USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 791 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 84 HIS : no HD1:sc= -4.91! C(o=-6.1!,f=-7.8!) USER MOD Set 1.2: A 86 THR OG1 : rot 90:sc= -1.2 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 24 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.4!) USER MOD Set 3.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 156:sc= 1.17 USER MOD Set 4.2: A 21 ASN : amide:sc= -0.537 X(o=0.63,f=1.1) USER MOD Single : A 1 ILE N :NH3+ 170:sc= -0.15 (180deg=-0.286) USER MOD Single : A 2 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.2!) USER MOD Single : A 4 THR OG1 : rot 6:sc= 0.667 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0107 (180deg=-0.151) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 10 TYR OH : rot 78:sc= 0.768 USER MOD Single : A 13 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.091) USER MOD Single : A 17 ASN : amide:sc= -4.33! C(o=-4.3!,f=-8.6!) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.214 (180deg=-0.895) USER MOD Single : A 28 SER OG : rot 140:sc= -0.924 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -101:sc= 0.423 (180deg=-1.67!) USER MOD Single : A 42 ASN : amide:sc= -0.0023 X(o=-0.0023,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc=-0.00758 F(o=-0.52,f=-0.0076) USER MOD Single : A 52 SER OG : rot 180:sc= 0.381 USER MOD Single : A 55 SER OG : rot 61:sc= 1.98 USER MOD Single : A 57 SER OG : rot -71:sc= 0.56 USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= 0.386 (180deg=0.139) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 150:sc= -0.462 USER MOD Single : A 66 TYR OH : rot -109:sc= 1.29 USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -104:sc= -0.0358! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.643 K(o=-0.64,f=-2.8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= -0.0356 (180deg=-0.263) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= -0.864! (180deg=-1.26!) USER MOD Single : A 99 MET CE :methyl -153:sc= -0.28 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -20.615 -10.606 -2.875 1.00 0.00 N ATOM 2 CA ILE A 1 -21.338 -9.320 -3.036 1.00 0.00 C ATOM 3 C ILE A 1 -20.506 -8.150 -2.518 1.00 0.00 C ATOM 4 O ILE A 1 -20.566 -7.796 -1.340 1.00 0.00 O ATOM 5 CB ILE A 1 -22.715 -9.335 -2.324 1.00 0.00 C ATOM 6 CG1 ILE A 1 -22.602 -9.886 -0.890 1.00 0.00 C ATOM 7 CG2 ILE A 1 -23.714 -10.148 -3.134 1.00 0.00 C ATOM 8 CD1 ILE A 1 -23.925 -9.939 -0.156 1.00 0.00 C ATOM 0 H1 ILE A 1 -21.262 -11.395 -3.075 1.00 0.00 H new ATOM 0 H2 ILE A 1 -19.814 -10.639 -3.537 1.00 0.00 H new ATOM 0 H3 ILE A 1 -20.262 -10.686 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.508 -9.191 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 1 -23.070 -8.307 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -22.176 -10.889 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -21.907 -9.265 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -24.678 -10.152 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -23.828 -9.704 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -23.353 -11.171 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -23.769 -10.337 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -24.343 -8.935 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -24.617 -10.583 -0.699 1.00 0.00 H new ATOM 19 N GLN A 2 -19.730 -7.561 -3.419 1.00 0.00 N ATOM 20 CA GLN A 2 -18.864 -6.430 -3.105 1.00 0.00 C ATOM 21 C GLN A 2 -18.072 -6.069 -4.354 1.00 0.00 C ATOM 22 O GLN A 2 -18.304 -6.625 -5.429 1.00 0.00 O ATOM 23 CB GLN A 2 -17.882 -6.778 -1.969 1.00 0.00 C ATOM 24 CG GLN A 2 -17.452 -5.585 -1.125 1.00 0.00 C ATOM 25 CD GLN A 2 -18.620 -4.909 -0.430 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.251 -4.016 -0.990 1.00 0.00 O ATOM 27 NE2 GLN A 2 -18.900 -5.314 0.798 1.00 0.00 N ATOM 0 H GLN A 2 -19.683 -7.856 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.481 -5.593 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -18.345 -7.520 -1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -16.995 -7.242 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.731 -5.915 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.943 -4.860 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.351 -6.059 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.665 -4.881 1.316 1.00 0.00 H new ATOM 36 N ARG A 3 -17.141 -5.154 -4.208 1.00 0.00 N ATOM 37 CA ARG A 3 -16.263 -4.778 -5.304 1.00 0.00 C ATOM 38 C ARG A 3 -14.821 -5.003 -4.896 1.00 0.00 C ATOM 39 O ARG A 3 -14.436 -4.685 -3.772 1.00 0.00 O ATOM 40 CB ARG A 3 -16.469 -3.320 -5.709 1.00 0.00 C ATOM 41 CG ARG A 3 -15.415 -2.840 -6.719 1.00 0.00 C ATOM 42 CD ARG A 3 -16.004 -1.991 -7.876 1.00 0.00 C ATOM 43 NE ARG A 3 -17.077 -2.706 -8.569 1.00 0.00 N ATOM 44 CZ ARG A 3 -18.091 -2.111 -9.198 1.00 0.00 C ATOM 45 NH1 ARG A 3 -18.124 -0.787 -9.320 1.00 0.00 N ATOM 46 NH2 ARG A 3 -19.062 -2.848 -9.724 1.00 0.00 N ATOM 0 H ARG A 3 -16.968 -4.651 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.505 -5.400 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.463 -3.202 -6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.431 -2.690 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.663 -2.251 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.905 -3.707 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -16.387 -1.050 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.214 -1.741 -8.585 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.047 -3.726 -8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.370 -0.220 -8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.903 -0.339 -9.802 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.030 -3.865 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -19.840 -2.398 -10.206 1.00 0.00 H new ATOM 60 N THR A 4 -14.032 -5.553 -5.807 1.00 0.00 N ATOM 61 CA THR A 4 -12.670 -5.937 -5.495 1.00 0.00 C ATOM 62 C THR A 4 -11.751 -4.714 -5.413 1.00 0.00 C ATOM 63 O THR A 4 -11.620 -3.966 -6.387 1.00 0.00 O ATOM 64 CB THR A 4 -12.112 -6.932 -6.542 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.874 -6.259 -7.783 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.077 -8.079 -6.792 1.00 0.00 C ATOM 0 H THR A 4 -14.315 -5.742 -6.768 1.00 0.00 H new ATOM 0 HA THR A 4 -12.694 -6.426 -4.521 1.00 0.00 H new ATOM 0 HB THR A 4 -11.181 -7.334 -6.143 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.029 -5.298 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.652 -8.757 -7.532 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.249 -8.619 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.023 -7.684 -7.162 1.00 0.00 H new ATOM 74 N PRO A 5 -11.118 -4.479 -4.250 1.00 0.00 N ATOM 75 CA PRO A 5 -10.133 -3.414 -4.099 1.00 0.00 C ATOM 76 C PRO A 5 -8.866 -3.727 -4.886 1.00 0.00 C ATOM 77 O PRO A 5 -8.299 -4.816 -4.761 1.00 0.00 O ATOM 78 CB PRO A 5 -9.834 -3.375 -2.591 1.00 0.00 C ATOM 79 CG PRO A 5 -10.866 -4.244 -1.944 1.00 0.00 C ATOM 80 CD PRO A 5 -11.316 -5.220 -2.998 1.00 0.00 C ATOM 0 HA PRO A 5 -10.500 -2.460 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.829 -3.742 -2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.887 -2.356 -2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.450 -4.766 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.704 -3.649 -1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.727 -6.137 -2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.358 -5.508 -2.861 1.00 0.00 H new ATOM 88 N LYS A 6 -8.431 -2.781 -5.699 1.00 0.00 N ATOM 89 CA LYS A 6 -7.269 -2.989 -6.544 1.00 0.00 C ATOM 90 C LYS A 6 -6.043 -2.359 -5.897 1.00 0.00 C ATOM 91 O LYS A 6 -6.159 -1.410 -5.121 1.00 0.00 O ATOM 92 CB LYS A 6 -7.519 -2.396 -7.938 1.00 0.00 C ATOM 93 CG LYS A 6 -6.352 -2.548 -8.906 1.00 0.00 C ATOM 94 CD LYS A 6 -6.659 -1.916 -10.256 1.00 0.00 C ATOM 95 CE LYS A 6 -7.711 -2.706 -11.020 1.00 0.00 C ATOM 96 NZ LYS A 6 -7.200 -4.031 -11.463 1.00 0.00 N ATOM 0 H LYS A 6 -8.864 -1.862 -5.792 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.090 -4.058 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.398 -2.874 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.752 -1.336 -7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.462 -2.084 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.126 -3.606 -9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.007 -0.894 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.745 -1.859 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.587 -2.848 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.034 -2.133 -11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.847 -4.434 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.256 -3.916 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.139 -4.671 -10.645 1.00 0.00 H new ATOM 110 N ILE A 7 -4.873 -2.892 -6.217 1.00 0.00 N ATOM 111 CA ILE A 7 -3.646 -2.482 -5.557 1.00 0.00 C ATOM 112 C ILE A 7 -2.881 -1.478 -6.403 1.00 0.00 C ATOM 113 O ILE A 7 -2.624 -1.714 -7.585 1.00 0.00 O ATOM 114 CB ILE A 7 -2.711 -3.677 -5.289 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.508 -4.950 -4.998 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.774 -3.359 -4.130 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.444 -4.827 -3.824 1.00 0.00 C ATOM 0 H ILE A 7 -4.749 -3.610 -6.931 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.946 -2.033 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.118 -3.853 -6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.084 -5.217 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.812 -5.768 -4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.118 -4.210 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.173 -2.484 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.360 -3.156 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.973 -5.769 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.873 -4.591 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.164 -4.031 -4.015 1.00 0.00 H new ATOM 129 N GLN A 8 -2.526 -0.363 -5.793 1.00 0.00 N ATOM 130 CA GLN A 8 -1.659 0.620 -6.438 1.00 0.00 C ATOM 131 C GLN A 8 -0.631 1.094 -5.398 1.00 0.00 C ATOM 132 O GLN A 8 -0.994 1.650 -4.359 1.00 0.00 O ATOM 133 CB GLN A 8 -2.485 1.825 -6.998 1.00 0.00 C ATOM 134 CG GLN A 8 -3.987 1.598 -6.909 1.00 0.00 C ATOM 135 CD GLN A 8 -4.801 2.849 -7.198 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.267 3.732 -8.028 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -5.904 3.020 -6.677 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.822 -0.110 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.152 0.166 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.224 2.727 -6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.209 1.998 -8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.272 0.816 -7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.234 1.234 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.283 2.317 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.439 3.865 -6.880 1.00 0.00 H new ATOM 146 N VAL A 9 0.643 0.853 -5.678 1.00 0.00 N ATOM 147 CA VAL A 9 1.717 1.146 -4.735 1.00 0.00 C ATOM 148 C VAL A 9 2.886 1.821 -5.441 1.00 0.00 C ATOM 149 O VAL A 9 3.340 1.368 -6.492 1.00 0.00 O ATOM 150 CB VAL A 9 2.197 -0.138 -3.984 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.207 -1.349 -4.900 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.581 0.055 -3.370 1.00 0.00 C ATOM 0 H VAL A 9 0.961 0.451 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 9 1.316 1.832 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 9 1.482 -0.315 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.546 -2.223 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.200 -1.527 -5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.882 -1.167 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.882 -0.858 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.300 0.282 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.551 0.879 -2.657 1.00 0.00 H new ATOM 162 N TYR A 10 3.357 2.913 -4.857 1.00 0.00 N ATOM 163 CA TYR A 10 4.442 3.696 -5.427 1.00 0.00 C ATOM 164 C TYR A 10 5.097 4.536 -4.335 1.00 0.00 C ATOM 165 O TYR A 10 4.571 4.641 -3.230 1.00 0.00 O ATOM 166 CB TYR A 10 3.929 4.587 -6.575 1.00 0.00 C ATOM 167 CG TYR A 10 2.886 5.619 -6.178 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.528 5.378 -6.367 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.260 6.845 -5.637 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.581 6.326 -6.028 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.318 7.794 -5.292 1.00 0.00 C ATOM 172 CZ TYR A 10 0.981 7.532 -5.491 1.00 0.00 C ATOM 173 OH TYR A 10 0.044 8.481 -5.153 1.00 0.00 O ATOM 0 H TYR A 10 2.998 3.280 -3.976 1.00 0.00 H new ATOM 0 HA TYR A 10 5.187 3.018 -5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.779 5.105 -7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.507 3.947 -7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.209 4.435 -6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.308 7.059 -5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.468 6.123 -6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.629 8.737 -4.868 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.370 8.242 -4.298 1.00 0.00 H new ATOM 183 N SER A 11 6.244 5.121 -4.640 1.00 0.00 N ATOM 184 CA SER A 11 6.949 5.945 -3.675 1.00 0.00 C ATOM 185 C SER A 11 6.476 7.385 -3.784 1.00 0.00 C ATOM 186 O SER A 11 6.223 7.879 -4.885 1.00 0.00 O ATOM 187 CB SER A 11 8.456 5.866 -3.909 1.00 0.00 C ATOM 188 OG SER A 11 9.160 6.545 -2.889 1.00 0.00 O ATOM 0 H SER A 11 6.705 5.040 -5.546 1.00 0.00 H new ATOM 0 HA SER A 11 6.735 5.575 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.769 4.822 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.701 6.301 -4.878 1.00 0.00 H new ATOM 0 HG SER A 11 10.069 6.185 -2.824 1.00 0.00 H new ATOM 194 N ARG A 12 6.333 8.045 -2.640 1.00 0.00 N ATOM 195 CA ARG A 12 5.850 9.426 -2.615 1.00 0.00 C ATOM 196 C ARG A 12 6.864 10.340 -3.301 1.00 0.00 C ATOM 197 O ARG A 12 6.514 11.099 -4.207 1.00 0.00 O ATOM 198 CB ARG A 12 5.597 9.859 -1.149 1.00 0.00 C ATOM 199 CG ARG A 12 4.699 11.092 -0.924 1.00 0.00 C ATOM 200 CD ARG A 12 5.294 12.395 -1.438 1.00 0.00 C ATOM 201 NE ARG A 12 4.858 12.720 -2.796 1.00 0.00 N ATOM 202 CZ ARG A 12 4.374 13.910 -3.154 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.145 14.839 -2.234 1.00 0.00 N ATOM 204 NH2 ARG A 12 4.088 14.156 -4.425 1.00 0.00 N ATOM 0 H ARG A 12 6.542 7.652 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 12 4.909 9.501 -3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.153 9.016 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.563 10.055 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.740 10.924 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.498 11.192 0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.013 13.207 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.382 12.326 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 12 4.928 11.995 -3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.339 14.643 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.775 15.749 -2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.238 13.435 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.718 15.067 -4.697 1.00 0.00 H new ATOM 218 N HIS A 13 8.117 10.244 -2.886 1.00 0.00 N ATOM 219 CA HIS A 13 9.180 11.074 -3.438 1.00 0.00 C ATOM 220 C HIS A 13 10.236 10.192 -4.128 1.00 0.00 C ATOM 221 O HIS A 13 10.093 8.970 -4.107 1.00 0.00 O ATOM 222 CB HIS A 13 9.810 11.931 -2.327 1.00 0.00 C ATOM 223 CG HIS A 13 9.076 13.211 -2.060 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.309 13.938 -0.921 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.138 13.848 -2.807 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.518 14.993 -0.997 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.789 14.984 -2.122 1.00 0.00 N ATOM 0 H HIS A 13 8.426 9.594 -2.163 1.00 0.00 H new ATOM 0 HA HIS A 13 8.760 11.745 -4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.848 11.347 -1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.839 12.163 -2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.743 13.523 -3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.465 15.767 -0.246 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.108 15.685 -2.412 1.00 0.00 H new ATOM 235 N PRO A 14 11.302 10.769 -4.755 1.00 0.00 N ATOM 236 CA PRO A 14 12.319 9.974 -5.464 1.00 0.00 C ATOM 237 C PRO A 14 12.863 8.816 -4.628 1.00 0.00 C ATOM 238 O PRO A 14 13.253 8.990 -3.467 1.00 0.00 O ATOM 239 CB PRO A 14 13.447 10.974 -5.774 1.00 0.00 C ATOM 240 CG PRO A 14 13.099 12.237 -5.028 1.00 0.00 C ATOM 241 CD PRO A 14 11.603 12.210 -4.843 1.00 0.00 C ATOM 0 HA PRO A 14 11.891 9.510 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.413 10.585 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.519 11.161 -6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.611 12.276 -4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.407 13.119 -5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.299 12.741 -3.941 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.085 12.680 -5.679 1.00 0.00 H new ATOM 249 N ALA A 15 12.895 7.638 -5.235 1.00 0.00 N ATOM 250 CA ALA A 15 13.330 6.432 -4.558 1.00 0.00 C ATOM 251 C ALA A 15 14.829 6.236 -4.727 1.00 0.00 C ATOM 252 O ALA A 15 15.325 6.123 -5.848 1.00 0.00 O ATOM 253 CB ALA A 15 12.581 5.228 -5.098 1.00 0.00 C ATOM 0 H ALA A 15 12.621 7.495 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 15 13.112 6.535 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.917 4.329 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.512 5.362 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.776 5.127 -6.166 1.00 0.00 H new ATOM 259 N GLU A 16 15.543 6.197 -3.619 1.00 0.00 N ATOM 260 CA GLU A 16 16.981 6.082 -3.647 1.00 0.00 C ATOM 261 C GLU A 16 17.453 4.962 -2.719 1.00 0.00 C ATOM 262 O GLU A 16 17.028 4.878 -1.567 1.00 0.00 O ATOM 263 CB GLU A 16 17.589 7.426 -3.246 1.00 0.00 C ATOM 264 CG GLU A 16 19.104 7.460 -3.280 1.00 0.00 C ATOM 265 CD GLU A 16 19.652 8.870 -3.238 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.020 9.776 -3.829 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.728 9.075 -2.644 1.00 0.00 O ATOM 0 H GLU A 16 15.143 6.244 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 16 17.310 5.825 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.205 8.199 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.254 7.677 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.496 6.896 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.455 6.964 -4.185 1.00 0.00 H new ATOM 274 N ASN A 17 18.317 4.100 -3.239 1.00 0.00 N ATOM 275 CA ASN A 17 18.865 2.983 -2.470 1.00 0.00 C ATOM 276 C ASN A 17 19.955 3.474 -1.529 1.00 0.00 C ATOM 277 O ASN A 17 20.863 4.200 -1.935 1.00 0.00 O ATOM 278 CB ASN A 17 19.382 1.889 -3.427 1.00 0.00 C ATOM 279 CG ASN A 17 20.499 1.009 -2.865 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.592 0.756 -1.662 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.350 0.516 -3.751 1.00 0.00 N ATOM 0 H ASN A 17 18.658 4.152 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 17 18.078 2.544 -1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.545 1.250 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.741 2.366 -4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.110 -0.092 -3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.246 0.744 -4.740 1.00 0.00 H new ATOM 288 N GLY A 18 19.843 3.081 -0.267 1.00 0.00 N ATOM 289 CA GLY A 18 20.761 3.551 0.749 1.00 0.00 C ATOM 290 C GLY A 18 20.345 4.914 1.242 1.00 0.00 C ATOM 291 O GLY A 18 21.132 5.650 1.842 1.00 0.00 O ATOM 0 H GLY A 18 19.126 2.440 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.784 2.847 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.771 3.597 0.342 1.00 0.00 H new ATOM 295 N LYS A 19 19.089 5.233 0.993 1.00 0.00 N ATOM 296 CA LYS A 19 18.549 6.545 1.280 1.00 0.00 C ATOM 297 C LYS A 19 17.155 6.403 1.859 1.00 0.00 C ATOM 298 O LYS A 19 16.403 5.505 1.477 1.00 0.00 O ATOM 299 CB LYS A 19 18.486 7.353 -0.012 1.00 0.00 C ATOM 300 CG LYS A 19 18.492 8.859 0.188 1.00 0.00 C ATOM 301 CD LYS A 19 19.880 9.373 0.537 1.00 0.00 C ATOM 302 CE LYS A 19 19.842 10.828 1.005 1.00 0.00 C ATOM 303 NZ LYS A 19 18.809 11.039 2.054 1.00 0.00 N ATOM 0 H LYS A 19 18.414 4.586 0.585 1.00 0.00 H new ATOM 0 HA LYS A 19 19.187 7.056 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.334 7.079 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.584 7.075 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.140 9.348 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.795 9.124 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.313 8.750 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.530 9.288 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.820 11.111 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.637 11.479 0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.117 11.795 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.910 11.310 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.676 10.159 2.592 1.00 0.00 H new ATOM 317 N SER A 20 16.819 7.274 2.789 1.00 0.00 N ATOM 318 CA SER A 20 15.500 7.269 3.377 1.00 0.00 C ATOM 319 C SER A 20 14.468 7.753 2.366 1.00 0.00 C ATOM 320 O SER A 20 14.710 8.696 1.610 1.00 0.00 O ATOM 321 CB SER A 20 15.485 8.138 4.622 1.00 0.00 C ATOM 322 OG SER A 20 16.326 7.595 5.628 1.00 0.00 O ATOM 0 H SER A 20 17.444 7.994 3.152 1.00 0.00 H new ATOM 0 HA SER A 20 15.242 6.249 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.815 9.146 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.466 8.221 5.000 1.00 0.00 H new ATOM 0 HG SER A 20 16.303 8.171 6.420 1.00 0.00 H new ATOM 328 N ASN A 21 13.326 7.096 2.358 1.00 0.00 N ATOM 329 CA ASN A 21 12.295 7.336 1.362 1.00 0.00 C ATOM 330 C ASN A 21 10.929 7.170 2.025 1.00 0.00 C ATOM 331 O ASN A 21 10.846 6.682 3.157 1.00 0.00 O ATOM 332 CB ASN A 21 12.485 6.318 0.215 1.00 0.00 C ATOM 333 CG ASN A 21 11.726 6.642 -1.064 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.401 5.733 -1.826 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.426 7.909 -1.322 1.00 0.00 N ATOM 0 H ASN A 21 13.084 6.379 3.042 1.00 0.00 H new ATOM 0 HA ASN A 21 12.362 8.345 0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.548 6.250 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.172 5.335 0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.913 8.149 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.708 8.643 -0.672 1.00 0.00 H new ATOM 342 N PHE A 22 9.863 7.572 1.342 1.00 0.00 N ATOM 343 CA PHE A 22 8.517 7.454 1.889 1.00 0.00 C ATOM 344 C PHE A 22 7.645 6.620 0.958 1.00 0.00 C ATOM 345 O PHE A 22 7.490 6.949 -0.221 1.00 0.00 O ATOM 346 CB PHE A 22 7.884 8.836 2.085 1.00 0.00 C ATOM 347 CG PHE A 22 8.459 9.645 3.215 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.752 10.143 3.155 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.692 9.923 4.335 1.00 0.00 C ATOM 350 CE1 PHE A 22 10.267 10.899 4.192 1.00 0.00 C ATOM 351 CE2 PHE A 22 8.201 10.676 5.375 1.00 0.00 C ATOM 352 CZ PHE A 22 9.490 11.164 5.304 1.00 0.00 C ATOM 0 H PHE A 22 9.905 7.982 0.409 1.00 0.00 H new ATOM 0 HA PHE A 22 8.587 6.962 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.993 9.403 1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.815 8.708 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.363 9.938 2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.682 9.546 4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.275 11.282 4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.591 10.883 6.242 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.891 11.752 6.116 1.00 0.00 H new ATOM 362 N LEU A 23 7.080 5.546 1.488 1.00 0.00 N ATOM 363 CA LEU A 23 6.246 4.648 0.696 1.00 0.00 C ATOM 364 C LEU A 23 4.815 5.122 0.731 1.00 0.00 C ATOM 365 O LEU A 23 4.381 5.714 1.709 1.00 0.00 O ATOM 366 CB LEU A 23 6.297 3.232 1.263 1.00 0.00 C ATOM 367 CG LEU A 23 6.571 2.086 0.269 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.503 0.746 0.989 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.593 2.093 -0.896 1.00 0.00 C ATOM 0 H LEU A 23 7.183 5.273 2.465 1.00 0.00 H new ATOM 0 HA LEU A 23 6.622 4.646 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.068 3.204 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.346 3.031 1.757 1.00 0.00 H new ATOM 0 HG LEU A 23 7.571 2.239 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.698 -0.058 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.251 0.720 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.511 0.616 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.824 1.268 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.577 1.979 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.676 3.037 -1.435 1.00 0.00 H new ATOM 381 N ASN A 24 4.094 4.840 -0.326 1.00 0.00 N ATOM 382 CA ASN A 24 2.679 5.152 -0.394 1.00 0.00 C ATOM 383 C ASN A 24 1.922 3.952 -0.946 1.00 0.00 C ATOM 384 O ASN A 24 2.228 3.463 -2.035 1.00 0.00 O ATOM 385 CB ASN A 24 2.408 6.391 -1.272 1.00 0.00 C ATOM 386 CG ASN A 24 2.637 7.715 -0.559 1.00 0.00 C ATOM 387 OD1 ASN A 24 3.512 7.848 0.288 1.00 0.00 O ATOM 388 ND2 ASN A 24 1.831 8.710 -0.898 1.00 0.00 N ATOM 0 H ASN A 24 4.465 4.390 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 24 2.334 5.380 0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.050 6.348 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.378 6.354 -1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.929 9.621 -0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.113 8.565 -1.607 1.00 0.00 H new ATOM 395 N CYS A 25 0.942 3.470 -0.200 1.00 0.00 N ATOM 396 CA CYS A 25 0.139 2.342 -0.639 1.00 0.00 C ATOM 397 C CYS A 25 -1.323 2.760 -0.629 1.00 0.00 C ATOM 398 O CYS A 25 -1.859 3.162 0.407 1.00 0.00 O ATOM 399 CB CYS A 25 0.381 1.135 0.263 1.00 0.00 C ATOM 400 SG CYS A 25 -0.099 -0.459 -0.475 1.00 0.00 S ATOM 0 H CYS A 25 0.683 3.843 0.713 1.00 0.00 H new ATOM 0 HA CYS A 25 0.420 2.049 -1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.439 1.097 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.172 1.273 1.192 1.00 0.00 H new ATOM 405 N TYR A 26 -1.955 2.684 -1.791 1.00 0.00 N ATOM 406 CA TYR A 26 -3.297 3.203 -1.969 1.00 0.00 C ATOM 407 C TYR A 26 -4.225 2.084 -2.408 1.00 0.00 C ATOM 408 O TYR A 26 -4.114 1.579 -3.526 1.00 0.00 O ATOM 409 CB TYR A 26 -3.321 4.315 -3.026 1.00 0.00 C ATOM 410 CG TYR A 26 -2.773 5.669 -2.596 1.00 0.00 C ATOM 411 CD1 TYR A 26 -1.410 5.957 -2.655 1.00 0.00 C ATOM 412 CD2 TYR A 26 -3.635 6.688 -2.195 1.00 0.00 C ATOM 413 CE1 TYR A 26 -0.931 7.210 -2.330 1.00 0.00 C ATOM 414 CE2 TYR A 26 -3.156 7.939 -1.859 1.00 0.00 C ATOM 415 CZ TYR A 26 -1.805 8.195 -1.933 1.00 0.00 C ATOM 416 OH TYR A 26 -1.326 9.445 -1.615 1.00 0.00 O ATOM 0 H TYR A 26 -1.553 2.264 -2.629 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.630 3.615 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.753 3.976 -3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.351 4.452 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.717 5.187 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.697 6.496 -2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.128 7.416 -2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.838 8.713 -1.540 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.072 10.025 -1.355 1.00 0.00 H new ATOM 426 N VAL A 27 -5.121 1.684 -1.530 1.00 0.00 N ATOM 427 CA VAL A 27 -6.102 0.672 -1.873 1.00 0.00 C ATOM 428 C VAL A 27 -7.495 1.288 -1.823 1.00 0.00 C ATOM 429 O VAL A 27 -7.950 1.717 -0.762 1.00 0.00 O ATOM 430 CB VAL A 27 -6.040 -0.547 -0.928 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.665 -1.755 -1.598 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.612 -0.857 -0.502 1.00 0.00 C ATOM 0 H VAL A 27 -5.192 2.041 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.877 0.316 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.605 -0.302 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.617 -2.610 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.706 -1.540 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.122 -1.984 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.610 -1.721 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.009 -1.075 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.193 0.003 0.020 1.00 0.00 H new ATOM 442 N SER A 28 -8.158 1.374 -2.970 1.00 0.00 N ATOM 443 CA SER A 28 -9.455 2.038 -3.039 1.00 0.00 C ATOM 444 C SER A 28 -10.370 1.412 -4.092 1.00 0.00 C ATOM 445 O SER A 28 -9.974 0.490 -4.809 1.00 0.00 O ATOM 446 CB SER A 28 -9.255 3.526 -3.334 1.00 0.00 C ATOM 447 OG SER A 28 -8.356 4.108 -2.402 1.00 0.00 O ATOM 0 H SER A 28 -7.824 0.997 -3.857 1.00 0.00 H new ATOM 0 HA SER A 28 -9.943 1.913 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.869 3.652 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.214 4.042 -3.292 1.00 0.00 H new ATOM 0 HG SER A 28 -7.763 4.735 -2.867 1.00 0.00 H new ATOM 453 N GLY A 29 -11.605 1.918 -4.161 1.00 0.00 N ATOM 454 CA GLY A 29 -12.576 1.429 -5.125 1.00 0.00 C ATOM 455 C GLY A 29 -13.464 0.353 -4.539 1.00 0.00 C ATOM 456 O GLY A 29 -14.085 -0.419 -5.266 1.00 0.00 O ATOM 0 H GLY A 29 -11.949 2.665 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.192 2.259 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.054 1.034 -5.997 1.00 0.00 H new ATOM 460 N PHE A 30 -13.523 0.306 -3.217 1.00 0.00 N ATOM 461 CA PHE A 30 -14.206 -0.776 -2.518 1.00 0.00 C ATOM 462 C PHE A 30 -15.284 -0.262 -1.558 1.00 0.00 C ATOM 463 O PHE A 30 -15.537 0.940 -1.468 1.00 0.00 O ATOM 464 CB PHE A 30 -13.177 -1.589 -1.731 1.00 0.00 C ATOM 465 CG PHE A 30 -12.527 -0.786 -0.640 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.359 -0.083 -0.883 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.096 -0.714 0.620 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.774 0.672 0.111 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.514 0.037 1.615 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.352 0.730 1.360 1.00 0.00 C ATOM 0 H PHE A 30 -13.105 1.006 -2.604 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.701 -1.394 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.663 -2.462 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.411 -1.958 -2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.902 -0.127 -1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.008 -1.254 0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.864 1.217 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.968 0.083 2.594 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.893 1.320 2.140 1.00 0.00 H new ATOM 480 N HIS A 31 -15.895 -1.208 -0.843 1.00 0.00 N ATOM 481 CA HIS A 31 -16.868 -0.922 0.224 1.00 0.00 C ATOM 482 C HIS A 31 -16.641 -1.950 1.334 1.00 0.00 C ATOM 483 O HIS A 31 -15.932 -2.926 1.107 1.00 0.00 O ATOM 484 CB HIS A 31 -18.344 -0.971 -0.260 1.00 0.00 C ATOM 485 CG HIS A 31 -18.687 0.028 -1.324 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.297 1.218 -1.013 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.507 -0.040 -2.665 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.475 1.845 -2.162 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.012 1.123 -3.192 1.00 0.00 N ATOM 0 H HIS A 31 -15.730 -2.204 -0.986 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.709 0.097 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.555 -1.971 -0.638 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.999 -0.809 0.596 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.054 -0.852 -3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.936 2.817 -2.259 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.031 1.387 -4.177 1.00 0.00 H new ATOM 497 N PRO A 32 -17.198 -1.776 2.553 1.00 0.00 N ATOM 498 CA PRO A 32 -18.029 -0.625 2.944 1.00 0.00 C ATOM 499 C PRO A 32 -17.264 0.697 2.937 1.00 0.00 C ATOM 500 O PRO A 32 -17.496 1.545 2.079 1.00 0.00 O ATOM 501 CB PRO A 32 -18.483 -0.968 4.370 1.00 0.00 C ATOM 502 CG PRO A 32 -18.260 -2.434 4.508 1.00 0.00 C ATOM 503 CD PRO A 32 -17.070 -2.743 3.653 1.00 0.00 C ATOM 0 HA PRO A 32 -18.849 -0.476 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.909 -0.411 5.111 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.532 -0.713 4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.077 -2.706 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.135 -2.996 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.135 -2.613 4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.088 -3.771 3.292 1.00 0.00 H new ATOM 511 N SER A 33 -16.357 0.885 3.890 1.00 0.00 N ATOM 512 CA SER A 33 -15.531 2.075 3.933 1.00 0.00 C ATOM 513 C SER A 33 -14.202 1.708 4.583 1.00 0.00 C ATOM 514 O SER A 33 -13.467 2.564 5.076 1.00 0.00 O ATOM 515 CB SER A 33 -16.228 3.176 4.742 1.00 0.00 C ATOM 516 OG SER A 33 -16.407 2.782 6.096 1.00 0.00 O ATOM 0 H SER A 33 -16.179 0.222 4.644 1.00 0.00 H new ATOM 0 HA SER A 33 -15.364 2.451 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.637 4.091 4.702 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.196 3.402 4.295 1.00 0.00 H new ATOM 0 HG SER A 33 -16.852 3.502 6.590 1.00 0.00 H new ATOM 522 N ASP A 34 -13.903 0.409 4.568 1.00 0.00 N ATOM 523 CA ASP A 34 -12.773 -0.128 5.323 1.00 0.00 C ATOM 524 C ASP A 34 -12.116 -1.302 4.605 1.00 0.00 C ATOM 525 O ASP A 34 -12.792 -2.167 4.041 1.00 0.00 O ATOM 526 CB ASP A 34 -13.218 -0.562 6.731 1.00 0.00 C ATOM 527 CG ASP A 34 -12.287 -1.579 7.370 1.00 0.00 C ATOM 528 OD1 ASP A 34 -12.534 -2.798 7.222 1.00 0.00 O ATOM 529 OD2 ASP A 34 -11.319 -1.162 8.035 1.00 0.00 O ATOM 0 H ASP A 34 -14.428 -0.290 4.042 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.036 0.671 5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.279 0.317 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.221 -0.984 6.673 1.00 0.00 H new ATOM 534 N ILE A 35 -10.795 -1.290 4.613 1.00 0.00 N ATOM 535 CA ILE A 35 -9.990 -2.405 4.130 1.00 0.00 C ATOM 536 C ILE A 35 -8.717 -2.465 4.954 1.00 0.00 C ATOM 537 O ILE A 35 -8.286 -1.450 5.502 1.00 0.00 O ATOM 538 CB ILE A 35 -9.604 -2.282 2.630 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.134 -3.641 2.090 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.505 -1.245 2.439 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.239 -3.547 0.866 1.00 0.00 C ATOM 0 H ILE A 35 -10.244 -0.503 4.956 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.591 -3.309 4.232 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.487 -1.961 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.598 -4.168 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.008 -4.243 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.250 -1.175 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.855 -0.275 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.622 -1.541 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.951 -4.549 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.778 -3.051 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.345 -2.974 1.112 1.00 0.00 H new ATOM 553 N GLU A 36 -8.119 -3.637 5.059 1.00 0.00 N ATOM 554 CA GLU A 36 -6.883 -3.781 5.794 1.00 0.00 C ATOM 555 C GLU A 36 -5.754 -4.104 4.829 1.00 0.00 C ATOM 556 O GLU A 36 -5.789 -5.126 4.135 1.00 0.00 O ATOM 557 CB GLU A 36 -6.995 -4.902 6.822 1.00 0.00 C ATOM 558 CG GLU A 36 -5.982 -4.796 7.953 1.00 0.00 C ATOM 559 CD GLU A 36 -6.257 -3.619 8.860 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.158 -2.470 8.393 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.568 -3.843 10.049 1.00 0.00 O ATOM 0 H GLU A 36 -8.471 -4.500 4.644 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.678 -2.844 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.000 -4.897 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.865 -5.860 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.997 -5.715 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.980 -4.702 7.533 1.00 0.00 H new ATOM 568 N VAL A 37 -4.764 -3.240 4.787 1.00 0.00 N ATOM 569 CA VAL A 37 -3.625 -3.425 3.904 1.00 0.00 C ATOM 570 C VAL A 37 -2.327 -3.289 4.689 1.00 0.00 C ATOM 571 O VAL A 37 -2.188 -2.417 5.546 1.00 0.00 O ATOM 572 CB VAL A 37 -3.670 -2.466 2.676 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.720 -1.399 2.879 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.312 -1.832 2.360 1.00 0.00 C ATOM 0 H VAL A 37 -4.722 -2.395 5.357 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.673 -4.435 3.497 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.936 -3.075 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.739 -0.738 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.697 -1.868 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.483 -0.821 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.409 -1.175 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.972 -1.253 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.587 -2.616 2.141 1.00 0.00 H new ATOM 584 N ASP A 38 -1.403 -4.180 4.399 1.00 0.00 N ATOM 585 CA ASP A 38 -0.147 -4.271 5.127 1.00 0.00 C ATOM 586 C ASP A 38 1.021 -4.256 4.154 1.00 0.00 C ATOM 587 O ASP A 38 0.938 -4.819 3.066 1.00 0.00 O ATOM 588 CB ASP A 38 -0.145 -5.539 6.000 1.00 0.00 C ATOM 589 CG ASP A 38 1.206 -6.213 6.094 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.125 -5.621 6.688 1.00 0.00 O ATOM 591 OD2 ASP A 38 1.331 -7.355 5.600 1.00 0.00 O ATOM 0 H ASP A 38 -1.498 -4.866 3.650 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.039 -3.409 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.481 -5.278 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.867 -6.248 5.596 1.00 0.00 H new ATOM 596 N LEU A 39 2.093 -3.584 4.533 1.00 0.00 N ATOM 597 CA LEU A 39 3.251 -3.451 3.667 1.00 0.00 C ATOM 598 C LEU A 39 4.260 -4.543 3.990 1.00 0.00 C ATOM 599 O LEU A 39 4.478 -4.876 5.150 1.00 0.00 O ATOM 600 CB LEU A 39 3.901 -2.071 3.820 1.00 0.00 C ATOM 601 CG LEU A 39 2.939 -0.878 3.790 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.701 0.425 3.970 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.143 -0.848 2.499 1.00 0.00 C ATOM 0 H LEU A 39 2.186 -3.121 5.437 1.00 0.00 H new ATOM 0 HA LEU A 39 2.921 -3.554 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.448 -2.050 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.634 -1.944 3.023 1.00 0.00 H new ATOM 0 HG LEU A 39 2.238 -0.992 4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.002 1.261 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.220 0.413 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.427 0.536 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.469 0.009 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.825 -0.766 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.562 -1.766 2.409 1.00 0.00 H new ATOM 615 N LEU A 40 4.865 -5.094 2.958 1.00 0.00 N ATOM 616 CA LEU A 40 5.743 -6.237 3.107 1.00 0.00 C ATOM 617 C LEU A 40 7.184 -5.918 2.756 1.00 0.00 C ATOM 618 O LEU A 40 7.524 -4.809 2.350 1.00 0.00 O ATOM 619 CB LEU A 40 5.307 -7.397 2.224 1.00 0.00 C ATOM 620 CG LEU A 40 3.817 -7.677 2.155 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.567 -8.797 1.167 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.287 -8.040 3.527 1.00 0.00 C ATOM 0 H LEU A 40 4.763 -4.765 1.998 1.00 0.00 H new ATOM 0 HA LEU A 40 5.677 -6.510 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.665 -7.208 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.807 -8.299 2.576 1.00 0.00 H new ATOM 0 HG LEU A 40 3.292 -6.783 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.498 -9.003 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.930 -8.501 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.093 -9.694 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.217 -8.238 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.800 -8.930 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.462 -7.213 4.215 1.00 0.00 H new ATOM 634 N LYS A 41 8.000 -6.948 2.905 1.00 0.00 N ATOM 635 CA LYS A 41 9.405 -6.909 2.540 1.00 0.00 C ATOM 636 C LYS A 41 9.848 -8.281 2.061 1.00 0.00 C ATOM 637 O LYS A 41 10.141 -9.171 2.859 1.00 0.00 O ATOM 638 CB LYS A 41 10.271 -6.420 3.695 1.00 0.00 C ATOM 639 CG LYS A 41 10.371 -4.901 3.723 1.00 0.00 C ATOM 640 CD LYS A 41 11.380 -4.365 4.742 1.00 0.00 C ATOM 641 CE LYS A 41 10.855 -4.362 6.168 1.00 0.00 C ATOM 642 NZ LYS A 41 10.898 -5.706 6.784 1.00 0.00 N ATOM 0 H LYS A 41 7.701 -7.845 3.287 1.00 0.00 H new ATOM 0 HA LYS A 41 9.531 -6.195 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.854 -6.774 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.269 -6.848 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.649 -4.546 2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.388 -4.486 3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.286 -4.970 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.661 -3.349 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.445 -3.670 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.829 -3.994 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.948 -6.129 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.560 -6.309 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.216 -5.626 7.771 1.00 0.00 H new ATOM 656 N ASN A 42 9.866 -8.439 0.738 1.00 0.00 N ATOM 657 CA ASN A 42 10.125 -9.721 0.070 1.00 0.00 C ATOM 658 C ASN A 42 9.038 -10.756 0.376 1.00 0.00 C ATOM 659 O ASN A 42 8.950 -11.793 -0.283 1.00 0.00 O ATOM 660 CB ASN A 42 11.513 -10.283 0.412 1.00 0.00 C ATOM 661 CG ASN A 42 12.638 -9.523 -0.265 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.008 -9.820 -1.400 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.204 -8.551 0.433 1.00 0.00 N ATOM 0 H ASN A 42 9.699 -7.671 0.088 1.00 0.00 H new ATOM 0 HA ASN A 42 10.103 -9.515 -1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.657 -10.251 1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.559 -11.331 0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.976 -8.018 0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.868 -8.335 1.372 1.00 0.00 H new ATOM 670 N GLY A 43 8.203 -10.464 1.363 1.00 0.00 N ATOM 671 CA GLY A 43 7.107 -11.345 1.701 1.00 0.00 C ATOM 672 C GLY A 43 6.719 -11.291 3.167 1.00 0.00 C ATOM 673 O GLY A 43 5.766 -11.950 3.580 1.00 0.00 O ATOM 0 H GLY A 43 8.268 -9.625 1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.240 -11.084 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.380 -12.368 1.443 1.00 0.00 H new ATOM 677 N GLU A 44 7.441 -10.511 3.957 1.00 0.00 N ATOM 678 CA GLU A 44 7.196 -10.452 5.383 1.00 0.00 C ATOM 679 C GLU A 44 6.468 -9.171 5.774 1.00 0.00 C ATOM 680 O GLU A 44 6.580 -8.159 5.093 1.00 0.00 O ATOM 681 CB GLU A 44 8.529 -10.594 6.092 1.00 0.00 C ATOM 682 CG GLU A 44 9.481 -9.436 5.908 1.00 0.00 C ATOM 683 CD GLU A 44 9.291 -8.320 6.905 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.865 -7.227 6.504 1.00 0.00 O ATOM 685 OE2 GLU A 44 9.610 -8.525 8.094 1.00 0.00 O ATOM 0 H GLU A 44 8.200 -9.912 3.632 1.00 0.00 H new ATOM 0 HA GLU A 44 6.537 -11.267 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.343 -10.725 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.015 -11.503 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.504 -9.805 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.359 -9.035 4.902 1.00 0.00 H new ATOM 692 N ARG A 45 5.690 -9.252 6.844 1.00 0.00 N ATOM 693 CA ARG A 45 4.887 -8.131 7.320 1.00 0.00 C ATOM 694 C ARG A 45 5.728 -7.057 8.018 1.00 0.00 C ATOM 695 O ARG A 45 6.579 -7.365 8.856 1.00 0.00 O ATOM 696 CB ARG A 45 3.817 -8.664 8.281 1.00 0.00 C ATOM 697 CG ARG A 45 2.827 -7.638 8.749 1.00 0.00 C ATOM 698 CD ARG A 45 1.607 -8.338 9.361 1.00 0.00 C ATOM 699 NE ARG A 45 1.401 -9.681 8.810 1.00 0.00 N ATOM 700 CZ ARG A 45 0.200 -10.214 8.558 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.908 -9.527 8.810 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.110 -11.445 8.066 1.00 0.00 N ATOM 0 H ARG A 45 5.597 -10.097 7.408 1.00 0.00 H new ATOM 0 HA ARG A 45 4.427 -7.655 6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.276 -9.473 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.312 -9.095 9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.290 -6.982 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.517 -7.010 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.734 -8.407 10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.717 -7.734 9.183 1.00 0.00 H new ATOM 0 HE ARG A 45 2.226 -10.245 8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.847 -8.586 9.198 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.820 -9.940 8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.956 -11.983 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.805 -11.852 7.874 1.00 0.00 H new ATOM 716 N ILE A 46 5.457 -5.796 7.683 1.00 0.00 N ATOM 717 CA ILE A 46 6.104 -4.657 8.324 1.00 0.00 C ATOM 718 C ILE A 46 5.197 -4.103 9.410 1.00 0.00 C ATOM 719 O ILE A 46 3.986 -3.984 9.223 1.00 0.00 O ATOM 720 CB ILE A 46 6.405 -3.529 7.316 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.283 -4.045 6.184 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.086 -2.356 8.012 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.445 -3.051 5.056 1.00 0.00 C ATOM 0 H ILE A 46 4.784 -5.538 6.961 1.00 0.00 H new ATOM 0 HA ILE A 46 7.046 -5.008 8.746 1.00 0.00 H new ATOM 0 HB ILE A 46 5.459 -3.185 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.266 -4.297 6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.853 -4.966 5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.290 -1.570 7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.432 -1.967 8.793 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.023 -2.691 8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.081 -3.480 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.468 -2.817 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.903 -2.139 5.438 1.00 0.00 H new ATOM 735 N GLU A 47 5.778 -3.760 10.542 1.00 0.00 N ATOM 736 CA GLU A 47 5.002 -3.342 11.701 1.00 0.00 C ATOM 737 C GLU A 47 4.890 -1.811 11.839 1.00 0.00 C ATOM 738 O GLU A 47 3.815 -1.306 12.159 1.00 0.00 O ATOM 739 CB GLU A 47 5.557 -3.977 12.996 1.00 0.00 C ATOM 740 CG GLU A 47 7.073 -4.160 13.050 1.00 0.00 C ATOM 741 CD GLU A 47 7.595 -5.290 12.184 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.144 -5.002 11.099 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.472 -6.465 12.588 1.00 0.00 O ATOM 0 H GLU A 47 6.787 -3.761 10.688 1.00 0.00 H new ATOM 0 HA GLU A 47 3.988 -3.707 11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.254 -3.358 13.840 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.087 -4.951 13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.551 -3.230 12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.369 -4.343 14.083 1.00 0.00 H new ATOM 750 N LYS A 48 5.982 -1.069 11.615 1.00 0.00 N ATOM 751 CA LYS A 48 5.959 0.389 11.720 1.00 0.00 C ATOM 752 C LYS A 48 5.123 1.089 10.647 1.00 0.00 C ATOM 753 O LYS A 48 5.115 2.319 10.578 1.00 0.00 O ATOM 754 CB LYS A 48 7.375 0.912 11.684 1.00 0.00 C ATOM 755 CG LYS A 48 8.181 0.351 12.820 1.00 0.00 C ATOM 756 CD LYS A 48 9.546 0.979 12.921 1.00 0.00 C ATOM 757 CE LYS A 48 10.471 0.488 11.823 1.00 0.00 C ATOM 758 NZ LYS A 48 11.788 1.173 11.879 1.00 0.00 N ATOM 0 H LYS A 48 6.890 -1.457 11.360 1.00 0.00 H new ATOM 0 HA LYS A 48 5.474 0.619 12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.841 0.646 10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.367 2.000 11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.643 0.506 13.755 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.288 -0.726 12.689 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.453 2.063 12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.981 0.750 13.894 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.614 -0.588 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.009 0.662 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.398 0.816 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.652 2.197 11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.238 0.986 12.798 1.00 0.00 H new ATOM 772 N VAL A 49 4.458 0.325 9.800 1.00 0.00 N ATOM 773 CA VAL A 49 3.522 0.889 8.841 1.00 0.00 C ATOM 774 C VAL A 49 2.416 1.665 9.551 1.00 0.00 C ATOM 775 O VAL A 49 1.858 1.200 10.547 1.00 0.00 O ATOM 776 CB VAL A 49 2.883 -0.214 7.986 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.852 0.375 7.036 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.958 -0.966 7.227 1.00 0.00 C ATOM 0 H VAL A 49 4.548 -0.690 9.756 1.00 0.00 H new ATOM 0 HA VAL A 49 4.085 1.566 8.198 1.00 0.00 H new ATOM 0 HB VAL A 49 2.367 -0.916 8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.410 -0.423 6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.071 0.873 7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.335 1.097 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.498 -1.747 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.496 -0.275 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.654 -1.417 7.934 1.00 0.00 H new ATOM 788 N GLU A 50 2.103 2.846 9.038 1.00 0.00 N ATOM 789 CA GLU A 50 1.070 3.673 9.626 1.00 0.00 C ATOM 790 C GLU A 50 0.080 4.137 8.569 1.00 0.00 C ATOM 791 O GLU A 50 0.440 4.393 7.418 1.00 0.00 O ATOM 792 CB GLU A 50 1.671 4.894 10.323 1.00 0.00 C ATOM 793 CG GLU A 50 2.743 4.555 11.338 1.00 0.00 C ATOM 794 CD GLU A 50 3.346 5.790 11.974 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.291 6.368 11.392 1.00 0.00 O ATOM 796 OE2 GLU A 50 2.877 6.193 13.058 1.00 0.00 O ATOM 0 H GLU A 50 2.552 3.249 8.216 1.00 0.00 H new ATOM 0 HA GLU A 50 0.549 3.064 10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.095 5.558 9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.873 5.445 10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.316 3.921 12.115 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.530 3.978 10.852 1.00 0.00 H new ATOM 803 N HIS A 51 -1.167 4.229 8.976 1.00 0.00 N ATOM 804 CA HIS A 51 -2.218 4.789 8.132 1.00 0.00 C ATOM 805 C HIS A 51 -2.656 6.146 8.669 1.00 0.00 C ATOM 806 O HIS A 51 -2.888 6.305 9.868 1.00 0.00 O ATOM 807 CB HIS A 51 -3.425 3.844 8.032 1.00 0.00 C ATOM 808 CG HIS A 51 -4.044 3.467 9.348 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.564 2.675 10.337 1.00 0.00 N flip ATOM 810 CD2 HIS A 51 -5.286 3.931 9.709 1.00 0.00 C flip ATOM 811 CE1 HIS A 51 -4.516 2.646 11.323 1.00 0.00 C flip ATOM 812 NE2 HIS A 51 -5.532 3.414 10.900 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.487 3.922 9.894 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.809 4.914 7.129 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.186 4.315 7.411 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.114 2.934 7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.929 4.584 9.137 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.459 2.109 12.259 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.387 3.578 11.431 1.00 0.00 H new ATOM 820 N SER A 52 -2.727 7.131 7.786 1.00 0.00 N ATOM 821 CA SER A 52 -3.174 8.461 8.173 1.00 0.00 C ATOM 822 C SER A 52 -4.700 8.542 8.098 1.00 0.00 C ATOM 823 O SER A 52 -5.378 7.514 8.046 1.00 0.00 O ATOM 824 CB SER A 52 -2.524 9.526 7.281 1.00 0.00 C ATOM 825 OG SER A 52 -2.689 10.828 7.822 1.00 0.00 O ATOM 0 H SER A 52 -2.482 7.035 6.800 1.00 0.00 H new ATOM 0 HA SER A 52 -2.868 8.652 9.202 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.462 9.309 7.169 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.964 9.486 6.285 1.00 0.00 H new ATOM 0 HG SER A 52 -2.263 11.484 7.232 1.00 0.00 H new ATOM 831 N ASP A 53 -5.231 9.758 8.092 1.00 0.00 N ATOM 832 CA ASP A 53 -6.676 9.964 8.091 1.00 0.00 C ATOM 833 C ASP A 53 -7.321 9.343 6.857 1.00 0.00 C ATOM 834 O ASP A 53 -6.788 9.459 5.754 1.00 0.00 O ATOM 835 CB ASP A 53 -7.010 11.453 8.160 1.00 0.00 C ATOM 836 CG ASP A 53 -8.495 11.699 8.338 1.00 0.00 C ATOM 837 OD1 ASP A 53 -9.156 12.111 7.364 1.00 0.00 O ATOM 838 OD2 ASP A 53 -9.003 11.479 9.459 1.00 0.00 O ATOM 0 H ASP A 53 -4.683 10.618 8.088 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.079 9.470 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.466 11.908 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.669 11.943 7.248 1.00 0.00 H new ATOM 843 N LEU A 54 -8.432 8.648 7.079 1.00 0.00 N ATOM 844 CA LEU A 54 -9.151 7.925 6.023 1.00 0.00 C ATOM 845 C LEU A 54 -9.331 8.789 4.768 1.00 0.00 C ATOM 846 O LEU A 54 -8.544 8.698 3.825 1.00 0.00 O ATOM 847 CB LEU A 54 -10.518 7.444 6.559 1.00 0.00 C ATOM 848 CG LEU A 54 -11.177 6.260 5.828 1.00 0.00 C ATOM 849 CD1 LEU A 54 -11.777 6.681 4.494 1.00 0.00 C ATOM 850 CD2 LEU A 54 -10.173 5.139 5.625 1.00 0.00 C ATOM 0 H LEU A 54 -8.865 8.567 7.999 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.555 7.059 5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.394 7.169 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.209 8.287 6.531 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.992 5.900 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.232 5.816 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.537 7.444 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.993 7.084 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.654 4.309 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.337 5.503 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.807 4.799 6.594 1.00 0.00 H new ATOM 862 N SER A 55 -10.347 9.640 4.787 1.00 0.00 N ATOM 863 CA SER A 55 -10.714 10.468 3.640 1.00 0.00 C ATOM 864 C SER A 55 -11.875 11.375 4.007 1.00 0.00 C ATOM 865 O SER A 55 -12.312 11.411 5.160 1.00 0.00 O ATOM 866 CB SER A 55 -11.129 9.609 2.433 1.00 0.00 C ATOM 867 OG SER A 55 -10.012 9.131 1.709 1.00 0.00 O ATOM 0 H SER A 55 -10.945 9.778 5.602 1.00 0.00 H new ATOM 0 HA SER A 55 -9.838 11.058 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.725 8.764 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.764 10.198 1.771 1.00 0.00 H new ATOM 0 HG SER A 55 -9.460 8.569 2.292 1.00 0.00 H new ATOM 873 N PHE A 56 -12.370 12.101 3.021 1.00 0.00 N ATOM 874 CA PHE A 56 -13.566 12.910 3.181 1.00 0.00 C ATOM 875 C PHE A 56 -14.485 12.652 1.998 1.00 0.00 C ATOM 876 O PHE A 56 -14.146 12.983 0.858 1.00 0.00 O ATOM 877 CB PHE A 56 -13.227 14.406 3.291 1.00 0.00 C ATOM 878 CG PHE A 56 -14.424 15.282 3.544 1.00 0.00 C ATOM 879 CD1 PHE A 56 -15.006 16.003 2.512 1.00 0.00 C ATOM 880 CD2 PHE A 56 -14.966 15.385 4.815 1.00 0.00 C ATOM 881 CE1 PHE A 56 -16.104 16.808 2.745 1.00 0.00 C ATOM 882 CE2 PHE A 56 -16.064 16.189 5.052 1.00 0.00 C ATOM 883 CZ PHE A 56 -16.633 16.901 4.016 1.00 0.00 C ATOM 0 H PHE A 56 -11.956 12.147 2.090 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.065 12.630 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.508 14.548 4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.741 14.728 2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -14.596 15.934 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -14.525 14.830 5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -16.548 17.364 1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -16.477 16.260 6.047 1.00 0.00 H new ATOM 0 HZ PHE A 56 -17.491 17.530 4.200 1.00 0.00 H new ATOM 893 N SER A 57 -15.623 12.025 2.272 1.00 0.00 N ATOM 894 CA SER A 57 -16.578 11.659 1.234 1.00 0.00 C ATOM 895 C SER A 57 -17.026 12.889 0.447 1.00 0.00 C ATOM 896 O SER A 57 -17.201 13.970 1.017 1.00 0.00 O ATOM 897 CB SER A 57 -17.781 10.967 1.874 1.00 0.00 C ATOM 898 OG SER A 57 -17.355 9.943 2.761 1.00 0.00 O ATOM 0 H SER A 57 -15.908 11.758 3.214 1.00 0.00 H new ATOM 0 HA SER A 57 -16.096 10.975 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.382 11.698 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.418 10.542 1.098 1.00 0.00 H new ATOM 0 HG SER A 57 -16.993 9.193 2.245 1.00 0.00 H new ATOM 904 N LYS A 58 -17.245 12.717 -0.853 1.00 0.00 N ATOM 905 CA LYS A 58 -17.538 13.830 -1.744 1.00 0.00 C ATOM 906 C LYS A 58 -18.398 13.326 -2.897 1.00 0.00 C ATOM 907 O LYS A 58 -19.617 13.211 -2.763 1.00 0.00 O ATOM 908 CB LYS A 58 -16.259 14.474 -2.297 1.00 0.00 C ATOM 909 CG LYS A 58 -15.405 15.177 -1.254 1.00 0.00 C ATOM 910 CD LYS A 58 -14.148 15.769 -1.870 1.00 0.00 C ATOM 911 CE LYS A 58 -13.305 14.701 -2.548 1.00 0.00 C ATOM 912 NZ LYS A 58 -12.870 13.643 -1.596 1.00 0.00 N ATOM 0 H LYS A 58 -17.224 11.808 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.069 14.593 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.659 13.703 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.534 15.194 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.986 15.968 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.130 14.470 -0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.423 16.533 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.560 16.262 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.878 14.247 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.428 15.165 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.833 13.564 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.181 13.891 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.291 12.733 -1.872 1.00 0.00 H new ATOM 926 N ASP A 59 -17.766 12.999 -4.024 1.00 0.00 N ATOM 927 CA ASP A 59 -18.471 12.405 -5.149 1.00 0.00 C ATOM 928 C ASP A 59 -17.867 11.051 -5.475 1.00 0.00 C ATOM 929 O ASP A 59 -18.578 10.055 -5.606 1.00 0.00 O ATOM 930 CB ASP A 59 -18.373 13.293 -6.394 1.00 0.00 C ATOM 931 CG ASP A 59 -18.763 14.729 -6.134 1.00 0.00 C ATOM 932 OD1 ASP A 59 -17.858 15.558 -5.910 1.00 0.00 O ATOM 933 OD2 ASP A 59 -19.971 15.037 -6.158 1.00 0.00 O ATOM 0 H ASP A 59 -16.767 13.137 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.519 12.299 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.352 13.264 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.015 12.885 -7.175 1.00 0.00 H new ATOM 938 N TRP A 60 -16.543 11.024 -5.600 1.00 0.00 N ATOM 939 CA TRP A 60 -15.834 9.813 -5.986 1.00 0.00 C ATOM 940 C TRP A 60 -15.580 8.916 -4.771 1.00 0.00 C ATOM 941 O TRP A 60 -15.828 9.315 -3.630 1.00 0.00 O ATOM 942 CB TRP A 60 -14.514 10.176 -6.688 1.00 0.00 C ATOM 943 CG TRP A 60 -13.819 9.010 -7.335 1.00 0.00 C ATOM 944 CD1 TRP A 60 -12.608 8.483 -6.990 1.00 0.00 C ATOM 945 CD2 TRP A 60 -14.304 8.219 -8.429 1.00 0.00 C ATOM 946 NE1 TRP A 60 -12.306 7.417 -7.801 1.00 0.00 N ATOM 947 CE2 TRP A 60 -13.331 7.235 -8.692 1.00 0.00 C ATOM 948 CE3 TRP A 60 -15.464 8.246 -9.210 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -13.483 6.288 -9.700 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -15.616 7.308 -10.212 1.00 0.00 C ATOM 951 CH2 TRP A 60 -14.627 6.334 -10.450 1.00 0.00 C ATOM 0 H TRP A 60 -15.940 11.831 -5.439 1.00 0.00 H new ATOM 0 HA TRP A 60 -16.456 9.254 -6.684 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -14.715 10.932 -7.447 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -13.840 10.628 -5.960 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -11.978 8.851 -6.194 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.458 6.853 -7.749 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -16.228 8.988 -9.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -12.724 5.542 -9.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -16.507 7.322 -10.822 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.774 5.611 -11.238 1.00 0.00 H new ATOM 962 N SER A 61 -15.101 7.704 -5.030 1.00 0.00 N ATOM 963 CA SER A 61 -14.822 6.721 -3.991 1.00 0.00 C ATOM 964 C SER A 61 -13.817 7.241 -2.959 1.00 0.00 C ATOM 965 O SER A 61 -13.037 8.160 -3.228 1.00 0.00 O ATOM 966 CB SER A 61 -14.284 5.443 -4.643 1.00 0.00 C ATOM 967 OG SER A 61 -15.273 4.837 -5.461 1.00 0.00 O ATOM 0 H SER A 61 -14.894 7.375 -5.973 1.00 0.00 H new ATOM 0 HA SER A 61 -15.752 6.516 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.405 5.678 -5.243 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.965 4.742 -3.871 1.00 0.00 H new ATOM 0 HG SER A 61 -14.907 4.024 -5.868 1.00 0.00 H new ATOM 973 N PHE A 62 -13.853 6.636 -1.778 1.00 0.00 N ATOM 974 CA PHE A 62 -12.975 7.013 -0.678 1.00 0.00 C ATOM 975 C PHE A 62 -11.605 6.378 -0.865 1.00 0.00 C ATOM 976 O PHE A 62 -11.447 5.449 -1.661 1.00 0.00 O ATOM 977 CB PHE A 62 -13.562 6.549 0.660 1.00 0.00 C ATOM 978 CG PHE A 62 -15.052 6.341 0.646 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.920 7.361 1.008 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.584 5.114 0.276 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.289 7.158 0.999 1.00 0.00 C ATOM 982 CE2 PHE A 62 -16.950 4.909 0.264 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.803 5.930 0.628 1.00 0.00 C ATOM 0 H PHE A 62 -14.491 5.871 -1.556 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.881 8.099 -0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.080 5.616 0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.317 7.286 1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.524 8.322 1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -14.922 4.309 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.956 7.959 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.350 3.950 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.871 5.770 0.623 1.00 0.00 H new ATOM 993 N TYR A 63 -10.626 6.867 -0.121 1.00 0.00 N ATOM 994 CA TYR A 63 -9.270 6.353 -0.205 1.00 0.00 C ATOM 995 C TYR A 63 -8.781 5.966 1.185 1.00 0.00 C ATOM 996 O TYR A 63 -9.208 6.546 2.180 1.00 0.00 O ATOM 997 CB TYR A 63 -8.334 7.416 -0.799 1.00 0.00 C ATOM 998 CG TYR A 63 -8.904 8.135 -2.000 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.431 9.413 -1.875 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -8.918 7.540 -3.254 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.958 10.077 -2.963 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -9.444 8.199 -4.350 1.00 0.00 C ATOM 1003 CZ TYR A 63 -9.962 9.466 -4.198 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.489 10.124 -5.287 1.00 0.00 O ATOM 0 H TYR A 63 -10.747 7.624 0.552 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.267 5.475 -0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.098 8.149 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.396 6.940 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.428 9.896 -0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.512 6.547 -3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.365 11.071 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.449 7.723 -5.319 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.027 9.832 -6.101 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.920 4.968 1.256 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.248 4.636 2.501 1.00 0.00 C ATOM 1016 C LEU A 64 -5.769 4.420 2.224 1.00 0.00 C ATOM 1017 O LEU A 64 -5.395 3.710 1.285 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.937 3.428 3.164 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.172 2.697 4.269 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.153 2.150 5.290 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.356 1.564 3.676 1.00 0.00 C ATOM 0 H LEU A 64 -7.669 4.372 0.467 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.322 5.456 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.885 3.768 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.173 2.705 2.383 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.495 3.397 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.607 1.629 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.721 2.972 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.836 1.455 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.815 1.050 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.021 0.860 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.645 1.967 2.955 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.937 5.056 3.033 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.520 5.138 2.755 1.00 0.00 C ATOM 1035 C LEU A 65 -2.711 4.422 3.831 1.00 0.00 C ATOM 1036 O LEU A 65 -2.864 4.691 5.020 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.111 6.614 2.682 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.934 6.954 1.762 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.705 8.459 1.724 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.666 6.242 2.197 1.00 0.00 C ATOM 0 H LEU A 65 -5.225 5.524 3.892 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.316 4.649 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.976 7.192 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.864 6.950 3.689 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.187 6.608 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.865 8.683 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.601 8.954 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.484 8.819 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.149 6.506 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.409 6.544 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.826 5.164 2.169 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.845 3.526 3.396 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.920 2.840 4.291 1.00 0.00 C ATOM 1054 C TYR A 66 0.513 3.104 3.853 1.00 0.00 C ATOM 1055 O TYR A 66 0.917 2.725 2.759 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.209 1.339 4.325 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.146 0.907 5.432 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.661 0.652 6.709 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.503 0.723 5.202 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.497 0.228 7.722 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.344 0.299 6.210 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.837 0.052 7.468 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.666 -0.362 8.483 1.00 0.00 O ATOM 0 H TYR A 66 -1.760 3.251 2.417 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.056 3.228 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.637 1.042 3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.266 0.802 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.609 0.788 6.913 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.906 0.915 4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.101 0.036 8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.397 0.161 6.014 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.953 -1.284 8.316 1.00 0.00 H new ATOM 1073 N TYR A 67 1.271 3.776 4.704 1.00 0.00 N ATOM 1074 CA TYR A 67 2.627 4.174 4.350 1.00 0.00 C ATOM 1075 C TYR A 67 3.608 3.853 5.464 1.00 0.00 C ATOM 1076 O TYR A 67 3.214 3.569 6.593 1.00 0.00 O ATOM 1077 CB TYR A 67 2.680 5.677 4.013 1.00 0.00 C ATOM 1078 CG TYR A 67 2.308 6.608 5.152 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.269 7.069 6.043 1.00 0.00 C ATOM 1080 CD2 TYR A 67 0.998 7.043 5.321 1.00 0.00 C ATOM 1081 CE1 TYR A 67 2.937 7.930 7.071 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.656 7.905 6.346 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.630 8.346 7.219 1.00 0.00 C ATOM 1084 OH TYR A 67 1.297 9.204 8.247 1.00 0.00 O ATOM 0 H TYR A 67 0.975 4.057 5.639 1.00 0.00 H new ATOM 0 HA TYR A 67 2.918 3.603 3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.688 5.923 3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.010 5.869 3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.294 6.748 5.930 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.234 6.701 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.697 8.276 7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.367 8.231 6.463 1.00 0.00 H new ATOM 0 HH TYR A 67 0.538 9.762 7.975 1.00 0.00 H new ATOM 1094 N THR A 68 4.888 3.886 5.128 1.00 0.00 N ATOM 1095 CA THR A 68 5.940 3.651 6.103 1.00 0.00 C ATOM 1096 C THR A 68 7.235 4.308 5.636 1.00 0.00 C ATOM 1097 O THR A 68 7.498 4.413 4.432 1.00 0.00 O ATOM 1098 CB THR A 68 6.175 2.137 6.350 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.082 1.943 7.444 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.730 1.448 5.110 1.00 0.00 C ATOM 0 H THR A 68 5.224 4.074 4.183 1.00 0.00 H new ATOM 0 HA THR A 68 5.621 4.093 7.047 1.00 0.00 H new ATOM 0 HB THR A 68 5.209 1.694 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.219 0.984 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.882 0.389 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.024 1.557 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.681 1.904 4.835 1.00 0.00 H new ATOM 1108 N GLU A 69 8.008 4.795 6.593 1.00 0.00 N ATOM 1109 CA GLU A 69 9.313 5.357 6.305 1.00 0.00 C ATOM 1110 C GLU A 69 10.329 4.227 6.217 1.00 0.00 C ATOM 1111 O GLU A 69 10.469 3.430 7.145 1.00 0.00 O ATOM 1112 CB GLU A 69 9.705 6.364 7.392 1.00 0.00 C ATOM 1113 CG GLU A 69 10.990 7.123 7.107 1.00 0.00 C ATOM 1114 CD GLU A 69 11.337 8.092 8.217 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.063 7.693 9.150 1.00 0.00 O ATOM 1116 OE2 GLU A 69 10.870 9.248 8.171 1.00 0.00 O ATOM 0 H GLU A 69 7.751 4.811 7.580 1.00 0.00 H new ATOM 0 HA GLU A 69 9.287 5.887 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.893 7.081 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.811 5.835 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.808 6.414 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.888 7.669 6.169 1.00 0.00 H new ATOM 1123 N PHE A 70 11.042 4.169 5.108 1.00 0.00 N ATOM 1124 CA PHE A 70 11.899 3.031 4.816 1.00 0.00 C ATOM 1125 C PHE A 70 13.172 3.494 4.125 1.00 0.00 C ATOM 1126 O PHE A 70 13.249 4.626 3.648 1.00 0.00 O ATOM 1127 CB PHE A 70 11.160 1.985 3.957 1.00 0.00 C ATOM 1128 CG PHE A 70 10.818 2.427 2.554 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.466 3.734 2.282 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.837 1.518 1.511 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.144 4.129 0.996 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.516 1.905 0.222 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.169 3.214 -0.036 1.00 0.00 C ATOM 0 H PHE A 70 11.046 4.896 4.393 1.00 0.00 H new ATOM 0 HA PHE A 70 12.168 2.555 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.776 1.087 3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.238 1.706 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.442 4.457 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.107 0.491 1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.873 5.156 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.537 1.183 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.918 3.521 -1.040 1.00 0.00 H new ATOM 1143 N THR A 71 14.173 2.635 4.105 1.00 0.00 N ATOM 1144 CA THR A 71 15.406 2.903 3.389 1.00 0.00 C ATOM 1145 C THR A 71 15.720 1.743 2.436 1.00 0.00 C ATOM 1146 O THR A 71 16.354 0.767 2.838 1.00 0.00 O ATOM 1147 CB THR A 71 16.570 3.113 4.379 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.229 4.165 5.294 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.864 3.467 3.656 1.00 0.00 C ATOM 0 H THR A 71 14.155 1.734 4.583 1.00 0.00 H new ATOM 0 HA THR A 71 15.282 3.816 2.806 1.00 0.00 H new ATOM 0 HB THR A 71 16.731 2.179 4.918 1.00 0.00 H new ATOM 0 HG1 THR A 71 16.966 4.300 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.662 3.608 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.133 2.659 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.724 4.388 3.089 1.00 0.00 H new ATOM 1157 N PRO A 72 15.225 1.813 1.181 1.00 0.00 N ATOM 1158 CA PRO A 72 15.460 0.780 0.155 1.00 0.00 C ATOM 1159 C PRO A 72 16.940 0.486 -0.076 1.00 0.00 C ATOM 1160 O PRO A 72 17.803 1.347 0.119 1.00 0.00 O ATOM 1161 CB PRO A 72 14.852 1.385 -1.128 1.00 0.00 C ATOM 1162 CG PRO A 72 14.607 2.827 -0.815 1.00 0.00 C ATOM 1163 CD PRO A 72 14.375 2.893 0.666 1.00 0.00 C ATOM 0 HA PRO A 72 15.020 -0.170 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.532 1.277 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.925 0.880 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.461 3.440 -1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.743 3.204 -1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.660 3.862 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.326 2.736 0.918 1.00 0.00 H new ATOM 1171 N THR A 73 17.225 -0.736 -0.490 1.00 0.00 N ATOM 1172 CA THR A 73 18.579 -1.151 -0.792 1.00 0.00 C ATOM 1173 C THR A 73 18.589 -2.008 -2.052 1.00 0.00 C ATOM 1174 O THR A 73 17.525 -2.361 -2.573 1.00 0.00 O ATOM 1175 CB THR A 73 19.229 -1.940 0.369 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.575 -3.196 0.528 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.139 -1.166 1.677 1.00 0.00 C ATOM 0 H THR A 73 16.525 -1.465 -0.625 1.00 0.00 H new ATOM 0 HA THR A 73 19.165 -0.245 -0.944 1.00 0.00 H new ATOM 0 HB THR A 73 20.280 -2.093 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.989 -3.163 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.604 -1.745 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.656 -0.212 1.572 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.092 -0.986 1.922 1.00 0.00 H new ATOM 1185 N GLU A 74 19.774 -2.315 -2.556 1.00 0.00 N ATOM 1186 CA GLU A 74 19.908 -3.182 -3.721 1.00 0.00 C ATOM 1187 C GLU A 74 19.304 -4.557 -3.448 1.00 0.00 C ATOM 1188 O GLU A 74 18.700 -5.174 -4.328 1.00 0.00 O ATOM 1189 CB GLU A 74 21.382 -3.359 -4.073 1.00 0.00 C ATOM 1190 CG GLU A 74 21.646 -3.651 -5.527 1.00 0.00 C ATOM 1191 CD GLU A 74 22.091 -2.422 -6.284 1.00 0.00 C ATOM 1192 OE1 GLU A 74 23.309 -2.136 -6.286 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.240 -1.732 -6.880 1.00 0.00 O ATOM 0 H GLU A 74 20.659 -1.977 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 74 19.377 -2.713 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.921 -2.453 -3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.791 -4.171 -3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.412 -4.422 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.742 -4.051 -5.986 1.00 0.00 H new ATOM 1200 N LYS A 75 19.474 -5.029 -2.224 1.00 0.00 N ATOM 1201 CA LYS A 75 19.096 -6.377 -1.864 1.00 0.00 C ATOM 1202 C LYS A 75 17.648 -6.489 -1.402 1.00 0.00 C ATOM 1203 O LYS A 75 17.012 -7.522 -1.618 1.00 0.00 O ATOM 1204 CB LYS A 75 20.029 -6.887 -0.771 1.00 0.00 C ATOM 1205 CG LYS A 75 21.434 -7.184 -1.255 1.00 0.00 C ATOM 1206 CD LYS A 75 22.460 -6.804 -0.205 1.00 0.00 C ATOM 1207 CE LYS A 75 23.843 -7.335 -0.561 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.855 -7.026 0.484 1.00 0.00 N ATOM 0 H LYS A 75 19.876 -4.488 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 75 19.185 -6.988 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.079 -6.145 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.605 -7.793 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.525 -8.244 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.629 -6.634 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.499 -5.719 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.155 -7.200 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.789 -8.414 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.161 -6.904 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.779 -7.407 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.928 -5.995 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.567 -7.459 1.385 1.00 0.00 H new ATOM 1222 N ASP A 76 17.097 -5.442 -0.807 1.00 0.00 N ATOM 1223 CA ASP A 76 15.783 -5.584 -0.193 1.00 0.00 C ATOM 1224 C ASP A 76 14.660 -5.155 -1.141 1.00 0.00 C ATOM 1225 O ASP A 76 14.906 -4.656 -2.243 1.00 0.00 O ATOM 1226 CB ASP A 76 15.707 -4.824 1.150 1.00 0.00 C ATOM 1227 CG ASP A 76 15.745 -3.314 1.028 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.100 -2.745 0.130 1.00 0.00 O ATOM 1229 OD2 ASP A 76 16.426 -2.689 1.858 1.00 0.00 O ATOM 0 H ASP A 76 17.519 -4.516 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 76 15.638 -6.644 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.788 -5.110 1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.536 -5.145 1.780 1.00 0.00 H new ATOM 1234 N GLU A 77 13.427 -5.388 -0.709 1.00 0.00 N ATOM 1235 CA GLU A 77 12.249 -5.036 -1.474 1.00 0.00 C ATOM 1236 C GLU A 77 11.079 -4.877 -0.524 1.00 0.00 C ATOM 1237 O GLU A 77 11.045 -5.515 0.528 1.00 0.00 O ATOM 1238 CB GLU A 77 11.960 -6.112 -2.542 1.00 0.00 C ATOM 1239 CG GLU A 77 10.568 -6.044 -3.184 1.00 0.00 C ATOM 1240 CD GLU A 77 9.612 -7.081 -2.621 1.00 0.00 C ATOM 1241 OE1 GLU A 77 9.271 -8.026 -3.363 1.00 0.00 O ATOM 1242 OE2 GLU A 77 9.206 -6.965 -1.449 1.00 0.00 O ATOM 0 H GLU A 77 13.221 -5.829 0.187 1.00 0.00 H new ATOM 0 HA GLU A 77 12.413 -4.094 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.709 -6.029 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.084 -7.094 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.150 -5.049 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.661 -6.188 -4.260 1.00 0.00 H new ATOM 1249 N TYR A 78 10.148 -4.006 -0.879 1.00 0.00 N ATOM 1250 CA TYR A 78 8.965 -3.785 -0.081 1.00 0.00 C ATOM 1251 C TYR A 78 7.738 -4.064 -0.931 1.00 0.00 C ATOM 1252 O TYR A 78 7.734 -3.795 -2.131 1.00 0.00 O ATOM 1253 CB TYR A 78 8.942 -2.347 0.475 1.00 0.00 C ATOM 1254 CG TYR A 78 10.215 -1.952 1.214 1.00 0.00 C ATOM 1255 CD1 TYR A 78 11.412 -1.763 0.530 1.00 0.00 C ATOM 1256 CD2 TYR A 78 10.225 -1.785 2.597 1.00 0.00 C ATOM 1257 CE1 TYR A 78 12.574 -1.432 1.199 1.00 0.00 C ATOM 1258 CE2 TYR A 78 11.386 -1.445 3.270 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.557 -1.275 2.568 1.00 0.00 C ATOM 1260 OH TYR A 78 13.717 -0.956 3.245 1.00 0.00 O ATOM 0 H TYR A 78 10.195 -3.438 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 78 8.969 -4.462 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.781 -1.652 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.093 -2.243 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.433 -1.877 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.310 -1.923 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.494 -1.296 0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.373 -1.314 4.342 1.00 0.00 H new ATOM 0 HH TYR A 78 13.527 -0.882 4.203 1.00 0.00 H new ATOM 1270 N ALA A 79 6.707 -4.625 -0.324 1.00 0.00 N ATOM 1271 CA ALA A 79 5.512 -5.031 -1.069 1.00 0.00 C ATOM 1272 C ALA A 79 4.244 -4.495 -0.420 1.00 0.00 C ATOM 1273 O ALA A 79 4.275 -4.024 0.708 1.00 0.00 O ATOM 1274 CB ALA A 79 5.442 -6.546 -1.199 1.00 0.00 C ATOM 0 H ALA A 79 6.666 -4.812 0.678 1.00 0.00 H new ATOM 0 HA ALA A 79 5.587 -4.601 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.547 -6.822 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.324 -6.907 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.405 -6.995 -0.206 1.00 0.00 H new ATOM 1280 N CYS A 80 3.143 -4.513 -1.150 1.00 0.00 N ATOM 1281 CA CYS A 80 1.854 -4.115 -0.602 1.00 0.00 C ATOM 1282 C CYS A 80 0.901 -5.307 -0.550 1.00 0.00 C ATOM 1283 O CYS A 80 0.740 -6.021 -1.537 1.00 0.00 O ATOM 1284 CB CYS A 80 1.240 -2.999 -1.446 1.00 0.00 C ATOM 1285 SG CYS A 80 1.689 -1.324 -0.901 1.00 0.00 S ATOM 0 H CYS A 80 3.114 -4.800 -2.128 1.00 0.00 H new ATOM 0 HA CYS A 80 2.013 -3.748 0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.552 -3.128 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.155 -3.098 -1.425 1.00 0.00 H new ATOM 1290 N ARG A 81 0.281 -5.519 0.603 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.686 -6.597 0.786 1.00 0.00 C ATOM 1292 C ARG A 81 -2.043 -6.016 1.142 1.00 0.00 C ATOM 1293 O ARG A 81 -2.118 -5.081 1.928 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.268 -7.498 1.942 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.995 -8.827 1.987 1.00 0.00 C ATOM 1296 CD ARG A 81 -1.073 -9.368 3.407 1.00 0.00 C ATOM 1297 NE ARG A 81 0.201 -9.334 4.117 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.782 -10.403 4.657 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.226 -11.605 4.535 1.00 0.00 N ATOM 1300 NH2 ARG A 81 1.908 -10.257 5.343 1.00 0.00 N ATOM 0 H ARG A 81 0.432 -4.951 1.437 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.732 -7.165 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.804 -7.685 1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.440 -6.970 2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.001 -8.707 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.481 -9.546 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.807 -8.789 3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.434 -10.396 3.376 1.00 0.00 H new ATOM 0 HE ARG A 81 0.676 -8.436 4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.651 -11.712 4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.677 -12.420 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.322 -9.331 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.360 -11.071 5.760 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.116 -6.565 0.592 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.451 -6.158 1.023 1.00 0.00 C ATOM 1316 C VAL A 82 -5.337 -7.368 1.257 1.00 0.00 C ATOM 1317 O VAL A 82 -5.250 -8.373 0.550 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.148 -5.189 0.044 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.161 -4.200 -0.508 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.863 -5.921 -1.073 1.00 0.00 C ATOM 0 H VAL A 82 -3.095 -7.278 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.305 -5.617 1.958 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.909 -4.648 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.669 -3.525 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.726 -3.625 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.371 -4.732 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.338 -5.198 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.144 -6.514 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.622 -6.578 -0.650 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.152 -7.267 2.281 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.098 -8.311 2.628 1.00 0.00 C ATOM 1332 C ASN A 83 -8.518 -7.774 2.566 1.00 0.00 C ATOM 1333 O ASN A 83 -8.853 -6.827 3.280 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.833 -8.828 4.053 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.385 -9.226 4.302 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.020 -10.391 4.195 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.547 -8.257 4.636 1.00 0.00 N ATOM 0 H ASN A 83 -6.181 -6.458 2.901 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.976 -9.126 1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.116 -8.056 4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.474 -9.689 4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.565 -8.470 4.813 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.883 -7.297 4.717 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.350 -8.356 1.713 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.754 -8.001 1.677 1.00 0.00 C ATOM 1346 C HIS A 84 -11.572 -9.253 1.403 1.00 0.00 C ATOM 1347 O HIS A 84 -11.026 -10.269 0.971 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.020 -6.949 0.602 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.267 -6.158 0.852 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.423 -6.422 0.164 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.492 -5.137 1.726 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.322 -5.568 0.624 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.804 -4.773 1.568 1.00 0.00 N ATOM 0 H HIS A 84 -9.075 -9.072 1.041 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.042 -7.576 2.639 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.170 -6.269 0.549 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.096 -7.440 -0.368 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.778 -4.701 2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.345 -5.518 0.281 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.293 -4.035 2.074 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.870 -9.179 1.653 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.749 -10.322 1.478 1.00 0.00 C ATOM 1363 C VAL A 85 -13.916 -10.675 0.004 1.00 0.00 C ATOM 1364 O VAL A 85 -14.344 -11.782 -0.329 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.141 -10.068 2.094 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.021 -9.727 3.570 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.876 -8.962 1.346 1.00 0.00 C ATOM 0 H VAL A 85 -13.339 -8.334 1.979 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.278 -11.157 1.996 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.723 -10.985 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.014 -9.552 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.548 -10.556 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.415 -8.829 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.854 -8.803 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.297 -8.040 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -16.003 -9.251 0.303 1.00 0.00 H new ATOM 1377 N THR A 86 -13.608 -9.729 -0.881 1.00 0.00 N ATOM 1378 CA THR A 86 -13.745 -9.960 -2.307 1.00 0.00 C ATOM 1379 C THR A 86 -12.618 -10.838 -2.822 1.00 0.00 C ATOM 1380 O THR A 86 -12.832 -11.740 -3.629 1.00 0.00 O ATOM 1381 CB THR A 86 -13.721 -8.634 -3.088 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.434 -8.018 -2.960 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.778 -7.682 -2.573 1.00 0.00 C ATOM 0 H THR A 86 -13.264 -8.802 -0.632 1.00 0.00 H new ATOM 0 HA THR A 86 -14.703 -10.457 -2.460 1.00 0.00 H new ATOM 0 HB THR A 86 -13.927 -8.855 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.850 -8.328 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.739 -6.753 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.763 -8.136 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.595 -7.470 -1.520 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.416 -10.553 -2.351 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.241 -11.272 -2.788 1.00 0.00 C ATOM 1393 C LEU A 87 -10.219 -12.640 -2.120 1.00 0.00 C ATOM 1394 O LEU A 87 -10.129 -12.738 -0.896 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.966 -10.474 -2.462 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.851 -9.119 -3.177 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.495 -8.473 -2.913 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -9.076 -9.289 -4.673 1.00 0.00 C ATOM 0 H LEU A 87 -11.232 -9.824 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.275 -11.405 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.926 -10.305 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.099 -11.081 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.622 -8.460 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.441 -7.515 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.370 -8.314 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.703 -9.128 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.991 -8.321 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.327 -9.969 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.071 -9.699 -4.847 1.00 0.00 H new ATOM 1410 N SER A 88 -10.334 -13.690 -2.923 1.00 0.00 N ATOM 1411 CA SER A 88 -10.389 -15.048 -2.399 1.00 0.00 C ATOM 1412 C SER A 88 -9.034 -15.440 -1.803 1.00 0.00 C ATOM 1413 O SER A 88 -8.915 -16.440 -1.092 1.00 0.00 O ATOM 1414 CB SER A 88 -10.816 -16.014 -3.509 1.00 0.00 C ATOM 1415 OG SER A 88 -9.891 -15.997 -4.584 1.00 0.00 O ATOM 0 H SER A 88 -10.391 -13.627 -3.939 1.00 0.00 H new ATOM 0 HA SER A 88 -11.129 -15.101 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.892 -17.024 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.806 -15.740 -3.873 1.00 0.00 H new ATOM 0 HG SER A 88 -10.185 -16.623 -5.278 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.027 -14.622 -2.094 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.699 -14.715 -1.510 1.00 0.00 C ATOM 1423 C GLN A 89 -6.205 -13.274 -1.404 1.00 0.00 C ATOM 1424 O GLN A 89 -6.300 -12.550 -2.399 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.736 -15.486 -2.430 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.331 -16.719 -3.086 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.464 -17.261 -4.206 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.240 -17.124 -4.188 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -6.093 -17.889 -5.186 1.00 0.00 N ATOM 0 H GLN A 89 -8.118 -13.856 -2.761 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.736 -15.236 -0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.383 -14.811 -3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.864 -15.786 -1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.472 -17.494 -2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.317 -16.476 -3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.109 -17.981 -5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.562 -18.281 -5.964 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.746 -12.791 -0.224 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.166 -11.443 -0.118 1.00 0.00 C ATOM 1440 C PRO A 90 -4.178 -11.146 -1.234 1.00 0.00 C ATOM 1441 O PRO A 90 -3.517 -12.045 -1.757 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.455 -11.489 1.221 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.335 -12.357 2.040 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.788 -13.460 1.103 1.00 0.00 C ATOM 0 HA PRO A 90 -5.921 -10.661 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.451 -11.904 1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.351 -10.495 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.799 -12.764 2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.185 -11.799 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.125 -14.324 1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.789 -13.815 1.347 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.040 -9.878 -1.562 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.320 -9.500 -2.745 1.00 0.00 C ATOM 1454 C LYS A 91 -2.007 -8.838 -2.395 1.00 0.00 C ATOM 1455 O LYS A 91 -1.969 -7.920 -1.579 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.143 -8.557 -3.586 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.574 -8.485 -4.968 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.488 -9.894 -5.510 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.442 -10.112 -6.670 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.127 -9.253 -7.840 1.00 0.00 N ATOM 0 H LYS A 91 -4.418 -9.099 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.117 -10.409 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.177 -8.899 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.152 -7.565 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.204 -7.868 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.587 -8.022 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.468 -10.096 -5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.715 -10.604 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.406 -11.159 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.461 -9.910 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.503 -9.692 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.561 -8.317 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.096 -9.148 -7.926 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.938 -9.311 -3.009 1.00 0.00 N ATOM 1475 CA ILE A 92 0.367 -8.703 -2.831 1.00 0.00 C ATOM 1476 C ILE A 92 0.861 -8.129 -4.146 1.00 0.00 C ATOM 1477 O ILE A 92 0.884 -8.815 -5.170 1.00 0.00 O ATOM 1478 CB ILE A 92 1.437 -9.690 -2.305 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.092 -10.202 -0.901 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.816 -9.039 -2.304 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.073 -11.318 -0.876 1.00 0.00 C ATOM 0 H ILE A 92 -0.948 -10.115 -3.636 1.00 0.00 H new ATOM 0 HA ILE A 92 0.232 -7.922 -2.083 1.00 0.00 H new ATOM 0 HB ILE A 92 1.451 -10.546 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.006 -10.550 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.716 -9.370 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.554 -9.750 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.079 -8.743 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.802 -8.159 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.112 -11.619 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.858 -10.971 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.452 -12.170 -1.440 1.00 0.00 H new ATOM 1493 N VAL A 93 1.239 -6.874 -4.108 1.00 0.00 N ATOM 1494 CA VAL A 93 1.861 -6.224 -5.238 1.00 0.00 C ATOM 1495 C VAL A 93 3.190 -5.645 -4.793 1.00 0.00 C ATOM 1496 O VAL A 93 3.253 -4.878 -3.831 1.00 0.00 O ATOM 1497 CB VAL A 93 0.964 -5.125 -5.842 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.699 -4.371 -6.942 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.321 -5.737 -6.381 1.00 0.00 C ATOM 0 H VAL A 93 1.124 -6.273 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 93 2.017 -6.964 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 93 0.711 -4.414 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.047 -3.601 -7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.594 -3.906 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.983 -5.066 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.948 -4.953 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.080 -6.467 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.857 -6.231 -5.570 1.00 0.00 H new ATOM 1509 N LYS A 94 4.242 -6.034 -5.478 1.00 0.00 N ATOM 1510 CA LYS A 94 5.583 -5.660 -5.080 1.00 0.00 C ATOM 1511 C LYS A 94 5.880 -4.242 -5.543 1.00 0.00 C ATOM 1512 O LYS A 94 5.354 -3.783 -6.561 1.00 0.00 O ATOM 1513 CB LYS A 94 6.598 -6.654 -5.658 1.00 0.00 C ATOM 1514 CG LYS A 94 7.330 -6.156 -6.889 1.00 0.00 C ATOM 1515 CD LYS A 94 8.357 -7.177 -7.344 1.00 0.00 C ATOM 1516 CE LYS A 94 9.805 -6.874 -6.941 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.251 -7.740 -5.819 1.00 0.00 N ATOM 0 H LYS A 94 4.195 -6.612 -6.317 1.00 0.00 H new ATOM 0 HA LYS A 94 5.662 -5.689 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.330 -6.896 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.080 -7.580 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.617 -5.966 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.822 -5.209 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.081 -8.151 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.309 -7.257 -8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.461 -7.022 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.891 -5.827 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.196 -7.441 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.581 -7.657 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.289 -8.729 -6.138 1.00 0.00 H new ATOM 1531 N TRP A 95 6.704 -3.546 -4.786 1.00 0.00 N ATOM 1532 CA TRP A 95 7.093 -2.199 -5.135 1.00 0.00 C ATOM 1533 C TRP A 95 8.342 -2.231 -6.000 1.00 0.00 C ATOM 1534 O TRP A 95 9.314 -2.923 -5.689 1.00 0.00 O ATOM 1535 CB TRP A 95 7.339 -1.357 -3.873 1.00 0.00 C ATOM 1536 CG TRP A 95 7.778 0.043 -4.170 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.990 1.077 -4.585 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.110 0.563 -4.075 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.749 2.207 -4.756 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.054 1.919 -4.449 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.344 0.012 -3.713 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.183 2.730 -4.468 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.464 0.818 -3.731 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.376 2.168 -4.107 1.00 0.00 C ATOM 0 H TRP A 95 7.118 -3.895 -3.921 1.00 0.00 H new ATOM 0 HA TRP A 95 6.281 -1.737 -5.697 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.424 -1.325 -3.282 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.097 -1.846 -3.261 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.925 1.015 -4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.399 3.115 -5.062 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.419 -1.026 -3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.120 3.768 -4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.422 0.405 -3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.269 2.775 -4.111 1.00 0.00 H new ATOM 1555 N ASP A 96 8.297 -1.492 -7.087 1.00 0.00 N ATOM 1556 CA ASP A 96 9.425 -1.384 -7.991 1.00 0.00 C ATOM 1557 C ASP A 96 9.619 0.066 -8.361 1.00 0.00 C ATOM 1558 O ASP A 96 8.695 0.875 -8.250 1.00 0.00 O ATOM 1559 CB ASP A 96 9.207 -2.208 -9.263 1.00 0.00 C ATOM 1560 CG ASP A 96 8.095 -1.657 -10.138 1.00 0.00 C ATOM 1561 OD1 ASP A 96 6.914 -1.997 -9.901 1.00 0.00 O ATOM 1562 OD2 ASP A 96 8.394 -0.881 -11.063 1.00 0.00 O ATOM 0 H ASP A 96 7.481 -0.950 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 96 10.309 -1.773 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.134 -2.236 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.971 -3.236 -8.988 1.00 0.00 H new ATOM 1567 N ARG A 97 10.820 0.404 -8.777 1.00 0.00 N ATOM 1568 CA ARG A 97 11.112 1.761 -9.159 1.00 0.00 C ATOM 1569 C ARG A 97 11.341 1.857 -10.652 1.00 0.00 C ATOM 1570 O ARG A 97 11.156 2.916 -11.250 1.00 0.00 O ATOM 1571 CB ARG A 97 12.330 2.260 -8.380 1.00 0.00 C ATOM 1572 CG ARG A 97 13.665 1.659 -8.814 1.00 0.00 C ATOM 1573 CD ARG A 97 14.500 2.651 -9.615 1.00 0.00 C ATOM 1574 NE ARG A 97 14.833 3.842 -8.832 1.00 0.00 N ATOM 1575 CZ ARG A 97 15.012 5.054 -9.357 1.00 0.00 C ATOM 1576 NH1 ARG A 97 14.922 5.236 -10.670 1.00 0.00 N ATOM 1577 NH2 ARG A 97 15.298 6.083 -8.568 1.00 0.00 N ATOM 0 H ARG A 97 11.605 -0.242 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 97 10.259 2.394 -8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.387 3.344 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.179 2.045 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.224 1.341 -7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.484 0.768 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.418 2.167 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.953 2.946 -10.510 1.00 0.00 H new ATOM 0 HE ARG A 97 14.934 3.738 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.715 4.446 -11.281 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.060 6.166 -11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.381 5.946 -7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.435 7.011 -8.969 1.00 0.00 H new ATOM 1591 N ASP A 98 11.754 0.750 -11.247 1.00 0.00 N ATOM 1592 CA ASP A 98 12.052 0.736 -12.672 1.00 0.00 C ATOM 1593 C ASP A 98 12.188 -0.686 -13.182 1.00 0.00 C ATOM 1594 O ASP A 98 11.987 -0.944 -14.367 1.00 0.00 O ATOM 1595 CB ASP A 98 13.356 1.497 -12.932 1.00 0.00 C ATOM 1596 CG ASP A 98 13.489 1.990 -14.359 1.00 0.00 C ATOM 1597 OD1 ASP A 98 13.833 1.188 -15.254 1.00 0.00 O ATOM 1598 OD2 ASP A 98 13.282 3.199 -14.588 1.00 0.00 O ATOM 0 H ASP A 98 11.890 -0.143 -10.773 1.00 0.00 H new ATOM 0 HA ASP A 98 11.229 1.218 -13.200 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.413 2.349 -12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.200 0.848 -12.699 1.00 0.00 H new ATOM 1603 N MET A 99 12.473 -1.607 -12.260 1.00 0.00 N ATOM 1604 CA MET A 99 12.838 -2.979 -12.607 1.00 0.00 C ATOM 1605 C MET A 99 13.812 -3.026 -13.783 1.00 0.00 C ATOM 1606 CB MET A 99 11.576 -3.768 -12.914 1.00 0.00 C ATOM 1607 CG MET A 99 10.578 -3.679 -11.785 1.00 0.00 C ATOM 1608 SD MET A 99 8.935 -4.279 -12.245 1.00 0.00 S ATOM 1609 CE MET A 99 8.507 -3.134 -13.558 1.00 0.00 C ATOM 0 H MET A 99 12.457 -1.423 -11.257 1.00 0.00 H new ATOM 0 HA MET A 99 13.350 -3.429 -11.757 1.00 0.00 H new ATOM 0 HB2 MET A 99 11.124 -3.390 -13.831 1.00 0.00 H new ATOM 0 HB3 MET A 99 11.833 -4.812 -13.092 1.00 0.00 H new ATOM 0 HG2 MET A 99 10.945 -4.256 -10.937 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.501 -2.643 -11.456 1.00 0.00 H new ATOM 0 HE1 MET A 99 7.423 -3.038 -13.618 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.947 -2.159 -13.348 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.891 -3.509 -14.507 1.00 0.00 H new TER 1619 MET A 99