USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 742 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 15 THR OG1 : rot 34:sc= 0.0176 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0.0204 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 170:sc= 0.0506 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 16:sc= 0.557 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.054 USER MOD Single : A 23 THR OG1 : rot -170:sc=-0.00412 USER MOD Single : A 26 MET CE :methyl -142:sc= -1.36 (180deg=-2.33) USER MOD Single : A 33 HIS : no HD1:sc=-0.00593 X(o=-0.0059,f=-0.0059) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -11:sc= 0.299 USER MOD Single : A 58 ASN : amide:sc= -2.99! K(o=-3!,f=-2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0049) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc=-0.00636 (180deg=-0.0561) USER MOD Single : A 70 THR OG1 : rot 27:sc= 0.151 USER MOD Single : A 74 THR OG1 : rot -50:sc= 0.0789 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.497 K(o=-0.5,f=-1) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00816 USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= 0.741 (180deg=-1.56) USER MOD Single : A 95 TYR OH : rot 9:sc= 0.153 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.5 K(o=-1.5,f=-7.7!) USER MOD Single : A 103 LYS NZ :NH3+ 142:sc= 0.171 (180deg=-0.215) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.370 -2.722 -1.124 1.00 0.00 N ATOM 60 CA GLY A 7 -20.308 -1.769 -0.561 1.00 0.00 C ATOM 61 C GLY A 7 -19.639 -0.471 -0.151 1.00 0.00 C ATOM 62 O GLY A 7 -20.185 0.612 -0.365 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.089 -1.557 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.796 -2.213 0.307 1.00 0.00 H new ATOM 66 N THR A 8 -18.455 -0.579 0.442 1.00 0.00 N ATOM 67 CA THR A 8 -17.712 0.594 0.886 1.00 0.00 C ATOM 68 C THR A 8 -16.773 1.095 -0.205 1.00 0.00 C ATOM 69 O THR A 8 -16.614 0.454 -1.244 1.00 0.00 O ATOM 70 CB THR A 8 -16.893 0.293 2.155 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.413 -1.056 2.120 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.734 0.505 3.405 1.00 0.00 C ATOM 0 H THR A 8 -17.989 -1.468 0.626 1.00 0.00 H new ATOM 0 HA THR A 8 -18.447 1.367 1.112 1.00 0.00 H new ATOM 0 HB THR A 8 -16.046 0.979 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.769 -1.193 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.134 0.286 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 8 -18.073 1.540 3.444 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.598 -0.159 3.379 1.00 0.00 H new ATOM 80 N SER A 9 -16.151 2.244 0.039 1.00 0.00 N ATOM 81 CA SER A 9 -15.228 2.833 -0.925 1.00 0.00 C ATOM 82 C SER A 9 -13.783 2.496 -0.570 1.00 0.00 C ATOM 83 O SER A 9 -13.428 2.320 0.595 1.00 0.00 O ATOM 84 CB SER A 9 -15.412 4.351 -0.976 1.00 0.00 C ATOM 85 OG SER A 9 -16.760 4.693 -1.245 1.00 0.00 O ATOM 0 H SER A 9 -16.269 2.785 0.895 1.00 0.00 H new ATOM 0 HA SER A 9 -15.450 2.414 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.105 4.790 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.766 4.773 -1.746 1.00 0.00 H new ATOM 0 HG SER A 9 -16.851 5.668 -1.271 1.00 0.00 H new ATOM 91 N PRO A 10 -12.929 2.403 -1.600 1.00 0.00 N ATOM 92 CA PRO A 10 -11.508 2.086 -1.423 1.00 0.00 C ATOM 93 C PRO A 10 -10.739 3.224 -0.760 1.00 0.00 C ATOM 94 O PRO A 10 -11.244 4.335 -0.598 1.00 0.00 O ATOM 95 CB PRO A 10 -11.013 1.869 -2.855 1.00 0.00 C ATOM 96 CG PRO A 10 -11.947 2.659 -3.704 1.00 0.00 C ATOM 97 CD PRO A 10 -13.283 2.600 -3.015 1.00 0.00 C ATOM 0 HA PRO A 10 -11.360 1.225 -0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.985 2.211 -2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.031 0.813 -3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.605 3.689 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.008 2.242 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.852 3.518 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.895 1.781 -3.394 1.00 0.00 H new ATOM 105 N PRO A 11 -9.488 2.943 -0.367 1.00 0.00 N ATOM 106 CA PRO A 11 -8.622 3.931 0.284 1.00 0.00 C ATOM 107 C PRO A 11 -8.179 5.033 -0.673 1.00 0.00 C ATOM 108 O PRO A 11 -7.550 4.765 -1.697 1.00 0.00 O ATOM 109 CB PRO A 11 -7.418 3.102 0.739 1.00 0.00 C ATOM 110 CG PRO A 11 -7.387 1.937 -0.189 1.00 0.00 C ATOM 111 CD PRO A 11 -8.822 1.640 -0.528 1.00 0.00 C ATOM 0 HA PRO A 11 -9.132 4.448 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.495 3.679 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.528 2.780 1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.814 2.168 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.911 1.076 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.924 1.260 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.245 0.888 0.138 1.00 0.00 H new ATOM 119 N THR A 12 -8.510 6.274 -0.332 1.00 0.00 N ATOM 120 CA THR A 12 -8.147 7.417 -1.160 1.00 0.00 C ATOM 121 C THR A 12 -6.943 8.154 -0.584 1.00 0.00 C ATOM 122 O THR A 12 -6.441 7.803 0.485 1.00 0.00 O ATOM 123 CB THR A 12 -9.320 8.405 -1.300 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.592 9.025 -0.038 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.569 7.695 -1.801 1.00 0.00 C ATOM 0 H THR A 12 -9.029 6.513 0.513 1.00 0.00 H new ATOM 0 HA THR A 12 -7.892 7.025 -2.145 1.00 0.00 H new ATOM 0 HB THR A 12 -9.039 9.168 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.338 9.653 -0.136 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.384 8.413 -1.892 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.368 7.249 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.851 6.914 -1.095 1.00 0.00 H new ATOM 133 N LEU A 13 -6.485 9.176 -1.297 1.00 0.00 N ATOM 134 CA LEU A 13 -5.339 9.964 -0.855 1.00 0.00 C ATOM 135 C LEU A 13 -4.122 9.074 -0.626 1.00 0.00 C ATOM 136 O LEU A 13 -3.430 9.198 0.386 1.00 0.00 O ATOM 137 CB LEU A 13 -5.680 10.722 0.429 1.00 0.00 C ATOM 138 CG LEU A 13 -6.298 12.108 0.247 1.00 0.00 C ATOM 139 CD1 LEU A 13 -6.755 12.670 1.584 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.305 13.051 -0.418 1.00 0.00 C ATOM 0 H LEU A 13 -6.889 9.479 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.099 10.682 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.369 10.113 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.769 10.827 1.018 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.170 12.013 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.192 13.657 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.500 12.006 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.901 12.750 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.762 14.033 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.414 13.139 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.027 12.656 -1.395 1.00 0.00 H new ATOM 152 N LEU A 14 -3.865 8.177 -1.571 1.00 0.00 N ATOM 153 CA LEU A 14 -2.729 7.267 -1.474 1.00 0.00 C ATOM 154 C LEU A 14 -1.461 7.918 -2.018 1.00 0.00 C ATOM 155 O LEU A 14 -1.321 8.117 -3.225 1.00 0.00 O ATOM 156 CB LEU A 14 -3.020 5.974 -2.238 1.00 0.00 C ATOM 157 CG LEU A 14 -2.004 4.845 -2.057 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.634 5.274 -2.557 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.933 4.420 -0.598 1.00 0.00 C ATOM 0 H LEU A 14 -4.428 8.060 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.572 7.033 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.000 5.607 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.086 6.210 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.331 3.990 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.075 4.458 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.696 5.527 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.298 6.145 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.205 3.616 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.630 5.270 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.913 4.069 -0.273 1.00 0.00 H new ATOM 171 N THR A 15 -0.538 8.245 -1.119 1.00 0.00 N ATOM 172 CA THR A 15 0.719 8.872 -1.508 1.00 0.00 C ATOM 173 C THR A 15 1.900 8.226 -0.794 1.00 0.00 C ATOM 174 O THR A 15 1.740 7.610 0.261 1.00 0.00 O ATOM 175 CB THR A 15 0.712 10.382 -1.201 1.00 0.00 C ATOM 176 OG1 THR A 15 1.748 11.037 -1.941 1.00 0.00 O ATOM 177 CG2 THR A 15 0.908 10.633 0.286 1.00 0.00 C ATOM 0 H THR A 15 -0.637 8.086 -0.116 1.00 0.00 H new ATOM 0 HA THR A 15 0.825 8.727 -2.583 1.00 0.00 H new ATOM 0 HB THR A 15 -0.256 10.786 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.866 10.589 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.899 11.706 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.102 10.158 0.845 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.864 10.215 0.603 1.00 0.00 H new ATOM 185 N VAL A 16 3.087 8.369 -1.374 1.00 0.00 N ATOM 186 CA VAL A 16 4.297 7.800 -0.792 1.00 0.00 C ATOM 187 C VAL A 16 4.792 8.642 0.379 1.00 0.00 C ATOM 188 O VAL A 16 5.596 9.558 0.201 1.00 0.00 O ATOM 189 CB VAL A 16 5.421 7.682 -1.837 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.641 7.002 -1.235 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.931 6.928 -3.064 1.00 0.00 C ATOM 0 H VAL A 16 3.237 8.874 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 16 4.038 6.803 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 16 5.711 8.686 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.425 6.928 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.004 7.587 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.369 6.003 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.739 6.854 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.612 5.927 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.090 7.462 -3.507 1.00 0.00 H new ATOM 201 N ASP A 17 4.307 8.327 1.574 1.00 0.00 N ATOM 202 CA ASP A 17 4.702 9.053 2.776 1.00 0.00 C ATOM 203 C ASP A 17 6.213 9.260 2.814 1.00 0.00 C ATOM 204 O ASP A 17 6.694 10.392 2.865 1.00 0.00 O ATOM 205 CB ASP A 17 4.246 8.300 4.026 1.00 0.00 C ATOM 206 CG ASP A 17 4.057 9.218 5.218 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.039 9.875 5.623 1.00 0.00 O ATOM 208 OD2 ASP A 17 2.927 9.280 5.746 1.00 0.00 O ATOM 0 H ASP A 17 3.639 7.573 1.737 1.00 0.00 H new ATOM 0 HA ASP A 17 4.220 10.030 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.308 7.786 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.981 7.534 4.274 1.00 0.00 H new ATOM 213 N SER A 18 6.956 8.158 2.790 1.00 0.00 N ATOM 214 CA SER A 18 8.413 8.218 2.828 1.00 0.00 C ATOM 215 C SER A 18 9.024 6.982 2.175 1.00 0.00 C ATOM 216 O SER A 18 8.320 6.028 1.843 1.00 0.00 O ATOM 217 CB SER A 18 8.903 8.341 4.272 1.00 0.00 C ATOM 218 OG SER A 18 8.723 9.659 4.761 1.00 0.00 O ATOM 0 H SER A 18 6.574 7.213 2.744 1.00 0.00 H new ATOM 0 HA SER A 18 8.730 9.098 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.361 7.638 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.958 8.071 4.326 1.00 0.00 H new ATOM 0 HG SER A 18 8.098 10.141 4.180 1.00 0.00 H new ATOM 224 N VAL A 19 10.341 7.006 1.994 1.00 0.00 N ATOM 225 CA VAL A 19 11.049 5.888 1.382 1.00 0.00 C ATOM 226 C VAL A 19 12.489 5.812 1.878 1.00 0.00 C ATOM 227 O VAL A 19 13.176 6.829 1.984 1.00 0.00 O ATOM 228 CB VAL A 19 11.052 5.999 -0.154 1.00 0.00 C ATOM 229 CG1 VAL A 19 11.780 4.815 -0.774 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.630 6.097 -0.684 1.00 0.00 C ATOM 0 H VAL A 19 10.939 7.788 2.263 1.00 0.00 H new ATOM 0 HA VAL A 19 10.519 4.981 1.672 1.00 0.00 H new ATOM 0 HB VAL A 19 11.583 6.909 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.772 4.911 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.810 4.795 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.280 3.890 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.651 6.175 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.072 5.207 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.146 6.980 -0.267 1.00 0.00 H new ATOM 240 N THR A 20 12.941 4.600 2.181 1.00 0.00 N ATOM 241 CA THR A 20 14.299 4.390 2.666 1.00 0.00 C ATOM 242 C THR A 20 14.966 3.222 1.949 1.00 0.00 C ATOM 243 O THR A 20 14.347 2.180 1.732 1.00 0.00 O ATOM 244 CB THR A 20 14.319 4.124 4.184 1.00 0.00 C ATOM 245 OG1 THR A 20 13.579 5.141 4.869 1.00 0.00 O ATOM 246 CG2 THR A 20 15.746 4.088 4.708 1.00 0.00 C ATOM 0 H THR A 20 12.386 3.748 2.099 1.00 0.00 H new ATOM 0 HA THR A 20 14.853 5.305 2.457 1.00 0.00 H new ATOM 0 HB THR A 20 13.857 3.154 4.367 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.595 4.964 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.735 3.899 5.781 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.298 3.294 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.229 5.045 4.513 1.00 0.00 H new ATOM 254 N ASP A 21 16.230 3.401 1.583 1.00 0.00 N ATOM 255 CA ASP A 21 16.981 2.360 0.891 1.00 0.00 C ATOM 256 C ASP A 21 16.636 0.982 1.445 1.00 0.00 C ATOM 257 O ASP A 21 16.673 -0.017 0.725 1.00 0.00 O ATOM 258 CB ASP A 21 18.484 2.614 1.021 1.00 0.00 C ATOM 259 CG ASP A 21 19.008 3.547 -0.052 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.452 3.538 -1.170 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.977 4.286 0.225 1.00 0.00 O ATOM 0 H ASP A 21 16.757 4.258 1.754 1.00 0.00 H new ATOM 0 HA ASP A 21 16.705 2.387 -0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.694 3.039 2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.016 1.664 0.964 1.00 0.00 H new ATOM 266 N THR A 22 16.301 0.933 2.731 1.00 0.00 N ATOM 267 CA THR A 22 15.951 -0.323 3.382 1.00 0.00 C ATOM 268 C THR A 22 14.487 -0.677 3.145 1.00 0.00 C ATOM 269 O THR A 22 14.175 -1.692 2.522 1.00 0.00 O ATOM 270 CB THR A 22 16.213 -0.262 4.899 1.00 0.00 C ATOM 271 OG1 THR A 22 15.557 0.879 5.464 1.00 0.00 O ATOM 272 CG2 THR A 22 17.705 -0.189 5.187 1.00 0.00 C ATOM 0 H THR A 22 16.265 1.749 3.342 1.00 0.00 H new ATOM 0 HA THR A 22 16.584 -1.093 2.942 1.00 0.00 H new ATOM 0 HB THR A 22 15.815 -1.170 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.727 0.910 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.866 -0.147 6.264 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.198 -1.072 4.781 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.122 0.705 4.723 1.00 0.00 H new ATOM 280 N THR A 23 13.590 0.168 3.646 1.00 0.00 N ATOM 281 CA THR A 23 12.159 -0.056 3.489 1.00 0.00 C ATOM 282 C THR A 23 11.459 1.200 2.983 1.00 0.00 C ATOM 283 O THR A 23 12.028 2.292 3.003 1.00 0.00 O ATOM 284 CB THR A 23 11.510 -0.492 4.816 1.00 0.00 C ATOM 285 OG1 THR A 23 11.587 0.571 5.772 1.00 0.00 O ATOM 286 CG2 THR A 23 12.195 -1.732 5.372 1.00 0.00 C ATOM 0 H THR A 23 13.830 1.013 4.164 1.00 0.00 H new ATOM 0 HA THR A 23 12.042 -0.855 2.756 1.00 0.00 H new ATOM 0 HB THR A 23 10.464 -0.730 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.319 0.238 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.719 -2.021 6.309 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.109 -2.548 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.248 -1.516 5.551 1.00 0.00 H new ATOM 294 N VAL A 24 10.220 1.039 2.529 1.00 0.00 N ATOM 295 CA VAL A 24 9.440 2.161 2.019 1.00 0.00 C ATOM 296 C VAL A 24 8.174 2.369 2.842 1.00 0.00 C ATOM 297 O VAL A 24 7.664 1.438 3.465 1.00 0.00 O ATOM 298 CB VAL A 24 9.052 1.950 0.544 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.296 1.836 -0.325 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.174 0.717 0.395 1.00 0.00 C ATOM 0 H VAL A 24 9.735 0.142 2.504 1.00 0.00 H new ATOM 0 HA VAL A 24 10.070 3.047 2.098 1.00 0.00 H new ATOM 0 HB VAL A 24 8.482 2.817 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.002 1.687 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.883 2.751 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.895 0.988 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.909 0.583 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.716 -0.161 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.266 0.843 0.985 1.00 0.00 H new ATOM 310 N THR A 25 7.668 3.599 2.839 1.00 0.00 N ATOM 311 CA THR A 25 6.461 3.931 3.585 1.00 0.00 C ATOM 312 C THR A 25 5.353 4.409 2.653 1.00 0.00 C ATOM 313 O THR A 25 5.612 5.103 1.671 1.00 0.00 O ATOM 314 CB THR A 25 6.735 5.019 4.640 1.00 0.00 C ATOM 315 OG1 THR A 25 7.847 4.640 5.458 1.00 0.00 O ATOM 316 CG2 THR A 25 5.510 5.246 5.514 1.00 0.00 C ATOM 0 H THR A 25 8.076 4.382 2.328 1.00 0.00 H new ATOM 0 HA THR A 25 6.139 3.020 4.089 1.00 0.00 H new ATOM 0 HB THR A 25 6.968 5.948 4.119 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.015 5.338 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.727 6.019 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.673 5.563 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.251 4.319 6.025 1.00 0.00 H new ATOM 324 N MET A 26 4.118 4.034 2.969 1.00 0.00 N ATOM 325 CA MET A 26 2.970 4.427 2.161 1.00 0.00 C ATOM 326 C MET A 26 1.779 4.785 3.044 1.00 0.00 C ATOM 327 O MET A 26 1.307 3.961 3.829 1.00 0.00 O ATOM 328 CB MET A 26 2.586 3.300 1.200 1.00 0.00 C ATOM 329 CG MET A 26 3.707 2.902 0.253 1.00 0.00 C ATOM 330 SD MET A 26 4.168 4.230 -0.876 1.00 0.00 S ATOM 331 CE MET A 26 2.597 4.562 -1.669 1.00 0.00 C ATOM 0 H MET A 26 3.887 3.459 3.779 1.00 0.00 H new ATOM 0 HA MET A 26 3.249 5.308 1.584 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.283 2.427 1.779 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.720 3.611 0.615 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.580 2.605 0.834 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.397 2.031 -0.324 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.761 4.781 -2.724 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.951 3.689 -1.576 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.122 5.418 -1.190 1.00 0.00 H new ATOM 341 N ARG A 27 1.299 6.017 2.913 1.00 0.00 N ATOM 342 CA ARG A 27 0.164 6.483 3.701 1.00 0.00 C ATOM 343 C ARG A 27 -1.111 6.495 2.863 1.00 0.00 C ATOM 344 O ARG A 27 -1.062 6.648 1.643 1.00 0.00 O ATOM 345 CB ARG A 27 0.439 7.884 4.250 1.00 0.00 C ATOM 346 CG ARG A 27 0.305 8.984 3.210 1.00 0.00 C ATOM 347 CD ARG A 27 0.155 10.350 3.860 1.00 0.00 C ATOM 348 NE ARG A 27 -0.537 11.298 2.991 1.00 0.00 N ATOM 349 CZ ARG A 27 -0.512 12.614 3.170 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.168 13.135 4.182 1.00 0.00 N ATOM 351 NH2 ARG A 27 -1.168 13.411 2.336 1.00 0.00 N ATOM 0 H ARG A 27 1.678 6.711 2.269 1.00 0.00 H new ATOM 0 HA ARG A 27 0.024 5.794 4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.250 8.085 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.446 7.910 4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.182 8.982 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.560 8.784 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.395 10.248 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.141 10.742 4.111 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.069 10.929 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.673 12.525 4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.186 14.146 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.692 13.013 1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.148 14.421 2.474 1.00 0.00 H new ATOM 365 N TRP A 28 -2.250 6.332 3.527 1.00 0.00 N ATOM 366 CA TRP A 28 -3.538 6.324 2.843 1.00 0.00 C ATOM 367 C TRP A 28 -4.655 6.769 3.781 1.00 0.00 C ATOM 368 O TRP A 28 -4.471 6.824 4.997 1.00 0.00 O ATOM 369 CB TRP A 28 -3.840 4.927 2.298 1.00 0.00 C ATOM 370 CG TRP A 28 -4.045 3.902 3.372 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.204 3.640 4.044 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.062 3.003 3.897 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.001 2.632 4.956 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.696 2.224 4.885 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.709 2.779 3.628 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.021 1.240 5.603 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.041 1.802 4.342 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.697 1.042 5.319 1.00 0.00 C ATOM 0 H TRP A 28 -2.308 6.204 4.537 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.485 7.027 2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.733 4.973 1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.019 4.610 1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.142 4.150 3.883 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.708 2.250 5.584 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.195 3.359 2.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.525 0.654 6.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.005 1.621 4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.147 0.285 5.859 1.00 0.00 H new ATOM 389 N ARG A 29 -5.812 7.086 3.209 1.00 0.00 N ATOM 390 CA ARG A 29 -6.957 7.527 3.995 1.00 0.00 C ATOM 391 C ARG A 29 -8.154 6.606 3.775 1.00 0.00 C ATOM 392 O ARG A 29 -8.438 6.172 2.659 1.00 0.00 O ATOM 393 CB ARG A 29 -7.332 8.964 3.627 1.00 0.00 C ATOM 394 CG ARG A 29 -8.812 9.269 3.793 1.00 0.00 C ATOM 395 CD ARG A 29 -9.042 10.725 4.167 1.00 0.00 C ATOM 396 NE ARG A 29 -9.223 11.570 2.990 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.651 12.827 3.046 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.939 13.380 4.215 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.790 13.532 1.931 1.00 0.00 N ATOM 0 H ARG A 29 -5.981 7.045 2.204 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.679 7.489 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.756 9.651 4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.045 9.152 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.337 9.043 2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.234 8.623 4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.922 10.801 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.194 11.089 4.747 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.009 11.174 2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.832 12.841 5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.267 14.345 4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.568 13.109 1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.119 14.497 1.975 1.00 0.00 H new ATOM 413 N PRO A 30 -8.873 6.300 4.865 1.00 0.00 N ATOM 414 CA PRO A 30 -10.051 5.428 4.818 1.00 0.00 C ATOM 415 C PRO A 30 -11.229 6.083 4.104 1.00 0.00 C ATOM 416 O PRO A 30 -11.245 7.290 3.860 1.00 0.00 O ATOM 417 CB PRO A 30 -10.381 5.198 6.295 1.00 0.00 C ATOM 418 CG PRO A 30 -9.822 6.386 6.998 1.00 0.00 C ATOM 419 CD PRO A 30 -8.593 6.783 6.228 1.00 0.00 C ATOM 0 HA PRO A 30 -9.857 4.510 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.456 5.115 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.933 4.274 6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.546 7.200 7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.574 6.147 8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.437 7.862 6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.695 6.324 6.640 1.00 0.00 H new ATOM 427 N PRO A 31 -12.240 5.271 3.761 1.00 0.00 N ATOM 428 CA PRO A 31 -13.441 5.750 3.072 1.00 0.00 C ATOM 429 C PRO A 31 -14.315 6.621 3.968 1.00 0.00 C ATOM 430 O PRO A 31 -14.503 6.323 5.147 1.00 0.00 O ATOM 431 CB PRO A 31 -14.175 4.460 2.700 1.00 0.00 C ATOM 432 CG PRO A 31 -13.711 3.458 3.700 1.00 0.00 C ATOM 433 CD PRO A 31 -12.288 3.822 4.021 1.00 0.00 C ATOM 0 HA PRO A 31 -13.196 6.379 2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.256 4.593 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.934 4.146 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.332 3.484 4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.774 2.447 3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.038 3.591 5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.582 3.277 3.393 1.00 0.00 H new ATOM 441 N ASP A 32 -14.847 7.698 3.401 1.00 0.00 N ATOM 442 CA ASP A 32 -15.704 8.612 4.148 1.00 0.00 C ATOM 443 C ASP A 32 -16.961 7.900 4.638 1.00 0.00 C ATOM 444 O ASP A 32 -17.346 8.027 5.801 1.00 0.00 O ATOM 445 CB ASP A 32 -16.087 9.811 3.280 1.00 0.00 C ATOM 446 CG ASP A 32 -16.935 10.820 4.028 1.00 0.00 C ATOM 447 OD1 ASP A 32 -16.366 11.613 4.808 1.00 0.00 O ATOM 448 OD2 ASP A 32 -18.168 10.819 3.833 1.00 0.00 O ATOM 0 H ASP A 32 -14.700 7.960 2.426 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.147 8.966 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.181 10.298 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.632 9.462 2.403 1.00 0.00 H new ATOM 453 N HIS A 33 -17.598 7.153 3.743 1.00 0.00 N ATOM 454 CA HIS A 33 -18.813 6.421 4.083 1.00 0.00 C ATOM 455 C HIS A 33 -18.485 4.996 4.518 1.00 0.00 C ATOM 456 O HIS A 33 -17.592 4.357 3.961 1.00 0.00 O ATOM 457 CB HIS A 33 -19.770 6.396 2.891 1.00 0.00 C ATOM 458 CG HIS A 33 -20.965 5.518 3.101 1.00 0.00 C ATOM 459 ND1 HIS A 33 -21.179 4.355 2.390 1.00 0.00 N ATOM 460 CD2 HIS A 33 -22.013 5.636 3.949 1.00 0.00 C ATOM 461 CE1 HIS A 33 -22.308 3.798 2.791 1.00 0.00 C ATOM 462 NE2 HIS A 33 -22.834 4.556 3.737 1.00 0.00 N ATOM 0 H HIS A 33 -17.293 7.038 2.776 1.00 0.00 H new ATOM 0 HA HIS A 33 -19.296 6.934 4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -20.107 7.412 2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.229 6.055 2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -22.174 6.432 4.661 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.729 2.879 2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -23.708 4.369 4.229 1.00 0.00 H new ATOM 471 N ILE A 34 -19.213 4.504 5.515 1.00 0.00 N ATOM 472 CA ILE A 34 -18.999 3.155 6.023 1.00 0.00 C ATOM 473 C ILE A 34 -20.321 2.411 6.182 1.00 0.00 C ATOM 474 O ILE A 34 -21.172 2.800 6.981 1.00 0.00 O ATOM 475 CB ILE A 34 -18.266 3.172 7.377 1.00 0.00 C ATOM 476 CG1 ILE A 34 -17.071 4.126 7.323 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.815 1.769 7.754 1.00 0.00 C ATOM 478 CD1 ILE A 34 -16.066 3.774 6.248 1.00 0.00 C ATOM 0 H ILE A 34 -19.956 5.020 5.987 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.379 2.637 5.291 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.956 3.528 8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.433 5.140 7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.571 4.124 8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.299 1.798 8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.684 1.115 7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.139 1.386 6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.246 4.492 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.676 2.772 6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.551 3.804 5.272 1.00 0.00 H new ATOM 517 N GLY A 38 -19.036 -2.389 8.064 1.00 0.00 N ATOM 518 CA GLY A 38 -17.979 -1.543 8.587 1.00 0.00 C ATOM 519 C GLY A 38 -16.668 -1.731 7.849 1.00 0.00 C ATOM 520 O GLY A 38 -16.655 -2.115 6.679 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.285 -0.499 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.832 -1.762 9.645 1.00 0.00 H new ATOM 524 N LEU A 39 -15.562 -1.458 8.532 1.00 0.00 N ATOM 525 CA LEU A 39 -14.239 -1.597 7.934 1.00 0.00 C ATOM 526 C LEU A 39 -13.315 -2.406 8.838 1.00 0.00 C ATOM 527 O LEU A 39 -13.286 -2.204 10.053 1.00 0.00 O ATOM 528 CB LEU A 39 -13.632 -0.219 7.666 1.00 0.00 C ATOM 529 CG LEU A 39 -12.181 -0.208 7.181 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.102 -0.635 5.724 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.567 1.172 7.368 1.00 0.00 C ATOM 0 H LEU A 39 -15.555 -1.139 9.501 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.348 -2.129 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.247 0.288 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.692 0.367 8.583 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.613 -0.921 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.062 -0.621 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.502 -1.643 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.685 0.053 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.535 1.161 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.137 1.904 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.589 1.440 8.424 1.00 0.00 H new ATOM 543 N ASP A 40 -12.560 -3.319 8.239 1.00 0.00 N ATOM 544 CA ASP A 40 -11.632 -4.157 8.989 1.00 0.00 C ATOM 545 C ASP A 40 -10.207 -3.990 8.469 1.00 0.00 C ATOM 546 O ASP A 40 -9.805 -4.648 7.511 1.00 0.00 O ATOM 547 CB ASP A 40 -12.051 -5.625 8.903 1.00 0.00 C ATOM 548 CG ASP A 40 -13.536 -5.818 9.142 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.339 -5.208 8.405 1.00 0.00 O ATOM 550 OD2 ASP A 40 -13.895 -6.577 10.066 1.00 0.00 O ATOM 0 H ASP A 40 -12.572 -3.498 7.235 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.659 -3.841 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.790 -6.017 7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.490 -6.204 9.637 1.00 0.00 H new ATOM 555 N GLY A 41 -9.449 -3.104 9.108 1.00 0.00 N ATOM 556 CA GLY A 41 -8.078 -2.866 8.694 1.00 0.00 C ATOM 557 C GLY A 41 -7.935 -2.769 7.188 1.00 0.00 C ATOM 558 O GLY A 41 -8.917 -2.550 6.478 1.00 0.00 O ATOM 0 H GLY A 41 -9.759 -2.547 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.719 -1.943 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.445 -3.672 9.065 1.00 0.00 H new ATOM 562 N TYR A 42 -6.711 -2.930 6.700 1.00 0.00 N ATOM 563 CA TYR A 42 -6.442 -2.855 5.269 1.00 0.00 C ATOM 564 C TYR A 42 -5.443 -3.928 4.845 1.00 0.00 C ATOM 565 O TYR A 42 -5.000 -4.737 5.660 1.00 0.00 O ATOM 566 CB TYR A 42 -5.907 -1.470 4.901 1.00 0.00 C ATOM 567 CG TYR A 42 -6.592 -0.342 5.638 1.00 0.00 C ATOM 568 CD1 TYR A 42 -7.747 0.243 5.134 1.00 0.00 C ATOM 569 CD2 TYR A 42 -6.084 0.140 6.838 1.00 0.00 C ATOM 570 CE1 TYR A 42 -8.376 1.275 5.803 1.00 0.00 C ATOM 571 CE2 TYR A 42 -6.707 1.171 7.515 1.00 0.00 C ATOM 572 CZ TYR A 42 -7.852 1.736 6.993 1.00 0.00 C ATOM 573 OH TYR A 42 -8.476 2.763 7.664 1.00 0.00 O ATOM 0 H TYR A 42 -5.888 -3.113 7.274 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.379 -3.027 4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -4.838 -1.435 5.112 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.025 -1.317 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.160 -0.115 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.187 -0.299 7.249 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.273 1.718 5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.300 1.532 8.448 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.980 2.967 8.484 1.00 0.00 H new ATOM 583 N VAL A 43 -5.093 -3.928 3.563 1.00 0.00 N ATOM 584 CA VAL A 43 -4.146 -4.899 3.029 1.00 0.00 C ATOM 585 C VAL A 43 -3.201 -4.249 2.023 1.00 0.00 C ATOM 586 O VAL A 43 -3.628 -3.476 1.164 1.00 0.00 O ATOM 587 CB VAL A 43 -4.871 -6.075 2.349 1.00 0.00 C ATOM 588 CG1 VAL A 43 -3.867 -7.035 1.729 1.00 0.00 C ATOM 589 CG2 VAL A 43 -5.764 -6.797 3.347 1.00 0.00 C ATOM 0 H VAL A 43 -5.451 -3.266 2.875 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.570 -5.277 3.874 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.500 -5.680 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.398 -7.860 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.272 -6.508 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.210 -7.427 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.269 -7.625 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.157 -7.181 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.506 -6.102 3.740 1.00 0.00 H new ATOM 599 N LEU A 44 -1.917 -4.569 2.135 1.00 0.00 N ATOM 600 CA LEU A 44 -0.910 -4.017 1.235 1.00 0.00 C ATOM 601 C LEU A 44 -0.324 -5.105 0.341 1.00 0.00 C ATOM 602 O LEU A 44 -0.022 -6.204 0.803 1.00 0.00 O ATOM 603 CB LEU A 44 0.205 -3.343 2.037 1.00 0.00 C ATOM 604 CG LEU A 44 1.112 -2.391 1.256 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.555 -0.976 1.290 1.00 0.00 C ATOM 606 CD2 LEU A 44 2.527 -2.424 1.816 1.00 0.00 C ATOM 0 H LEU A 44 -1.548 -5.208 2.840 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.393 -3.273 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.250 -2.788 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.826 -4.120 2.483 1.00 0.00 H new ATOM 0 HG LEU A 44 1.146 -2.721 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.213 -0.312 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.439 -0.965 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.491 -0.635 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.159 -1.741 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.511 -2.119 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.925 -3.436 1.739 1.00 0.00 H new ATOM 618 N GLU A 45 -0.164 -4.789 -0.940 1.00 0.00 N ATOM 619 CA GLU A 45 0.388 -5.740 -1.898 1.00 0.00 C ATOM 620 C GLU A 45 1.255 -5.028 -2.933 1.00 0.00 C ATOM 621 O GLU A 45 0.862 -4.002 -3.488 1.00 0.00 O ATOM 622 CB GLU A 45 -0.738 -6.504 -2.598 1.00 0.00 C ATOM 623 CG GLU A 45 -1.425 -7.525 -1.707 1.00 0.00 C ATOM 624 CD GLU A 45 -2.874 -7.752 -2.092 1.00 0.00 C ATOM 625 OE1 GLU A 45 -3.130 -8.078 -3.270 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.752 -7.605 -1.216 1.00 0.00 O ATOM 0 H GLU A 45 -0.409 -3.882 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 45 1.012 -6.447 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.480 -5.791 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.332 -7.012 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.886 -8.471 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.376 -7.189 -0.671 1.00 0.00 H new ATOM 633 N TYR A 46 2.436 -5.581 -3.186 1.00 0.00 N ATOM 634 CA TYR A 46 3.361 -4.998 -4.152 1.00 0.00 C ATOM 635 C TYR A 46 3.794 -6.035 -5.184 1.00 0.00 C ATOM 636 O TYR A 46 3.935 -7.218 -4.871 1.00 0.00 O ATOM 637 CB TYR A 46 4.588 -4.431 -3.436 1.00 0.00 C ATOM 638 CG TYR A 46 5.519 -5.493 -2.896 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.217 -6.180 -1.727 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.701 -5.809 -3.555 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.065 -7.150 -1.230 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.554 -6.779 -3.066 1.00 0.00 C ATOM 643 CZ TYR A 46 7.232 -7.446 -1.903 1.00 0.00 C ATOM 644 OH TYR A 46 8.079 -8.413 -1.411 1.00 0.00 O ATOM 0 H TYR A 46 2.776 -6.431 -2.736 1.00 0.00 H new ATOM 0 HA TYR A 46 2.845 -4.189 -4.670 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.139 -3.794 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.257 -3.797 -2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.304 -5.952 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.957 -5.287 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.816 -7.674 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.468 -7.014 -3.592 1.00 0.00 H new ATOM 0 HH TYR A 46 8.855 -8.500 -2.003 1.00 0.00 H new ATOM 654 N CYS A 47 4.005 -5.581 -6.415 1.00 0.00 N ATOM 655 CA CYS A 47 4.423 -6.468 -7.495 1.00 0.00 C ATOM 656 C CYS A 47 5.831 -6.123 -7.968 1.00 0.00 C ATOM 657 O CYS A 47 6.026 -5.182 -8.737 1.00 0.00 O ATOM 658 CB CYS A 47 3.442 -6.377 -8.665 1.00 0.00 C ATOM 659 SG CYS A 47 3.662 -7.666 -9.914 1.00 0.00 S ATOM 0 H CYS A 47 3.894 -4.605 -6.690 1.00 0.00 H new ATOM 0 HA CYS A 47 4.428 -7.489 -7.113 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.425 -6.431 -8.277 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.550 -5.402 -9.141 1.00 0.00 H new ATOM 0 HG CYS A 47 2.786 -7.506 -10.861 1.00 0.00 H new ATOM 665 N PHE A 48 6.811 -6.891 -7.501 1.00 0.00 N ATOM 666 CA PHE A 48 8.202 -6.665 -7.874 1.00 0.00 C ATOM 667 C PHE A 48 8.362 -6.640 -9.391 1.00 0.00 C ATOM 668 O PHE A 48 7.538 -7.190 -10.121 1.00 0.00 O ATOM 669 CB PHE A 48 9.096 -7.752 -7.274 1.00 0.00 C ATOM 670 CG PHE A 48 10.493 -7.285 -6.980 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.726 -6.320 -6.014 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.573 -7.812 -7.669 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.010 -5.888 -5.740 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.860 -7.384 -7.400 1.00 0.00 C ATOM 675 CZ PHE A 48 13.078 -6.421 -6.435 1.00 0.00 C ATOM 0 H PHE A 48 6.667 -7.675 -6.864 1.00 0.00 H new ATOM 0 HA PHE A 48 8.505 -5.695 -7.479 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.642 -8.117 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.141 -8.595 -7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.894 -5.900 -5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.408 -8.566 -8.425 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.178 -5.135 -4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.694 -7.803 -7.944 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.082 -6.085 -6.224 1.00 0.00 H new ATOM 685 N GLU A 49 9.428 -5.997 -9.858 1.00 0.00 N ATOM 686 CA GLU A 49 9.694 -5.898 -11.288 1.00 0.00 C ATOM 687 C GLU A 49 10.101 -7.253 -11.860 1.00 0.00 C ATOM 688 O GLU A 49 9.665 -7.638 -12.944 1.00 0.00 O ATOM 689 CB GLU A 49 10.794 -4.869 -11.555 1.00 0.00 C ATOM 690 CG GLU A 49 12.118 -5.206 -10.890 1.00 0.00 C ATOM 691 CD GLU A 49 13.107 -4.058 -10.942 1.00 0.00 C ATOM 692 OE1 GLU A 49 12.830 -3.009 -10.322 1.00 0.00 O ATOM 693 OE2 GLU A 49 14.156 -4.207 -11.602 1.00 0.00 O ATOM 0 H GLU A 49 10.121 -5.537 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 49 8.777 -5.575 -11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.948 -4.786 -12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.459 -3.893 -11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.939 -5.479 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.554 -6.078 -11.378 1.00 0.00 H new ATOM 700 N GLY A 50 10.942 -7.972 -11.122 1.00 0.00 N ATOM 701 CA GLY A 50 11.395 -9.276 -11.571 1.00 0.00 C ATOM 702 C GLY A 50 10.485 -10.397 -11.110 1.00 0.00 C ATOM 703 O GLY A 50 10.953 -11.466 -10.719 1.00 0.00 O ATOM 0 H GLY A 50 11.318 -7.675 -10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.451 -9.282 -12.660 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.404 -9.455 -11.199 1.00 0.00 H new ATOM 707 N THR A 51 9.179 -10.152 -11.153 1.00 0.00 N ATOM 708 CA THR A 51 8.201 -11.148 -10.733 1.00 0.00 C ATOM 709 C THR A 51 6.982 -11.142 -11.649 1.00 0.00 C ATOM 710 O THR A 51 6.932 -10.394 -12.625 1.00 0.00 O ATOM 711 CB THR A 51 7.740 -10.907 -9.283 1.00 0.00 C ATOM 712 OG1 THR A 51 7.328 -9.545 -9.120 1.00 0.00 O ATOM 713 CG2 THR A 51 8.857 -11.225 -8.301 1.00 0.00 C ATOM 0 H THR A 51 8.774 -9.273 -11.474 1.00 0.00 H new ATOM 0 HA THR A 51 8.693 -12.119 -10.793 1.00 0.00 H new ATOM 0 HB THR A 51 6.898 -11.568 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.600 -9.025 -9.905 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.509 -11.047 -7.284 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.149 -12.270 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.716 -10.586 -8.507 1.00 0.00 H new ATOM 721 N GLU A 52 6.001 -11.979 -11.327 1.00 0.00 N ATOM 722 CA GLU A 52 4.782 -12.069 -12.122 1.00 0.00 C ATOM 723 C GLU A 52 3.545 -12.009 -11.231 1.00 0.00 C ATOM 724 O GLU A 52 2.520 -11.443 -11.610 1.00 0.00 O ATOM 725 CB GLU A 52 4.774 -13.363 -12.939 1.00 0.00 C ATOM 726 CG GLU A 52 5.056 -14.606 -12.113 1.00 0.00 C ATOM 727 CD GLU A 52 3.801 -15.195 -11.498 1.00 0.00 C ATOM 728 OE1 GLU A 52 2.693 -14.806 -11.923 1.00 0.00 O ATOM 729 OE2 GLU A 52 3.927 -16.045 -10.592 1.00 0.00 O ATOM 0 H GLU A 52 6.027 -12.604 -10.521 1.00 0.00 H new ATOM 0 HA GLU A 52 4.759 -11.218 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.803 -13.471 -13.423 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.519 -13.287 -13.731 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.534 -15.356 -12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.763 -14.359 -11.321 1.00 0.00 H new ATOM 736 N ASP A 53 3.649 -12.598 -10.045 1.00 0.00 N ATOM 737 CA ASP A 53 2.540 -12.612 -9.098 1.00 0.00 C ATOM 738 C ASP A 53 2.684 -11.490 -8.075 1.00 0.00 C ATOM 739 O ASP A 53 3.795 -11.139 -7.676 1.00 0.00 O ATOM 740 CB ASP A 53 2.468 -13.963 -8.384 1.00 0.00 C ATOM 741 CG ASP A 53 1.305 -14.044 -7.415 1.00 0.00 C ATOM 742 OD1 ASP A 53 1.386 -13.419 -6.337 1.00 0.00 O ATOM 743 OD2 ASP A 53 0.313 -14.732 -7.735 1.00 0.00 O ATOM 0 H ASP A 53 4.490 -13.072 -9.716 1.00 0.00 H new ATOM 0 HA ASP A 53 1.617 -12.454 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.376 -14.758 -9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.399 -14.136 -7.845 1.00 0.00 H new ATOM 748 N TRP A 54 1.555 -10.929 -7.657 1.00 0.00 N ATOM 749 CA TRP A 54 1.556 -9.845 -6.681 1.00 0.00 C ATOM 750 C TRP A 54 1.944 -10.358 -5.299 1.00 0.00 C ATOM 751 O TRP A 54 1.307 -11.265 -4.762 1.00 0.00 O ATOM 752 CB TRP A 54 0.179 -9.181 -6.625 1.00 0.00 C ATOM 753 CG TRP A 54 -0.060 -8.216 -7.747 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.501 -8.514 -9.004 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.129 -6.797 -7.711 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.596 -7.366 -9.753 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.216 -6.299 -8.983 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.555 -5.899 -6.729 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.147 -4.944 -9.295 1.00 0.00 C ATOM 760 CZ3 TRP A 54 0.624 -4.554 -7.041 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.273 -4.087 -8.314 1.00 0.00 C ATOM 0 H TRP A 54 0.628 -11.207 -7.978 1.00 0.00 H new ATOM 0 HA TRP A 54 2.295 -9.107 -6.994 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.590 -9.953 -6.649 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.075 -8.656 -5.675 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.740 -9.506 -9.358 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.900 -7.316 -10.725 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.826 -6.249 -5.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.415 -4.582 -10.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.954 -3.851 -6.290 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.335 -3.030 -8.526 1.00 0.00 H new ATOM 772 N ILE A 55 2.989 -9.771 -4.726 1.00 0.00 N ATOM 773 CA ILE A 55 3.460 -10.168 -3.405 1.00 0.00 C ATOM 774 C ILE A 55 2.730 -9.400 -2.308 1.00 0.00 C ATOM 775 O ILE A 55 2.501 -8.196 -2.425 1.00 0.00 O ATOM 776 CB ILE A 55 4.975 -9.940 -3.255 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.739 -10.716 -4.330 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.438 -10.353 -1.866 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.044 -10.066 -4.732 1.00 0.00 C ATOM 0 H ILE A 55 3.526 -9.018 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 55 3.250 -11.233 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 55 5.182 -8.878 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.941 -11.723 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.106 -10.818 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.511 -10.186 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.914 -9.760 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.221 -11.410 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.531 -10.671 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.847 -9.070 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.695 -9.989 -3.861 1.00 0.00 H new ATOM 791 N VAL A 56 2.367 -10.105 -1.241 1.00 0.00 N ATOM 792 CA VAL A 56 1.666 -9.489 -0.121 1.00 0.00 C ATOM 793 C VAL A 56 2.647 -8.997 0.938 1.00 0.00 C ATOM 794 O VAL A 56 3.444 -9.770 1.467 1.00 0.00 O ATOM 795 CB VAL A 56 0.676 -10.473 0.531 1.00 0.00 C ATOM 796 CG1 VAL A 56 1.398 -11.729 0.995 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.052 -9.808 1.688 1.00 0.00 C ATOM 0 H VAL A 56 2.547 -11.103 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 56 1.113 -8.640 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.064 -10.763 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.682 -12.412 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.868 -12.215 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.162 -11.461 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.747 -10.518 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.672 -9.486 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.604 -8.942 1.321 1.00 0.00 H new ATOM 807 N ALA A 57 2.581 -7.705 1.242 1.00 0.00 N ATOM 808 CA ALA A 57 3.461 -7.109 2.240 1.00 0.00 C ATOM 809 C ALA A 57 3.043 -7.511 3.650 1.00 0.00 C ATOM 810 O ALA A 57 3.884 -7.678 4.533 1.00 0.00 O ATOM 811 CB ALA A 57 3.468 -5.594 2.100 1.00 0.00 C ATOM 0 H ALA A 57 1.927 -7.051 0.812 1.00 0.00 H new ATOM 0 HA ALA A 57 4.470 -7.483 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.129 -5.162 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.822 -5.322 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.458 -5.211 2.243 1.00 0.00 H new ATOM 817 N ASN A 58 1.739 -7.662 3.855 1.00 0.00 N ATOM 818 CA ASN A 58 1.209 -8.043 5.160 1.00 0.00 C ATOM 819 C ASN A 58 -0.111 -8.793 5.014 1.00 0.00 C ATOM 820 O ASN A 58 -1.136 -8.207 4.666 1.00 0.00 O ATOM 821 CB ASN A 58 1.009 -6.803 6.034 1.00 0.00 C ATOM 822 CG ASN A 58 -0.082 -6.995 7.070 1.00 0.00 C ATOM 823 OD1 ASN A 58 0.166 -7.510 8.160 1.00 0.00 O ATOM 824 ND2 ASN A 58 -1.297 -6.580 6.732 1.00 0.00 N ATOM 0 H ASN A 58 1.029 -7.527 3.135 1.00 0.00 H new ATOM 0 HA ASN A 58 1.931 -8.705 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.945 -6.562 6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.759 -5.952 5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.072 -6.682 7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.456 -6.159 5.817 1.00 0.00 H new ATOM 831 N LYS A 59 -0.078 -10.094 5.282 1.00 0.00 N ATOM 832 CA LYS A 59 -1.271 -10.927 5.182 1.00 0.00 C ATOM 833 C LYS A 59 -2.371 -10.413 6.105 1.00 0.00 C ATOM 834 O LYS A 59 -3.470 -10.088 5.656 1.00 0.00 O ATOM 835 CB LYS A 59 -0.935 -12.379 5.530 1.00 0.00 C ATOM 836 CG LYS A 59 -2.069 -13.350 5.249 1.00 0.00 C ATOM 837 CD LYS A 59 -3.016 -13.460 6.432 1.00 0.00 C ATOM 838 CE LYS A 59 -4.015 -14.591 6.242 1.00 0.00 C ATOM 839 NZ LYS A 59 -3.439 -15.910 6.624 1.00 0.00 N ATOM 0 H LYS A 59 0.763 -10.595 5.570 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.632 -10.881 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.056 -12.686 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.670 -12.439 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.622 -13.020 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.659 -14.333 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.443 -13.628 7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.550 -12.519 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.904 -14.395 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.334 -14.622 5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.151 -16.654 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.606 -16.109 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.157 -15.889 7.625 1.00 0.00 H new ATOM 853 N ASP A 60 -2.068 -10.342 7.397 1.00 0.00 N ATOM 854 CA ASP A 60 -3.031 -9.865 8.383 1.00 0.00 C ATOM 855 C ASP A 60 -3.591 -8.503 7.982 1.00 0.00 C ATOM 856 O ASP A 60 -3.294 -7.992 6.901 1.00 0.00 O ATOM 857 CB ASP A 60 -2.378 -9.776 9.763 1.00 0.00 C ATOM 858 CG ASP A 60 -1.596 -11.026 10.115 1.00 0.00 C ATOM 859 OD1 ASP A 60 -0.416 -11.120 9.717 1.00 0.00 O ATOM 860 OD2 ASP A 60 -2.164 -11.910 10.790 1.00 0.00 O ATOM 0 H ASP A 60 -1.163 -10.609 7.786 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.855 -10.578 8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.712 -8.914 9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.148 -9.609 10.516 1.00 0.00 H new ATOM 865 N LEU A 61 -4.402 -7.922 8.859 1.00 0.00 N ATOM 866 CA LEU A 61 -5.004 -6.619 8.596 1.00 0.00 C ATOM 867 C LEU A 61 -4.205 -5.505 9.264 1.00 0.00 C ATOM 868 O LEU A 61 -3.824 -5.614 10.430 1.00 0.00 O ATOM 869 CB LEU A 61 -6.450 -6.594 9.094 1.00 0.00 C ATOM 870 CG LEU A 61 -7.355 -7.716 8.583 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.612 -7.816 9.434 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.715 -7.487 7.123 1.00 0.00 C ATOM 0 H LEU A 61 -4.658 -8.332 9.757 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.994 -6.452 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.439 -6.631 10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.894 -5.639 8.812 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.812 -8.658 8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.244 -8.619 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.336 -8.027 10.467 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.158 -6.873 9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.359 -8.295 6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.239 -6.536 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.805 -7.465 6.523 1.00 0.00 H new ATOM 884 N ILE A 62 -3.956 -4.434 8.519 1.00 0.00 N ATOM 885 CA ILE A 62 -3.205 -3.298 9.040 1.00 0.00 C ATOM 886 C ILE A 62 -4.127 -2.301 9.733 1.00 0.00 C ATOM 887 O ILE A 62 -4.879 -1.578 9.080 1.00 0.00 O ATOM 888 CB ILE A 62 -2.431 -2.574 7.923 1.00 0.00 C ATOM 889 CG1 ILE A 62 -1.785 -3.590 6.979 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.377 -1.653 8.519 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.421 -3.014 5.628 1.00 0.00 C ATOM 0 H ILE A 62 -4.263 -4.329 7.552 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.494 -3.696 9.764 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.133 -1.968 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.886 -3.990 7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.469 -4.427 6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.839 -1.149 7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.860 -0.911 9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.676 -2.239 9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.968 -3.790 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.320 -2.640 5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.713 -2.196 5.760 1.00 0.00 H new ATOM 903 N ASP A 63 -4.062 -2.267 11.059 1.00 0.00 N ATOM 904 CA ASP A 63 -4.890 -1.355 11.842 1.00 0.00 C ATOM 905 C ASP A 63 -4.667 0.090 11.407 1.00 0.00 C ATOM 906 O ASP A 63 -5.573 0.739 10.886 1.00 0.00 O ATOM 907 CB ASP A 63 -4.582 -1.506 13.333 1.00 0.00 C ATOM 908 CG ASP A 63 -5.329 -2.664 13.964 1.00 0.00 C ATOM 909 OD1 ASP A 63 -5.473 -3.710 13.298 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.771 -2.523 15.124 1.00 0.00 O ATOM 0 H ASP A 63 -3.445 -2.860 11.615 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.935 -1.611 11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.510 -1.653 13.467 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.844 -0.583 13.850 1.00 0.00 H new ATOM 915 N LYS A 64 -3.455 0.588 11.627 1.00 0.00 N ATOM 916 CA LYS A 64 -3.112 1.956 11.258 1.00 0.00 C ATOM 917 C LYS A 64 -3.321 2.187 9.765 1.00 0.00 C ATOM 918 O LYS A 64 -3.545 1.243 9.006 1.00 0.00 O ATOM 919 CB LYS A 64 -1.659 2.258 11.632 1.00 0.00 C ATOM 920 CG LYS A 64 -1.407 2.276 13.130 1.00 0.00 C ATOM 921 CD LYS A 64 -0.274 3.221 13.494 1.00 0.00 C ATOM 922 CE LYS A 64 1.080 2.541 13.368 1.00 0.00 C ATOM 923 NZ LYS A 64 1.367 1.656 14.531 1.00 0.00 N ATOM 0 H LYS A 64 -2.694 0.064 12.059 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.771 2.629 11.807 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.012 1.511 11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.378 3.224 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.316 2.580 13.649 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.166 1.269 13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.305 4.096 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.410 3.578 14.515 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.108 1.954 12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.860 3.298 13.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.326 1.264 14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.299 2.206 15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.676 0.879 14.555 1.00 0.00 H new ATOM 937 N THR A 65 -3.246 3.447 9.349 1.00 0.00 N ATOM 938 CA THR A 65 -3.428 3.801 7.946 1.00 0.00 C ATOM 939 C THR A 65 -2.085 3.995 7.250 1.00 0.00 C ATOM 940 O THR A 65 -1.952 4.834 6.359 1.00 0.00 O ATOM 941 CB THR A 65 -4.263 5.086 7.795 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.752 6.107 8.659 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.725 4.824 8.121 1.00 0.00 C ATOM 0 H THR A 65 -3.060 4.240 9.963 1.00 0.00 H new ATOM 0 HA THR A 65 -3.961 2.974 7.477 1.00 0.00 H new ATOM 0 HB THR A 65 -4.193 5.418 6.759 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.287 6.921 8.556 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.294 5.747 8.007 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.119 4.068 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.811 4.469 9.148 1.00 0.00 H new ATOM 951 N LYS A 66 -1.092 3.214 7.662 1.00 0.00 N ATOM 952 CA LYS A 66 0.241 3.299 7.077 1.00 0.00 C ATOM 953 C LYS A 66 1.017 2.005 7.304 1.00 0.00 C ATOM 954 O LYS A 66 1.006 1.447 8.401 1.00 0.00 O ATOM 955 CB LYS A 66 1.009 4.479 7.675 1.00 0.00 C ATOM 956 CG LYS A 66 2.158 4.960 6.806 1.00 0.00 C ATOM 957 CD LYS A 66 2.452 6.433 7.035 1.00 0.00 C ATOM 958 CE LYS A 66 2.958 6.688 8.447 1.00 0.00 C ATOM 959 NZ LYS A 66 4.414 6.399 8.574 1.00 0.00 N ATOM 0 H LYS A 66 -1.185 2.515 8.399 1.00 0.00 H new ATOM 0 HA LYS A 66 0.131 3.453 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.318 5.306 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.399 4.191 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.050 4.372 7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.915 4.796 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.195 6.773 6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.548 7.017 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.769 7.726 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.402 6.068 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.707 6.519 9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.601 5.421 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.952 7.055 7.972 1.00 0.00 H new ATOM 973 N PHE A 67 1.692 1.535 6.260 1.00 0.00 N ATOM 974 CA PHE A 67 2.474 0.307 6.346 1.00 0.00 C ATOM 975 C PHE A 67 3.870 0.510 5.763 1.00 0.00 C ATOM 976 O PHE A 67 4.087 1.394 4.933 1.00 0.00 O ATOM 977 CB PHE A 67 1.762 -0.830 5.611 1.00 0.00 C ATOM 978 CG PHE A 67 2.364 -2.181 5.869 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.463 -2.614 5.145 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.831 -3.019 6.836 1.00 0.00 C ATOM 981 CE1 PHE A 67 4.020 -3.857 5.380 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.385 -4.262 7.076 1.00 0.00 C ATOM 983 CZ PHE A 67 3.480 -4.682 6.346 1.00 0.00 C ATOM 0 H PHE A 67 1.713 1.986 5.345 1.00 0.00 H new ATOM 0 HA PHE A 67 2.574 0.042 7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.714 -0.845 5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.785 -0.630 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.890 -1.973 4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.973 -2.697 7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.877 -4.182 4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.962 -4.905 7.834 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.913 -5.654 6.531 1.00 0.00 H new ATOM 993 N THR A 68 4.814 -0.316 6.203 1.00 0.00 N ATOM 994 CA THR A 68 6.189 -0.227 5.727 1.00 0.00 C ATOM 995 C THR A 68 6.714 -1.595 5.305 1.00 0.00 C ATOM 996 O THR A 68 7.074 -2.418 6.146 1.00 0.00 O ATOM 997 CB THR A 68 7.120 0.357 6.805 1.00 0.00 C ATOM 998 OG1 THR A 68 6.717 1.692 7.130 1.00 0.00 O ATOM 999 CG2 THR A 68 8.565 0.361 6.328 1.00 0.00 C ATOM 0 H THR A 68 4.652 -1.054 6.888 1.00 0.00 H new ATOM 0 HA THR A 68 6.182 0.439 4.864 1.00 0.00 H new ATOM 0 HB THR A 68 7.048 -0.270 7.693 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.313 2.055 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.204 0.778 7.106 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.879 -0.660 6.109 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.649 0.968 5.426 1.00 0.00 H new ATOM 1007 N ILE A 69 6.755 -1.830 3.998 1.00 0.00 N ATOM 1008 CA ILE A 69 7.238 -3.098 3.465 1.00 0.00 C ATOM 1009 C ILE A 69 8.572 -3.486 4.094 1.00 0.00 C ATOM 1010 O ILE A 69 9.446 -2.642 4.295 1.00 0.00 O ATOM 1011 CB ILE A 69 7.402 -3.040 1.935 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.061 -2.728 1.268 1.00 0.00 C ATOM 1013 CG2 ILE A 69 7.966 -4.353 1.413 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.198 -2.108 -0.105 1.00 0.00 C ATOM 0 H ILE A 69 6.460 -1.159 3.289 1.00 0.00 H new ATOM 0 HA ILE A 69 6.489 -3.850 3.713 1.00 0.00 H new ATOM 0 HB ILE A 69 8.103 -2.242 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.483 -3.648 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.495 -2.052 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.076 -4.297 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.939 -4.537 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.287 -5.167 1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.208 -1.914 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.749 -1.171 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.736 -2.792 -0.761 1.00 0.00 H new ATOM 1026 N THR A 70 8.725 -4.771 4.401 1.00 0.00 N ATOM 1027 CA THR A 70 9.952 -5.271 5.005 1.00 0.00 C ATOM 1028 C THR A 70 10.705 -6.186 4.046 1.00 0.00 C ATOM 1029 O THR A 70 10.135 -7.124 3.490 1.00 0.00 O ATOM 1030 CB THR A 70 9.664 -6.040 6.309 1.00 0.00 C ATOM 1031 OG1 THR A 70 8.743 -7.107 6.054 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.091 -5.112 7.369 1.00 0.00 C ATOM 0 H THR A 70 8.013 -5.484 4.241 1.00 0.00 H new ATOM 0 HA THR A 70 10.568 -4.401 5.232 1.00 0.00 H new ATOM 0 HB THR A 70 10.604 -6.451 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.824 -7.392 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.896 -5.677 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.806 -4.317 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.160 -4.676 7.006 1.00 0.00 H new ATOM 1040 N GLY A 71 11.991 -5.906 3.855 1.00 0.00 N ATOM 1041 CA GLY A 71 12.801 -6.713 2.962 1.00 0.00 C ATOM 1042 C GLY A 71 12.697 -6.263 1.518 1.00 0.00 C ATOM 1043 O GLY A 71 11.966 -6.859 0.725 1.00 0.00 O ATOM 0 H GLY A 71 12.486 -5.135 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.843 -6.666 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.491 -7.755 3.038 1.00 0.00 H new ATOM 1047 N LEU A 72 13.427 -5.207 1.175 1.00 0.00 N ATOM 1048 CA LEU A 72 13.413 -4.676 -0.183 1.00 0.00 C ATOM 1049 C LEU A 72 14.824 -4.326 -0.646 1.00 0.00 C ATOM 1050 O LEU A 72 15.579 -3.642 0.046 1.00 0.00 O ATOM 1051 CB LEU A 72 12.518 -3.437 -0.257 1.00 0.00 C ATOM 1052 CG LEU A 72 11.020 -3.701 -0.417 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.237 -2.400 -0.330 1.00 0.00 C ATOM 1054 CD2 LEU A 72 10.740 -4.406 -1.736 1.00 0.00 C ATOM 0 H LEU A 72 14.036 -4.702 1.819 1.00 0.00 H new ATOM 0 HA LEU A 72 13.014 -5.446 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.669 -2.850 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.850 -2.823 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 72 10.697 -4.352 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.173 -2.607 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.412 -1.934 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.564 -1.725 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.669 -4.586 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.079 -3.781 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.271 -5.358 -1.760 1.00 0.00 H new ATOM 1066 N PRO A 73 15.189 -4.803 -1.845 1.00 0.00 N ATOM 1067 CA PRO A 73 16.509 -4.552 -2.428 1.00 0.00 C ATOM 1068 C PRO A 73 16.692 -3.096 -2.843 1.00 0.00 C ATOM 1069 O PRO A 73 15.855 -2.530 -3.547 1.00 0.00 O ATOM 1070 CB PRO A 73 16.535 -5.465 -3.657 1.00 0.00 C ATOM 1071 CG PRO A 73 15.102 -5.651 -4.020 1.00 0.00 C ATOM 1072 CD PRO A 73 14.340 -5.625 -2.724 1.00 0.00 C ATOM 0 HA PRO A 73 17.312 -4.749 -1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.095 -5.012 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.014 -6.418 -3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.763 -4.859 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.951 -6.596 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.349 -5.188 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.197 -6.628 -2.322 1.00 0.00 H new ATOM 1080 N THR A 74 17.792 -2.493 -2.403 1.00 0.00 N ATOM 1081 CA THR A 74 18.084 -1.102 -2.728 1.00 0.00 C ATOM 1082 C THR A 74 18.179 -0.899 -4.236 1.00 0.00 C ATOM 1083 O THR A 74 18.675 -1.763 -4.959 1.00 0.00 O ATOM 1084 CB THR A 74 19.399 -0.637 -2.075 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.407 -0.988 -0.686 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.574 0.867 -2.223 1.00 0.00 C ATOM 0 H THR A 74 18.496 -2.946 -1.820 1.00 0.00 H new ATOM 0 HA THR A 74 17.261 -0.505 -2.335 1.00 0.00 H new ATOM 0 HB THR A 74 20.226 -1.135 -2.581 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.573 -0.687 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.510 1.172 -1.754 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.596 1.128 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.742 1.379 -1.740 1.00 0.00 H new ATOM 1094 N ASP A 75 17.703 0.250 -4.704 1.00 0.00 N ATOM 1095 CA ASP A 75 17.736 0.568 -6.127 1.00 0.00 C ATOM 1096 C ASP A 75 16.818 -0.362 -6.913 1.00 0.00 C ATOM 1097 O ASP A 75 17.211 -0.919 -7.937 1.00 0.00 O ATOM 1098 CB ASP A 75 19.166 0.465 -6.661 1.00 0.00 C ATOM 1099 CG ASP A 75 19.321 1.104 -8.027 1.00 0.00 C ATOM 1100 OD1 ASP A 75 19.479 2.341 -8.087 1.00 0.00 O ATOM 1101 OD2 ASP A 75 19.283 0.368 -9.035 1.00 0.00 O ATOM 0 H ASP A 75 17.290 0.976 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 75 17.382 1.591 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.848 0.945 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.454 -0.585 -6.719 1.00 0.00 H new ATOM 1106 N ALA A 76 15.592 -0.526 -6.426 1.00 0.00 N ATOM 1107 CA ALA A 76 14.617 -1.388 -7.084 1.00 0.00 C ATOM 1108 C ALA A 76 13.261 -0.701 -7.190 1.00 0.00 C ATOM 1109 O ALA A 76 12.872 0.069 -6.311 1.00 0.00 O ATOM 1110 CB ALA A 76 14.487 -2.705 -6.333 1.00 0.00 C ATOM 0 H ALA A 76 15.250 -0.073 -5.578 1.00 0.00 H new ATOM 0 HA ALA A 76 14.971 -1.592 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.756 -3.339 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.453 -3.210 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.159 -2.511 -5.312 1.00 0.00 H new ATOM 1116 N LYS A 77 12.543 -0.982 -8.272 1.00 0.00 N ATOM 1117 CA LYS A 77 11.229 -0.392 -8.495 1.00 0.00 C ATOM 1118 C LYS A 77 10.123 -1.408 -8.226 1.00 0.00 C ATOM 1119 O LYS A 77 10.284 -2.599 -8.495 1.00 0.00 O ATOM 1120 CB LYS A 77 11.117 0.131 -9.928 1.00 0.00 C ATOM 1121 CG LYS A 77 11.689 1.526 -10.113 1.00 0.00 C ATOM 1122 CD LYS A 77 11.472 2.035 -11.528 1.00 0.00 C ATOM 1123 CE LYS A 77 12.335 3.252 -11.821 1.00 0.00 C ATOM 1124 NZ LYS A 77 11.796 4.483 -11.179 1.00 0.00 N ATOM 0 H LYS A 77 12.850 -1.616 -9.010 1.00 0.00 H new ATOM 0 HA LYS A 77 11.111 0.440 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.634 -0.556 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.068 0.136 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.221 2.209 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.756 1.515 -9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.704 1.243 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.422 2.291 -11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.349 3.072 -11.465 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.397 3.402 -12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.413 5.290 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.838 4.670 -11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.761 4.350 -10.148 1.00 0.00 H new ATOM 1138 N ILE A 78 9.003 -0.931 -7.695 1.00 0.00 N ATOM 1139 CA ILE A 78 7.871 -1.798 -7.393 1.00 0.00 C ATOM 1140 C ILE A 78 6.558 -1.023 -7.434 1.00 0.00 C ATOM 1141 O ILE A 78 6.539 0.196 -7.259 1.00 0.00 O ATOM 1142 CB ILE A 78 8.021 -2.459 -6.010 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.092 -1.392 -4.916 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.260 -3.342 -5.978 1.00 0.00 C ATOM 1145 CD1 ILE A 78 6.740 -1.009 -4.357 1.00 0.00 C ATOM 0 H ILE A 78 8.855 0.052 -7.465 1.00 0.00 H new ATOM 0 HA ILE A 78 7.856 -2.574 -8.158 1.00 0.00 H new ATOM 0 HB ILE A 78 7.148 -3.084 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.722 -1.757 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.575 -0.502 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.353 -3.803 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.172 -4.120 -6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.144 -2.737 -6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.867 -0.249 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.114 -0.614 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.263 -1.888 -3.924 1.00 0.00 H new ATOM 1157 N PHE A 79 5.462 -1.738 -7.663 1.00 0.00 N ATOM 1158 CA PHE A 79 4.144 -1.118 -7.725 1.00 0.00 C ATOM 1159 C PHE A 79 3.384 -1.323 -6.418 1.00 0.00 C ATOM 1160 O PHE A 79 3.264 -2.445 -5.926 1.00 0.00 O ATOM 1161 CB PHE A 79 3.339 -1.695 -8.892 1.00 0.00 C ATOM 1162 CG PHE A 79 4.090 -1.700 -10.193 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.064 -0.594 -11.027 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.821 -2.811 -10.582 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.753 -0.596 -12.225 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.513 -2.818 -11.778 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.478 -1.709 -12.601 1.00 0.00 C ATOM 0 H PHE A 79 5.460 -2.748 -7.809 1.00 0.00 H new ATOM 0 HA PHE A 79 4.281 -0.048 -7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.042 -2.715 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.423 -1.117 -9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.499 0.280 -10.738 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.850 -3.681 -9.943 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.724 0.272 -12.866 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.081 -3.690 -12.069 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.017 -1.713 -13.537 1.00 0.00 H new ATOM 1177 N VAL A 80 2.873 -0.230 -5.860 1.00 0.00 N ATOM 1178 CA VAL A 80 2.124 -0.289 -4.610 1.00 0.00 C ATOM 1179 C VAL A 80 0.638 -0.046 -4.848 1.00 0.00 C ATOM 1180 O VAL A 80 0.258 0.793 -5.665 1.00 0.00 O ATOM 1181 CB VAL A 80 2.645 0.745 -3.594 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.805 0.720 -2.327 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.111 0.487 -3.277 1.00 0.00 C ATOM 0 H VAL A 80 2.964 0.707 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 80 2.265 -1.290 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 80 2.561 1.738 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.189 1.457 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.770 0.957 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.854 -0.272 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.463 1.226 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.222 -0.512 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.700 0.561 -4.191 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.199 -0.786 -4.128 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.645 -0.652 -4.261 1.00 0.00 C ATOM 1195 C ARG A 81 -2.358 -1.203 -3.030 1.00 0.00 C ATOM 1196 O ARG A 81 -2.063 -2.307 -2.572 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.133 -1.380 -5.515 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.826 -2.869 -5.513 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.614 -3.601 -6.588 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.316 -5.031 -6.606 1.00 0.00 N ATOM 1201 CZ ARG A 81 -2.766 -5.887 -5.696 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -3.531 -5.461 -4.701 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -2.451 -7.174 -5.780 1.00 0.00 N ATOM 0 H ARG A 81 0.099 -1.484 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.879 0.409 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.210 -1.240 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.673 -0.924 -6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.759 -3.022 -5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.064 -3.289 -4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.681 -3.455 -6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.384 -3.170 -7.563 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.730 -5.392 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.776 -4.473 -4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.875 -6.121 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.863 -7.506 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.797 -7.831 -5.080 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.297 -0.427 -2.499 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.053 -0.838 -1.321 1.00 0.00 C ATOM 1219 C VAL A 82 -5.543 -0.932 -1.630 1.00 0.00 C ATOM 1220 O VAL A 82 -6.065 -0.186 -2.458 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.843 0.141 -0.151 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.435 0.011 0.409 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.119 1.570 -0.595 1.00 0.00 C ATOM 0 H VAL A 82 -3.553 0.490 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.682 -1.822 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.548 -0.112 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.306 0.711 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.279 -1.006 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.710 0.235 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.966 2.248 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.441 1.837 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.149 1.650 -0.943 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.223 -1.855 -0.958 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.654 -2.047 -1.158 1.00 0.00 C ATOM 1235 C LYS A 83 -8.358 -2.308 0.170 1.00 0.00 C ATOM 1236 O LYS A 83 -7.845 -3.031 1.024 1.00 0.00 O ATOM 1237 CB LYS A 83 -7.904 -3.213 -2.117 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.249 -4.512 -1.680 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.900 -5.715 -2.342 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.238 -7.014 -1.910 1.00 0.00 C ATOM 1241 NZ LYS A 83 -7.822 -8.193 -2.609 1.00 0.00 N ATOM 0 H LYS A 83 -5.806 -2.482 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.061 -1.134 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.978 -3.371 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.534 -2.944 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.188 -4.488 -1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.319 -4.609 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.959 -5.743 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.835 -5.615 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.169 -6.963 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.350 -7.138 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.344 -9.059 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.837 -8.257 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.693 -8.087 -3.635 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.537 -1.717 0.336 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.313 -1.889 1.558 1.00 0.00 C ATOM 1257 C ALA A 84 -10.873 -3.304 1.658 1.00 0.00 C ATOM 1258 O ALA A 84 -11.353 -3.863 0.672 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.439 -0.868 1.616 1.00 0.00 C ATOM 0 H ALA A 84 -9.976 -1.115 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.648 -1.729 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.010 -1.008 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.019 0.138 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.095 -1.001 0.756 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.809 -3.878 2.855 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.310 -5.227 3.084 1.00 0.00 C ATOM 1267 C VAL A 85 -12.321 -5.252 4.225 1.00 0.00 C ATOM 1268 O VAL A 85 -12.057 -4.741 5.312 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.164 -6.205 3.407 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -10.712 -7.593 3.699 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.163 -6.248 2.262 1.00 0.00 C ATOM 0 H VAL A 85 -10.415 -3.429 3.682 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.799 -5.543 2.162 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.647 -5.850 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.888 -8.270 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.387 -7.545 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.255 -7.961 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.360 -6.943 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.665 -6.578 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.746 -5.253 2.106 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.480 -5.850 3.969 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.531 -5.942 4.975 1.00 0.00 C ATOM 1283 C ASN A 86 -15.272 -7.271 4.868 1.00 0.00 C ATOM 1284 O ASN A 86 -15.047 -8.046 3.938 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.517 -4.782 4.819 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.793 -4.448 3.366 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -16.787 -4.894 2.793 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.910 -3.661 2.762 1.00 0.00 N ATOM 0 H ASN A 86 -13.715 -6.278 3.073 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.064 -5.885 5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.454 -5.036 5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.119 -3.901 5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.042 -3.403 1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.100 -3.314 3.276 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.157 -7.528 5.826 1.00 0.00 N ATOM 1296 CA ALA A 87 -16.933 -8.762 5.838 1.00 0.00 C ATOM 1297 C ALA A 87 -17.435 -9.109 4.441 1.00 0.00 C ATOM 1298 O ALA A 87 -17.170 -10.196 3.928 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.101 -8.641 6.806 1.00 0.00 C ATOM 0 H ALA A 87 -16.354 -6.898 6.604 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.281 -9.569 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.672 -9.569 6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.723 -8.449 7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.746 -7.818 6.497 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.161 -8.178 3.830 1.00 0.00 N ATOM 1306 CA ALA A 88 -18.699 -8.386 2.491 1.00 0.00 C ATOM 1307 C ALA A 88 -17.626 -8.913 1.544 1.00 0.00 C ATOM 1308 O ALA A 88 -17.806 -9.947 0.901 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.290 -7.091 1.953 1.00 0.00 C ATOM 0 H ALA A 88 -18.390 -7.273 4.241 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.489 -9.134 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.688 -7.261 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.092 -6.756 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.514 -6.327 1.910 1.00 0.00 H new ATOM 1315 N GLY A 89 -16.510 -8.196 1.463 1.00 0.00 N ATOM 1316 CA GLY A 89 -15.425 -8.608 0.592 1.00 0.00 C ATOM 1317 C GLY A 89 -14.280 -7.614 0.582 1.00 0.00 C ATOM 1318 O GLY A 89 -13.605 -7.424 1.593 1.00 0.00 O ATOM 0 H GLY A 89 -16.338 -7.337 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.054 -9.581 0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -15.804 -8.731 -0.422 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.060 -6.979 -0.565 1.00 0.00 N ATOM 1323 CA ALA A 90 -12.989 -6.000 -0.702 1.00 0.00 C ATOM 1324 C ALA A 90 -13.334 -4.953 -1.756 1.00 0.00 C ATOM 1325 O ALA A 90 -14.274 -5.126 -2.531 1.00 0.00 O ATOM 1326 CB ALA A 90 -11.681 -6.693 -1.053 1.00 0.00 C ATOM 0 H ALA A 90 -14.609 -7.125 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.872 -5.491 0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.890 -5.949 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.419 -7.398 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.795 -7.229 -1.995 1.00 0.00 H new ATOM 1332 N SER A 91 -12.568 -3.867 -1.778 1.00 0.00 N ATOM 1333 CA SER A 91 -12.796 -2.790 -2.734 1.00 0.00 C ATOM 1334 C SER A 91 -11.744 -2.813 -3.839 1.00 0.00 C ATOM 1335 O SER A 91 -10.727 -3.497 -3.728 1.00 0.00 O ATOM 1336 CB SER A 91 -12.776 -1.436 -2.023 1.00 0.00 C ATOM 1337 OG SER A 91 -13.824 -1.343 -1.074 1.00 0.00 O ATOM 0 H SER A 91 -11.784 -3.710 -1.145 1.00 0.00 H new ATOM 0 HA SER A 91 -13.776 -2.940 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.817 -1.298 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.873 -0.635 -2.756 1.00 0.00 H new ATOM 0 HG SER A 91 -13.789 -0.469 -0.632 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.997 -2.059 -4.904 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.072 -1.993 -6.030 1.00 0.00 C ATOM 1345 C GLU A 92 -9.693 -1.524 -5.575 1.00 0.00 C ATOM 1346 O GLU A 92 -9.558 -0.684 -4.684 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.613 -1.052 -7.109 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.544 0.417 -6.726 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.927 1.336 -7.869 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.063 1.600 -8.732 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -13.089 1.792 -7.900 1.00 0.00 O ATOM 0 H GLU A 92 -12.834 -1.486 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.976 -2.995 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.049 -1.206 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.649 -1.315 -7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.207 0.600 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.533 0.656 -6.396 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.644 -2.078 -6.200 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.257 -1.732 -5.876 1.00 0.00 C ATOM 1360 C PRO A 93 -6.895 -0.317 -6.314 1.00 0.00 C ATOM 1361 O PRO A 93 -7.334 0.150 -7.366 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.441 -2.760 -6.664 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.324 -3.155 -7.797 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.731 -3.085 -7.271 1.00 0.00 C ATOM 0 HA PRO A 93 -7.072 -1.753 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.505 -2.332 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.183 -3.619 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.191 -2.485 -8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.087 -4.161 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.436 -2.787 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.066 -4.050 -6.890 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.092 0.362 -5.502 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.669 1.724 -5.806 1.00 0.00 C ATOM 1374 C LYS A 94 -4.258 1.739 -6.383 1.00 0.00 C ATOM 1375 O LYS A 94 -3.282 1.508 -5.669 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.725 2.591 -4.546 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.075 3.953 -4.715 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.973 4.908 -5.483 1.00 0.00 C ATOM 1379 CE LYS A 94 -6.934 5.637 -4.556 1.00 0.00 C ATOM 1380 NZ LYS A 94 -8.211 4.891 -4.385 1.00 0.00 N ATOM 0 H LYS A 94 -5.721 -0.009 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.352 2.132 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.767 2.728 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.234 2.062 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.849 4.373 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.127 3.842 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.361 5.634 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.538 4.354 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.463 5.779 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.143 6.629 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.011 5.515 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.220 4.068 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.296 4.569 -3.400 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.157 2.015 -7.679 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.864 2.059 -8.352 1.00 0.00 C ATOM 1396 C TYR A 95 -2.302 3.478 -8.359 1.00 0.00 C ATOM 1397 O TYR A 95 -2.943 4.409 -8.846 1.00 0.00 O ATOM 1398 CB TYR A 95 -2.995 1.544 -9.786 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.113 0.039 -9.880 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -1.987 -0.772 -9.815 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.352 -0.572 -10.035 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -2.090 -2.146 -9.901 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -4.465 -1.946 -10.121 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.331 -2.729 -10.054 1.00 0.00 C ATOM 1405 OH TYR A 95 -3.439 -4.098 -10.140 1.00 0.00 O ATOM 0 H TYR A 95 -4.954 2.211 -8.284 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.175 1.417 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.872 1.998 -10.248 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.128 1.869 -10.361 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.014 -0.320 -9.695 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.242 0.038 -10.089 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.204 -2.761 -9.849 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.435 -2.405 -10.240 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.575 -4.508 -9.927 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.100 3.633 -7.816 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.450 4.937 -7.757 1.00 0.00 C ATOM 1417 C TYR A 96 -0.129 5.449 -9.158 1.00 0.00 C ATOM 1418 O TYR A 96 -0.403 4.780 -10.154 1.00 0.00 O ATOM 1419 CB TYR A 96 0.830 4.855 -6.925 1.00 0.00 C ATOM 1420 CG TYR A 96 1.289 6.192 -6.387 1.00 0.00 C ATOM 1421 CD1 TYR A 96 0.411 7.028 -5.709 1.00 0.00 C ATOM 1422 CD2 TYR A 96 2.601 6.618 -6.557 1.00 0.00 C ATOM 1423 CE1 TYR A 96 0.826 8.250 -5.216 1.00 0.00 C ATOM 1424 CE2 TYR A 96 3.024 7.838 -6.067 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.133 8.651 -5.397 1.00 0.00 C ATOM 1426 OH TYR A 96 2.551 9.867 -4.908 1.00 0.00 O ATOM 0 H TYR A 96 -0.556 2.872 -7.410 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.138 5.637 -7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.668 4.173 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.624 4.427 -7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.613 6.717 -5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.301 5.984 -7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.130 8.888 -4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.047 8.154 -6.208 1.00 0.00 H new ATOM 0 HH TYR A 96 3.499 9.996 -5.119 1.00 0.00 H new ATOM 1436 N SER A 97 0.456 6.641 -9.225 1.00 0.00 N ATOM 1437 CA SER A 97 0.814 7.246 -10.503 1.00 0.00 C ATOM 1438 C SER A 97 2.107 6.646 -11.045 1.00 0.00 C ATOM 1439 O SER A 97 2.101 5.943 -12.055 1.00 0.00 O ATOM 1440 CB SER A 97 0.966 8.760 -10.349 1.00 0.00 C ATOM 1441 OG SER A 97 0.650 9.430 -11.557 1.00 0.00 O ATOM 0 H SER A 97 0.692 7.207 -8.410 1.00 0.00 H new ATOM 0 HA SER A 97 0.013 7.039 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.313 9.115 -9.551 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.988 8.998 -10.054 1.00 0.00 H new ATOM 0 HG SER A 97 0.753 10.396 -11.432 1.00 0.00 H new ATOM 1447 N GLN A 98 3.214 6.928 -10.366 1.00 0.00 N ATOM 1448 CA GLN A 98 4.515 6.417 -10.780 1.00 0.00 C ATOM 1449 C GLN A 98 4.974 5.290 -9.861 1.00 0.00 C ATOM 1450 O GLN A 98 4.569 5.196 -8.703 1.00 0.00 O ATOM 1451 CB GLN A 98 5.551 7.543 -10.783 1.00 0.00 C ATOM 1452 CG GLN A 98 5.363 8.540 -11.915 1.00 0.00 C ATOM 1453 CD GLN A 98 5.820 7.995 -13.254 1.00 0.00 C ATOM 1454 OE1 GLN A 98 5.704 6.799 -13.523 1.00 0.00 O ATOM 1455 NE2 GLN A 98 6.344 8.872 -14.103 1.00 0.00 N ATOM 0 H GLN A 98 3.236 7.507 -9.527 1.00 0.00 H new ATOM 0 HA GLN A 98 4.417 6.020 -11.790 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.502 8.073 -9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.548 7.108 -10.855 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.311 8.817 -11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.918 9.450 -11.689 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.421 9.854 -13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.669 8.563 -15.019 1.00 0.00 H new ATOM 1464 N PRO A 99 5.841 4.412 -10.389 1.00 0.00 N ATOM 1465 CA PRO A 99 6.374 3.275 -9.633 1.00 0.00 C ATOM 1466 C PRO A 99 7.334 3.710 -8.531 1.00 0.00 C ATOM 1467 O PRO A 99 8.311 4.414 -8.789 1.00 0.00 O ATOM 1468 CB PRO A 99 7.114 2.459 -10.696 1.00 0.00 C ATOM 1469 CG PRO A 99 7.476 3.448 -11.749 1.00 0.00 C ATOM 1470 CD PRO A 99 6.367 4.463 -11.763 1.00 0.00 C ATOM 0 HA PRO A 99 5.587 2.721 -9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.001 1.980 -10.281 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.482 1.667 -11.098 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.434 3.920 -11.529 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.575 2.965 -12.721 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.735 5.457 -12.016 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.601 4.211 -12.496 1.00 0.00 H new ATOM 1478 N ILE A 100 7.051 3.286 -7.304 1.00 0.00 N ATOM 1479 CA ILE A 100 7.891 3.632 -6.164 1.00 0.00 C ATOM 1480 C ILE A 100 9.255 2.957 -6.262 1.00 0.00 C ATOM 1481 O ILE A 100 9.356 1.786 -6.630 1.00 0.00 O ATOM 1482 CB ILE A 100 7.227 3.231 -4.834 1.00 0.00 C ATOM 1483 CG1 ILE A 100 5.837 3.859 -4.723 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.099 3.649 -3.659 1.00 0.00 C ATOM 1485 CD1 ILE A 100 4.750 3.043 -5.387 1.00 0.00 C ATOM 0 H ILE A 100 6.247 2.702 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 100 8.021 4.714 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 100 7.118 2.147 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.590 3.990 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.859 4.852 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.616 3.359 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.069 3.158 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.237 4.730 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.792 3.549 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.974 2.934 -6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.700 2.058 -4.923 1.00 0.00 H new ATOM 1497 N LEU A 101 10.303 3.703 -5.930 1.00 0.00 N ATOM 1498 CA LEU A 101 11.663 3.177 -5.978 1.00 0.00 C ATOM 1499 C LEU A 101 12.306 3.204 -4.595 1.00 0.00 C ATOM 1500 O LEU A 101 12.608 4.271 -4.060 1.00 0.00 O ATOM 1501 CB LEU A 101 12.509 3.986 -6.963 1.00 0.00 C ATOM 1502 CG LEU A 101 13.988 3.608 -7.044 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.193 2.461 -8.022 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.824 4.813 -7.451 1.00 0.00 C ATOM 0 H LEU A 101 10.237 4.674 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 101 11.615 2.142 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.073 3.882 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.438 5.039 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 101 14.314 3.280 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.252 2.206 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.624 1.593 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.850 2.761 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.874 4.526 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.496 5.170 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.701 5.607 -6.714 1.00 0.00 H new ATOM 1516 N VAL A 102 12.516 2.023 -4.023 1.00 0.00 N ATOM 1517 CA VAL A 102 13.128 1.910 -2.704 1.00 0.00 C ATOM 1518 C VAL A 102 14.510 2.552 -2.683 1.00 0.00 C ATOM 1519 O VAL A 102 15.527 1.867 -2.793 1.00 0.00 O ATOM 1520 CB VAL A 102 13.250 0.439 -2.265 1.00 0.00 C ATOM 1521 CG1 VAL A 102 13.985 -0.374 -3.320 1.00 0.00 C ATOM 1522 CG2 VAL A 102 13.952 0.341 -0.920 1.00 0.00 C ATOM 0 H VAL A 102 12.271 1.131 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 102 12.476 2.436 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 102 12.247 0.026 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.062 -1.411 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.436 -0.330 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.985 0.036 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.029 -0.706 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.951 0.771 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.380 0.888 -0.170 1.00 0.00 H new ATOM 1532 N LYS A 103 14.541 3.873 -2.539 1.00 0.00 N ATOM 1533 CA LYS A 103 15.799 4.609 -2.502 1.00 0.00 C ATOM 1534 C LYS A 103 15.776 5.670 -1.405 1.00 0.00 C ATOM 1535 O LYS A 103 14.735 6.263 -1.126 1.00 0.00 O ATOM 1536 CB LYS A 103 16.070 5.267 -3.856 1.00 0.00 C ATOM 1537 CG LYS A 103 17.462 5.862 -3.976 1.00 0.00 C ATOM 1538 CD LYS A 103 18.489 4.808 -4.354 1.00 0.00 C ATOM 1539 CE LYS A 103 19.908 5.340 -4.222 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.288 5.558 -2.799 1.00 0.00 N ATOM 0 H LYS A 103 13.709 4.456 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 103 16.598 3.901 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.931 4.527 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.333 6.052 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.457 6.652 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.744 6.323 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.366 3.933 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.316 4.481 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.604 4.637 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.997 6.278 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.283 5.289 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.163 6.562 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.683 4.976 -2.185 1.00 0.00 H new ATOM 1554 N GLU A 104 16.931 5.902 -0.789 1.00 0.00 N ATOM 1555 CA GLU A 104 17.041 6.892 0.276 1.00 0.00 C ATOM 1556 C GLU A 104 17.367 8.270 -0.293 1.00 0.00 C ATOM 1557 O GLU A 104 17.715 8.402 -1.467 1.00 0.00 O ATOM 1558 CB GLU A 104 18.117 6.476 1.281 1.00 0.00 C ATOM 1559 CG GLU A 104 17.865 6.986 2.690 1.00 0.00 C ATOM 1560 CD GLU A 104 18.648 6.218 3.737 1.00 0.00 C ATOM 1561 OE1 GLU A 104 19.847 5.956 3.507 1.00 0.00 O ATOM 1562 OE2 GLU A 104 18.061 5.878 4.786 1.00 0.00 O ATOM 0 H GLU A 104 17.802 5.419 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 104 16.079 6.947 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.180 5.388 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.084 6.844 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.132 8.041 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.800 6.915 2.913 1.00 0.00 H new