USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 Set 1.1: A 1 SER OG : rot 144:sc= -1.98 USER MOD Set 1.2: A 90 MET CE :methyl -151:sc= -1.33 (180deg=-3.38!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -8.87! C(o=-11!,f=-18!) USER MOD Set 2.2: A 51 TYR OH : rot -41:sc= -2.52! USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= -0.537 USER MOD Set 3.2: A 85 CYS SG : rot -158:sc= -0.029 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= -1.03! USER MOD Set 4.2: A 30 ASN : amide:sc= -6.31! C(o=-7.3!,f=-2.5!) USER MOD Single : A 1 SER N :NH3+ -167:sc= 1.25 (180deg=0.867) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= -0.025 (180deg=-0.279) USER MOD Single : A 5 TYR OH : rot -69:sc= -1.09 USER MOD Single : A 7 SER OG : rot 133:sc= -0.501 USER MOD Single : A 8 HIS : no HD1:sc= -2.96! C(o=-3!,f=-6.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 24 MET CE :methyl -144:sc= 0 (180deg=-0.412) USER MOD Single : A 25 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.76) USER MOD Single : A 42 SER OG : rot -57:sc= 1.16 USER MOD Single : A 44 SER OG : rot -50:sc= 0.302 USER MOD Single : A 47 THR OG1 : rot 80:sc= -0.715 USER MOD Single : A 53 ASN : amide:sc= -2.26! C(o=-2.3!,f=-9.6!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.531 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.36! X(o=-2.4!,f=-2.8) USER MOD Single : A 70 MET CE :methyl -134:sc= -1.96 (180deg=-6.66!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 86:sc= 0.0763 USER MOD Single : A 79 LYS NZ :NH3+ 149:sc= -0.244 (180deg=-1.23!) USER MOD Single : A 81 ASN : amide:sc= -3.77! C(o=-3.8!,f=-7.8!) USER MOD Single : A 82 SER OG : rot -52:sc= -0.0554 USER MOD Single : A 87 GLN : amide:sc= -4.63! K(o=-4.6!,f=-3.2) USER MOD Single : A 91 THR OG1 : rot -160:sc= -0.791 USER MOD Single : A 105 GLN : amide:sc= -4.24! C(o=-4.2!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.113 -6.794 2.545 1.00 0.00 N ATOM 2 CA SER A 1 11.257 -7.800 1.860 1.00 0.00 C ATOM 3 C SER A 1 11.054 -7.367 0.401 1.00 0.00 C ATOM 4 O SER A 1 11.318 -6.241 0.041 1.00 0.00 O ATOM 5 CB SER A 1 9.899 -7.887 2.575 1.00 0.00 C ATOM 6 OG SER A 1 8.870 -7.361 1.743 1.00 0.00 O ATOM 0 H1 SER A 1 12.439 -7.177 3.455 1.00 0.00 H new ATOM 0 H2 SER A 1 12.935 -6.574 1.948 1.00 0.00 H new ATOM 0 H3 SER A 1 11.564 -5.927 2.711 1.00 0.00 H new ATOM 0 HA SER A 1 11.735 -8.779 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.678 -8.924 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.937 -7.333 3.513 1.00 0.00 H new ATOM 0 HG SER A 1 8.049 -7.881 1.870 1.00 0.00 H new ATOM 14 N LYS A 2 10.578 -8.247 -0.425 1.00 0.00 N ATOM 15 CA LYS A 2 10.356 -7.871 -1.847 1.00 0.00 C ATOM 16 C LYS A 2 9.014 -7.159 -1.953 1.00 0.00 C ATOM 17 O LYS A 2 7.973 -7.757 -1.792 1.00 0.00 O ATOM 18 CB LYS A 2 10.338 -9.149 -2.699 1.00 0.00 C ATOM 19 CG LYS A 2 11.757 -9.475 -3.216 1.00 0.00 C ATOM 20 CD LYS A 2 12.037 -8.730 -4.530 1.00 0.00 C ATOM 21 CE LYS A 2 11.511 -9.543 -5.717 1.00 0.00 C ATOM 22 NZ LYS A 2 12.403 -10.711 -5.954 1.00 0.00 N ATOM 0 H LYS A 2 10.333 -9.207 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 2 11.149 -7.213 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.960 -9.982 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.658 -9.022 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.497 -9.193 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.855 -10.549 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.560 -7.750 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.108 -8.561 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.495 -9.883 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.468 -8.918 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.291 -11.040 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.392 -10.431 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.150 -11.479 -5.300 1.00 0.00 H new ATOM 36 N VAL A 3 9.027 -5.884 -2.222 1.00 0.00 N ATOM 37 CA VAL A 3 7.746 -5.116 -2.329 1.00 0.00 C ATOM 38 C VAL A 3 7.477 -4.746 -3.787 1.00 0.00 C ATOM 39 O VAL A 3 8.136 -3.902 -4.349 1.00 0.00 O ATOM 40 CB VAL A 3 7.872 -3.850 -1.483 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.692 -2.911 -1.743 1.00 0.00 C ATOM 42 CG2 VAL A 3 7.898 -4.246 0.002 1.00 0.00 C ATOM 0 H VAL A 3 9.872 -5.334 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 3 6.915 -5.724 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 3 8.792 -3.330 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.799 -2.015 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.674 -2.632 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.761 -3.417 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.988 -3.350 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.976 -4.769 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.749 -4.901 0.189 1.00 0.00 H new ATOM 52 N VAL A 4 6.507 -5.370 -4.399 1.00 0.00 N ATOM 53 CA VAL A 4 6.195 -5.060 -5.817 1.00 0.00 C ATOM 54 C VAL A 4 5.004 -4.098 -5.901 1.00 0.00 C ATOM 55 O VAL A 4 3.941 -4.351 -5.389 1.00 0.00 O ATOM 56 CB VAL A 4 5.876 -6.360 -6.551 1.00 0.00 C ATOM 57 CG1 VAL A 4 5.549 -6.073 -8.018 1.00 0.00 C ATOM 58 CG2 VAL A 4 7.088 -7.292 -6.470 1.00 0.00 C ATOM 0 H VAL A 4 5.916 -6.084 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 4 7.056 -4.580 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 4 5.012 -6.833 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.323 -7.008 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.685 -5.410 -8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.405 -5.596 -8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.867 -8.223 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.949 -6.811 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.313 -7.507 -5.425 1.00 0.00 H new ATOM 68 N TYR A 5 5.197 -3.012 -6.594 1.00 0.00 N ATOM 69 CA TYR A 5 4.117 -2.009 -6.800 1.00 0.00 C ATOM 70 C TYR A 5 3.586 -2.178 -8.213 1.00 0.00 C ATOM 71 O TYR A 5 4.279 -1.917 -9.179 1.00 0.00 O ATOM 72 CB TYR A 5 4.668 -0.592 -6.633 1.00 0.00 C ATOM 73 CG TYR A 5 5.178 -0.388 -5.226 1.00 0.00 C ATOM 74 CD1 TYR A 5 4.269 -0.229 -4.175 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.554 -0.338 -4.974 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.735 -0.023 -2.869 1.00 0.00 C ATOM 77 CE2 TYR A 5 7.018 -0.128 -3.676 1.00 0.00 C ATOM 78 CZ TYR A 5 6.110 0.029 -2.618 1.00 0.00 C ATOM 79 OH TYR A 5 6.568 0.235 -1.332 1.00 0.00 O ATOM 0 H TYR A 5 6.083 -2.772 -7.038 1.00 0.00 H new ATOM 0 HA TYR A 5 3.325 -2.161 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.474 -0.422 -7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.888 0.137 -6.853 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.207 -0.265 -4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.256 -0.462 -5.785 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.033 0.095 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.080 -0.086 -3.484 1.00 0.00 H new ATOM 0 HH TYR A 5 6.363 1.152 -1.055 1.00 0.00 H new ATOM 89 N VAL A 6 2.363 -2.611 -8.354 1.00 0.00 N ATOM 90 CA VAL A 6 1.783 -2.800 -9.720 1.00 0.00 C ATOM 91 C VAL A 6 0.912 -1.595 -10.045 1.00 0.00 C ATOM 92 O VAL A 6 -0.032 -1.289 -9.360 1.00 0.00 O ATOM 93 CB VAL A 6 0.945 -4.078 -9.739 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.347 -4.273 -11.129 1.00 0.00 C ATOM 95 CG2 VAL A 6 1.839 -5.274 -9.389 1.00 0.00 C ATOM 0 H VAL A 6 1.737 -2.843 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 6 2.576 -2.889 -10.463 1.00 0.00 H new ATOM 0 HB VAL A 6 0.140 -4.000 -9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.251 -5.184 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.285 -3.420 -11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.149 -4.354 -11.862 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.245 -6.188 -9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.643 -5.354 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.265 -5.131 -8.396 1.00 0.00 H new ATOM 105 N SER A 7 1.233 -0.903 -11.101 1.00 0.00 N ATOM 106 CA SER A 7 0.433 0.293 -11.487 1.00 0.00 C ATOM 107 C SER A 7 -0.801 -0.155 -12.268 1.00 0.00 C ATOM 108 O SER A 7 -1.287 -1.255 -12.093 1.00 0.00 O ATOM 109 CB SER A 7 1.283 1.225 -12.356 1.00 0.00 C ATOM 110 OG SER A 7 1.123 0.869 -13.718 1.00 0.00 O ATOM 0 H SER A 7 2.018 -1.115 -11.717 1.00 0.00 H new ATOM 0 HA SER A 7 0.122 0.827 -10.589 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.982 2.261 -12.201 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.332 1.152 -12.070 1.00 0.00 H new ATOM 0 HG SER A 7 0.955 1.675 -14.249 1.00 0.00 H new ATOM 116 N HIS A 8 -1.315 0.688 -13.118 1.00 0.00 N ATOM 117 CA HIS A 8 -2.523 0.307 -13.909 1.00 0.00 C ATOM 118 C HIS A 8 -2.084 -0.330 -15.235 1.00 0.00 C ATOM 119 O HIS A 8 -2.635 -1.323 -15.666 1.00 0.00 O ATOM 120 CB HIS A 8 -3.392 1.558 -14.191 1.00 0.00 C ATOM 121 CG HIS A 8 -2.553 2.804 -14.102 1.00 0.00 C ATOM 122 ND1 HIS A 8 -1.839 3.130 -12.964 1.00 0.00 N ATOM 123 CD2 HIS A 8 -2.323 3.821 -14.993 1.00 0.00 C ATOM 124 CE1 HIS A 8 -1.221 4.304 -13.191 1.00 0.00 C ATOM 125 NE2 HIS A 8 -1.483 4.764 -14.413 1.00 0.00 N ATOM 0 H HIS A 8 -0.953 1.624 -13.301 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.114 -0.410 -13.338 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.840 1.483 -15.182 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.211 1.610 -13.474 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.732 3.880 -15.991 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.592 4.809 -12.473 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.139 5.627 -14.835 1.00 0.00 H new ATOM 134 N ASP A 9 -1.121 0.248 -15.895 1.00 0.00 N ATOM 135 CA ASP A 9 -0.679 -0.306 -17.202 1.00 0.00 C ATOM 136 C ASP A 9 -0.015 -1.682 -17.030 1.00 0.00 C ATOM 137 O ASP A 9 0.383 -2.299 -17.998 1.00 0.00 O ATOM 138 CB ASP A 9 0.308 0.676 -17.855 1.00 0.00 C ATOM 139 CG ASP A 9 1.148 1.351 -16.767 1.00 0.00 C ATOM 140 OD1 ASP A 9 0.572 2.060 -15.954 1.00 0.00 O ATOM 141 OD2 ASP A 9 2.349 1.147 -16.764 1.00 0.00 O ATOM 0 H ASP A 9 -0.621 1.081 -15.585 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.553 -0.437 -17.840 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.956 0.147 -18.554 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.235 1.427 -18.429 1.00 0.00 H new ATOM 146 N GLY A 10 0.103 -2.185 -15.831 1.00 0.00 N ATOM 147 CA GLY A 10 0.733 -3.532 -15.647 1.00 0.00 C ATOM 148 C GLY A 10 2.240 -3.393 -15.385 1.00 0.00 C ATOM 149 O GLY A 10 2.934 -4.376 -15.220 1.00 0.00 O ATOM 0 H GLY A 10 -0.206 -1.728 -14.973 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.260 -4.050 -14.813 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.568 -4.141 -16.536 1.00 0.00 H new ATOM 153 N THR A 11 2.755 -2.193 -15.346 1.00 0.00 N ATOM 154 CA THR A 11 4.212 -2.031 -15.087 1.00 0.00 C ATOM 155 C THR A 11 4.477 -2.351 -13.614 1.00 0.00 C ATOM 156 O THR A 11 3.745 -1.937 -12.739 1.00 0.00 O ATOM 157 CB THR A 11 4.666 -0.598 -15.415 1.00 0.00 C ATOM 158 OG1 THR A 11 6.072 -0.589 -15.622 1.00 0.00 O ATOM 159 CG2 THR A 11 4.324 0.346 -14.258 1.00 0.00 C ATOM 0 H THR A 11 2.234 -1.326 -15.481 1.00 0.00 H new ATOM 0 HA THR A 11 4.778 -2.711 -15.724 1.00 0.00 H new ATOM 0 HB THR A 11 4.151 -0.260 -16.314 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.366 0.322 -15.833 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.651 1.356 -14.504 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.247 0.343 -14.093 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.831 0.011 -13.353 1.00 0.00 H new ATOM 167 N ARG A 12 5.507 -3.099 -13.352 1.00 0.00 N ATOM 168 CA ARG A 12 5.831 -3.485 -11.943 1.00 0.00 C ATOM 169 C ARG A 12 7.057 -2.736 -11.439 1.00 0.00 C ATOM 170 O ARG A 12 7.827 -2.176 -12.191 1.00 0.00 O ATOM 171 CB ARG A 12 6.112 -4.992 -11.878 1.00 0.00 C ATOM 172 CG ARG A 12 5.027 -5.780 -12.679 1.00 0.00 C ATOM 173 CD ARG A 12 4.419 -6.943 -11.851 1.00 0.00 C ATOM 174 NE ARG A 12 4.500 -8.200 -12.653 1.00 0.00 N ATOM 175 CZ ARG A 12 5.516 -9.023 -12.516 1.00 0.00 C ATOM 176 NH1 ARG A 12 6.477 -8.754 -11.662 1.00 0.00 N ATOM 177 NH2 ARG A 12 5.570 -10.118 -13.217 1.00 0.00 N ATOM 0 H ARG A 12 6.148 -3.466 -14.056 1.00 0.00 H new ATOM 0 HA ARG A 12 4.978 -3.228 -11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.100 -5.203 -12.287 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.119 -5.323 -10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.233 -5.097 -12.981 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.469 -6.178 -13.592 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.959 -7.060 -10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.382 -6.724 -11.597 1.00 0.00 H new ATOM 0 HE ARG A 12 3.757 -8.423 -13.316 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.437 -7.903 -11.101 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.263 -9.396 -11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.823 -10.340 -13.875 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.360 -10.755 -13.109 1.00 0.00 H new ATOM 191 N ARG A 13 7.232 -2.744 -10.151 1.00 0.00 N ATOM 192 CA ARG A 13 8.394 -2.068 -9.522 1.00 0.00 C ATOM 193 C ARG A 13 8.715 -2.817 -8.239 1.00 0.00 C ATOM 194 O ARG A 13 7.935 -2.817 -7.309 1.00 0.00 O ATOM 195 CB ARG A 13 8.028 -0.623 -9.190 1.00 0.00 C ATOM 196 CG ARG A 13 9.279 0.279 -9.241 1.00 0.00 C ATOM 197 CD ARG A 13 9.112 1.484 -8.294 1.00 0.00 C ATOM 198 NE ARG A 13 9.661 2.704 -8.952 1.00 0.00 N ATOM 199 CZ ARG A 13 8.886 3.487 -9.660 1.00 0.00 C ATOM 200 NH1 ARG A 13 7.633 3.166 -9.873 1.00 0.00 N ATOM 201 NH2 ARG A 13 9.370 4.592 -10.150 1.00 0.00 N ATOM 0 H ARG A 13 6.602 -3.202 -9.492 1.00 0.00 H new ATOM 0 HA ARG A 13 9.251 -2.066 -10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.282 -0.260 -9.897 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.578 -0.575 -8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.161 -0.295 -8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.441 0.629 -10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.059 1.629 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.632 1.298 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 13 10.650 2.931 -8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.255 2.301 -9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.036 3.781 -10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.345 4.841 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.775 5.209 -10.703 1.00 0.00 H new ATOM 215 N GLU A 14 9.831 -3.466 -8.182 1.00 0.00 N ATOM 216 CA GLU A 14 10.192 -4.254 -6.968 1.00 0.00 C ATOM 217 C GLU A 14 11.169 -3.487 -6.086 1.00 0.00 C ATOM 218 O GLU A 14 12.182 -2.980 -6.521 1.00 0.00 O ATOM 219 CB GLU A 14 10.816 -5.580 -7.405 1.00 0.00 C ATOM 220 CG GLU A 14 10.120 -6.069 -8.687 1.00 0.00 C ATOM 221 CD GLU A 14 10.407 -7.557 -8.893 1.00 0.00 C ATOM 222 OE1 GLU A 14 11.547 -7.885 -9.182 1.00 0.00 O ATOM 223 OE2 GLU A 14 9.482 -8.342 -8.771 1.00 0.00 O ATOM 0 H GLU A 14 10.524 -3.490 -8.930 1.00 0.00 H new ATOM 0 HA GLU A 14 9.289 -4.438 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.884 -5.452 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.711 -6.323 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.045 -5.902 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.474 -5.498 -9.545 1.00 0.00 H new ATOM 230 N LEU A 15 10.820 -3.376 -4.842 1.00 0.00 N ATOM 231 CA LEU A 15 11.630 -2.624 -3.853 1.00 0.00 C ATOM 232 C LEU A 15 12.182 -3.568 -2.796 1.00 0.00 C ATOM 233 O LEU A 15 11.989 -4.767 -2.819 1.00 0.00 O ATOM 234 CB LEU A 15 10.661 -1.639 -3.164 1.00 0.00 C ATOM 235 CG LEU A 15 11.084 -0.180 -3.316 1.00 0.00 C ATOM 236 CD1 LEU A 15 12.293 0.130 -2.421 1.00 0.00 C ATOM 237 CD2 LEU A 15 11.391 0.175 -4.785 1.00 0.00 C ATOM 0 H LEU A 15 9.973 -3.792 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 15 12.464 -2.120 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.663 -1.767 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.596 -1.884 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 15 10.246 0.439 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.579 1.175 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.031 -0.054 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.129 -0.510 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.688 1.222 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.201 -0.456 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.501 0.011 -5.393 1.00 0.00 H new ATOM 249 N ASP A 16 12.821 -2.982 -1.828 1.00 0.00 N ATOM 250 CA ASP A 16 13.365 -3.737 -0.673 1.00 0.00 C ATOM 251 C ASP A 16 12.970 -2.940 0.564 1.00 0.00 C ATOM 252 O ASP A 16 13.590 -1.950 0.900 1.00 0.00 O ATOM 253 CB ASP A 16 14.889 -3.831 -0.784 1.00 0.00 C ATOM 254 CG ASP A 16 15.436 -4.641 0.390 1.00 0.00 C ATOM 255 OD1 ASP A 16 15.533 -5.850 0.257 1.00 0.00 O ATOM 256 OD2 ASP A 16 15.749 -4.037 1.401 1.00 0.00 O ATOM 0 H ASP A 16 12.994 -1.977 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 16 12.978 -4.755 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 16 15.167 -4.303 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.326 -2.833 -0.786 1.00 0.00 H new ATOM 261 N VAL A 17 11.941 -3.360 1.247 1.00 0.00 N ATOM 262 CA VAL A 17 11.472 -2.645 2.479 1.00 0.00 C ATOM 263 C VAL A 17 11.756 -3.543 3.686 1.00 0.00 C ATOM 264 O VAL A 17 11.239 -4.637 3.802 1.00 0.00 O ATOM 265 CB VAL A 17 9.964 -2.378 2.295 1.00 0.00 C ATOM 266 CG1 VAL A 17 9.440 -1.376 3.327 1.00 0.00 C ATOM 267 CG2 VAL A 17 9.772 -1.805 0.883 1.00 0.00 C ATOM 0 H VAL A 17 11.392 -4.184 1.002 1.00 0.00 H new ATOM 0 HA VAL A 17 11.983 -1.696 2.641 1.00 0.00 H new ATOM 0 HB VAL A 17 9.410 -3.306 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.374 -1.212 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.600 -1.770 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.972 -0.431 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.715 -1.602 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.339 -0.879 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.126 -2.526 0.146 1.00 0.00 H new ATOM 277 N ALA A 18 12.615 -3.094 4.561 1.00 0.00 N ATOM 278 CA ALA A 18 12.994 -3.917 5.751 1.00 0.00 C ATOM 279 C ALA A 18 11.840 -4.026 6.747 1.00 0.00 C ATOM 280 O ALA A 18 10.781 -3.458 6.567 1.00 0.00 O ATOM 281 CB ALA A 18 14.195 -3.275 6.447 1.00 0.00 C ATOM 0 H ALA A 18 13.075 -2.185 4.504 1.00 0.00 H new ATOM 0 HA ALA A 18 13.243 -4.920 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.474 -3.872 7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.035 -3.228 5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.933 -2.267 6.769 1.00 0.00 H new ATOM 287 N ASP A 19 12.053 -4.773 7.793 1.00 0.00 N ATOM 288 CA ASP A 19 11.007 -4.963 8.827 1.00 0.00 C ATOM 289 C ASP A 19 10.728 -3.649 9.545 1.00 0.00 C ATOM 290 O ASP A 19 11.623 -2.903 9.896 1.00 0.00 O ATOM 291 CB ASP A 19 11.487 -6.010 9.831 1.00 0.00 C ATOM 292 CG ASP A 19 12.941 -5.728 10.212 1.00 0.00 C ATOM 293 OD1 ASP A 19 13.808 -5.998 9.394 1.00 0.00 O ATOM 294 OD2 ASP A 19 13.162 -5.245 11.305 1.00 0.00 O ATOM 0 H ASP A 19 12.926 -5.268 7.975 1.00 0.00 H new ATOM 0 HA ASP A 19 10.086 -5.300 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.857 -5.991 10.721 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.400 -7.008 9.401 1.00 0.00 H new ATOM 299 N GLY A 20 9.482 -3.385 9.792 1.00 0.00 N ATOM 300 CA GLY A 20 9.097 -2.136 10.511 1.00 0.00 C ATOM 301 C GLY A 20 8.941 -0.970 9.529 1.00 0.00 C ATOM 302 O GLY A 20 8.351 0.040 9.862 1.00 0.00 O ATOM 0 H GLY A 20 8.701 -3.985 9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.161 -2.293 11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.854 -1.891 11.256 1.00 0.00 H new ATOM 306 N VAL A 21 9.478 -1.068 8.343 1.00 0.00 N ATOM 307 CA VAL A 21 9.362 0.067 7.388 1.00 0.00 C ATOM 308 C VAL A 21 8.022 -0.018 6.663 1.00 0.00 C ATOM 309 O VAL A 21 7.574 -1.083 6.300 1.00 0.00 O ATOM 310 CB VAL A 21 10.490 -0.023 6.350 1.00 0.00 C ATOM 311 CG1 VAL A 21 10.422 1.164 5.395 1.00 0.00 C ATOM 312 CG2 VAL A 21 11.854 -0.042 7.039 1.00 0.00 C ATOM 0 H VAL A 21 9.989 -1.880 7.997 1.00 0.00 H new ATOM 0 HA VAL A 21 9.432 1.008 7.934 1.00 0.00 H new ATOM 0 HB VAL A 21 10.363 -0.948 5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.227 1.089 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.462 1.162 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.529 2.091 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.641 -0.106 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.981 0.871 7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.915 -0.905 7.702 1.00 0.00 H new ATOM 322 N SER A 22 7.382 1.097 6.439 1.00 0.00 N ATOM 323 CA SER A 22 6.072 1.072 5.723 1.00 0.00 C ATOM 324 C SER A 22 6.313 1.294 4.229 1.00 0.00 C ATOM 325 O SER A 22 7.226 1.988 3.833 1.00 0.00 O ATOM 326 CB SER A 22 5.170 2.180 6.268 1.00 0.00 C ATOM 327 OG SER A 22 5.610 3.433 5.759 1.00 0.00 O ATOM 0 H SER A 22 7.707 2.022 6.719 1.00 0.00 H new ATOM 0 HA SER A 22 5.588 0.108 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.135 1.999 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.199 2.186 7.358 1.00 0.00 H new ATOM 0 HG SER A 22 5.034 4.147 6.104 1.00 0.00 H new ATOM 333 N LEU A 23 5.505 0.706 3.398 1.00 0.00 N ATOM 334 CA LEU A 23 5.698 0.882 1.935 1.00 0.00 C ATOM 335 C LEU A 23 5.828 2.373 1.613 1.00 0.00 C ATOM 336 O LEU A 23 6.523 2.766 0.703 1.00 0.00 O ATOM 337 CB LEU A 23 4.491 0.310 1.185 1.00 0.00 C ATOM 338 CG LEU A 23 4.114 -1.079 1.737 1.00 0.00 C ATOM 339 CD1 LEU A 23 3.215 -1.795 0.731 1.00 0.00 C ATOM 340 CD2 LEU A 23 5.371 -1.931 1.977 1.00 0.00 C ATOM 0 H LEU A 23 4.720 0.112 3.667 1.00 0.00 H new ATOM 0 HA LEU A 23 6.603 0.358 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.643 0.987 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.720 0.234 0.122 1.00 0.00 H new ATOM 0 HG LEU A 23 3.592 -0.945 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.946 -2.778 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.310 -1.209 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.746 -1.910 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.080 -2.907 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.908 -2.061 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.018 -1.431 2.698 1.00 0.00 H new ATOM 352 N MET A 24 5.162 3.199 2.372 1.00 0.00 N ATOM 353 CA MET A 24 5.235 4.664 2.121 1.00 0.00 C ATOM 354 C MET A 24 6.646 5.164 2.462 1.00 0.00 C ATOM 355 O MET A 24 7.129 6.122 1.895 1.00 0.00 O ATOM 356 CB MET A 24 4.187 5.355 3.005 1.00 0.00 C ATOM 357 CG MET A 24 4.544 6.830 3.241 1.00 0.00 C ATOM 358 SD MET A 24 5.711 6.951 4.621 1.00 0.00 S ATOM 359 CE MET A 24 5.766 8.756 4.727 1.00 0.00 C ATOM 0 H MET A 24 4.570 2.922 3.155 1.00 0.00 H new ATOM 0 HA MET A 24 5.032 4.890 1.074 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.207 5.287 2.533 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.117 4.838 3.962 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.983 7.258 2.340 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.643 7.403 3.460 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.775 9.074 4.990 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.489 9.186 3.764 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.067 9.097 5.491 1.00 0.00 H new ATOM 369 N GLN A 25 7.306 4.528 3.390 1.00 0.00 N ATOM 370 CA GLN A 25 8.676 4.976 3.767 1.00 0.00 C ATOM 371 C GLN A 25 9.658 4.620 2.637 1.00 0.00 C ATOM 372 O GLN A 25 10.242 5.493 2.026 1.00 0.00 O ATOM 373 CB GLN A 25 9.097 4.288 5.076 1.00 0.00 C ATOM 374 CG GLN A 25 8.538 5.058 6.275 1.00 0.00 C ATOM 375 CD GLN A 25 9.349 6.336 6.482 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.563 6.313 6.439 1.00 0.00 O ATOM 377 NE2 GLN A 25 8.726 7.460 6.709 1.00 0.00 N ATOM 0 H GLN A 25 6.957 3.719 3.903 1.00 0.00 H new ATOM 0 HA GLN A 25 8.684 6.056 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.732 3.261 5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.184 4.241 5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.489 5.303 6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.581 4.438 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.707 7.480 6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.258 8.319 6.850 1.00 0.00 H new ATOM 386 N ALA A 26 9.850 3.358 2.356 1.00 0.00 N ATOM 387 CA ALA A 26 10.799 2.986 1.259 1.00 0.00 C ATOM 388 C ALA A 26 10.363 3.621 -0.059 1.00 0.00 C ATOM 389 O ALA A 26 11.171 3.866 -0.936 1.00 0.00 O ATOM 390 CB ALA A 26 10.812 1.470 1.102 1.00 0.00 C ATOM 0 H ALA A 26 9.399 2.576 2.830 1.00 0.00 H new ATOM 0 HA ALA A 26 11.795 3.347 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.501 1.193 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.134 1.010 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.810 1.121 0.853 1.00 0.00 H new ATOM 396 N ALA A 27 9.102 3.909 -0.210 1.00 0.00 N ATOM 397 CA ALA A 27 8.630 4.546 -1.468 1.00 0.00 C ATOM 398 C ALA A 27 9.344 5.892 -1.644 1.00 0.00 C ATOM 399 O ALA A 27 9.416 6.438 -2.728 1.00 0.00 O ATOM 400 CB ALA A 27 7.115 4.759 -1.346 1.00 0.00 C ATOM 0 H ALA A 27 8.377 3.730 0.485 1.00 0.00 H new ATOM 0 HA ALA A 27 8.848 3.919 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.739 5.226 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.623 3.797 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.906 5.405 -0.494 1.00 0.00 H new ATOM 406 N VAL A 28 9.861 6.429 -0.570 1.00 0.00 N ATOM 407 CA VAL A 28 10.565 7.744 -0.651 1.00 0.00 C ATOM 408 C VAL A 28 12.030 7.520 -1.021 1.00 0.00 C ATOM 409 O VAL A 28 12.696 8.398 -1.533 1.00 0.00 O ATOM 410 CB VAL A 28 10.493 8.443 0.701 1.00 0.00 C ATOM 411 CG1 VAL A 28 11.266 9.762 0.642 1.00 0.00 C ATOM 412 CG2 VAL A 28 9.032 8.725 1.053 1.00 0.00 C ATOM 0 H VAL A 28 9.826 6.014 0.361 1.00 0.00 H new ATOM 0 HA VAL A 28 10.086 8.362 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 28 10.934 7.800 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.212 10.259 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.308 9.562 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.829 10.406 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.981 9.225 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.591 9.366 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.481 7.786 1.101 1.00 0.00 H new ATOM 422 N SER A 29 12.533 6.351 -0.764 1.00 0.00 N ATOM 423 CA SER A 29 13.956 6.049 -1.082 1.00 0.00 C ATOM 424 C SER A 29 14.079 5.737 -2.571 1.00 0.00 C ATOM 425 O SER A 29 15.114 5.933 -3.173 1.00 0.00 O ATOM 426 CB SER A 29 14.383 4.829 -0.259 1.00 0.00 C ATOM 427 OG SER A 29 14.836 3.787 -1.113 1.00 0.00 O ATOM 0 H SER A 29 12.015 5.580 -0.342 1.00 0.00 H new ATOM 0 HA SER A 29 14.593 6.901 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.176 5.110 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.545 4.476 0.342 1.00 0.00 H new ATOM 0 HG SER A 29 15.106 3.015 -0.573 1.00 0.00 H new ATOM 433 N ASN A 30 13.017 5.258 -3.164 1.00 0.00 N ATOM 434 CA ASN A 30 13.028 4.929 -4.611 1.00 0.00 C ATOM 435 C ASN A 30 12.091 5.892 -5.326 1.00 0.00 C ATOM 436 O ASN A 30 11.934 5.845 -6.529 1.00 0.00 O ATOM 437 CB ASN A 30 12.539 3.497 -4.792 1.00 0.00 C ATOM 438 CG ASN A 30 13.651 2.535 -4.371 1.00 0.00 C ATOM 439 OD1 ASN A 30 14.098 1.723 -5.155 1.00 0.00 O ATOM 440 ND2 ASN A 30 14.127 2.603 -3.153 1.00 0.00 N ATOM 0 H ASN A 30 12.129 5.080 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 30 14.033 5.020 -5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.645 3.325 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.263 3.322 -5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.875 1.973 -2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.750 3.286 -2.496 1.00 0.00 H new ATOM 447 N GLY A 31 11.479 6.781 -4.589 1.00 0.00 N ATOM 448 CA GLY A 31 10.561 7.771 -5.233 1.00 0.00 C ATOM 449 C GLY A 31 9.377 7.036 -5.866 1.00 0.00 C ATOM 450 O GLY A 31 9.350 6.801 -7.057 1.00 0.00 O ATOM 0 H GLY A 31 11.573 6.866 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.204 8.487 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.098 8.339 -5.993 1.00 0.00 H new ATOM 454 N ILE A 32 8.407 6.663 -5.069 1.00 0.00 N ATOM 455 CA ILE A 32 7.216 5.924 -5.611 1.00 0.00 C ATOM 456 C ILE A 32 5.910 6.647 -5.253 1.00 0.00 C ATOM 457 O ILE A 32 5.192 7.107 -6.117 1.00 0.00 O ATOM 458 CB ILE A 32 7.195 4.527 -5.003 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.509 3.806 -5.332 1.00 0.00 C ATOM 460 CG2 ILE A 32 6.024 3.731 -5.574 1.00 0.00 C ATOM 461 CD1 ILE A 32 8.595 2.469 -4.572 1.00 0.00 C ATOM 0 H ILE A 32 8.385 6.837 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 32 7.295 5.874 -6.697 1.00 0.00 H new ATOM 0 HB ILE A 32 7.082 4.608 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.573 3.626 -6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.355 4.439 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.014 2.733 -5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.089 4.240 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.131 3.651 -6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.533 1.971 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.553 2.657 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.759 1.832 -4.861 1.00 0.00 H new ATOM 473 N TYR A 33 5.601 6.755 -3.992 1.00 0.00 N ATOM 474 CA TYR A 33 4.346 7.455 -3.572 1.00 0.00 C ATOM 475 C TYR A 33 4.639 8.932 -3.292 1.00 0.00 C ATOM 476 O TYR A 33 3.733 9.727 -3.130 1.00 0.00 O ATOM 477 CB TYR A 33 3.774 6.779 -2.312 1.00 0.00 C ATOM 478 CG TYR A 33 2.975 5.553 -2.711 1.00 0.00 C ATOM 479 CD1 TYR A 33 1.815 5.696 -3.481 1.00 0.00 C ATOM 480 CD2 TYR A 33 3.399 4.276 -2.318 1.00 0.00 C ATOM 481 CE1 TYR A 33 1.083 4.566 -3.868 1.00 0.00 C ATOM 482 CE2 TYR A 33 2.663 3.148 -2.698 1.00 0.00 C ATOM 483 CZ TYR A 33 1.508 3.292 -3.476 1.00 0.00 C ATOM 484 OH TYR A 33 0.788 2.177 -3.850 1.00 0.00 O ATOM 0 H TYR A 33 6.165 6.387 -3.226 1.00 0.00 H new ATOM 0 HA TYR A 33 3.612 7.390 -4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.584 6.495 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.139 7.478 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.483 6.680 -3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.293 4.163 -1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.192 4.678 -4.468 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.987 2.165 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 33 1.222 1.373 -3.495 1.00 0.00 H new ATOM 494 N ASP A 34 5.897 9.297 -3.202 1.00 0.00 N ATOM 495 CA ASP A 34 6.263 10.722 -2.906 1.00 0.00 C ATOM 496 C ASP A 34 5.321 11.667 -3.654 1.00 0.00 C ATOM 497 O ASP A 34 4.754 12.576 -3.077 1.00 0.00 O ATOM 498 CB ASP A 34 7.701 10.979 -3.353 1.00 0.00 C ATOM 499 CG ASP A 34 7.869 10.542 -4.809 1.00 0.00 C ATOM 500 OD1 ASP A 34 7.543 9.404 -5.112 1.00 0.00 O ATOM 501 OD2 ASP A 34 8.319 11.352 -5.607 1.00 0.00 O ATOM 0 H ASP A 34 6.690 8.667 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 34 6.174 10.901 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.941 12.037 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.395 10.431 -2.715 1.00 0.00 H new ATOM 506 N ILE A 35 5.149 11.452 -4.930 1.00 0.00 N ATOM 507 CA ILE A 35 4.237 12.325 -5.725 1.00 0.00 C ATOM 508 C ILE A 35 2.942 12.563 -4.933 1.00 0.00 C ATOM 509 O ILE A 35 2.286 11.632 -4.516 1.00 0.00 O ATOM 510 CB ILE A 35 3.912 11.643 -7.064 1.00 0.00 C ATOM 511 CG1 ILE A 35 3.068 12.589 -7.923 1.00 0.00 C ATOM 512 CG2 ILE A 35 3.135 10.346 -6.805 1.00 0.00 C ATOM 513 CD1 ILE A 35 2.986 12.046 -9.351 1.00 0.00 C ATOM 0 H ILE A 35 5.602 10.707 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 35 4.722 13.282 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 35 4.838 11.407 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.068 12.685 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.510 13.586 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.905 9.864 -7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.740 9.675 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.207 10.576 -6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.385 12.719 -9.962 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.989 11.973 -9.771 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.525 11.058 -9.339 1.00 0.00 H new ATOM 525 N VAL A 36 2.589 13.802 -4.719 1.00 0.00 N ATOM 526 CA VAL A 36 1.351 14.117 -3.943 1.00 0.00 C ATOM 527 C VAL A 36 1.410 13.439 -2.567 1.00 0.00 C ATOM 528 O VAL A 36 2.197 12.543 -2.334 1.00 0.00 O ATOM 529 CB VAL A 36 0.114 13.634 -4.706 1.00 0.00 C ATOM 530 CG1 VAL A 36 -1.139 13.866 -3.855 1.00 0.00 C ATOM 531 CG2 VAL A 36 -0.010 14.417 -6.013 1.00 0.00 C ATOM 0 H VAL A 36 3.107 14.616 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 36 1.285 15.197 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 36 0.213 12.570 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.018 13.522 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.052 13.312 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.240 14.930 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.889 14.076 -6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.109 15.480 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.880 14.254 -6.621 1.00 0.00 H new ATOM 541 N GLY A 37 0.583 13.872 -1.649 1.00 0.00 N ATOM 542 CA GLY A 37 0.581 13.270 -0.288 1.00 0.00 C ATOM 543 C GLY A 37 -0.294 14.127 0.631 1.00 0.00 C ATOM 544 O GLY A 37 0.004 15.279 0.880 1.00 0.00 O ATOM 0 H GLY A 37 -0.094 14.622 -1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.200 12.250 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.597 13.216 0.102 1.00 0.00 H new ATOM 548 N ASP A 38 -1.379 13.589 1.130 1.00 0.00 N ATOM 549 CA ASP A 38 -2.264 14.403 2.023 1.00 0.00 C ATOM 550 C ASP A 38 -1.794 14.289 3.469 1.00 0.00 C ATOM 551 O ASP A 38 -1.075 15.133 3.966 1.00 0.00 O ATOM 552 CB ASP A 38 -3.702 13.899 1.913 1.00 0.00 C ATOM 553 CG ASP A 38 -4.605 14.743 2.818 1.00 0.00 C ATOM 554 OD1 ASP A 38 -4.949 15.843 2.418 1.00 0.00 O ATOM 555 OD2 ASP A 38 -4.935 14.275 3.893 1.00 0.00 O ATOM 0 H ASP A 38 -1.689 12.632 0.961 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.218 15.447 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.043 13.961 0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.755 12.850 2.204 1.00 0.00 H new ATOM 560 N CYS A 39 -2.196 13.255 4.158 1.00 0.00 N ATOM 561 CA CYS A 39 -1.773 13.099 5.579 1.00 0.00 C ATOM 562 C CYS A 39 -0.276 12.780 5.635 1.00 0.00 C ATOM 563 O CYS A 39 0.230 12.325 6.637 1.00 0.00 O ATOM 564 CB CYS A 39 -2.572 11.962 6.229 1.00 0.00 C ATOM 565 SG CYS A 39 -1.902 10.352 5.725 1.00 0.00 S ATOM 0 H CYS A 39 -2.797 12.513 3.799 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.963 14.026 6.120 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.534 12.056 7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.620 12.034 5.940 1.00 0.00 H new ATOM 570 N GLY A 40 0.435 13.002 4.564 1.00 0.00 N ATOM 571 CA GLY A 40 1.892 12.696 4.566 1.00 0.00 C ATOM 572 C GLY A 40 2.083 11.254 5.035 1.00 0.00 C ATOM 573 O GLY A 40 3.174 10.828 5.355 1.00 0.00 O ATOM 0 H GLY A 40 0.071 13.381 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.308 12.828 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.423 13.383 5.226 1.00 0.00 H new ATOM 577 N GLY A 41 1.017 10.507 5.073 1.00 0.00 N ATOM 578 CA GLY A 41 1.101 9.089 5.522 1.00 0.00 C ATOM 579 C GLY A 41 0.922 9.029 7.037 1.00 0.00 C ATOM 580 O GLY A 41 1.872 9.109 7.796 1.00 0.00 O ATOM 0 H GLY A 41 0.082 10.820 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.333 8.493 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.064 8.663 5.241 1.00 0.00 H new ATOM 584 N SER A 42 -0.293 8.896 7.490 1.00 0.00 N ATOM 585 CA SER A 42 -0.552 8.836 8.955 1.00 0.00 C ATOM 586 C SER A 42 -1.913 8.185 9.190 1.00 0.00 C ATOM 587 O SER A 42 -2.532 8.371 10.217 1.00 0.00 O ATOM 588 CB SER A 42 -0.556 10.252 9.525 1.00 0.00 C ATOM 589 OG SER A 42 -0.868 10.199 10.915 1.00 0.00 O ATOM 0 H SER A 42 -1.124 8.826 6.903 1.00 0.00 H new ATOM 0 HA SER A 42 0.225 8.252 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.418 10.719 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.287 10.866 8.999 1.00 0.00 H new ATOM 0 HG SER A 42 -1.733 9.755 11.039 1.00 0.00 H new ATOM 595 N ALA A 43 -2.383 7.425 8.247 1.00 0.00 N ATOM 596 CA ALA A 43 -3.702 6.761 8.411 1.00 0.00 C ATOM 597 C ALA A 43 -4.789 7.815 8.647 1.00 0.00 C ATOM 598 O ALA A 43 -5.410 7.852 9.691 1.00 0.00 O ATOM 599 CB ALA A 43 -3.643 5.802 9.607 1.00 0.00 C ATOM 0 H ALA A 43 -1.909 7.233 7.365 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.940 6.201 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.610 5.313 9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.875 5.048 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.402 6.362 10.511 1.00 0.00 H new ATOM 605 N SER A 44 -5.028 8.675 7.690 1.00 0.00 N ATOM 606 CA SER A 44 -6.076 9.716 7.881 1.00 0.00 C ATOM 607 C SER A 44 -6.517 10.283 6.530 1.00 0.00 C ATOM 608 O SER A 44 -7.032 11.380 6.450 1.00 0.00 O ATOM 609 CB SER A 44 -5.517 10.845 8.745 1.00 0.00 C ATOM 610 OG SER A 44 -6.591 11.640 9.229 1.00 0.00 O ATOM 0 H SER A 44 -4.545 8.700 6.792 1.00 0.00 H new ATOM 0 HA SER A 44 -6.937 9.263 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.949 10.433 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.829 11.458 8.163 1.00 0.00 H new ATOM 0 HG SER A 44 -7.173 11.893 8.482 1.00 0.00 H new ATOM 616 N CYS A 45 -6.332 9.547 5.467 1.00 0.00 N ATOM 617 CA CYS A 45 -6.760 10.062 4.136 1.00 0.00 C ATOM 618 C CYS A 45 -6.863 8.909 3.136 1.00 0.00 C ATOM 619 O CYS A 45 -6.377 7.819 3.367 1.00 0.00 O ATOM 620 CB CYS A 45 -5.755 11.114 3.627 1.00 0.00 C ATOM 621 SG CYS A 45 -4.388 10.327 2.724 1.00 0.00 S ATOM 0 H CYS A 45 -5.907 8.620 5.462 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.739 10.530 4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.265 11.824 2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.360 11.682 4.469 1.00 0.00 H new ATOM 626 N ALA A 46 -7.485 9.152 2.016 1.00 0.00 N ATOM 627 CA ALA A 46 -7.623 8.093 0.976 1.00 0.00 C ATOM 628 C ALA A 46 -6.524 8.286 -0.065 1.00 0.00 C ATOM 629 O ALA A 46 -6.480 7.599 -1.072 1.00 0.00 O ATOM 630 CB ALA A 46 -8.999 8.220 0.306 1.00 0.00 C ATOM 0 H ALA A 46 -7.908 10.048 1.774 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.534 7.105 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.105 7.448 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.781 8.100 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.088 9.202 -0.158 1.00 0.00 H new ATOM 636 N THR A 47 -5.640 9.222 0.147 1.00 0.00 N ATOM 637 CA THR A 47 -4.553 9.459 -0.833 1.00 0.00 C ATOM 638 C THR A 47 -3.875 8.134 -1.174 1.00 0.00 C ATOM 639 O THR A 47 -3.762 7.763 -2.326 1.00 0.00 O ATOM 640 CB THR A 47 -3.521 10.430 -0.255 1.00 0.00 C ATOM 641 OG1 THR A 47 -4.191 11.542 0.317 1.00 0.00 O ATOM 642 CG2 THR A 47 -2.591 10.916 -1.366 1.00 0.00 C ATOM 0 H THR A 47 -5.627 9.834 0.963 1.00 0.00 H new ATOM 0 HA THR A 47 -4.980 9.895 -1.736 1.00 0.00 H new ATOM 0 HB THR A 47 -2.935 9.921 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.523 11.301 1.207 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.858 11.607 -0.950 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.076 10.063 -1.808 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.175 11.425 -2.133 1.00 0.00 H new ATOM 650 N CYS A 48 -3.420 7.407 -0.185 1.00 0.00 N ATOM 651 CA CYS A 48 -2.756 6.110 -0.481 1.00 0.00 C ATOM 652 C CYS A 48 -3.819 5.034 -0.736 1.00 0.00 C ATOM 653 O CYS A 48 -3.813 3.985 -0.123 1.00 0.00 O ATOM 654 CB CYS A 48 -1.889 5.703 0.690 1.00 0.00 C ATOM 655 SG CYS A 48 -2.950 5.400 2.116 1.00 0.00 S ATOM 0 H CYS A 48 -3.480 7.655 0.803 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.133 6.218 -1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.320 4.806 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.167 6.487 0.916 1.00 0.00 H new ATOM 660 N HIS A 49 -4.722 5.287 -1.641 1.00 0.00 N ATOM 661 CA HIS A 49 -5.783 4.286 -1.972 1.00 0.00 C ATOM 662 C HIS A 49 -5.157 3.213 -2.862 1.00 0.00 C ATOM 663 O HIS A 49 -4.898 3.452 -4.027 1.00 0.00 O ATOM 664 CB HIS A 49 -6.912 5.003 -2.725 1.00 0.00 C ATOM 665 CG HIS A 49 -7.829 4.021 -3.423 1.00 0.00 C ATOM 666 ND1 HIS A 49 -8.635 3.104 -2.750 1.00 0.00 N ATOM 667 CD2 HIS A 49 -8.067 3.814 -4.745 1.00 0.00 C ATOM 668 CE1 HIS A 49 -9.303 2.393 -3.695 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.986 2.794 -4.920 1.00 0.00 N ATOM 0 H HIS A 49 -4.774 6.155 -2.174 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.189 3.826 -1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.490 5.607 -2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -6.484 5.686 -3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.603 4.368 -5.548 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.004 1.601 -3.477 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.344 2.428 -5.802 1.00 0.00 H new ATOM 678 N VAL A 50 -4.898 2.037 -2.343 1.00 0.00 N ATOM 679 CA VAL A 50 -4.274 0.973 -3.189 1.00 0.00 C ATOM 680 C VAL A 50 -4.844 -0.392 -2.811 1.00 0.00 C ATOM 681 O VAL A 50 -5.478 -0.556 -1.786 1.00 0.00 O ATOM 682 CB VAL A 50 -2.734 0.993 -3.022 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.278 2.416 -2.685 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.286 0.040 -1.897 1.00 0.00 C ATOM 0 H VAL A 50 -5.090 1.770 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.506 1.166 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.283 0.662 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.195 2.433 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.566 3.091 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.749 2.739 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.201 0.074 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.743 0.348 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.597 -0.977 -2.136 1.00 0.00 H new ATOM 694 N TYR A 51 -4.628 -1.361 -3.656 1.00 0.00 N ATOM 695 CA TYR A 51 -5.152 -2.728 -3.405 1.00 0.00 C ATOM 696 C TYR A 51 -3.991 -3.695 -3.121 1.00 0.00 C ATOM 697 O TYR A 51 -3.204 -4.027 -3.987 1.00 0.00 O ATOM 698 CB TYR A 51 -5.922 -3.134 -4.658 1.00 0.00 C ATOM 699 CG TYR A 51 -7.056 -2.145 -4.896 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.012 -1.883 -3.891 1.00 0.00 C ATOM 701 CD2 TYR A 51 -7.121 -1.441 -6.107 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.013 -0.933 -4.112 1.00 0.00 C ATOM 703 CE2 TYR A 51 -8.130 -0.508 -6.318 1.00 0.00 C ATOM 704 CZ TYR A 51 -9.070 -0.248 -5.331 1.00 0.00 C ATOM 705 OH TYR A 51 -10.039 0.698 -5.563 1.00 0.00 O ATOM 0 H TYR A 51 -4.101 -1.259 -4.524 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.805 -2.755 -2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.254 -3.153 -5.519 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.321 -4.142 -4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.970 -2.416 -2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.386 -1.624 -6.877 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.742 -0.728 -3.342 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.183 0.019 -7.259 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.896 0.383 -5.207 1.00 0.00 H new ATOM 715 N VAL A 52 -3.908 -4.144 -1.902 1.00 0.00 N ATOM 716 CA VAL A 52 -2.836 -5.098 -1.498 1.00 0.00 C ATOM 717 C VAL A 52 -3.308 -6.519 -1.815 1.00 0.00 C ATOM 718 O VAL A 52 -4.405 -6.898 -1.459 1.00 0.00 O ATOM 719 CB VAL A 52 -2.571 -4.989 0.012 1.00 0.00 C ATOM 720 CG1 VAL A 52 -1.307 -5.772 0.365 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.387 -3.519 0.432 1.00 0.00 C ATOM 0 H VAL A 52 -4.550 -3.886 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.919 -4.865 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.429 -5.401 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.118 -5.695 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.440 -6.819 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.459 -5.361 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.201 -3.468 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.540 -3.091 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.290 -2.957 0.193 1.00 0.00 H new ATOM 731 N ASN A 53 -2.504 -7.317 -2.476 1.00 0.00 N ATOM 732 CA ASN A 53 -2.945 -8.707 -2.786 1.00 0.00 C ATOM 733 C ASN A 53 -3.536 -9.352 -1.525 1.00 0.00 C ATOM 734 O ASN A 53 -2.921 -9.371 -0.484 1.00 0.00 O ATOM 735 CB ASN A 53 -1.745 -9.511 -3.285 1.00 0.00 C ATOM 736 CG ASN A 53 -2.078 -11.003 -3.341 1.00 0.00 C ATOM 737 OD1 ASN A 53 -3.204 -11.399 -3.113 1.00 0.00 O ATOM 738 ND2 ASN A 53 -1.135 -11.850 -3.645 1.00 0.00 N ATOM 0 H ASN A 53 -1.573 -7.067 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.712 -8.692 -3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.453 -9.161 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.893 -9.348 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.341 -12.848 -3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.191 -11.515 -3.836 1.00 0.00 H new ATOM 745 N GLU A 54 -4.738 -9.857 -1.623 1.00 0.00 N ATOM 746 CA GLU A 54 -5.398 -10.481 -0.435 1.00 0.00 C ATOM 747 C GLU A 54 -4.549 -11.623 0.138 1.00 0.00 C ATOM 748 O GLU A 54 -5.029 -12.399 0.943 1.00 0.00 O ATOM 749 CB GLU A 54 -6.761 -11.037 -0.854 1.00 0.00 C ATOM 750 CG GLU A 54 -6.566 -12.145 -1.895 1.00 0.00 C ATOM 751 CD GLU A 54 -7.925 -12.570 -2.445 1.00 0.00 C ATOM 752 OE1 GLU A 54 -8.800 -12.868 -1.649 1.00 0.00 O ATOM 753 OE2 GLU A 54 -8.069 -12.592 -3.658 1.00 0.00 O ATOM 0 H GLU A 54 -5.294 -9.865 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.513 -9.717 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.288 -11.430 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.379 -10.240 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.929 -11.790 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.061 -12.999 -1.443 1.00 0.00 H new ATOM 760 N ALA A 55 -3.305 -11.741 -0.243 1.00 0.00 N ATOM 761 CA ALA A 55 -2.447 -12.839 0.295 1.00 0.00 C ATOM 762 C ALA A 55 -1.539 -12.293 1.399 1.00 0.00 C ATOM 763 O ALA A 55 -1.002 -13.039 2.184 1.00 0.00 O ATOM 764 CB ALA A 55 -1.580 -13.403 -0.825 1.00 0.00 C ATOM 0 H ALA A 55 -2.843 -11.121 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.086 -13.624 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.954 -14.204 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.218 -13.796 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.947 -12.613 -1.228 1.00 0.00 H new ATOM 770 N PHE A 56 -1.344 -11.003 1.453 1.00 0.00 N ATOM 771 CA PHE A 56 -0.451 -10.395 2.490 1.00 0.00 C ATOM 772 C PHE A 56 -1.296 -9.537 3.438 1.00 0.00 C ATOM 773 O PHE A 56 -0.842 -9.098 4.470 1.00 0.00 O ATOM 774 CB PHE A 56 0.531 -9.508 1.731 1.00 0.00 C ATOM 775 CG PHE A 56 1.494 -10.390 0.970 1.00 0.00 C ATOM 776 CD1 PHE A 56 1.114 -10.960 -0.242 1.00 0.00 C ATOM 777 CD2 PHE A 56 2.753 -10.663 1.504 1.00 0.00 C ATOM 778 CE1 PHE A 56 1.996 -11.806 -0.927 1.00 0.00 C ATOM 779 CE2 PHE A 56 3.637 -11.501 0.827 1.00 0.00 C ATOM 780 CZ PHE A 56 3.259 -12.080 -0.386 1.00 0.00 C ATOM 0 H PHE A 56 -1.771 -10.332 0.814 1.00 0.00 H new ATOM 0 HA PHE A 56 0.068 -11.152 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.005 -8.853 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.074 -8.866 2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.138 -10.750 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.044 -10.223 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.703 -12.246 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.614 -11.703 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.939 -12.738 -0.906 1.00 0.00 H new ATOM 790 N THR A 57 -2.525 -9.300 3.084 1.00 0.00 N ATOM 791 CA THR A 57 -3.422 -8.465 3.940 1.00 0.00 C ATOM 792 C THR A 57 -3.753 -9.211 5.231 1.00 0.00 C ATOM 793 O THR A 57 -3.765 -8.648 6.307 1.00 0.00 O ATOM 794 CB THR A 57 -4.733 -8.200 3.195 1.00 0.00 C ATOM 795 OG1 THR A 57 -5.199 -9.408 2.615 1.00 0.00 O ATOM 796 CG2 THR A 57 -4.502 -7.166 2.102 1.00 0.00 C ATOM 0 H THR A 57 -2.956 -9.651 2.229 1.00 0.00 H new ATOM 0 HA THR A 57 -2.915 -7.528 4.169 1.00 0.00 H new ATOM 0 HB THR A 57 -5.477 -7.822 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.157 -9.331 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.437 -6.980 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.147 -6.237 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.757 -7.539 1.400 1.00 0.00 H new ATOM 804 N ASP A 58 -4.042 -10.476 5.120 1.00 0.00 N ATOM 805 CA ASP A 58 -4.397 -11.272 6.323 1.00 0.00 C ATOM 806 C ASP A 58 -3.127 -11.704 7.048 1.00 0.00 C ATOM 807 O ASP A 58 -3.174 -12.436 8.014 1.00 0.00 O ATOM 808 CB ASP A 58 -5.199 -12.506 5.899 1.00 0.00 C ATOM 809 CG ASP A 58 -4.311 -13.435 5.072 1.00 0.00 C ATOM 810 OD1 ASP A 58 -4.260 -13.254 3.861 1.00 0.00 O ATOM 811 OD2 ASP A 58 -3.697 -14.311 5.654 1.00 0.00 O ATOM 0 H ASP A 58 -4.047 -10.995 4.242 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.001 -10.663 6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.571 -13.030 6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.069 -12.204 5.316 1.00 0.00 H new ATOM 816 N LYS A 59 -1.992 -11.251 6.582 1.00 0.00 N ATOM 817 CA LYS A 59 -0.700 -11.622 7.236 1.00 0.00 C ATOM 818 C LYS A 59 -0.080 -10.375 7.867 1.00 0.00 C ATOM 819 O LYS A 59 0.495 -10.425 8.934 1.00 0.00 O ATOM 820 CB LYS A 59 0.241 -12.181 6.172 1.00 0.00 C ATOM 821 CG LYS A 59 -0.527 -13.134 5.234 1.00 0.00 C ATOM 822 CD LYS A 59 0.458 -14.092 4.535 1.00 0.00 C ATOM 823 CE LYS A 59 0.828 -15.263 5.460 1.00 0.00 C ATOM 824 NZ LYS A 59 1.623 -16.258 4.687 1.00 0.00 N ATOM 0 H LYS A 59 -1.903 -10.637 5.772 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.869 -12.370 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.677 -11.365 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.066 -12.712 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.261 -13.705 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.078 -12.559 4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.011 -14.474 3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.359 -13.550 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.403 -14.902 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.074 -15.728 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.878 -17.054 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.058 -16.608 3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.489 -15.807 4.328 1.00 0.00 H new ATOM 838 N VAL A 60 -0.196 -9.256 7.205 1.00 0.00 N ATOM 839 CA VAL A 60 0.377 -7.988 7.756 1.00 0.00 C ATOM 840 C VAL A 60 -0.650 -7.415 8.759 1.00 0.00 C ATOM 841 O VAL A 60 -1.808 -7.777 8.736 1.00 0.00 O ATOM 842 CB VAL A 60 0.694 -7.052 6.532 1.00 0.00 C ATOM 843 CG1 VAL A 60 -0.165 -5.767 6.506 1.00 0.00 C ATOM 844 CG2 VAL A 60 2.217 -6.687 6.442 1.00 0.00 C ATOM 0 H VAL A 60 -0.664 -9.162 6.303 1.00 0.00 H new ATOM 0 HA VAL A 60 1.310 -8.119 8.304 1.00 0.00 H new ATOM 0 HB VAL A 60 0.427 -7.638 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.104 -5.167 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.220 -6.036 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.014 -5.191 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.386 -6.040 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.521 -6.169 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.804 -7.599 6.331 1.00 0.00 H new ATOM 854 N PRO A 61 -0.219 -6.579 9.661 1.00 0.00 N ATOM 855 CA PRO A 61 -1.112 -6.016 10.728 1.00 0.00 C ATOM 856 C PRO A 61 -2.420 -5.397 10.184 1.00 0.00 C ATOM 857 O PRO A 61 -2.527 -4.203 9.983 1.00 0.00 O ATOM 858 CB PRO A 61 -0.244 -4.972 11.470 1.00 0.00 C ATOM 859 CG PRO A 61 1.088 -4.912 10.759 1.00 0.00 C ATOM 860 CD PRO A 61 1.158 -6.087 9.772 1.00 0.00 C ATOM 0 HA PRO A 61 -1.463 -6.809 11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.728 -3.995 11.464 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.110 -5.255 12.514 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.195 -3.965 10.231 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.906 -4.970 11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.540 -5.765 8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.827 -6.867 10.135 1.00 0.00 H new ATOM 868 N ALA A 62 -3.422 -6.220 9.981 1.00 0.00 N ATOM 869 CA ALA A 62 -4.743 -5.743 9.499 1.00 0.00 C ATOM 870 C ALA A 62 -5.284 -4.727 10.492 1.00 0.00 C ATOM 871 O ALA A 62 -5.715 -5.060 11.575 1.00 0.00 O ATOM 872 CB ALA A 62 -5.711 -6.924 9.402 1.00 0.00 C ATOM 0 H ALA A 62 -3.370 -7.227 10.136 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.637 -5.286 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.680 -6.572 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.316 -7.662 8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.828 -7.381 10.385 1.00 0.00 H new ATOM 878 N ALA A 63 -5.234 -3.488 10.132 1.00 0.00 N ATOM 879 CA ALA A 63 -5.707 -2.393 11.032 1.00 0.00 C ATOM 880 C ALA A 63 -7.173 -2.574 11.467 1.00 0.00 C ATOM 881 O ALA A 63 -7.989 -3.144 10.772 1.00 0.00 O ATOM 882 CB ALA A 63 -5.570 -1.074 10.264 1.00 0.00 C ATOM 0 H ALA A 63 -4.878 -3.170 9.231 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.103 -2.404 11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.907 -0.250 10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.526 -0.918 9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.179 -1.114 9.361 1.00 0.00 H new ATOM 888 N ASN A 64 -7.486 -2.075 12.638 1.00 0.00 N ATOM 889 CA ASN A 64 -8.878 -2.187 13.179 1.00 0.00 C ATOM 890 C ASN A 64 -9.866 -1.457 12.249 1.00 0.00 C ATOM 891 O ASN A 64 -9.517 -1.027 11.169 1.00 0.00 O ATOM 892 CB ASN A 64 -8.949 -1.599 14.593 1.00 0.00 C ATOM 893 CG ASN A 64 -8.098 -0.334 14.681 1.00 0.00 C ATOM 894 OD1 ASN A 64 -8.609 0.761 14.579 1.00 0.00 O ATOM 895 ND2 ASN A 64 -6.812 -0.440 14.886 1.00 0.00 N ATOM 0 H ASN A 64 -6.829 -1.589 13.249 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.152 -3.241 13.227 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.984 -1.369 14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.598 -2.333 15.318 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.237 0.399 14.960 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.383 -1.362 14.972 1.00 0.00 H new ATOM 902 N GLU A 65 -11.106 -1.345 12.668 1.00 0.00 N ATOM 903 CA GLU A 65 -12.153 -0.679 11.820 1.00 0.00 C ATOM 904 C GLU A 65 -11.960 0.841 11.717 1.00 0.00 C ATOM 905 O GLU A 65 -12.756 1.520 11.103 1.00 0.00 O ATOM 906 CB GLU A 65 -13.536 -0.965 12.408 1.00 0.00 C ATOM 907 CG GLU A 65 -13.654 -0.330 13.796 1.00 0.00 C ATOM 908 CD GLU A 65 -14.893 -0.885 14.498 1.00 0.00 C ATOM 909 OE1 GLU A 65 -15.989 -0.563 14.065 1.00 0.00 O ATOM 910 OE2 GLU A 65 -14.726 -1.625 15.456 1.00 0.00 O ATOM 0 H GLU A 65 -11.441 -1.689 13.568 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.060 -1.089 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.309 -0.568 11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.696 -2.041 12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.762 -0.544 14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.726 0.754 13.708 1.00 0.00 H new ATOM 917 N ARG A 66 -10.938 1.395 12.308 1.00 0.00 N ATOM 918 CA ARG A 66 -10.766 2.872 12.203 1.00 0.00 C ATOM 919 C ARG A 66 -10.287 3.220 10.796 1.00 0.00 C ATOM 920 O ARG A 66 -10.813 4.102 10.146 1.00 0.00 O ATOM 921 CB ARG A 66 -9.743 3.351 13.239 1.00 0.00 C ATOM 922 CG ARG A 66 -10.402 3.419 14.632 1.00 0.00 C ATOM 923 CD ARG A 66 -9.470 4.115 15.655 1.00 0.00 C ATOM 924 NE ARG A 66 -9.012 3.117 16.669 1.00 0.00 N ATOM 925 CZ ARG A 66 -8.866 3.453 17.938 1.00 0.00 C ATOM 926 NH1 ARG A 66 -9.163 4.658 18.355 1.00 0.00 N ATOM 927 NH2 ARG A 66 -8.422 2.575 18.793 1.00 0.00 N ATOM 0 H ARG A 66 -10.227 0.902 12.849 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.718 3.367 12.396 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.891 2.672 13.263 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.361 4.333 12.959 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.345 3.962 14.566 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.638 2.412 14.976 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.611 4.550 15.144 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.997 4.933 16.146 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.809 2.161 16.376 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.513 5.354 17.696 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.044 4.901 19.339 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.189 1.632 18.481 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.308 2.831 19.774 1.00 0.00 H new ATOM 941 N GLU A 67 -9.311 2.512 10.307 1.00 0.00 N ATOM 942 CA GLU A 67 -8.803 2.772 8.934 1.00 0.00 C ATOM 943 C GLU A 67 -9.912 2.464 7.924 1.00 0.00 C ATOM 944 O GLU A 67 -9.933 2.983 6.821 1.00 0.00 O ATOM 945 CB GLU A 67 -7.598 1.869 8.669 1.00 0.00 C ATOM 946 CG GLU A 67 -6.364 2.435 9.381 1.00 0.00 C ATOM 947 CD GLU A 67 -6.669 2.634 10.869 1.00 0.00 C ATOM 948 OE1 GLU A 67 -7.173 1.708 11.488 1.00 0.00 O ATOM 949 OE2 GLU A 67 -6.390 3.712 11.376 1.00 0.00 O ATOM 0 H GLU A 67 -8.839 1.757 10.804 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.503 3.815 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.803 0.859 9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.412 1.799 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.520 1.756 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.076 3.384 8.929 1.00 0.00 H new ATOM 956 N ILE A 68 -10.830 1.612 8.283 1.00 0.00 N ATOM 957 CA ILE A 68 -11.932 1.272 7.339 1.00 0.00 C ATOM 958 C ILE A 68 -12.831 2.504 7.162 1.00 0.00 C ATOM 959 O ILE A 68 -13.369 2.746 6.102 1.00 0.00 O ATOM 960 CB ILE A 68 -12.742 0.083 7.888 1.00 0.00 C ATOM 961 CG1 ILE A 68 -11.968 -1.223 7.646 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.094 -0.009 7.167 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.531 -1.082 8.156 1.00 0.00 C ATOM 0 H ILE A 68 -10.866 1.137 9.185 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.520 0.986 6.371 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.903 0.232 8.956 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.464 -2.049 8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.963 -1.461 6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.660 -0.853 7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.655 0.911 7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.928 -0.151 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.990 -2.012 7.981 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.035 -0.268 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.544 -0.866 9.224 1.00 0.00 H new ATOM 975 N GLY A 69 -13.002 3.276 8.198 1.00 0.00 N ATOM 976 CA GLY A 69 -13.875 4.487 8.100 1.00 0.00 C ATOM 977 C GLY A 69 -13.343 5.448 7.027 1.00 0.00 C ATOM 978 O GLY A 69 -14.083 6.235 6.471 1.00 0.00 O ATOM 0 H GLY A 69 -12.576 3.123 9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.895 4.189 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.913 4.994 9.064 1.00 0.00 H new ATOM 982 N MET A 70 -12.075 5.383 6.715 1.00 0.00 N ATOM 983 CA MET A 70 -11.519 6.288 5.654 1.00 0.00 C ATOM 984 C MET A 70 -11.676 5.576 4.312 1.00 0.00 C ATOM 985 O MET A 70 -11.883 6.193 3.283 1.00 0.00 O ATOM 986 CB MET A 70 -10.024 6.601 5.935 1.00 0.00 C ATOM 987 CG MET A 70 -9.660 6.239 7.378 1.00 0.00 C ATOM 988 SD MET A 70 -10.693 7.164 8.543 1.00 0.00 S ATOM 989 CE MET A 70 -9.872 6.630 10.076 1.00 0.00 C ATOM 0 H MET A 70 -11.401 4.748 7.143 1.00 0.00 H new ATOM 0 HA MET A 70 -12.055 7.237 5.644 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.394 6.042 5.244 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.829 7.659 5.759 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.793 5.169 7.535 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.608 6.460 7.560 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.624 6.344 10.811 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.228 5.776 9.865 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.271 7.449 10.471 1.00 0.00 H new ATOM 999 N LEU A 71 -11.606 4.272 4.320 1.00 0.00 N ATOM 1000 CA LEU A 71 -11.779 3.507 3.055 1.00 0.00 C ATOM 1001 C LEU A 71 -13.227 3.666 2.603 1.00 0.00 C ATOM 1002 O LEU A 71 -13.549 3.522 1.447 1.00 0.00 O ATOM 1003 CB LEU A 71 -11.485 2.027 3.312 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.966 1.793 3.423 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.696 0.342 3.871 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.278 2.055 2.059 1.00 0.00 C ATOM 0 H LEU A 71 -11.436 3.704 5.150 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.098 3.877 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.977 1.706 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.894 1.422 2.503 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.557 2.484 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.621 0.179 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.160 0.169 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.116 -0.349 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.205 1.885 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.687 1.378 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.457 3.086 1.753 1.00 0.00 H new ATOM 1018 N GLU A 72 -14.104 3.972 3.516 1.00 0.00 N ATOM 1019 CA GLU A 72 -15.531 4.158 3.143 1.00 0.00 C ATOM 1020 C GLU A 72 -15.695 5.562 2.556 1.00 0.00 C ATOM 1021 O GLU A 72 -16.777 5.977 2.196 1.00 0.00 O ATOM 1022 CB GLU A 72 -16.392 4.006 4.408 1.00 0.00 C ATOM 1023 CG GLU A 72 -17.877 4.150 4.051 1.00 0.00 C ATOM 1024 CD GLU A 72 -18.734 3.569 5.178 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -18.959 4.276 6.145 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -19.150 2.429 5.054 1.00 0.00 O ATOM 0 H GLU A 72 -13.893 4.101 4.506 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.844 3.418 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.212 3.033 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.111 4.761 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.124 5.200 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.089 3.632 3.116 1.00 0.00 H new ATOM 1033 N CYS A 73 -14.613 6.300 2.473 1.00 0.00 N ATOM 1034 CA CYS A 73 -14.663 7.700 1.943 1.00 0.00 C ATOM 1035 C CYS A 73 -13.721 7.845 0.721 1.00 0.00 C ATOM 1036 O CYS A 73 -13.145 8.892 0.508 1.00 0.00 O ATOM 1037 CB CYS A 73 -14.226 8.654 3.087 1.00 0.00 C ATOM 1038 SG CYS A 73 -15.550 9.843 3.452 1.00 0.00 S ATOM 0 H CYS A 73 -13.684 5.986 2.754 1.00 0.00 H new ATOM 0 HA CYS A 73 -15.672 7.948 1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -13.989 8.077 3.981 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -13.319 9.186 2.800 1.00 0.00 H new ATOM 0 HG CYS A 73 -15.171 10.633 4.412 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.557 6.814 -0.061 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.648 6.911 -1.254 1.00 0.00 C ATOM 1046 C VAL A 74 -13.441 7.268 -2.514 1.00 0.00 C ATOM 1047 O VAL A 74 -14.655 7.198 -2.538 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.993 5.554 -1.486 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -11.067 5.235 -0.301 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -13.085 4.459 -1.633 1.00 0.00 C ATOM 0 H VAL A 74 -14.008 5.908 0.068 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.905 7.684 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.405 5.579 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.594 4.266 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.299 6.004 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.650 5.208 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.610 3.492 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.684 4.418 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.728 4.698 -2.480 1.00 0.00 H new ATOM 1060 N THR A 75 -12.757 7.637 -3.571 1.00 0.00 N ATOM 1061 CA THR A 75 -13.451 7.989 -4.845 1.00 0.00 C ATOM 1062 C THR A 75 -13.298 6.841 -5.859 1.00 0.00 C ATOM 1063 O THR A 75 -13.847 6.892 -6.944 1.00 0.00 O ATOM 1064 CB THR A 75 -12.805 9.256 -5.429 1.00 0.00 C ATOM 1065 OG1 THR A 75 -12.531 10.170 -4.377 1.00 0.00 O ATOM 1066 CG2 THR A 75 -13.755 9.911 -6.438 1.00 0.00 C ATOM 0 H THR A 75 -11.740 7.709 -3.603 1.00 0.00 H new ATOM 0 HA THR A 75 -14.509 8.158 -4.646 1.00 0.00 H new ATOM 0 HB THR A 75 -11.878 8.986 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.658 9.963 -3.982 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.290 10.808 -6.847 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.966 9.211 -7.246 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.686 10.181 -5.939 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.541 5.817 -5.530 1.00 0.00 N ATOM 1075 CA ALA A 76 -12.332 4.681 -6.490 1.00 0.00 C ATOM 1076 C ALA A 76 -13.091 3.424 -6.022 1.00 0.00 C ATOM 1077 O ALA A 76 -13.624 3.370 -4.929 1.00 0.00 O ATOM 1078 CB ALA A 76 -10.829 4.379 -6.542 1.00 0.00 C ATOM 0 H ALA A 76 -12.058 5.719 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.709 4.958 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.647 3.556 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.292 5.264 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.479 4.102 -5.548 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.141 2.419 -6.868 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.856 1.145 -6.529 1.00 0.00 C ATOM 1086 C GLU A 77 -13.210 0.491 -5.308 1.00 0.00 C ATOM 1087 O GLU A 77 -12.136 -0.048 -5.377 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.771 0.229 -7.796 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.179 -1.174 -7.520 1.00 0.00 C ATOM 1090 CD GLU A 77 -13.438 -2.079 -8.722 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -14.591 -2.384 -8.974 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -12.475 -2.453 -9.375 1.00 0.00 O ATOM 0 H GLU A 77 -12.710 2.429 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.900 1.324 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.770 0.114 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.163 0.727 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.108 -1.098 -7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.630 -1.602 -6.625 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.846 0.514 -4.173 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.214 -0.130 -2.995 1.00 0.00 C ATOM 1101 C LEU A 78 -13.195 -1.636 -3.166 1.00 0.00 C ATOM 1102 O LEU A 78 -13.916 -2.208 -3.958 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.971 0.249 -1.711 1.00 0.00 C ATOM 1104 CG LEU A 78 -13.002 0.184 -0.510 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.997 1.360 -0.578 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.792 0.221 0.807 1.00 0.00 C ATOM 0 H LEU A 78 -14.758 0.942 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.187 0.225 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.388 1.252 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.809 -0.431 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.444 -0.751 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.317 1.307 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.425 1.297 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.540 2.305 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.100 0.175 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.367 1.146 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.471 -0.631 0.848 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.332 -2.263 -2.429 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.166 -3.729 -2.502 1.00 0.00 C ATOM 1120 C LYS A 79 -12.385 -4.302 -1.099 1.00 0.00 C ATOM 1121 O LYS A 79 -12.167 -3.622 -0.113 1.00 0.00 O ATOM 1122 CB LYS A 79 -10.719 -3.974 -2.944 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.589 -3.960 -4.471 1.00 0.00 C ATOM 1124 CD LYS A 79 -11.085 -5.284 -5.067 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.657 -5.373 -6.530 1.00 0.00 C ATOM 1126 NZ LYS A 79 -9.173 -5.277 -6.622 1.00 0.00 N ATOM 0 H LYS A 79 -11.716 -1.803 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.868 -4.196 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.072 -3.209 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.377 -4.934 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.165 -3.131 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.549 -3.796 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.677 -6.124 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.170 -5.346 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.998 -6.313 -6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.120 -4.571 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.839 -5.828 -7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.896 -4.281 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.746 -5.655 -5.752 1.00 0.00 H new ATOM 1140 N PRO A 80 -12.791 -5.541 -0.987 1.00 0.00 N ATOM 1141 CA PRO A 80 -13.005 -6.171 0.340 1.00 0.00 C ATOM 1142 C PRO A 80 -11.711 -6.126 1.156 1.00 0.00 C ATOM 1143 O PRO A 80 -11.723 -6.180 2.366 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.420 -7.622 0.016 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.043 -7.839 -1.419 1.00 0.00 C ATOM 1146 CD PRO A 80 -13.085 -6.465 -2.092 1.00 0.00 C ATOM 0 HA PRO A 80 -13.760 -5.661 0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.908 -8.331 0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -14.490 -7.766 0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.049 -8.279 -1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.735 -8.529 -1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.348 -6.385 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.060 -6.264 -2.537 1.00 0.00 H new ATOM 1154 N ASN A 81 -10.594 -6.028 0.476 1.00 0.00 N ATOM 1155 CA ASN A 81 -9.266 -5.977 1.162 1.00 0.00 C ATOM 1156 C ASN A 81 -8.580 -4.629 0.873 1.00 0.00 C ATOM 1157 O ASN A 81 -7.368 -4.539 0.889 1.00 0.00 O ATOM 1158 CB ASN A 81 -8.388 -7.145 0.652 1.00 0.00 C ATOM 1159 CG ASN A 81 -7.541 -6.714 -0.558 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -6.420 -6.277 -0.401 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -8.035 -6.813 -1.758 1.00 0.00 N ATOM 0 H ASN A 81 -10.547 -5.981 -0.542 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.404 -6.073 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.734 -7.489 1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.022 -7.987 0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.480 -6.524 -2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.977 -7.180 -1.893 1.00 0.00 H new ATOM 1168 N SER A 82 -9.319 -3.577 0.622 1.00 0.00 N ATOM 1169 CA SER A 82 -8.669 -2.267 0.353 1.00 0.00 C ATOM 1170 C SER A 82 -7.801 -1.873 1.551 1.00 0.00 C ATOM 1171 O SER A 82 -7.899 -2.443 2.619 1.00 0.00 O ATOM 1172 CB SER A 82 -9.746 -1.203 0.162 1.00 0.00 C ATOM 1173 OG SER A 82 -10.250 -1.284 -1.155 1.00 0.00 O ATOM 0 H SER A 82 -10.339 -3.573 0.593 1.00 0.00 H new ATOM 0 HA SER A 82 -8.053 -2.346 -0.543 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.551 -1.350 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.331 -0.212 0.345 1.00 0.00 H new ATOM 0 HG SER A 82 -9.506 -1.264 -1.792 1.00 0.00 H new ATOM 1179 N ARG A 83 -6.960 -0.897 1.380 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.104 -0.473 2.517 1.00 0.00 C ATOM 1181 C ARG A 83 -5.326 0.798 2.181 1.00 0.00 C ATOM 1182 O ARG A 83 -5.004 1.078 1.047 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.121 -1.614 2.886 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.316 -2.045 4.360 1.00 0.00 C ATOM 1185 CD ARG A 83 -4.541 -3.344 4.634 1.00 0.00 C ATOM 1186 NE ARG A 83 -3.968 -3.304 6.002 1.00 0.00 N ATOM 1187 CZ ARG A 83 -3.302 -4.329 6.447 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -3.214 -5.408 5.714 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -2.725 -4.275 7.609 1.00 0.00 N ATOM 0 H ARG A 83 -6.828 -0.379 0.511 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.750 -0.257 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.282 -2.467 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.095 -1.281 2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.968 -1.256 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.376 -2.193 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.204 -4.203 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.745 -3.466 3.899 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.095 -2.479 6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.666 -5.442 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.694 -6.216 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.794 -3.428 8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.203 -5.079 7.957 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.994 1.537 3.202 1.00 0.00 N ATOM 1204 CA LEU A 84 -4.197 2.775 3.028 1.00 0.00 C ATOM 1205 C LEU A 84 -2.726 2.328 2.967 1.00 0.00 C ATOM 1206 O LEU A 84 -2.282 1.547 3.782 1.00 0.00 O ATOM 1207 CB LEU A 84 -4.457 3.751 4.215 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.498 3.151 5.185 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -4.866 1.997 5.994 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.996 4.237 6.153 1.00 0.00 C ATOM 0 H LEU A 84 -5.248 1.328 4.167 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.469 3.315 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.525 3.945 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.813 4.709 3.836 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.337 2.767 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.608 1.581 6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.523 1.219 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.020 2.375 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.730 3.808 6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.155 4.628 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.457 5.046 5.586 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.987 2.751 1.977 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.578 2.267 1.858 1.00 0.00 C ATOM 1224 C CYS A 85 0.362 2.929 2.879 1.00 0.00 C ATOM 1225 O CYS A 85 1.514 2.552 2.966 1.00 0.00 O ATOM 1226 CB CYS A 85 -0.065 2.527 0.426 1.00 0.00 C ATOM 1227 SG CYS A 85 0.978 1.146 -0.107 1.00 0.00 S ATOM 0 H CYS A 85 -2.291 3.402 1.253 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.579 1.198 2.071 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.907 2.645 -0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.502 3.457 0.396 1.00 0.00 H new ATOM 0 HG CYS A 85 1.764 1.540 -1.065 1.00 0.00 H new ATOM 1233 N CYS A 86 -0.074 3.893 3.642 1.00 0.00 N ATOM 1234 CA CYS A 86 0.878 4.516 4.617 1.00 0.00 C ATOM 1235 C CYS A 86 0.846 3.774 5.954 1.00 0.00 C ATOM 1236 O CYS A 86 1.850 3.676 6.629 1.00 0.00 O ATOM 1237 CB CYS A 86 0.516 5.975 4.846 1.00 0.00 C ATOM 1238 SG CYS A 86 -1.153 6.090 5.515 1.00 0.00 S ATOM 0 H CYS A 86 -1.021 4.272 3.639 1.00 0.00 H new ATOM 0 HA CYS A 86 1.882 4.450 4.197 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.226 6.432 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.581 6.527 3.908 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.287 3.258 6.354 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.347 2.537 7.672 1.00 0.00 C ATOM 1245 C GLN A 87 -0.096 1.033 7.474 1.00 0.00 C ATOM 1246 O GLN A 87 -0.834 0.211 7.982 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.728 2.750 8.315 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.605 2.667 9.842 1.00 0.00 C ATOM 1249 CD GLN A 87 -2.984 2.451 10.472 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -3.527 1.367 10.407 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -3.573 3.440 11.084 1.00 0.00 N ATOM 0 H GLN A 87 -1.165 3.300 5.837 1.00 0.00 H new ATOM 0 HA GLN A 87 0.427 2.938 8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.129 3.721 8.025 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.428 1.996 7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.939 1.849 10.117 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.160 3.584 10.229 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.116 4.350 11.138 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.490 3.303 11.508 1.00 0.00 H new ATOM 1260 N ILE A 88 0.948 0.668 6.765 1.00 0.00 N ATOM 1261 CA ILE A 88 1.267 -0.785 6.567 1.00 0.00 C ATOM 1262 C ILE A 88 2.751 -1.003 6.897 1.00 0.00 C ATOM 1263 O ILE A 88 3.538 -0.087 6.836 1.00 0.00 O ATOM 1264 CB ILE A 88 0.951 -1.194 5.114 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -0.500 -0.808 4.806 1.00 0.00 C ATOM 1266 CG2 ILE A 88 1.122 -2.705 4.969 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -0.884 -1.292 3.406 1.00 0.00 C ATOM 0 H ILE A 88 1.595 1.315 6.314 1.00 0.00 H new ATOM 0 HA ILE A 88 0.660 -1.406 7.226 1.00 0.00 H new ATOM 0 HB ILE A 88 1.625 -0.689 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.167 -1.248 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.619 0.274 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.900 -3.000 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.149 -2.980 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.440 -3.215 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.917 -1.014 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.226 -0.832 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.783 -2.376 3.355 1.00 0.00 H new ATOM 1279 N ILE A 89 3.127 -2.201 7.291 1.00 0.00 N ATOM 1280 CA ILE A 89 4.557 -2.488 7.666 1.00 0.00 C ATOM 1281 C ILE A 89 5.047 -3.728 6.918 1.00 0.00 C ATOM 1282 O ILE A 89 4.413 -4.763 6.941 1.00 0.00 O ATOM 1283 CB ILE A 89 4.626 -2.772 9.173 1.00 0.00 C ATOM 1284 CG1 ILE A 89 4.247 -1.512 9.978 1.00 0.00 C ATOM 1285 CG2 ILE A 89 6.037 -3.236 9.566 1.00 0.00 C ATOM 1286 CD1 ILE A 89 5.165 -0.329 9.629 1.00 0.00 C ATOM 0 H ILE A 89 2.499 -3.001 7.370 1.00 0.00 H new ATOM 0 HA ILE A 89 5.179 -1.631 7.407 1.00 0.00 H new ATOM 0 HB ILE A 89 3.915 -3.565 9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.211 -1.244 9.772 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.315 -1.725 11.045 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.070 -3.433 10.637 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.285 -4.147 9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.758 -2.457 9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.872 0.544 10.213 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.198 -0.590 9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.077 -0.101 8.567 1.00 0.00 H new ATOM 1298 N MET A 90 6.165 -3.638 6.239 1.00 0.00 N ATOM 1299 CA MET A 90 6.662 -4.822 5.487 1.00 0.00 C ATOM 1300 C MET A 90 7.550 -5.674 6.381 1.00 0.00 C ATOM 1301 O MET A 90 8.041 -5.225 7.395 1.00 0.00 O ATOM 1302 CB MET A 90 7.450 -4.366 4.251 1.00 0.00 C ATOM 1303 CG MET A 90 7.472 -5.498 3.216 1.00 0.00 C ATOM 1304 SD MET A 90 5.791 -5.768 2.579 1.00 0.00 S ATOM 1305 CE MET A 90 5.501 -7.447 3.209 1.00 0.00 C ATOM 0 H MET A 90 6.747 -2.803 6.176 1.00 0.00 H new ATOM 0 HA MET A 90 5.808 -5.418 5.165 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.992 -3.475 3.822 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.468 -4.097 4.534 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.146 -5.244 2.398 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.852 -6.413 3.670 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.814 -7.971 2.545 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.447 -7.987 3.253 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.068 -7.391 4.208 1.00 0.00 H new ATOM 1315 N THR A 91 7.751 -6.906 6.011 1.00 0.00 N ATOM 1316 CA THR A 91 8.612 -7.825 6.810 1.00 0.00 C ATOM 1317 C THR A 91 9.228 -8.849 5.853 1.00 0.00 C ATOM 1318 O THR A 91 8.631 -9.191 4.859 1.00 0.00 O ATOM 1319 CB THR A 91 7.761 -8.553 7.854 1.00 0.00 C ATOM 1320 OG1 THR A 91 6.593 -9.068 7.233 1.00 0.00 O ATOM 1321 CG2 THR A 91 7.366 -7.587 8.967 1.00 0.00 C ATOM 0 H THR A 91 7.348 -7.324 5.173 1.00 0.00 H new ATOM 0 HA THR A 91 9.392 -7.261 7.321 1.00 0.00 H new ATOM 0 HB THR A 91 8.339 -9.372 8.282 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.912 -9.246 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.761 -8.112 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.264 -7.196 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.791 -6.763 8.546 1.00 0.00 H new ATOM 1329 N PRO A 92 10.409 -9.338 6.142 1.00 0.00 N ATOM 1330 CA PRO A 92 11.085 -10.329 5.253 1.00 0.00 C ATOM 1331 C PRO A 92 10.237 -11.594 5.063 1.00 0.00 C ATOM 1332 O PRO A 92 10.167 -12.143 3.977 1.00 0.00 O ATOM 1333 CB PRO A 92 12.410 -10.643 5.984 1.00 0.00 C ATOM 1334 CG PRO A 92 12.215 -10.182 7.389 1.00 0.00 C ATOM 1335 CD PRO A 92 11.230 -9.020 7.328 1.00 0.00 C ATOM 0 HA PRO A 92 11.243 -9.941 4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 92 12.633 -11.709 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 92 13.248 -10.127 5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 92 11.827 -10.988 8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.161 -9.867 7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.625 -8.957 8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.741 -8.063 7.220 1.00 0.00 H new ATOM 1343 N GLU A 93 9.594 -12.058 6.094 1.00 0.00 N ATOM 1344 CA GLU A 93 8.755 -13.282 5.956 1.00 0.00 C ATOM 1345 C GLU A 93 7.603 -12.986 4.990 1.00 0.00 C ATOM 1346 O GLU A 93 7.049 -13.872 4.370 1.00 0.00 O ATOM 1347 CB GLU A 93 8.200 -13.682 7.332 1.00 0.00 C ATOM 1348 CG GLU A 93 7.940 -12.426 8.167 1.00 0.00 C ATOM 1349 CD GLU A 93 7.027 -12.769 9.342 1.00 0.00 C ATOM 1350 OE1 GLU A 93 7.509 -13.377 10.288 1.00 0.00 O ATOM 1351 OE2 GLU A 93 5.861 -12.416 9.281 1.00 0.00 O ATOM 0 H GLU A 93 9.611 -11.645 7.026 1.00 0.00 H new ATOM 0 HA GLU A 93 9.355 -14.104 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.277 -14.248 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.908 -14.332 7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.883 -12.019 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.479 -11.656 7.549 1.00 0.00 H new ATOM 1358 N LEU A 94 7.237 -11.739 4.869 1.00 0.00 N ATOM 1359 CA LEU A 94 6.118 -11.346 3.962 1.00 0.00 C ATOM 1360 C LEU A 94 6.687 -10.816 2.647 1.00 0.00 C ATOM 1361 O LEU A 94 6.049 -10.064 1.933 1.00 0.00 O ATOM 1362 CB LEU A 94 5.264 -10.271 4.675 1.00 0.00 C ATOM 1363 CG LEU A 94 4.543 -10.852 5.914 1.00 0.00 C ATOM 1364 CD1 LEU A 94 3.406 -9.915 6.328 1.00 0.00 C ATOM 1365 CD2 LEU A 94 3.945 -12.241 5.642 1.00 0.00 C ATOM 0 H LEU A 94 7.672 -10.963 5.368 1.00 0.00 H new ATOM 0 HA LEU A 94 5.489 -12.206 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.902 -9.441 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.528 -9.869 3.979 1.00 0.00 H new ATOM 0 HG LEU A 94 5.287 -10.946 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.897 -10.324 7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.814 -8.934 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.696 -9.819 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.450 -12.606 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.220 -12.173 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.741 -12.931 5.360 1.00 0.00 H new ATOM 1377 N ASP A 95 7.884 -11.210 2.313 1.00 0.00 N ATOM 1378 CA ASP A 95 8.495 -10.747 1.038 1.00 0.00 C ATOM 1379 C ASP A 95 7.707 -11.311 -0.143 1.00 0.00 C ATOM 1380 O ASP A 95 7.285 -12.451 -0.143 1.00 0.00 O ATOM 1381 CB ASP A 95 9.944 -11.241 0.964 1.00 0.00 C ATOM 1382 CG ASP A 95 9.975 -12.764 1.105 1.00 0.00 C ATOM 1383 OD1 ASP A 95 9.261 -13.271 1.953 1.00 0.00 O ATOM 1384 OD2 ASP A 95 10.713 -13.395 0.371 1.00 0.00 O ATOM 0 H ASP A 95 8.467 -11.835 2.870 1.00 0.00 H new ATOM 0 HA ASP A 95 8.474 -9.658 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.392 -10.944 0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.537 -10.780 1.754 1.00 0.00 H new ATOM 1389 N GLY A 96 7.531 -10.514 -1.163 1.00 0.00 N ATOM 1390 CA GLY A 96 6.798 -10.973 -2.396 1.00 0.00 C ATOM 1391 C GLY A 96 5.420 -10.321 -2.437 1.00 0.00 C ATOM 1392 O GLY A 96 4.578 -10.664 -3.245 1.00 0.00 O ATOM 0 H GLY A 96 7.865 -9.551 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.364 -10.709 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.699 -12.058 -2.391 1.00 0.00 H new ATOM 1396 N ILE A 97 5.180 -9.411 -1.550 1.00 0.00 N ATOM 1397 CA ILE A 97 3.847 -8.739 -1.481 1.00 0.00 C ATOM 1398 C ILE A 97 3.562 -7.984 -2.786 1.00 0.00 C ATOM 1399 O ILE A 97 4.358 -7.186 -3.244 1.00 0.00 O ATOM 1400 CB ILE A 97 3.865 -7.770 -0.273 1.00 0.00 C ATOM 1401 CG1 ILE A 97 2.831 -6.621 -0.421 1.00 0.00 C ATOM 1402 CG2 ILE A 97 5.272 -7.150 -0.144 1.00 0.00 C ATOM 1403 CD1 ILE A 97 1.397 -7.149 -0.451 1.00 0.00 C ATOM 0 H ILE A 97 5.855 -9.093 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 97 3.055 -9.476 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 97 3.603 -8.348 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.944 -5.922 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.033 -6.066 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.292 -6.466 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.006 -7.941 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.514 -6.604 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.704 -6.314 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.277 -7.828 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.186 -7.682 0.476 1.00 0.00 H new ATOM 1415 N VAL A 98 2.424 -8.231 -3.388 1.00 0.00 N ATOM 1416 CA VAL A 98 2.066 -7.532 -4.658 1.00 0.00 C ATOM 1417 C VAL A 98 1.033 -6.436 -4.372 1.00 0.00 C ATOM 1418 O VAL A 98 -0.072 -6.715 -3.951 1.00 0.00 O ATOM 1419 CB VAL A 98 1.462 -8.552 -5.621 1.00 0.00 C ATOM 1420 CG1 VAL A 98 1.477 -7.992 -7.052 1.00 0.00 C ATOM 1421 CG2 VAL A 98 2.279 -9.846 -5.570 1.00 0.00 C ATOM 0 H VAL A 98 1.724 -8.892 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 98 2.957 -7.080 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 98 0.432 -8.757 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.045 -8.724 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.893 -7.073 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.504 -7.781 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.849 -10.575 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.309 -9.638 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.261 -10.248 -4.557 1.00 0.00 H new ATOM 1431 N VAL A 99 1.380 -5.191 -4.577 1.00 0.00 N ATOM 1432 CA VAL A 99 0.427 -4.073 -4.311 1.00 0.00 C ATOM 1433 C VAL A 99 -0.175 -3.579 -5.628 1.00 0.00 C ATOM 1434 O VAL A 99 0.519 -3.379 -6.603 1.00 0.00 O ATOM 1435 CB VAL A 99 1.209 -2.917 -3.677 1.00 0.00 C ATOM 1436 CG1 VAL A 99 0.252 -1.984 -2.935 1.00 0.00 C ATOM 1437 CG2 VAL A 99 2.247 -3.475 -2.707 1.00 0.00 C ATOM 0 H VAL A 99 2.294 -4.899 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.369 -4.419 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 99 1.714 -2.353 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.816 -1.165 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.479 -1.581 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.264 -2.540 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.803 -2.653 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.745 -4.045 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.935 -4.126 -3.246 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.459 -3.386 -5.645 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.145 -2.909 -6.891 1.00 0.00 C ATOM 1449 C ASP A 100 -2.584 -1.453 -6.685 1.00 0.00 C ATOM 1450 O ASP A 100 -3.293 -1.123 -5.759 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.351 -3.826 -7.170 1.00 0.00 C ATOM 1452 CG ASP A 100 -2.992 -4.876 -8.236 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.373 -5.864 -7.874 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.339 -4.668 -9.381 1.00 0.00 O ATOM 0 H ASP A 100 -2.076 -3.537 -4.847 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.475 -2.948 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.658 -4.323 -6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.198 -3.230 -7.509 1.00 0.00 H new ATOM 1459 N VAL A 101 -2.142 -0.584 -7.563 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.487 0.870 -7.468 1.00 0.00 C ATOM 1461 C VAL A 101 -3.385 1.263 -8.653 1.00 0.00 C ATOM 1462 O VAL A 101 -3.028 1.026 -9.789 1.00 0.00 O ATOM 1463 CB VAL A 101 -1.194 1.684 -7.529 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -1.477 3.135 -7.138 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.170 1.085 -6.568 1.00 0.00 C ATOM 0 H VAL A 101 -1.546 -0.826 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.013 1.066 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.799 1.657 -8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.553 3.711 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.205 3.562 -7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.876 3.167 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.752 1.665 -6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.566 1.108 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.037 0.053 -6.853 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.539 1.858 -8.424 1.00 0.00 N ATOM 1476 CA PRO A 102 -5.468 2.271 -9.519 1.00 0.00 C ATOM 1477 C PRO A 102 -5.121 3.644 -10.116 1.00 0.00 C ATOM 1478 O PRO A 102 -4.215 4.321 -9.672 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.812 2.344 -8.798 1.00 0.00 C ATOM 1480 CG PRO A 102 -6.466 2.824 -7.440 1.00 0.00 C ATOM 1481 CD PRO A 102 -5.105 2.205 -7.097 1.00 0.00 C ATOM 0 HA PRO A 102 -5.434 1.583 -10.364 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.497 3.027 -9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.300 1.370 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.416 3.913 -7.414 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.223 2.522 -6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.468 2.908 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.213 1.324 -6.464 1.00 0.00 H new ATOM 1489 N ASP A 103 -5.866 4.059 -11.108 1.00 0.00 N ATOM 1490 CA ASP A 103 -5.620 5.392 -11.725 1.00 0.00 C ATOM 1491 C ASP A 103 -6.340 6.455 -10.899 1.00 0.00 C ATOM 1492 O ASP A 103 -6.048 7.632 -10.980 1.00 0.00 O ATOM 1493 CB ASP A 103 -6.165 5.401 -13.164 1.00 0.00 C ATOM 1494 CG ASP A 103 -5.794 4.091 -13.860 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -6.289 3.058 -13.433 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -5.022 4.141 -14.797 1.00 0.00 O ATOM 0 H ASP A 103 -6.636 3.529 -11.517 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.550 5.600 -11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.248 5.525 -13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.753 6.247 -13.715 1.00 0.00 H new ATOM 1501 N ARG A 104 -7.283 6.035 -10.096 1.00 0.00 N ATOM 1502 CA ARG A 104 -8.047 6.977 -9.231 1.00 0.00 C ATOM 1503 C ARG A 104 -7.580 6.758 -7.795 1.00 0.00 C ATOM 1504 O ARG A 104 -8.203 6.039 -7.041 1.00 0.00 O ATOM 1505 CB ARG A 104 -9.541 6.635 -9.335 1.00 0.00 C ATOM 1506 CG ARG A 104 -10.164 7.292 -10.574 1.00 0.00 C ATOM 1507 CD ARG A 104 -10.481 8.775 -10.315 1.00 0.00 C ATOM 1508 NE ARG A 104 -9.298 9.603 -10.665 1.00 0.00 N ATOM 1509 CZ ARG A 104 -9.379 10.906 -10.619 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -10.449 11.475 -10.135 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -8.384 11.641 -11.032 1.00 0.00 N ATOM 0 H ARG A 104 -7.560 5.058 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.888 8.012 -9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.669 5.554 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.060 6.974 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.480 7.205 -11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.077 6.764 -10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.342 9.083 -10.908 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.746 8.924 -9.268 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.424 9.155 -10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.221 10.902 -9.793 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.513 12.492 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.539 11.199 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.451 12.658 -10.994 1.00 0.00 H new ATOM 1525 N GLN A 105 -6.493 7.362 -7.400 1.00 0.00 N ATOM 1526 CA GLN A 105 -6.011 7.158 -6.004 1.00 0.00 C ATOM 1527 C GLN A 105 -6.740 8.137 -5.080 1.00 0.00 C ATOM 1528 O GLN A 105 -7.008 7.849 -3.931 1.00 0.00 O ATOM 1529 CB GLN A 105 -4.497 7.404 -5.929 1.00 0.00 C ATOM 1530 CG GLN A 105 -4.117 8.622 -6.792 1.00 0.00 C ATOM 1531 CD GLN A 105 -3.979 8.207 -8.260 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -3.211 7.322 -8.584 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -4.695 8.812 -9.162 1.00 0.00 N ATOM 0 H GLN A 105 -5.923 7.981 -7.976 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.215 6.133 -5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.199 7.574 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.959 6.521 -6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.877 9.397 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.179 9.050 -6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.339 9.554 -8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.613 8.544 -10.143 1.00 0.00 H new ATOM 1542 N TRP A 106 -7.083 9.286 -5.582 1.00 0.00 N ATOM 1543 CA TRP A 106 -7.817 10.276 -4.754 1.00 0.00 C ATOM 1544 C TRP A 106 -7.162 10.399 -3.374 1.00 0.00 C ATOM 1545 O TRP A 106 -6.271 11.220 -3.234 1.00 0.00 O ATOM 1546 CB TRP A 106 -9.255 9.785 -4.619 1.00 0.00 C ATOM 1547 CG TRP A 106 -10.004 10.619 -3.638 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -10.526 10.159 -2.483 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -10.333 12.034 -3.712 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -11.171 11.202 -1.837 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -11.075 12.377 -2.560 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -10.069 13.044 -4.650 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -11.539 13.676 -2.348 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -10.533 14.353 -4.443 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -11.266 14.668 -3.292 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.564 9.670 -2.483 1.00 0.00 O ATOM 0 H TRP A 106 -6.885 9.584 -6.537 1.00 0.00 H new ATOM 0 HA TRP A 106 -7.794 11.260 -5.221 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -9.750 9.822 -5.589 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -9.261 8.743 -4.298 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -10.453 9.144 -2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.654 11.114 -0.943 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -9.503 12.812 -5.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -12.106 13.912 -1.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -10.324 15.120 -5.174 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -11.619 15.676 -3.135 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -2.908 9.373 4.030 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -2.285 6.685 3.742 1.00 0.00 FE HETATM 1570 S1 FES A 107 -4.039 7.604 4.723 1.00 0.00 S HETATM 1571 S2 FES A 107 -1.318 8.441 2.823 1.00 0.00 S