 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.040 1.282 -16.880 1.00 0.00 H new ATOM 762 N CYS A 57 -4.138 2.714 -16.239 1.00 0.00 N ATOM 763 CA CYS A 57 -3.476 2.970 -14.966 1.00 0.00 C ATOM 764 C CYS A 57 -3.655 4.426 -14.544 1.00 0.00 C ATOM 765 O CYS A 57 -3.267 5.345 -15.265 1.00 0.00 O ATOM 766 CB CYS A 57 -1.986 2.636 -15.065 1.00 0.00 C ATOM 767 SG CYS A 57 -1.223 2.165 -13.479 1.00 0.00 S ATOM 0 H CYS A 57 -3.590 2.155 -16.893 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.935 2.331 -14.211 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.854 1.820 -15.776 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.457 3.499 -15.468 1.00 0.00 H new ATOM 772 N SER A 58 -4.245 4.628 -13.370 1.00 0.00 N ATOM 773 CA SER A 58 -4.479 5.971 -12.853 1.00 0.00 C ATOM 774 C SER A 58 -3.159 6.696 -12.608 1.00 0.00 C ATOM 775 O SER A 58 -2.970 7.830 -13.050 1.00 0.00 O ATOM 776 CB SER A 58 -5.287 5.907 -11.555 1.00 0.00 C ATOM 777 OG SER A 58 -6.679 5.940 -11.820 1.00 0.00 O ATOM 0 H SER A 58 -4.570 3.878 -12.759 1.00 0.00 H new ATOM 0 HA SER A 58 -5.046 6.527 -13.599 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.038 4.995 -11.012 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.016 6.744 -10.912 1.00 0.00 H new ATOM 0 HG SER A 58 -7.174 5.896 -10.975 1.00 0.00 H new ATOM 783 N ILE A 59 -2.249 6.034 -11.901 1.00 0.00 N ATOM 784 CA ILE A 59 -0.947 6.614 -11.597 1.00 0.00 C ATOM 785 C ILE A 59 -0.084 6.711 -12.851 1.00 0.00 C ATOM 786 O ILE A 59 0.362 7.795 -13.226 1.00 0.00 O ATOM 787 CB ILE A 59 -0.198 5.790 -10.534 1.00 0.00 C ATOM 788 CG1 ILE A 59 -1.075 5.597 -9.295 1.00 0.00 C ATOM 789 CG2 ILE A 59 1.111 6.470 -10.162 1.00 0.00 C ATOM 790 CD1 ILE A 59 -0.550 4.548 -8.340 1.00 0.00 C ATOM 0 H ILE A 59 -2.390 5.095 -11.528 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.130 7.615 -11.206 1.00 0.00 H new ATOM 0 HB ILE A 59 0.030 4.809 -10.951 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.159 6.547 -8.768 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.080 5.318 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.629 5.875 -9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.739 6.560 -11.048 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.904 7.462 -9.761 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.222 4.465 -7.486 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.492 3.587 -8.851 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.443 4.835 -7.994 1.00 0.00 H new ATOM 802 N GLU A 60 0.147 5.571 -13.494 1.00 0.00 N ATOM 803 CA GLU A 60 0.957 5.529 -14.706 1.00 0.00 C ATOM 804 C GLU A 60 2.170 6.446 -14.582 1.00 0.00 C ATOM 805 O GLU A 60 2.534 7.142 -15.529 1.00 0.00 O ATOM 806 CB GLU A 60 0.119 5.935 -15.920 1.00 0.00 C ATOM 807 CG GLU A 60 -0.369 7.373 -15.869 1.00 0.00 C ATOM 808 CD GLU A 60 -1.230 7.739 -17.062 1.00 0.00 C ATOM 809 OE1 GLU A 60 -2.433 7.401 -17.052 1.00 0.00 O ATOM 810 OE2 GLU A 60 -0.702 8.362 -18.007 1.00 0.00 O ATOM 0 H GLU A 60 -0.215 4.665 -13.196 1.00 0.00 H new ATOM 0 HA GLU A 60 1.309 4.506 -14.842 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.712 5.793 -16.824 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.742 5.270 -15.995 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.939 7.527 -14.953 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.490 8.043 -15.826 1.00 0.00 H new ATOM 817 N TRP A 61 2.791 6.440 -13.408 1.00 0.00 N ATOM 818 CA TRP A 61 3.963 7.272 -13.159 1.00 0.00 C ATOM 819 C TRP A 61 4.703 6.810 -11.909 1.00 0.00 C ATOM 820 O TRP A 61 4.143 6.800 -10.812 1.00 0.00 O ATOM 821 CB TRP A 61 3.551 8.738 -13.010 1.00 0.00 C ATOM 822 CG TRP A 61 3.281 9.415 -14.320 1.00 0.00 C ATOM 823 CD1 TRP A 61 2.070 9.831 -14.793 1.00 0.00 C ATOM 824 CD2 TRP A 61 4.244 9.753 -15.324 1.00 0.00 C ATOM 825 NE1 TRP A 61 2.222 10.407 -16.032 1.00 0.00 N ATOM 826 CE2 TRP A 61 3.546 10.372 -16.379 1.00 0.00 C ATOM 827 CE3 TRP A 61 5.628 9.595 -15.433 1.00 0.00 C ATOM 828 CZ2 TRP A 61 4.187 10.830 -17.527 1.00 0.00 C ATOM 829 CZ3 TRP A 61 6.263 10.050 -16.574 1.00 0.00 C ATOM 830 CH2 TRP A 61 5.542 10.662 -17.608 1.00 0.00 C ATOM 0 H TRP A 61 2.503 5.869 -12.614 1.00 0.00 H new ATOM 0 HA TRP A 61 4.634 7.175 -14.012 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.657 8.796 -12.388 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.339 9.278 -12.486 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.131 9.723 -14.271 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.470 10.797 -16.601 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.192 9.126 -14.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.634 11.301 -18.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.332 9.932 -16.670 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.067 11.008 -18.486 1.00 0.00 H new ATOM 841 N PHE A 62 5.964 6.427 -12.080 1.00 0.00 N ATOM 842 CA PHE A 62 6.780 5.962 -10.965 1.00 0.00 C ATOM 843 C PHE A 62 8.255 6.277 -11.202 1.00 0.00 C ATOM 844 O PHE A 62 8.611 6.931 -12.183 1.00 0.00 O ATOM 845 CB PHE A 62 6.595 4.457 -10.762 1.00 0.00 C ATOM 846 CG PHE A 62 5.165 4.010 -10.867 1.00 0.00 C ATOM 847 CD1 PHE A 62 4.307 4.129 -9.785 1.00 0.00 C ATOM 848 CD2 PHE A 62 4.678 3.471 -12.047 1.00 0.00 C ATOM 849 CE1 PHE A 62 2.991 3.717 -9.879 1.00 0.00 C ATOM 850 CE2 PHE A 62 3.363 3.058 -12.146 1.00 0.00 C ATOM 851 CZ PHE A 62 2.518 3.183 -11.061 1.00 0.00 C ATOM 0 H PHE A 62 6.443 6.430 -12.981 1.00 0.00 H new ATOM 0 HA PHE A 62 6.454 6.485 -10.066 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.190 3.923 -11.503 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.983 4.180 -9.782 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.671 4.548 -8.858 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.334 3.373 -12.899 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.333 3.813 -9.028 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.997 2.638 -13.071 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.489 2.864 -11.137 1.00 0.00 H new ATOM 861 N HIS A 63 9.107 5.808 -10.297 1.00 0.00 N ATOM 862 CA HIS A 63 10.543 6.038 -10.406 1.00 0.00 C ATOM 863 C HIS A 63 11.289 4.725 -10.623 1.00 0.00 C ATOM 864 O HIS A 63 10.711 3.645 -10.510 1.00 0.00 O ATOM 865 CB HIS A 63 11.066 6.735 -9.150 1.00 0.00 C ATOM 866 CG HIS A 63 10.355 8.014 -8.833 1.00 0.00 C ATOM 867 ND1 HIS A 63 9.698 8.235 -7.641 1.00 0.00 N ATOM 868 CD2 HIS A 63 10.201 9.145 -9.561 1.00 0.00 C ATOM 869 CE1 HIS A 63 9.169 9.445 -7.650 1.00 0.00 C ATOM 870 NE2 HIS A 63 9.460 10.019 -8.804 1.00 0.00 N ATOM 0 H HIS A 63 8.828 5.266 -9.479 1.00 0.00 H new ATOM 0 HA HIS A 63 10.719 6.681 -11.268 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.971 6.057 -8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.129 6.942 -9.275 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.589 9.326 -10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.596 9.890 -6.850 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.180 10.958 -9.087 1.00 0.00 H new ATOM 878 N PHE A 64 12.577 4.827 -10.936 1.00 0.00 N ATOM 879 CA PHE A 64 13.402 3.648 -11.171 1.00 0.00 C ATOM 880 C PHE A 64 13.872 3.042 -9.852 1.00 0.00 C ATOM 881 O PHE A 64 13.912 1.822 -9.696 1.00 0.00 O ATOM 882 CB PHE A 64 14.609 4.008 -12.038 1.00 0.00 C ATOM 883 CG PHE A 64 14.260 4.853 -13.230 1.00 0.00 C ATOM 884 CD1 PHE A 64 12.949 4.950 -13.667 1.00 0.00 C ATOM 885 CD2 PHE A 64 15.244 5.549 -13.914 1.00 0.00 C ATOM 886 CE1 PHE A 64 12.625 5.727 -14.764 1.00 0.00 C ATOM 887 CE2 PHE A 64 14.925 6.327 -15.011 1.00 0.00 C ATOM 888 CZ PHE A 64 13.614 6.415 -15.437 1.00 0.00 C ATOM 0 H PHE A 64 13.071 5.714 -11.033 1.00 0.00 H new ATOM 0 HA PHE A 64 12.795 2.909 -11.695 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.339 4.539 -11.428 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.087 3.090 -12.381 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.171 4.413 -13.145 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.271 5.483 -13.586 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.599 5.795 -15.094 1.00 0.00 H new ATOM 0 HE2 PHE A 64 15.701 6.866 -15.535 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.363 7.021 -16.295 1.00 0.00 H new ATOM 898 N ALA A 65 14.226 3.904 -8.904 1.00 0.00 N ATOM 899 CA ALA A 65 14.692 3.455 -7.598 1.00 0.00 C ATOM 900 C ALA A 65 13.524 3.019 -6.719 1.00 0.00 C ATOM 901 O ALA A 65 13.677 2.838 -5.511 1.00 0.00 O ATOM 902 CB ALA A 65 15.487 4.557 -6.914 1.00 0.00 C ATOM 0 H ALA A 65 14.199 4.917 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 65 15.342 2.593 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.829 4.208 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.348 4.819 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.854 5.435 -6.783 1.00 0.00 H new ATOM 908 N CYS A 66 12.358 2.852 -7.333 1.00 0.00 N ATOM 909 CA CYS A 66 11.163 2.438 -6.607 1.00 0.00 C ATOM 910 C CYS A 66 10.657 1.091 -7.114 1.00 0.00 C ATOM 911 O CYS A 66 9.855 0.428 -6.456 1.00 0.00 O ATOM 912 CB CYS A 66 10.064 3.493 -6.747 1.00 0.00 C ATOM 913 SG CYS A 66 10.185 4.856 -5.544 1.00 0.00 S ATOM 0 H CYS A 66 12.215 2.997 -8.332 1.00 0.00 H new ATOM 0 HA CYS A 66 11.426 2.335 -5.554 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.099 3.908 -7.754 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.094 3.009 -6.635 1.00 0.00 H new ATOM 918 N VAL A 67 11.132 0.691 -8.290 1.00 0.00 N ATOM 919 CA VAL A 67 10.730 -0.577 -8.886 1.00 0.00 C ATOM 920 C VAL A 67 11.935 -1.333 -9.435 1.00 0.00 C ATOM 921 O VAL A 67 11.964 -2.563 -9.430 1.00 0.00 O ATOM 922 CB VAL A 67 9.710 -0.366 -10.020 1.00 0.00 C ATOM 923 CG1 VAL A 67 8.435 0.265 -9.482 1.00 0.00 C ATOM 924 CG2 VAL A 67 10.312 0.489 -11.125 1.00 0.00 C ATOM 0 H VAL A 67 11.796 1.228 -8.848 1.00 0.00 H new ATOM 0 HA VAL A 67 10.265 -1.165 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 67 9.455 -1.339 -10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.726 0.406 -10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.995 -0.389 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.668 1.230 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.578 0.628 -11.918 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.597 1.460 -10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.194 -0.008 -11.530 1.00 0.00 H new ATOM 934 N GLY A 68 12.929 -0.588 -9.909 1.00 0.00 N ATOM 935 CA GLY A 68 14.123 -1.204 -10.455 1.00 0.00 C ATOM 936 C GLY A 68 14.221 -1.047 -11.960 1.00 0.00 C ATOM 937 O GLY A 68 14.045 -2.011 -12.706 1.00 0.00 O ATOM 0 H GLY A 68 12.928 0.432 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.003 -0.760 -9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.129 -2.264 -10.202 1.00 0.00 H new ATOM 941 N LEU A 69 14.502 0.172 -12.408 1.00 0.00 N ATOM 942 CA LEU A 69 14.622 0.454 -13.834 1.00 0.00 C ATOM 943 C LEU A 69 15.852 1.310 -14.118 1.00 0.00 C ATOM 944 O LEU A 69 15.742 2.508 -14.379 1.00 0.00 O ATOM 945 CB LEU A 69 13.365 1.164 -14.341 1.00 0.00 C ATOM 946 CG LEU A 69 12.180 0.262 -14.691 1.00 0.00 C ATOM 947 CD1 LEU A 69 10.867 0.954 -14.358 1.00 0.00 C ATOM 948 CD2 LEU A 69 12.223 -0.127 -16.161 1.00 0.00 C ATOM 0 H LEU A 69 14.651 0.981 -11.804 1.00 0.00 H new ATOM 0 HA LEU A 69 14.733 -0.495 -14.359 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.042 1.876 -13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.630 1.742 -15.226 1.00 0.00 H new ATOM 0 HG LEU A 69 12.250 -0.647 -14.093 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.035 0.298 -14.613 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.836 1.182 -13.292 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.788 1.879 -14.929 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.373 -0.769 -16.393 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.178 0.771 -16.777 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.149 -0.663 -16.369 1.00 0.00 H new ATOM 960 N THR A 70 17.025 0.685 -14.069 1.00 0.00 N ATOM 961 CA THR A 70 18.276 1.388 -14.322 1.00 0.00 C ATOM 962 C THR A 70 18.060 2.579 -15.249 1.00 0.00 C ATOM 963 O THR A 70 18.591 3.666 -15.016 1.00 0.00 O ATOM 964 CB THR A 70 19.330 0.453 -14.944 1.00 0.00 C ATOM 965 OG1 THR A 70 19.555 -0.671 -14.086 1.00 0.00 O ATOM 966 CG2 THR A 70 20.640 1.191 -15.175 1.00 0.00 C ATOM 0 H THR A 70 17.134 -0.307 -13.856 1.00 0.00 H new ATOM 0 HA THR A 70 18.639 1.743 -13.358 1.00 0.00 H new ATOM 0 HB THR A 70 18.953 0.106 -15.906 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.225 -1.261 -14.489 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.369 0.510 -15.615 1.00 0.00 H new ATOM 0 HG22 THR A 70 20.471 2.029 -15.852 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.020 1.564 -14.224 1.00 0.00 H new ATOM 974 N THR A 71 17.276 2.369 -16.302 1.00 0.00 N ATOM 975 CA THR A 71 16.990 3.425 -17.265 1.00 0.00 C ATOM 976 C THR A 71 15.554 3.336 -17.768 1.00 0.00 C ATOM 977 O THR A 71 14.896 2.306 -17.620 1.00 0.00 O ATOM 978 CB THR A 71 17.948 3.362 -18.469 1.00 0.00 C ATOM 979 OG1 THR A 71 17.673 4.440 -19.371 1.00 0.00 O ATOM 980 CG2 THR A 71 17.812 2.036 -19.200 1.00 0.00 C ATOM 0 H THR A 71 16.828 1.477 -16.509 1.00 0.00 H new ATOM 0 HA THR A 71 17.132 4.373 -16.746 1.00 0.00 H new ATOM 0 HB THR A 71 18.969 3.451 -18.098 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.288 4.394 -20.133 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.498 2.015 -20.046 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.051 1.219 -18.519 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.789 1.922 -19.559 1.00 0.00 H new ATOM 988 N LYS A 72 15.072 4.422 -18.363 1.00 0.00 N ATOM 989 CA LYS A 72 13.713 4.467 -18.890 1.00 0.00 C ATOM 990 C LYS A 72 13.557 3.517 -20.074 1.00 0.00 C ATOM 991 O LYS A 72 14.229 3.647 -21.097 1.00 0.00 O ATOM 992 CB LYS A 72 13.357 5.893 -19.317 1.00 0.00 C ATOM 993 CG LYS A 72 11.890 6.074 -19.668 1.00 0.00 C ATOM 994 CD LYS A 72 11.589 7.503 -20.087 1.00 0.00 C ATOM 995 CE LYS A 72 10.101 7.715 -20.317 1.00 0.00 C ATOM 996 NZ LYS A 72 9.567 6.808 -21.370 1.00 0.00 N ATOM 0 H LYS A 72 15.603 5.283 -18.492 1.00 0.00 H new ATOM 0 HA LYS A 72 13.033 4.150 -18.100 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.617 6.580 -18.512 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.965 6.168 -20.179 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.622 5.393 -20.476 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.274 5.808 -18.809 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.941 8.190 -19.318 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.136 7.739 -21.000 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.562 7.546 -19.385 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.922 8.751 -20.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.581 7.063 -21.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.141 6.902 -22.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.606 5.825 -21.033 1.00 0.00 H new ATOM 1010 N PRO A 73 12.649 2.540 -19.933 1.00 0.00 N ATOM 1011 CA PRO A 73 12.382 1.551 -20.982 1.00 0.00 C ATOM 1012 C PRO A 73 11.682 2.162 -22.191 1.00 0.00 C ATOM 1013 O PRO A 73 11.782 1.646 -23.304 1.00 0.00 O ATOM 1014 CB PRO A 73 11.467 0.538 -20.289 1.00 0.00 C ATOM 1015 CG PRO A 73 10.805 1.309 -19.200 1.00 0.00 C ATOM 1016 CD PRO A 73 11.813 2.326 -18.741 1.00 0.00 C ATOM 0 HA PRO A 73 13.301 1.117 -21.376 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.735 0.126 -20.984 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.036 -0.302 -19.890 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.898 1.794 -19.561 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.511 0.653 -18.380 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.333 3.249 -18.416 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.400 1.958 -17.899 1.00 0.00 H new ATOM 1024 N ARG A 74 10.975 3.264 -21.965 1.00 0.00 N ATOM 1025 CA ARG A 74 10.258 3.945 -23.036 1.00 0.00 C ATOM 1026 C ARG A 74 9.761 2.947 -24.078 1.00 0.00 C ATOM 1027 O ARG A 74 9.826 3.204 -25.279 1.00 0.00 O ATOM 1028 CB ARG A 74 11.160 4.986 -23.701 1.00 0.00 C ATOM 1029 CG ARG A 74 10.419 5.922 -24.642 1.00 0.00 C ATOM 1030 CD ARG A 74 11.297 7.085 -25.077 1.00 0.00 C ATOM 1031 NE ARG A 74 10.532 8.119 -25.769 1.00 0.00 N ATOM 1032 CZ ARG A 74 11.078 9.020 -26.578 1.00 0.00 C ATOM 1033 NH1 ARG A 74 12.386 9.012 -26.797 1.00 0.00 N ATOM 1034 NH2 ARG A 74 10.316 9.929 -27.172 1.00 0.00 N ATOM 0 H ARG A 74 10.883 3.704 -21.050 1.00 0.00 H new ATOM 0 HA ARG A 74 9.395 4.448 -22.599 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.651 5.576 -22.927 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.945 4.473 -24.256 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.086 5.368 -25.520 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.526 6.304 -24.148 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.784 7.518 -24.203 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.086 6.718 -25.733 1.00 0.00 H new ATOM 0 HE ARG A 74 9.523 8.151 -25.623 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.975 8.313 -26.344 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.803 9.705 -27.419 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.309 9.937 -27.008 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.737 10.620 -27.793 1.00 0.00 H new ATOM 1048 N GLY A 75 9.266 1.806 -23.608 1.00 0.00 N ATOM 1049 CA GLY A 75 8.766 0.786 -24.511 1.00 0.00 C ATOM 1050 C GLY A 75 7.474 0.162 -24.023 1.00 0.00 C ATOM 1051 O GLY A 75 6.395 0.725 -24.206 1.00 0.00 O ATOM 0 H GLY A 75 9.202 1.570 -22.618 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.605 1.225 -25.496 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.520 0.008 -24.628 1.00 0.00 H new ATOM 1055 N LYS A 76 7.582 -1.007 -23.401 1.00 0.00 N ATOM 1056 CA LYS A 76 6.414 -1.711 -22.885 1.00 0.00 C ATOM 1057 C LYS A 76 6.619 -2.110 -21.427 1.00 0.00 C ATOM 1058 O LYS A 76 6.617 -3.294 -21.092 1.00 0.00 O ATOM 1059 CB LYS A 76 6.127 -2.954 -23.729 1.00 0.00 C ATOM 1060 CG LYS A 76 5.395 -2.654 -25.026 1.00 0.00 C ATOM 1061 CD LYS A 76 3.888 -2.667 -24.831 1.00 0.00 C ATOM 1062 CE LYS A 76 3.380 -4.065 -24.511 1.00 0.00 C ATOM 1063 NZ LYS A 76 1.921 -4.199 -24.778 1.00 0.00 N ATOM 0 H LYS A 76 8.468 -1.487 -23.242 1.00 0.00 H new ATOM 0 HA LYS A 76 5.560 -1.036 -22.942 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.069 -3.451 -23.960 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.533 -3.653 -23.140 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.706 -1.680 -25.403 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.672 -3.391 -25.780 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.619 -1.987 -24.023 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.400 -2.299 -25.733 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.927 -4.796 -25.107 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.580 -4.294 -23.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.613 -5.165 -24.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.397 -3.519 -24.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.733 -4.006 -25.782 1.00 0.00 H new ATOM 1077 N TRP A 77 6.794 -1.114 -20.565 1.00 0.00 N ATOM 1078 CA TRP A 77 6.999 -1.363 -19.143 1.00 0.00 C ATOM 1079 C TRP A 77 5.699 -1.187 -18.367 1.00 0.00 C ATOM 1080 O TRP A 77 5.106 -0.108 -18.366 1.00 0.00 O ATOM 1081 CB TRP A 77 8.069 -0.421 -18.589 1.00 0.00 C ATOM 1082 CG TRP A 77 8.451 -0.723 -17.172 1.00 0.00 C ATOM 1083 CD1 TRP A 77 9.514 -1.471 -16.751 1.00 0.00 C ATOM 1084 CD2 TRP A 77 7.772 -0.287 -15.989 1.00 0.00 C ATOM 1085 NE1 TRP A 77 9.536 -1.526 -15.378 1.00 0.00 N ATOM 1086 CE2 TRP A 77 8.479 -0.807 -14.887 1.00 0.00 C ATOM 1087 CE3 TRP A 77 6.637 0.494 -15.754 1.00 0.00 C ATOM 1088 CZ2 TRP A 77 8.085 -0.571 -13.572 1.00 0.00 C ATOM 1089 CZ3 TRP A 77 6.248 0.727 -14.449 1.00 0.00 C ATOM 1090 CH2 TRP A 77 6.971 0.197 -13.371 1.00 0.00 C ATOM 0 H TRP A 77 6.798 -0.128 -20.826 1.00 0.00 H new ATOM 0 HA TRP A 77 7.335 -2.393 -19.024 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.957 -0.482 -19.218 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.706 0.605 -18.649 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.232 -1.949 -17.402 1.00 0.00 H new ATOM 0 HE1 TRP A 77 10.228 -2.022 -14.816 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.074 0.908 -16.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.640 -0.980 -12.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.372 1.328 -14.256 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.642 0.399 -12.362 1.00 0.00 H new ATOM 1101 N PHE A 78 5.260 -2.253 -17.706 1.00 0.00 N ATOM 1102 CA PHE A 78 4.028 -2.216 -16.926 1.00 0.00 C ATOM 1103 C PHE A 78 4.330 -2.250 -15.431 1.00 0.00 C ATOM 1104 O PHE A 78 5.098 -3.090 -14.960 1.00 0.00 O ATOM 1105 CB PHE A 78 3.126 -3.393 -17.303 1.00 0.00 C ATOM 1106 CG PHE A 78 2.243 -3.117 -18.486 1.00 0.00 C ATOM 1107 CD1 PHE A 78 2.790 -2.905 -19.741 1.00 0.00 C ATOM 1108 CD2 PHE A 78 0.866 -3.069 -18.343 1.00 0.00 C ATOM 1109 CE1 PHE A 78 1.981 -2.651 -20.832 1.00 0.00 C ATOM 1110 CE2 PHE A 78 0.051 -2.816 -19.431 1.00 0.00 C ATOM 1111 CZ PHE A 78 0.609 -2.605 -20.676 1.00 0.00 C ATOM 0 H PHE A 78 5.739 -3.153 -17.695 1.00 0.00 H new ATOM 0 HA PHE A 78 3.511 -1.284 -17.153 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.748 -4.262 -17.519 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.503 -3.651 -16.447 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.862 -2.939 -19.868 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.424 -3.231 -17.371 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.420 -2.489 -21.805 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.021 -2.783 -19.307 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.026 -2.404 -21.526 1.00 0.00 H new ATOM 1121 N CYS A 79 3.721 -1.331 -14.690 1.00 0.00 N ATOM 1122 CA CYS A 79 3.924 -1.253 -13.248 1.00 0.00 C ATOM 1123 C CYS A 79 3.692 -2.611 -12.592 1.00 0.00 C ATOM 1124 O CYS A 79 2.959 -3.458 -13.103 1.00 0.00 O ATOM 1125 CB CYS A 79 2.986 -0.212 -12.635 1.00 0.00 C ATOM 1126 SG CYS A 79 1.269 -0.786 -12.432 1.00 0.00 S ATOM 0 H CYS A 79 3.082 -0.629 -15.064 1.00 0.00 H new ATOM 0 HA CYS A 79 4.956 -0.953 -13.068 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.376 0.084 -11.661 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.988 0.678 -13.264 1.00 0.00 H new ATOM 1131 N PRO A 80 4.331 -2.825 -11.432 1.00 0.00 N ATOM 1132 CA PRO A 80 4.210 -4.078 -10.681 1.00 0.00 C ATOM 1133 C PRO A 80 2.826 -4.252 -10.064 1.00 0.00 C ATOM 1134 O PRO A 80 2.576 -5.216 -9.341 1.00 0.00 O ATOM 1135 CB PRO A 80 5.270 -3.938 -9.585 1.00 0.00 C ATOM 1136 CG PRO A 80 5.441 -2.469 -9.408 1.00 0.00 C ATOM 1137 CD PRO A 80 5.221 -1.860 -10.765 1.00 0.00 C ATOM 0 HA PRO A 80 4.349 -4.951 -11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.947 -4.413 -8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.206 -4.413 -9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.726 -2.077 -8.684 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.437 -2.235 -9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.763 -0.874 -10.693 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.159 -1.737 -11.307 1.00 0.00 H new ATOM 1145 N ARG A 81 1.932 -3.313 -10.354 1.00 0.00 N ATOM 1146 CA ARG A 81 0.574 -3.363 -9.826 1.00 0.00 C ATOM 1147 C ARG A 81 -0.412 -3.809 -10.903 1.00 0.00 C ATOM 1148 O ARG A 81 -1.500 -4.298 -10.599 1.00 0.00 O ATOM 1149 CB ARG A 81 0.165 -1.993 -9.281 1.00 0.00 C ATOM 1150 CG ARG A 81 0.490 -1.801 -7.809 1.00 0.00 C ATOM 1151 CD ARG A 81 -0.500 -0.863 -7.137 1.00 0.00 C ATOM 1152 NE ARG A 81 -1.681 -1.571 -6.651 1.00 0.00 N ATOM 1153 CZ ARG A 81 -2.789 -0.960 -6.244 1.00 0.00 C ATOM 1154 NH1 ARG A 81 -2.866 0.363 -6.266 1.00 0.00 N ATOM 1155 NH2 ARG A 81 -3.822 -1.674 -5.816 1.00 0.00 N ATOM 0 H ARG A 81 2.123 -2.509 -10.951 1.00 0.00 H new ATOM 0 HA ARG A 81 0.553 -4.090 -9.014 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.667 -1.217 -9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.907 -1.858 -9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.478 -2.767 -7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.499 -1.401 -7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.012 -0.357 -6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.805 -0.091 -7.844 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.654 -2.590 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.074 0.915 -6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.717 0.830 -5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.766 -2.692 -5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.672 -1.205 -5.504 1.00 0.00 H new ATOM 1169 N CYS A 82 -0.023 -3.635 -12.161 1.00 0.00 N ATOM 1170 CA CYS A 82 -0.871 -4.018 -13.284 1.00 0.00 C ATOM 1171 C CYS A 82 -0.533 -5.426 -13.765 1.00 0.00 C ATOM 1172 O CYS A 82 -1.420 -6.256 -13.961 1.00 0.00 O ATOM 1173 CB CYS A 82 -0.712 -3.022 -14.434 1.00 0.00 C ATOM 1174 SG CYS A 82 -1.403 -1.372 -14.089 1.00 0.00 S ATOM 0 H CYS A 82 0.874 -3.231 -12.429 1.00 0.00 H new ATOM 0 HA CYS A 82 -1.907 -4.008 -12.945 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.348 -2.919 -14.667 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.196 -3.428 -15.322 1.00 0.00 H new ATOM 1179 N SER A 83 0.757 -5.687 -13.954 1.00 0.00 N ATOM 1180 CA SER A 83 1.213 -6.993 -14.416 1.00 0.00 C ATOM 1181 C SER A 83 0.588 -8.111 -13.586 1.00 0.00 C ATOM 1182 O SER A 83 0.185 -9.143 -14.121 1.00 0.00 O ATOM 1183 CB SER A 83 2.738 -7.079 -14.342 1.00 0.00 C ATOM 1184 OG SER A 83 3.230 -8.124 -15.164 1.00 0.00 O ATOM 0 H SER A 83 1.504 -5.012 -13.794 1.00 0.00 H new ATOM 0 HA SER A 83 0.899 -7.115 -15.453 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.175 -6.130 -14.654 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.046 -7.248 -13.310 1.00 0.00 H new ATOM 0 HG SER A 83 4.207 -8.157 -15.101 1.00 0.00 H new ATOM 1190 N GLN A 84 0.514 -7.897 -12.277 1.00 0.00 N ATOM 1191 CA GLN A 84 -0.061 -8.886 -11.373 1.00 0.00 C ATOM 1192 C GLN A 84 -1.306 -9.522 -11.982 1.00 0.00 C ATOM 1193 O GLN A 84 -1.492 -10.736 -11.912 1.00 0.00 O ATOM 1194 CB GLN A 84 -0.407 -8.241 -10.030 1.00 0.00 C ATOM 1195 CG GLN A 84 -1.132 -9.176 -9.075 1.00 0.00 C ATOM 1196 CD GLN A 84 -0.186 -10.096 -8.329 1.00 0.00 C ATOM 1197 OE1 GLN A 84 0.531 -9.667 -7.424 1.00 0.00 O ATOM 1198 NE2 GLN A 84 -0.179 -11.369 -8.705 1.00 0.00 N ATOM 0 H GLN A 84 0.845 -7.048 -11.819 1.00 0.00 H new ATOM 0 HA GLN A 84 0.681 -9.668 -11.211 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.511 -7.892 -9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.028 -7.363 -10.207 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.701 -8.586 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.850 -9.776 -9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.790 -11.681 -9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.437 -12.035 -8.239 1.00 0.00 H new ATOM 1207 N GLU A 85 -2.157 -8.692 -12.578 1.00 0.00 N ATOM 1208 CA GLU A 85 -3.385 -9.174 -13.198 1.00 0.00 C ATOM 1209 C GLU A 85 -3.132 -10.460 -13.980 1.00 0.00 C ATOM 1210 O GLU A 85 -3.907 -11.413 -13.897 1.00 0.00 O ATOM 1211 CB GLU A 85 -3.968 -8.106 -14.126 1.00 0.00 C ATOM 1212 CG GLU A 85 -5.481 -8.168 -14.251 1.00 0.00 C ATOM 1213 CD GLU A 85 -5.938 -9.118 -15.341 1.00 0.00 C ATOM 1214 OE1 GLU A 85 -5.526 -10.297 -15.310 1.00 0.00 O ATOM 1215 OE2 GLU A 85 -6.706 -8.684 -16.224 1.00 0.00 O ATOM 0 H GLU A 85 -2.018 -7.684 -12.644 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.102 -9.387 -12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.682 -7.121 -13.757 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.525 -8.216 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.908 -8.482 -13.298 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.866 -7.170 -14.459 1.00 0.00 H new ATOM 1222 N SER A 86 -2.042 -10.478 -14.741 1.00 0.00 N ATOM 1223 CA SER A 86 -1.688 -11.643 -15.542 1.00 0.00 C ATOM 1224 C SER A 86 -1.282 -12.812 -14.650 1.00 0.00 C ATOM 1225 O SER A 86 -0.868 -12.622 -13.507 1.00 0.00 O ATOM 1226 CB SER A 86 -0.548 -11.301 -16.504 1.00 0.00 C ATOM 1227 OG SER A 86 -0.042 -12.466 -17.131 1.00 0.00 O ATOM 0 H SER A 86 -1.389 -9.698 -14.819 1.00 0.00 H new ATOM 0 HA SER A 86 -2.565 -11.936 -16.119 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.904 -10.603 -17.261 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.253 -10.800 -15.960 1.00 0.00 H new ATOM 0 HG SER A 86 0.684 -12.220 -17.742 1.00 0.00 H new ATOM 1233 N GLY A 87 -1.403 -14.025 -15.182 1.00 0.00 N ATOM 1234 CA GLY A 87 -1.046 -15.208 -14.422 1.00 0.00 C ATOM 1235 C GLY A 87 0.451 -15.447 -14.391 1.00 0.00 C ATOM 1236 O GLY A 87 1.103 -15.568 -15.428 1.00 0.00 O ATOM 0 H GLY A 87 -1.742 -14.209 -16.126 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.416 -15.106 -13.402 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.541 -16.077 -14.855 1.00 0.00 H new ATOM 1240 N PRO A 88 1.018 -15.516 -13.177 1.00 0.00 N ATOM 1241 CA PRO A 88 2.454 -15.741 -12.987 1.00 0.00 C ATOM 1242 C PRO A 88 2.876 -17.155 -13.372 1.00 0.00 C ATOM 1243 O PRO A 88 2.035 -18.007 -13.658 1.00 0.00 O ATOM 1244 CB PRO A 88 2.652 -15.515 -11.486 1.00 0.00 C ATOM 1245 CG PRO A 88 1.323 -15.806 -10.880 1.00 0.00 C ATOM 1246 CD PRO A 88 0.301 -15.381 -11.898 1.00 0.00 C ATOM 0 HA PRO A 88 3.056 -15.084 -13.615 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.423 -16.173 -11.085 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.967 -14.492 -11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.224 -16.866 -10.647 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.193 -15.261 -9.945 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.586 -16.014 -11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.032 -14.357 -11.730 1.00 0.00 H new ATOM 1254 N SER A 89 4.183 -17.397 -13.378 1.00 0.00 N ATOM 1255 CA SER A 89 4.716 -18.707 -13.731 1.00 0.00 C ATOM 1256 C SER A 89 4.515 -19.701 -12.591 1.00 0.00 C ATOM 1257 O SER A 89 4.042 -19.340 -11.514 1.00 0.00 O ATOM 1258 CB SER A 89 6.203 -18.601 -14.075 1.00 0.00 C ATOM 1259 OG SER A 89 6.406 -17.782 -15.213 1.00 0.00 O ATOM 0 H SER A 89 4.892 -16.703 -13.142 1.00 0.00 H new ATOM 0 HA SER A 89 4.174 -19.069 -14.605 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.748 -18.190 -13.225 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.608 -19.596 -14.262 1.00 0.00 H new ATOM 0 HG SER A 89 7.364 -17.729 -15.411 1.00 0.00 H new ATOM 1265 N SER A 90 4.880 -20.956 -12.838 1.00 0.00 N ATOM 1266 CA SER A 90 4.737 -22.004 -11.834 1.00 0.00 C ATOM 1267 C SER A 90 5.962 -22.914 -11.821 1.00 0.00 C ATOM 1268 O SER A 90 6.594 -23.137 -12.852 1.00 0.00 O ATOM 1269 CB SER A 90 3.478 -22.829 -12.104 1.00 0.00 C ATOM 1270 OG SER A 90 3.636 -23.639 -13.256 1.00 0.00 O ATOM 0 H SER A 90 5.276 -21.271 -13.724 1.00 0.00 H new ATOM 0 HA SER A 90 4.649 -21.528 -10.857 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.259 -23.458 -11.241 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.625 -22.164 -12.238 1.00 0.00 H new ATOM 0 HG SER A 90 2.818 -24.158 -13.406 1.00 0.00 H new ATOM 1276 N GLY A 91 6.291 -23.436 -10.643 1.00 0.00 N ATOM 1277 CA GLY A 91 7.438 -24.315 -10.516 1.00 0.00 C ATOM 1278 C GLY A 91 8.398 -23.863 -9.433 1.00 0.00 C ATOM 1279 O GLY A 91 7.958 -23.596 -8.316 1.00 0.00 O ATOM 0 H GLY A 91 5.783 -23.266 -9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.095 -25.325 -10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.965 -24.359 -11.469 1.00 0.00 H new TER 1283 GLY A 91 HETATM 1284 ZN ZN A 201 8.918 6.738 -6.036 1.00 0.00 ZN HETATM 1285 ZN ZN A 401 0.160 0.360 -14.156 1.00 0.00 ZN