USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 552 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3.5!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0456) USER MOD Set 2.2: A 56 TYR OH : rot -85:sc= 0.562 USER MOD Set 2.3: A 60 SER OG : rot 153:sc= 1.4! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -78:sc= 0.263 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.011) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -123:sc= -0.0015 (180deg=-0.646) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0121) USER MOD Single : A 40 ASN : amide:sc= -3.94! C(o=-3.9!,f=-5.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 149:sc= 0.957 USER MOD Single : A 63 ASN : amide:sc= -0.309 K(o=-0.31,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -102:sc= -0.209 USER MOD Single : A 70 THR OG1 : rot -39:sc= 0.00117 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.845 11.261 -5.143 1.00 0.00 N ATOM 60 CA GLY A 7 1.690 11.655 -5.928 1.00 0.00 C ATOM 61 C GLY A 7 0.432 10.916 -5.520 1.00 0.00 C ATOM 62 O GLY A 7 -0.262 11.324 -4.588 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.529 12.728 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.891 11.469 -6.983 1.00 0.00 H new ATOM 66 N SER A 8 0.134 9.825 -6.219 1.00 0.00 N ATOM 67 CA SER A 8 -1.053 9.031 -5.928 1.00 0.00 C ATOM 68 C SER A 8 -0.681 7.750 -5.187 1.00 0.00 C ATOM 69 O SER A 8 0.489 7.373 -5.124 1.00 0.00 O ATOM 70 CB SER A 8 -1.794 8.688 -7.222 1.00 0.00 C ATOM 71 OG SER A 8 -2.249 9.860 -7.874 1.00 0.00 O ATOM 0 H SER A 8 0.699 9.471 -6.991 1.00 0.00 H new ATOM 0 HA SER A 8 -1.708 9.623 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.133 8.131 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.641 8.040 -6.999 1.00 0.00 H new ATOM 0 HG SER A 8 -2.718 9.614 -8.699 1.00 0.00 H new ATOM 77 N TYR A 9 -1.686 7.085 -4.627 1.00 0.00 N ATOM 78 CA TYR A 9 -1.465 5.847 -3.888 1.00 0.00 C ATOM 79 C TYR A 9 -0.861 4.775 -4.789 1.00 0.00 C ATOM 80 O TYR A 9 0.215 4.246 -4.509 1.00 0.00 O ATOM 81 CB TYR A 9 -2.780 5.345 -3.289 1.00 0.00 C ATOM 82 CG TYR A 9 -3.475 6.363 -2.413 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.760 7.388 -1.805 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.845 6.300 -2.193 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.390 8.320 -1.003 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.483 7.229 -1.394 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.752 8.237 -0.801 1.00 0.00 C ATOM 88 OH TYR A 9 -5.384 9.163 -0.003 1.00 0.00 O ATOM 0 H TYR A 9 -2.661 7.382 -4.671 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.762 6.055 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.451 5.056 -4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.583 4.448 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.694 7.457 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.421 5.512 -2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.819 9.109 -0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.549 7.166 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.343 8.963 0.034 1.00 0.00 H new ATOM 98 N TYR A 10 -1.562 4.459 -5.873 1.00 0.00 N ATOM 99 CA TYR A 10 -1.097 3.448 -6.816 1.00 0.00 C ATOM 100 C TYR A 10 0.406 3.570 -7.048 1.00 0.00 C ATOM 101 O TYR A 10 1.080 2.586 -7.352 1.00 0.00 O ATOM 102 CB TYR A 10 -1.843 3.580 -8.145 1.00 0.00 C ATOM 103 CG TYR A 10 -3.310 3.225 -8.054 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.722 2.036 -7.466 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.283 4.080 -8.555 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.061 1.708 -7.381 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.625 3.761 -8.473 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.009 2.574 -7.886 1.00 0.00 C ATOM 109 OH TYR A 10 -7.344 2.251 -7.803 1.00 0.00 O ATOM 0 H TYR A 10 -2.454 4.888 -6.120 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.301 2.466 -6.388 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.747 4.604 -8.505 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.367 2.936 -8.885 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.983 1.356 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.986 5.010 -9.017 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.364 0.779 -6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.369 4.438 -8.867 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.565 1.594 -8.496 1.00 0.00 H new ATOM 119 N ASP A 11 0.923 4.785 -6.903 1.00 0.00 N ATOM 120 CA ASP A 11 2.347 5.038 -7.096 1.00 0.00 C ATOM 121 C ASP A 11 3.124 4.774 -5.810 1.00 0.00 C ATOM 122 O ASP A 11 4.166 4.119 -5.827 1.00 0.00 O ATOM 123 CB ASP A 11 2.573 6.479 -7.556 1.00 0.00 C ATOM 124 CG ASP A 11 2.526 6.618 -9.065 1.00 0.00 C ATOM 125 OD1 ASP A 11 1.683 5.947 -9.698 1.00 0.00 O ATOM 126 OD2 ASP A 11 3.331 7.399 -9.614 1.00 0.00 O ATOM 0 H ASP A 11 0.378 5.610 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 11 2.711 4.358 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.815 7.123 -7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.540 6.826 -7.192 1.00 0.00 H new ATOM 131 N ILE A 12 2.610 5.289 -4.698 1.00 0.00 N ATOM 132 CA ILE A 12 3.256 5.109 -3.404 1.00 0.00 C ATOM 133 C ILE A 12 3.367 3.631 -3.046 1.00 0.00 C ATOM 134 O ILE A 12 4.414 3.167 -2.592 1.00 0.00 O ATOM 135 CB ILE A 12 2.491 5.841 -2.285 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.466 7.346 -2.556 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.124 5.550 -0.933 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.583 8.117 -1.599 1.00 0.00 C ATOM 0 H ILE A 12 1.748 5.834 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 12 4.255 5.536 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 12 1.464 5.477 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.482 7.735 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.120 7.518 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.572 6.074 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.094 4.478 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.160 5.889 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.613 9.177 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.558 7.755 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.941 7.975 -0.579 1.00 0.00 H new ATOM 150 N LEU A 13 2.281 2.895 -3.254 1.00 0.00 N ATOM 151 CA LEU A 13 2.256 1.467 -2.955 1.00 0.00 C ATOM 152 C LEU A 13 2.949 0.668 -4.054 1.00 0.00 C ATOM 153 O LEU A 13 3.612 -0.333 -3.785 1.00 0.00 O ATOM 154 CB LEU A 13 0.813 0.985 -2.792 1.00 0.00 C ATOM 155 CG LEU A 13 0.061 1.520 -1.573 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.423 1.209 -1.682 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.638 0.935 -0.292 1.00 0.00 C ATOM 0 H LEU A 13 1.406 3.263 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 13 2.794 1.308 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.256 1.260 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.818 -0.104 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 13 0.182 2.603 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.941 1.597 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.828 1.676 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.565 0.130 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.091 1.327 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.548 -0.151 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.689 1.210 -0.208 1.00 0.00 H new ATOM 169 N GLY A 14 2.793 1.120 -5.295 1.00 0.00 N ATOM 170 CA GLY A 14 3.412 0.436 -6.417 1.00 0.00 C ATOM 171 C GLY A 14 2.481 -0.566 -7.070 1.00 0.00 C ATOM 172 O GLY A 14 2.922 -1.603 -7.565 1.00 0.00 O ATOM 0 H GLY A 14 2.250 1.947 -5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.727 1.171 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.311 -0.077 -6.075 1.00 0.00 H new ATOM 176 N VAL A 15 1.188 -0.257 -7.070 1.00 0.00 N ATOM 177 CA VAL A 15 0.192 -1.139 -7.667 1.00 0.00 C ATOM 178 C VAL A 15 -0.584 -0.426 -8.769 1.00 0.00 C ATOM 179 O VAL A 15 -0.717 0.798 -8.776 1.00 0.00 O ATOM 180 CB VAL A 15 -0.801 -1.661 -6.611 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.178 -2.791 -5.805 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.251 -0.530 -5.699 1.00 0.00 C ATOM 0 H VAL A 15 0.806 0.597 -6.663 1.00 0.00 H new ATOM 0 HA VAL A 15 0.733 -1.983 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.678 -2.054 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.894 -3.147 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.090 -3.609 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.717 -2.427 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.952 -0.916 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.385 -0.105 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.739 0.243 -6.292 1.00 0.00 H new ATOM 192 N PRO A 16 -1.110 -1.208 -9.724 1.00 0.00 N ATOM 193 CA PRO A 16 -1.883 -0.673 -10.848 1.00 0.00 C ATOM 194 C PRO A 16 -3.238 -0.126 -10.412 1.00 0.00 C ATOM 195 O PRO A 16 -3.706 -0.406 -9.308 1.00 0.00 O ATOM 196 CB PRO A 16 -2.065 -1.886 -11.763 1.00 0.00 C ATOM 197 CG PRO A 16 -1.966 -3.063 -10.855 1.00 0.00 C ATOM 198 CD PRO A 16 -0.991 -2.674 -9.778 1.00 0.00 C ATOM 0 HA PRO A 16 -1.379 0.167 -11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.029 -1.858 -12.271 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.298 -1.917 -12.537 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.939 -3.311 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.620 -3.944 -11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.244 -3.133 -8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.024 -2.986 -10.023 1.00 0.00 H new ATOM 206 N LYS A 17 -3.865 0.654 -11.286 1.00 0.00 N ATOM 207 CA LYS A 17 -5.168 1.239 -10.993 1.00 0.00 C ATOM 208 C LYS A 17 -6.234 0.156 -10.864 1.00 0.00 C ATOM 209 O LYS A 17 -7.232 0.334 -10.165 1.00 0.00 O ATOM 210 CB LYS A 17 -5.563 2.231 -12.090 1.00 0.00 C ATOM 211 CG LYS A 17 -4.770 3.526 -12.054 1.00 0.00 C ATOM 212 CD LYS A 17 -3.337 3.315 -12.514 1.00 0.00 C ATOM 213 CE LYS A 17 -2.748 4.588 -13.103 1.00 0.00 C ATOM 214 NZ LYS A 17 -1.259 4.576 -13.072 1.00 0.00 N ATOM 0 H LYS A 17 -3.491 0.896 -12.204 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.096 1.768 -10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.426 1.758 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.624 2.462 -11.994 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.252 4.267 -12.691 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.773 3.927 -11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.728 2.987 -11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.306 2.520 -13.259 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.089 4.704 -14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.116 5.450 -12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.896 5.460 -13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.933 4.491 -12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.907 3.768 -13.624 1.00 0.00 H new ATOM 228 N SER A 18 -6.016 -0.966 -11.541 1.00 0.00 N ATOM 229 CA SER A 18 -6.960 -2.077 -11.504 1.00 0.00 C ATOM 230 C SER A 18 -6.428 -3.213 -10.635 1.00 0.00 C ATOM 231 O SER A 18 -6.888 -4.350 -10.730 1.00 0.00 O ATOM 232 CB SER A 18 -7.234 -2.589 -12.920 1.00 0.00 C ATOM 233 OG SER A 18 -8.094 -1.709 -13.622 1.00 0.00 O ATOM 0 H SER A 18 -5.194 -1.130 -12.122 1.00 0.00 H new ATOM 0 HA SER A 18 -7.892 -1.715 -11.069 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.294 -2.692 -13.461 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.684 -3.581 -12.871 1.00 0.00 H new ATOM 0 HG SER A 18 -8.252 -2.057 -14.524 1.00 0.00 H new ATOM 239 N ALA A 19 -5.454 -2.895 -9.788 1.00 0.00 N ATOM 240 CA ALA A 19 -4.860 -3.887 -8.900 1.00 0.00 C ATOM 241 C ALA A 19 -5.927 -4.583 -8.062 1.00 0.00 C ATOM 242 O ALA A 19 -6.860 -3.946 -7.573 1.00 0.00 O ATOM 243 CB ALA A 19 -3.822 -3.234 -7.999 1.00 0.00 C ATOM 0 H ALA A 19 -5.060 -1.959 -9.698 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.369 -4.641 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.386 -3.986 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.037 -2.789 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.298 -2.458 -7.399 1.00 0.00 H new ATOM 249 N SER A 20 -5.784 -5.895 -7.902 1.00 0.00 N ATOM 250 CA SER A 20 -6.739 -6.679 -7.126 1.00 0.00 C ATOM 251 C SER A 20 -6.410 -6.619 -5.638 1.00 0.00 C ATOM 252 O SER A 20 -5.245 -6.515 -5.253 1.00 0.00 O ATOM 253 CB SER A 20 -6.742 -8.133 -7.602 1.00 0.00 C ATOM 254 OG SER A 20 -7.878 -8.826 -7.115 1.00 0.00 O ATOM 0 H SER A 20 -5.017 -6.437 -8.299 1.00 0.00 H new ATOM 0 HA SER A 20 -7.730 -6.252 -7.278 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.734 -8.162 -8.692 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.834 -8.632 -7.263 1.00 0.00 H new ATOM 0 HG SER A 20 -7.858 -9.752 -7.434 1.00 0.00 H new ATOM 260 N GLU A 21 -7.444 -6.686 -4.806 1.00 0.00 N ATOM 261 CA GLU A 21 -7.265 -6.638 -3.360 1.00 0.00 C ATOM 262 C GLU A 21 -5.984 -7.357 -2.946 1.00 0.00 C ATOM 263 O GLU A 21 -5.168 -6.815 -2.202 1.00 0.00 O ATOM 264 CB GLU A 21 -8.467 -7.268 -2.654 1.00 0.00 C ATOM 265 CG GLU A 21 -8.424 -7.134 -1.141 1.00 0.00 C ATOM 266 CD GLU A 21 -9.472 -7.985 -0.449 1.00 0.00 C ATOM 267 OE1 GLU A 21 -9.480 -9.213 -0.674 1.00 0.00 O ATOM 268 OE2 GLU A 21 -10.282 -7.422 0.316 1.00 0.00 O ATOM 0 H GLU A 21 -8.414 -6.774 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.186 -5.592 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.380 -6.803 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.518 -8.325 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.435 -7.420 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.572 -6.089 -0.868 1.00 0.00 H new ATOM 275 N ARG A 22 -5.816 -8.582 -3.435 1.00 0.00 N ATOM 276 CA ARG A 22 -4.637 -9.377 -3.115 1.00 0.00 C ATOM 277 C ARG A 22 -3.360 -8.625 -3.479 1.00 0.00 C ATOM 278 O ARG A 22 -2.397 -8.612 -2.713 1.00 0.00 O ATOM 279 CB ARG A 22 -4.682 -10.716 -3.854 1.00 0.00 C ATOM 280 CG ARG A 22 -3.436 -11.563 -3.656 1.00 0.00 C ATOM 281 CD ARG A 22 -3.406 -12.743 -4.615 1.00 0.00 C ATOM 282 NE ARG A 22 -2.684 -13.883 -4.058 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.393 -14.979 -4.750 1.00 0.00 C ATOM 284 NH1 ARG A 22 -2.760 -15.081 -6.020 1.00 0.00 N ATOM 285 NH2 ARG A 22 -1.733 -15.975 -4.173 1.00 0.00 N ATOM 0 H ARG A 22 -6.482 -9.045 -4.054 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.635 -9.563 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.552 -11.279 -3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.819 -10.529 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.549 -10.948 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.401 -11.926 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.427 -13.042 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.936 -12.438 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.386 -13.835 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.267 -14.317 -6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.536 -15.923 -6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.448 -15.900 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.511 -16.816 -4.706 1.00 0.00 H new ATOM 299 N GLN A 23 -3.360 -8.002 -4.653 1.00 0.00 N ATOM 300 CA GLN A 23 -2.201 -7.250 -5.119 1.00 0.00 C ATOM 301 C GLN A 23 -1.914 -6.068 -4.199 1.00 0.00 C ATOM 302 O GLN A 23 -0.770 -5.840 -3.805 1.00 0.00 O ATOM 303 CB GLN A 23 -2.429 -6.756 -6.549 1.00 0.00 C ATOM 304 CG GLN A 23 -2.093 -7.790 -7.611 1.00 0.00 C ATOM 305 CD GLN A 23 -1.633 -7.162 -8.912 1.00 0.00 C ATOM 306 OE1 GLN A 23 -0.518 -7.408 -9.373 1.00 0.00 O ATOM 307 NE2 GLN A 23 -2.491 -6.347 -9.513 1.00 0.00 N ATOM 0 H GLN A 23 -4.150 -8.003 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.338 -7.915 -5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.472 -6.459 -6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.824 -5.865 -6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.312 -8.451 -7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.970 -8.409 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.405 -6.171 -9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.236 -5.897 -10.392 1.00 0.00 H new ATOM 316 N ILE A 24 -2.959 -5.320 -3.862 1.00 0.00 N ATOM 317 CA ILE A 24 -2.818 -4.162 -2.988 1.00 0.00 C ATOM 318 C ILE A 24 -2.252 -4.563 -1.630 1.00 0.00 C ATOM 319 O ILE A 24 -1.276 -3.982 -1.156 1.00 0.00 O ATOM 320 CB ILE A 24 -4.167 -3.448 -2.778 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.744 -2.996 -4.121 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.997 -2.260 -1.842 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.241 -2.783 -4.094 1.00 0.00 C ATOM 0 H ILE A 24 -3.912 -5.495 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.126 -3.478 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.865 -4.149 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.258 -2.068 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.505 -3.741 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.958 -1.766 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.625 -2.607 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.286 -1.556 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.581 -2.464 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.736 -3.716 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.486 -2.016 -3.359 1.00 0.00 H new ATOM 335 N LYS A 25 -2.869 -5.563 -1.010 1.00 0.00 N ATOM 336 CA LYS A 25 -2.426 -6.046 0.292 1.00 0.00 C ATOM 337 C LYS A 25 -0.996 -6.573 0.219 1.00 0.00 C ATOM 338 O LYS A 25 -0.160 -6.250 1.063 1.00 0.00 O ATOM 339 CB LYS A 25 -3.361 -7.147 0.796 1.00 0.00 C ATOM 340 CG LYS A 25 -4.567 -6.621 1.555 1.00 0.00 C ATOM 341 CD LYS A 25 -5.593 -7.715 1.800 1.00 0.00 C ATOM 342 CE LYS A 25 -6.635 -7.283 2.820 1.00 0.00 C ATOM 343 NZ LYS A 25 -7.591 -6.292 2.252 1.00 0.00 N ATOM 0 H LYS A 25 -3.678 -6.055 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.451 -5.209 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.706 -7.736 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.800 -7.820 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.244 -6.204 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.027 -5.809 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.085 -7.971 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.089 -8.616 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.184 -8.157 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.136 -6.850 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.850 -5.601 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.145 -5.799 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.446 -6.784 1.922 1.00 0.00 H new ATOM 357 N LYS A 26 -0.721 -7.385 -0.796 1.00 0.00 N ATOM 358 CA LYS A 26 0.608 -7.955 -0.982 1.00 0.00 C ATOM 359 C LYS A 26 1.642 -6.859 -1.217 1.00 0.00 C ATOM 360 O LYS A 26 2.752 -6.916 -0.689 1.00 0.00 O ATOM 361 CB LYS A 26 0.607 -8.931 -2.161 1.00 0.00 C ATOM 362 CG LYS A 26 0.121 -10.323 -1.798 1.00 0.00 C ATOM 363 CD LYS A 26 1.173 -11.095 -1.018 1.00 0.00 C ATOM 364 CE LYS A 26 2.247 -11.657 -1.937 1.00 0.00 C ATOM 365 NZ LYS A 26 3.134 -12.620 -1.228 1.00 0.00 N ATOM 0 H LYS A 26 -1.401 -7.663 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 26 0.875 -8.494 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.025 -8.530 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.617 -9.002 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.791 -10.248 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.133 -10.869 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.632 -10.440 -0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.698 -11.909 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.776 -12.154 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.846 -10.839 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.852 -12.981 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.603 -12.140 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.567 -13.413 -0.867 1.00 0.00 H new ATOM 379 N ALA A 27 1.270 -5.861 -2.012 1.00 0.00 N ATOM 380 CA ALA A 27 2.164 -4.750 -2.314 1.00 0.00 C ATOM 381 C ALA A 27 2.429 -3.906 -1.072 1.00 0.00 C ATOM 382 O ALA A 27 3.577 -3.591 -0.756 1.00 0.00 O ATOM 383 CB ALA A 27 1.581 -3.890 -3.425 1.00 0.00 C ATOM 0 H ALA A 27 0.355 -5.799 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 27 3.115 -5.162 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.259 -3.064 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.450 -4.495 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.616 -3.494 -3.110 1.00 0.00 H new ATOM 389 N PHE A 28 1.360 -3.541 -0.372 1.00 0.00 N ATOM 390 CA PHE A 28 1.478 -2.731 0.835 1.00 0.00 C ATOM 391 C PHE A 28 2.305 -3.452 1.896 1.00 0.00 C ATOM 392 O PHE A 28 3.390 -3.001 2.265 1.00 0.00 O ATOM 393 CB PHE A 28 0.090 -2.402 1.391 1.00 0.00 C ATOM 394 CG PHE A 28 0.128 -1.596 2.658 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.082 -0.607 2.838 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.791 -1.827 3.669 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.119 0.137 4.002 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.759 -1.086 4.835 1.00 0.00 C ATOM 399 CZ PHE A 28 0.197 -0.103 5.002 1.00 0.00 C ATOM 0 H PHE A 28 0.403 -3.793 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 28 1.986 -1.804 0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.474 -1.853 0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.448 -3.332 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.805 -0.415 2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.540 -2.595 3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.868 0.905 4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.481 -1.275 5.615 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.223 0.477 5.913 1.00 0.00 H new ATOM 409 N HIS A 29 1.784 -4.573 2.383 1.00 0.00 N ATOM 410 CA HIS A 29 2.473 -5.358 3.401 1.00 0.00 C ATOM 411 C HIS A 29 3.982 -5.333 3.177 1.00 0.00 C ATOM 412 O HIS A 29 4.737 -4.842 4.016 1.00 0.00 O ATOM 413 CB HIS A 29 1.968 -6.801 3.393 1.00 0.00 C ATOM 414 CG HIS A 29 0.800 -7.032 4.301 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.485 -8.269 4.823 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.131 -6.175 4.782 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.589 -8.163 5.583 1.00 0.00 C ATOM 418 NE2 HIS A 29 -0.983 -6.902 5.576 1.00 0.00 N ATOM 0 H HIS A 29 0.887 -4.959 2.089 1.00 0.00 H new ATOM 0 HA HIS A 29 2.260 -4.913 4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.686 -7.073 2.376 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.782 -7.464 3.686 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.192 -5.116 4.579 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.065 -8.970 6.120 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.789 -6.529 6.078 1.00 0.00 H new ATOM 426 N LYS A 30 4.415 -5.867 2.040 1.00 0.00 N ATOM 427 CA LYS A 30 5.833 -5.906 1.703 1.00 0.00 C ATOM 428 C LYS A 30 6.491 -4.555 1.963 1.00 0.00 C ATOM 429 O LYS A 30 7.549 -4.478 2.589 1.00 0.00 O ATOM 430 CB LYS A 30 6.020 -6.303 0.237 1.00 0.00 C ATOM 431 CG LYS A 30 5.769 -7.777 -0.030 1.00 0.00 C ATOM 432 CD LYS A 30 6.066 -8.140 -1.475 1.00 0.00 C ATOM 433 CE LYS A 30 5.126 -7.425 -2.434 1.00 0.00 C ATOM 434 NZ LYS A 30 5.464 -7.708 -3.857 1.00 0.00 N ATOM 0 H LYS A 30 3.803 -6.279 1.336 1.00 0.00 H new ATOM 0 HA LYS A 30 6.311 -6.652 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.345 -5.710 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.035 -6.054 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.391 -8.379 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.731 -8.018 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.097 -7.879 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.972 -9.218 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.100 -7.735 -2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.174 -6.351 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.801 -7.203 -4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.434 -7.389 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.393 -8.730 -4.034 1.00 0.00 H new ATOM 448 N LEU A 31 5.859 -3.491 1.479 1.00 0.00 N ATOM 449 CA LEU A 31 6.383 -2.142 1.660 1.00 0.00 C ATOM 450 C LEU A 31 6.505 -1.799 3.141 1.00 0.00 C ATOM 451 O LEU A 31 7.604 -1.572 3.647 1.00 0.00 O ATOM 452 CB LEU A 31 5.478 -1.125 0.963 1.00 0.00 C ATOM 453 CG LEU A 31 5.596 -1.054 -0.560 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.420 -0.294 -1.152 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.911 -0.404 -0.964 1.00 0.00 C ATOM 0 H LEU A 31 4.983 -3.537 0.958 1.00 0.00 H new ATOM 0 HA LEU A 31 7.377 -2.102 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.443 -1.355 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.694 -0.137 1.371 1.00 0.00 H new ATOM 0 HG LEU A 31 5.580 -2.070 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.522 -0.254 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.491 -0.802 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.403 0.720 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.977 -0.362 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.957 0.607 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.742 -0.990 -0.572 1.00 0.00 H new ATOM 467 N ALA A 32 5.370 -1.767 3.832 1.00 0.00 N ATOM 468 CA ALA A 32 5.350 -1.456 5.256 1.00 0.00 C ATOM 469 C ALA A 32 6.555 -2.064 5.966 1.00 0.00 C ATOM 470 O ALA A 32 7.094 -1.478 6.905 1.00 0.00 O ATOM 471 CB ALA A 32 4.057 -1.952 5.886 1.00 0.00 C ATOM 0 H ALA A 32 4.452 -1.953 3.428 1.00 0.00 H new ATOM 0 HA ALA A 32 5.403 -0.373 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.055 -1.713 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.208 -1.467 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.980 -3.032 5.756 1.00 0.00 H new ATOM 477 N MET A 33 6.971 -3.242 5.514 1.00 0.00 N ATOM 478 CA MET A 33 8.112 -3.929 6.107 1.00 0.00 C ATOM 479 C MET A 33 9.409 -3.182 5.813 1.00 0.00 C ATOM 480 O MET A 33 10.259 -3.022 6.690 1.00 0.00 O ATOM 481 CB MET A 33 8.204 -5.362 5.579 1.00 0.00 C ATOM 482 CG MET A 33 6.976 -6.203 5.887 1.00 0.00 C ATOM 483 SD MET A 33 6.769 -6.509 7.651 1.00 0.00 S ATOM 484 CE MET A 33 4.996 -6.748 7.747 1.00 0.00 C ATOM 0 H MET A 33 6.535 -3.741 4.739 1.00 0.00 H new ATOM 0 HA MET A 33 7.966 -3.957 7.187 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.354 -5.334 4.500 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.082 -5.844 6.010 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.089 -5.698 5.503 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.052 -7.156 5.363 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.711 -6.948 8.780 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.488 -5.849 7.398 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.708 -7.593 7.121 1.00 0.00 H new ATOM 494 N LYS A 34 9.556 -2.726 4.573 1.00 0.00 N ATOM 495 CA LYS A 34 10.748 -1.995 4.162 1.00 0.00 C ATOM 496 C LYS A 34 10.847 -0.660 4.894 1.00 0.00 C ATOM 497 O LYS A 34 11.942 -0.191 5.205 1.00 0.00 O ATOM 498 CB LYS A 34 10.732 -1.760 2.650 1.00 0.00 C ATOM 499 CG LYS A 34 11.820 -0.815 2.170 1.00 0.00 C ATOM 500 CD LYS A 34 11.496 -0.243 0.800 1.00 0.00 C ATOM 501 CE LYS A 34 11.784 -1.248 -0.305 1.00 0.00 C ATOM 502 NZ LYS A 34 10.615 -2.133 -0.568 1.00 0.00 N ATOM 0 H LYS A 34 8.863 -2.850 3.835 1.00 0.00 H new ATOM 0 HA LYS A 34 11.619 -2.597 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.843 -2.717 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.760 -1.358 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.939 -0.002 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.772 -1.345 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.446 0.047 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.082 0.661 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.050 -0.717 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.645 -1.856 -0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.898 -3.127 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.852 -1.909 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.277 -1.982 -1.540 1.00 0.00 H new ATOM 516 N TYR A 35 9.697 -0.054 5.167 1.00 0.00 N ATOM 517 CA TYR A 35 9.654 1.228 5.861 1.00 0.00 C ATOM 518 C TYR A 35 9.010 1.081 7.236 1.00 0.00 C ATOM 519 O TYR A 35 8.502 2.049 7.803 1.00 0.00 O ATOM 520 CB TYR A 35 8.883 2.256 5.031 1.00 0.00 C ATOM 521 CG TYR A 35 9.568 2.623 3.734 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.553 3.603 3.699 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.229 1.992 2.544 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.181 3.942 2.516 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.853 2.324 1.357 1.00 0.00 C ATOM 526 CZ TYR A 35 10.828 3.300 1.348 1.00 0.00 C ATOM 527 OH TYR A 35 11.450 3.634 0.167 1.00 0.00 O ATOM 0 H TYR A 35 8.782 -0.430 4.918 1.00 0.00 H new ATOM 0 HA TYR A 35 10.679 1.575 5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.891 1.862 4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.742 3.159 5.626 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.832 4.108 4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.465 1.229 2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.944 4.706 2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.579 1.822 0.441 1.00 0.00 H new ATOM 0 HH TYR A 35 11.086 3.088 -0.560 1.00 0.00 H new ATOM 537 N HIS A 36 9.036 -0.137 7.768 1.00 0.00 N ATOM 538 CA HIS A 36 8.456 -0.412 9.077 1.00 0.00 C ATOM 539 C HIS A 36 9.210 0.334 10.173 1.00 0.00 C ATOM 540 O HIS A 36 10.432 0.236 10.297 1.00 0.00 O ATOM 541 CB HIS A 36 8.474 -1.915 9.361 1.00 0.00 C ATOM 542 CG HIS A 36 7.402 -2.358 10.308 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.200 -1.777 11.543 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.468 -3.332 10.195 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.190 -2.376 12.148 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.728 -3.322 11.352 1.00 0.00 N ATOM 0 H HIS A 36 9.453 -0.949 7.312 1.00 0.00 H new ATOM 0 HA HIS A 36 7.423 -0.064 9.070 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.363 -2.455 8.421 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.446 -2.187 9.772 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.331 -3.993 9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.807 -2.133 13.128 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.948 -3.945 11.562 1.00 0.00 H new ATOM 554 N PRO A 37 8.469 1.098 10.988 1.00 0.00 N ATOM 555 CA PRO A 37 9.047 1.876 12.088 1.00 0.00 C ATOM 556 C PRO A 37 9.554 0.990 13.221 1.00 0.00 C ATOM 557 O PRO A 37 10.088 1.482 14.215 1.00 0.00 O ATOM 558 CB PRO A 37 7.876 2.738 12.567 1.00 0.00 C ATOM 559 CG PRO A 37 6.658 1.973 12.177 1.00 0.00 C ATOM 560 CD PRO A 37 7.008 1.262 10.899 1.00 0.00 C ATOM 0 HA PRO A 37 9.915 2.452 11.767 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.916 2.896 13.645 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.892 3.722 12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.378 1.263 12.955 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.808 2.640 12.033 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.500 0.301 10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.722 1.845 10.024 1.00 0.00 H new ATOM 568 N ASP A 38 9.385 -0.318 13.063 1.00 0.00 N ATOM 569 CA ASP A 38 9.828 -1.274 14.072 1.00 0.00 C ATOM 570 C ASP A 38 11.186 -1.862 13.705 1.00 0.00 C ATOM 571 O ASP A 38 12.051 -2.039 14.563 1.00 0.00 O ATOM 572 CB ASP A 38 8.799 -2.394 14.230 1.00 0.00 C ATOM 573 CG ASP A 38 7.559 -1.940 14.976 1.00 0.00 C ATOM 574 OD1 ASP A 38 7.187 -0.756 14.842 1.00 0.00 O ATOM 575 OD2 ASP A 38 6.962 -2.770 15.694 1.00 0.00 O ATOM 0 H ASP A 38 8.944 -0.741 12.246 1.00 0.00 H new ATOM 0 HA ASP A 38 9.926 -0.745 15.020 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.512 -2.762 13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.254 -3.229 14.762 1.00 0.00 H new ATOM 580 N LYS A 39 11.368 -2.164 12.423 1.00 0.00 N ATOM 581 CA LYS A 39 12.620 -2.733 11.941 1.00 0.00 C ATOM 582 C LYS A 39 13.550 -1.640 11.422 1.00 0.00 C ATOM 583 O LYS A 39 14.765 -1.710 11.600 1.00 0.00 O ATOM 584 CB LYS A 39 12.348 -3.753 10.833 1.00 0.00 C ATOM 585 CG LYS A 39 11.568 -4.968 11.304 1.00 0.00 C ATOM 586 CD LYS A 39 12.486 -6.027 11.892 1.00 0.00 C ATOM 587 CE LYS A 39 13.213 -6.801 10.803 1.00 0.00 C ATOM 588 NZ LYS A 39 12.327 -7.804 10.150 1.00 0.00 N ATOM 0 H LYS A 39 10.663 -2.024 11.699 1.00 0.00 H new ATOM 0 HA LYS A 39 13.107 -3.235 12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.795 -3.266 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.298 -4.082 10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.836 -4.664 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.012 -5.391 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.214 -5.554 12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.903 -6.717 12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.589 -6.106 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.078 -7.306 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.884 -8.379 9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.907 -8.421 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.570 -7.314 9.632 1.00 0.00 H new ATOM 602 N ASN A 40 12.969 -0.630 10.782 1.00 0.00 N ATOM 603 CA ASN A 40 13.746 0.478 10.239 1.00 0.00 C ATOM 604 C ASN A 40 14.183 1.431 11.347 1.00 0.00 C ATOM 605 O ASN A 40 13.373 2.183 11.890 1.00 0.00 O ATOM 606 CB ASN A 40 12.928 1.237 9.192 1.00 0.00 C ATOM 607 CG ASN A 40 13.799 1.862 8.119 1.00 0.00 C ATOM 608 OD1 ASN A 40 14.841 2.448 8.414 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.374 1.741 6.867 1.00 0.00 N ATOM 0 H ASN A 40 11.964 -0.556 10.627 1.00 0.00 H new ATOM 0 HA ASN A 40 14.637 0.066 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.216 0.555 8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.347 2.017 9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.918 2.142 6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.504 1.247 6.669 1.00 0.00 H new ATOM 616 N LYS A 41 15.469 1.394 11.678 1.00 0.00 N ATOM 617 CA LYS A 41 16.016 2.255 12.720 1.00 0.00 C ATOM 618 C LYS A 41 16.413 3.613 12.152 1.00 0.00 C ATOM 619 O LYS A 41 17.493 4.127 12.441 1.00 0.00 O ATOM 620 CB LYS A 41 17.230 1.590 13.374 1.00 0.00 C ATOM 621 CG LYS A 41 16.884 0.350 14.181 1.00 0.00 C ATOM 622 CD LYS A 41 16.325 0.711 15.547 1.00 0.00 C ATOM 623 CE LYS A 41 15.885 -0.526 16.314 1.00 0.00 C ATOM 624 NZ LYS A 41 15.487 -0.200 17.711 1.00 0.00 N ATOM 0 H LYS A 41 16.152 0.777 11.240 1.00 0.00 H new ATOM 0 HA LYS A 41 15.243 2.408 13.473 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.947 1.320 12.599 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.722 2.312 14.026 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.155 -0.249 13.635 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.775 -0.266 14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.081 1.246 16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.478 1.387 15.428 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.047 -0.994 15.798 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.697 -1.253 16.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.194 -1.070 18.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.294 0.224 18.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.695 0.474 17.698 1.00 0.00 H new ATOM 638 N SER A 42 15.531 4.191 11.342 1.00 0.00 N ATOM 639 CA SER A 42 15.790 5.489 10.731 1.00 0.00 C ATOM 640 C SER A 42 14.577 6.404 10.864 1.00 0.00 C ATOM 641 O SER A 42 13.429 5.959 10.874 1.00 0.00 O ATOM 642 CB SER A 42 16.155 5.318 9.255 1.00 0.00 C ATOM 643 OG SER A 42 17.475 4.825 9.110 1.00 0.00 O ATOM 0 H SER A 42 14.631 3.780 11.094 1.00 0.00 H new ATOM 0 HA SER A 42 16.629 5.948 11.254 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.453 4.632 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.062 6.275 8.741 1.00 0.00 H new ATOM 0 HG SER A 42 17.683 4.723 8.158 1.00 0.00 H new ATOM 649 N PRO A 43 14.835 7.716 10.969 1.00 0.00 N ATOM 650 CA PRO A 43 13.778 8.723 11.102 1.00 0.00 C ATOM 651 C PRO A 43 12.966 8.885 9.822 1.00 0.00 C ATOM 652 O PRO A 43 11.742 9.011 9.863 1.00 0.00 O ATOM 653 CB PRO A 43 14.549 10.008 11.413 1.00 0.00 C ATOM 654 CG PRO A 43 15.901 9.790 10.827 1.00 0.00 C ATOM 655 CD PRO A 43 16.179 8.318 10.964 1.00 0.00 C ATOM 0 HA PRO A 43 13.050 8.451 11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.062 10.878 10.972 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.607 10.185 12.487 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.927 10.096 9.781 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.653 10.380 11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.783 7.945 10.137 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.722 8.095 11.882 1.00 0.00 H new ATOM 663 N ASP A 44 13.655 8.881 8.686 1.00 0.00 N ATOM 664 CA ASP A 44 12.997 9.026 7.392 1.00 0.00 C ATOM 665 C ASP A 44 11.994 7.900 7.164 1.00 0.00 C ATOM 666 O ASP A 44 10.928 8.114 6.587 1.00 0.00 O ATOM 667 CB ASP A 44 14.034 9.038 6.268 1.00 0.00 C ATOM 668 CG ASP A 44 14.988 7.862 6.347 1.00 0.00 C ATOM 669 OD1 ASP A 44 14.605 6.757 5.911 1.00 0.00 O ATOM 670 OD2 ASP A 44 16.118 8.047 6.847 1.00 0.00 O ATOM 0 H ASP A 44 14.669 8.779 8.635 1.00 0.00 H new ATOM 0 HA ASP A 44 12.459 9.974 7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.522 9.023 5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.603 9.967 6.312 1.00 0.00 H new ATOM 675 N ALA A 45 12.343 6.702 7.619 1.00 0.00 N ATOM 676 CA ALA A 45 11.472 5.543 7.465 1.00 0.00 C ATOM 677 C ALA A 45 10.087 5.817 8.040 1.00 0.00 C ATOM 678 O ALA A 45 9.074 5.554 7.392 1.00 0.00 O ATOM 679 CB ALA A 45 12.092 4.325 8.134 1.00 0.00 C ATOM 0 H ALA A 45 13.223 6.508 8.097 1.00 0.00 H new ATOM 0 HA ALA A 45 11.361 5.342 6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.431 3.467 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.056 4.109 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.233 4.526 9.196 1.00 0.00 H new ATOM 685 N GLU A 46 10.051 6.345 9.259 1.00 0.00 N ATOM 686 CA GLU A 46 8.788 6.653 9.920 1.00 0.00 C ATOM 687 C GLU A 46 7.848 7.400 8.978 1.00 0.00 C ATOM 688 O GLU A 46 6.687 7.026 8.817 1.00 0.00 O ATOM 689 CB GLU A 46 9.036 7.487 11.179 1.00 0.00 C ATOM 690 CG GLU A 46 7.823 7.591 12.089 1.00 0.00 C ATOM 691 CD GLU A 46 8.101 8.402 13.340 1.00 0.00 C ATOM 692 OE1 GLU A 46 9.041 8.045 14.081 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.378 9.392 13.578 1.00 0.00 O ATOM 0 H GLU A 46 10.881 6.568 9.809 1.00 0.00 H new ATOM 0 HA GLU A 46 8.317 5.712 10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.863 7.049 11.738 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.346 8.490 10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.999 8.048 11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.500 6.590 12.374 1.00 0.00 H new ATOM 700 N ALA A 47 8.360 8.460 8.360 1.00 0.00 N ATOM 701 CA ALA A 47 7.568 9.259 7.433 1.00 0.00 C ATOM 702 C ALA A 47 7.085 8.418 6.257 1.00 0.00 C ATOM 703 O ALA A 47 5.887 8.353 5.977 1.00 0.00 O ATOM 704 CB ALA A 47 8.377 10.448 6.937 1.00 0.00 C ATOM 0 H ALA A 47 9.319 8.785 8.485 1.00 0.00 H new ATOM 0 HA ALA A 47 6.692 9.627 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.773 11.036 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.667 11.069 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.271 10.092 6.425 1.00 0.00 H new ATOM 710 N LYS A 48 8.023 7.776 5.569 1.00 0.00 N ATOM 711 CA LYS A 48 7.694 6.938 4.423 1.00 0.00 C ATOM 712 C LYS A 48 6.427 6.129 4.685 1.00 0.00 C ATOM 713 O LYS A 48 5.473 6.182 3.909 1.00 0.00 O ATOM 714 CB LYS A 48 8.856 5.996 4.103 1.00 0.00 C ATOM 715 CG LYS A 48 9.998 6.668 3.360 1.00 0.00 C ATOM 716 CD LYS A 48 9.757 6.677 1.859 1.00 0.00 C ATOM 717 CE LYS A 48 8.759 7.754 1.462 1.00 0.00 C ATOM 718 NZ LYS A 48 8.970 8.217 0.062 1.00 0.00 N ATOM 0 H LYS A 48 9.019 7.820 5.786 1.00 0.00 H new ATOM 0 HA LYS A 48 7.517 7.590 3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.237 5.574 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.484 5.164 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.114 7.691 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.931 6.147 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.700 6.844 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.387 5.702 1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.746 7.367 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.849 8.601 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.270 8.951 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.928 8.610 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.859 7.414 -0.590 1.00 0.00 H new ATOM 732 N PHE A 49 6.425 5.383 5.785 1.00 0.00 N ATOM 733 CA PHE A 49 5.275 4.564 6.150 1.00 0.00 C ATOM 734 C PHE A 49 3.999 5.400 6.180 1.00 0.00 C ATOM 735 O PHE A 49 2.924 4.923 5.818 1.00 0.00 O ATOM 736 CB PHE A 49 5.502 3.908 7.514 1.00 0.00 C ATOM 737 CG PHE A 49 4.356 3.048 7.963 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.117 1.822 7.364 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.518 3.465 8.985 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.062 1.028 7.775 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.462 2.675 9.401 1.00 0.00 C ATOM 742 CZ PHE A 49 2.235 1.455 8.796 1.00 0.00 C ATOM 0 H PHE A 49 7.206 5.329 6.439 1.00 0.00 H new ATOM 0 HA PHE A 49 5.160 3.786 5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.406 3.301 7.470 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.676 4.686 8.258 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.762 1.482 6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.692 4.418 9.462 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.885 0.075 7.298 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.816 3.012 10.198 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.412 0.835 9.120 1.00 0.00 H new ATOM 752 N ARG A 50 4.128 6.649 6.615 1.00 0.00 N ATOM 753 CA ARG A 50 2.986 7.551 6.695 1.00 0.00 C ATOM 754 C ARG A 50 2.342 7.737 5.324 1.00 0.00 C ATOM 755 O ARG A 50 1.165 8.081 5.222 1.00 0.00 O ATOM 756 CB ARG A 50 3.419 8.908 7.255 1.00 0.00 C ATOM 757 CG ARG A 50 2.276 9.712 7.853 1.00 0.00 C ATOM 758 CD ARG A 50 1.726 9.052 9.107 1.00 0.00 C ATOM 759 NE ARG A 50 0.669 8.091 8.801 1.00 0.00 N ATOM 760 CZ ARG A 50 -0.544 8.440 8.388 1.00 0.00 C ATOM 761 NH1 ARG A 50 -0.852 9.720 8.232 1.00 0.00 N ATOM 762 NH2 ARG A 50 -1.452 7.507 8.129 1.00 0.00 N ATOM 0 H ARG A 50 5.012 7.059 6.917 1.00 0.00 H new ATOM 0 HA ARG A 50 2.250 7.106 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.180 8.750 8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.883 9.489 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.623 10.717 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.479 9.817 7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.534 8.546 9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.337 9.817 9.779 1.00 0.00 H new ATOM 0 HE ARG A 50 0.874 7.098 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.157 10.440 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.784 9.985 7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.218 6.521 8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.383 7.776 7.812 1.00 0.00 H new ATOM 776 N GLU A 51 3.123 7.506 4.273 1.00 0.00 N ATOM 777 CA GLU A 51 2.629 7.649 2.909 1.00 0.00 C ATOM 778 C GLU A 51 2.143 6.309 2.363 1.00 0.00 C ATOM 779 O GLU A 51 1.248 6.260 1.518 1.00 0.00 O ATOM 780 CB GLU A 51 3.725 8.213 2.003 1.00 0.00 C ATOM 781 CG GLU A 51 4.147 9.627 2.366 1.00 0.00 C ATOM 782 CD GLU A 51 3.980 9.925 3.843 1.00 0.00 C ATOM 783 OE1 GLU A 51 2.822 10.022 4.301 1.00 0.00 O ATOM 784 OE2 GLU A 51 5.006 10.060 4.541 1.00 0.00 O ATOM 0 H GLU A 51 4.100 7.219 4.340 1.00 0.00 H new ATOM 0 HA GLU A 51 1.788 8.342 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.596 7.559 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.374 8.201 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.190 9.774 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.558 10.338 1.787 1.00 0.00 H new ATOM 791 N ILE A 52 2.738 5.227 2.852 1.00 0.00 N ATOM 792 CA ILE A 52 2.365 3.887 2.414 1.00 0.00 C ATOM 793 C ILE A 52 1.047 3.450 3.043 1.00 0.00 C ATOM 794 O ILE A 52 0.144 2.978 2.353 1.00 0.00 O ATOM 795 CB ILE A 52 3.455 2.857 2.765 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.845 3.464 2.566 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.292 1.604 1.917 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.937 2.431 2.399 1.00 0.00 C ATOM 0 H ILE A 52 3.480 5.251 3.551 1.00 0.00 H new ATOM 0 HA ILE A 52 2.251 3.929 1.331 1.00 0.00 H new ATOM 0 HB ILE A 52 3.348 2.580 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.829 4.109 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.082 4.097 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.069 0.885 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.313 1.163 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.377 1.865 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.895 2.933 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.981 1.801 3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.723 1.813 1.527 1.00 0.00 H new ATOM 810 N ALA A 53 0.942 3.613 4.358 1.00 0.00 N ATOM 811 CA ALA A 53 -0.268 3.239 5.080 1.00 0.00 C ATOM 812 C ALA A 53 -1.492 3.939 4.501 1.00 0.00 C ATOM 813 O ALA A 53 -2.410 3.291 4.001 1.00 0.00 O ATOM 814 CB ALA A 53 -0.121 3.565 6.559 1.00 0.00 C ATOM 0 H ALA A 53 1.680 4.002 4.945 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.411 2.164 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.032 3.281 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.724 3.014 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.050 4.635 6.681 1.00 0.00 H new ATOM 820 N GLU A 54 -1.497 5.267 4.572 1.00 0.00 N ATOM 821 CA GLU A 54 -2.610 6.054 4.054 1.00 0.00 C ATOM 822 C GLU A 54 -3.004 5.587 2.656 1.00 0.00 C ATOM 823 O GLU A 54 -4.187 5.504 2.328 1.00 0.00 O ATOM 824 CB GLU A 54 -2.243 7.539 4.023 1.00 0.00 C ATOM 825 CG GLU A 54 -3.303 8.415 3.378 1.00 0.00 C ATOM 826 CD GLU A 54 -4.644 8.321 4.079 1.00 0.00 C ATOM 827 OE1 GLU A 54 -5.335 7.296 3.903 1.00 0.00 O ATOM 828 OE2 GLU A 54 -5.002 9.273 4.803 1.00 0.00 O ATOM 0 H GLU A 54 -0.744 5.819 4.982 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.462 5.911 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.071 7.883 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.304 7.661 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.966 9.451 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.422 8.125 2.334 1.00 0.00 H new ATOM 835 N ALA A 55 -2.003 5.283 1.836 1.00 0.00 N ATOM 836 CA ALA A 55 -2.244 4.823 0.474 1.00 0.00 C ATOM 837 C ALA A 55 -2.997 3.497 0.468 1.00 0.00 C ATOM 838 O ALA A 55 -3.866 3.270 -0.374 1.00 0.00 O ATOM 839 CB ALA A 55 -0.928 4.689 -0.278 1.00 0.00 C ATOM 0 H ALA A 55 -1.018 5.347 2.091 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.864 5.565 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.123 4.345 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.428 5.657 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.289 3.969 0.233 1.00 0.00 H new ATOM 845 N TYR A 56 -2.657 2.625 1.411 1.00 0.00 N ATOM 846 CA TYR A 56 -3.299 1.320 1.511 1.00 0.00 C ATOM 847 C TYR A 56 -4.708 1.449 2.082 1.00 0.00 C ATOM 848 O TYR A 56 -5.674 0.961 1.496 1.00 0.00 O ATOM 849 CB TYR A 56 -2.465 0.384 2.388 1.00 0.00 C ATOM 850 CG TYR A 56 -3.228 -0.825 2.879 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.346 -1.964 2.092 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.832 -0.829 4.131 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.043 -3.071 2.536 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.529 -1.932 4.584 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.632 -3.050 3.783 1.00 0.00 C ATOM 856 OH TYR A 56 -5.327 -4.150 4.231 1.00 0.00 O ATOM 0 H TYR A 56 -1.941 2.798 2.116 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.370 0.900 0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.595 0.049 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.092 0.941 3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.885 -1.984 1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.755 0.045 4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.126 -3.948 1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.991 -1.919 5.560 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.248 -4.113 3.898 1.00 0.00 H new ATOM 866 N GLU A 57 -4.816 2.110 3.231 1.00 0.00 N ATOM 867 CA GLU A 57 -6.107 2.303 3.882 1.00 0.00 C ATOM 868 C GLU A 57 -7.217 2.474 2.849 1.00 0.00 C ATOM 869 O GLU A 57 -8.236 1.784 2.896 1.00 0.00 O ATOM 870 CB GLU A 57 -6.060 3.523 4.804 1.00 0.00 C ATOM 871 CG GLU A 57 -5.091 3.373 5.964 1.00 0.00 C ATOM 872 CD GLU A 57 -5.737 2.751 7.187 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.624 3.398 7.782 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.355 1.619 7.550 1.00 0.00 O ATOM 0 H GLU A 57 -4.026 2.520 3.729 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.322 1.415 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.780 4.399 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.059 3.709 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.248 2.758 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.691 4.352 6.227 1.00 0.00 H new ATOM 881 N THR A 58 -7.012 3.399 1.916 1.00 0.00 N ATOM 882 CA THR A 58 -7.995 3.663 0.873 1.00 0.00 C ATOM 883 C THR A 58 -8.179 2.448 -0.030 1.00 0.00 C ATOM 884 O THR A 58 -9.302 2.000 -0.263 1.00 0.00 O ATOM 885 CB THR A 58 -7.587 4.872 0.010 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.251 5.982 0.850 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.712 5.266 -0.935 1.00 0.00 C ATOM 0 H THR A 58 -6.174 3.978 1.862 1.00 0.00 H new ATOM 0 HA THR A 58 -8.937 3.885 1.375 1.00 0.00 H new ATOM 0 HB THR A 58 -6.717 4.590 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.568 6.530 0.410 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.401 6.122 -1.534 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.945 4.428 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.597 5.531 -0.357 1.00 0.00 H new ATOM 895 N LEU A 59 -7.070 1.918 -0.534 1.00 0.00 N ATOM 896 CA LEU A 59 -7.109 0.753 -1.411 1.00 0.00 C ATOM 897 C LEU A 59 -7.360 -0.522 -0.612 1.00 0.00 C ATOM 898 O LEU A 59 -7.362 -1.622 -1.164 1.00 0.00 O ATOM 899 CB LEU A 59 -5.797 0.631 -2.188 1.00 0.00 C ATOM 900 CG LEU A 59 -5.316 1.898 -2.896 1.00 0.00 C ATOM 901 CD1 LEU A 59 -3.986 1.650 -3.590 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.359 2.379 -3.895 1.00 0.00 C ATOM 0 H LEU A 59 -6.133 2.276 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.930 0.886 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.018 0.307 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.911 -0.156 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.172 2.677 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.660 2.563 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.241 1.353 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.103 0.856 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.000 3.282 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.535 1.603 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.290 2.598 -3.372 1.00 0.00 H new ATOM 914 N SER A 60 -7.574 -0.365 0.690 1.00 0.00 N ATOM 915 CA SER A 60 -7.825 -1.504 1.566 1.00 0.00 C ATOM 916 C SER A 60 -9.323 -1.754 1.716 1.00 0.00 C ATOM 917 O SER A 60 -9.811 -2.852 1.444 1.00 0.00 O ATOM 918 CB SER A 60 -7.197 -1.266 2.940 1.00 0.00 C ATOM 919 OG SER A 60 -7.275 -2.430 3.745 1.00 0.00 O ATOM 0 H SER A 60 -7.579 0.539 1.162 1.00 0.00 H new ATOM 0 HA SER A 60 -7.370 -2.385 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.154 -0.972 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.706 -0.441 3.438 1.00 0.00 H new ATOM 0 HG SER A 60 -6.541 -2.428 4.395 1.00 0.00 H new ATOM 925 N ASP A 61 -10.047 -0.728 2.149 1.00 0.00 N ATOM 926 CA ASP A 61 -11.490 -0.834 2.334 1.00 0.00 C ATOM 927 C ASP A 61 -12.213 -0.822 0.991 1.00 0.00 C ATOM 928 O ASP A 61 -11.712 -0.272 0.011 1.00 0.00 O ATOM 929 CB ASP A 61 -11.998 0.310 3.212 1.00 0.00 C ATOM 930 CG ASP A 61 -11.983 -0.040 4.687 1.00 0.00 C ATOM 931 OD1 ASP A 61 -11.017 -0.696 5.131 1.00 0.00 O ATOM 932 OD2 ASP A 61 -12.936 0.342 5.397 1.00 0.00 O ATOM 0 H ASP A 61 -9.659 0.187 2.379 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.699 -1.782 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.381 1.193 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.014 0.569 2.914 1.00 0.00 H new ATOM 937 N ALA A 62 -13.392 -1.433 0.954 1.00 0.00 N ATOM 938 CA ALA A 62 -14.184 -1.491 -0.268 1.00 0.00 C ATOM 939 C ALA A 62 -14.674 -0.105 -0.672 1.00 0.00 C ATOM 940 O ALA A 62 -14.217 0.461 -1.664 1.00 0.00 O ATOM 941 CB ALA A 62 -15.362 -2.438 -0.090 1.00 0.00 C ATOM 0 H ALA A 62 -13.820 -1.895 1.756 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.546 -1.869 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.945 -2.471 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.994 -3.437 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.993 -2.085 0.726 1.00 0.00 H new ATOM 947 N ASN A 63 -15.607 0.437 0.104 1.00 0.00 N ATOM 948 CA ASN A 63 -16.160 1.758 -0.174 1.00 0.00 C ATOM 949 C ASN A 63 -15.047 2.777 -0.397 1.00 0.00 C ATOM 950 O ASN A 63 -15.092 3.563 -1.344 1.00 0.00 O ATOM 951 CB ASN A 63 -17.058 2.211 0.979 1.00 0.00 C ATOM 952 CG ASN A 63 -18.026 1.129 1.417 1.00 0.00 C ATOM 953 OD1 ASN A 63 -18.396 0.255 0.632 1.00 0.00 O ATOM 954 ND2 ASN A 63 -18.442 1.182 2.677 1.00 0.00 N ATOM 0 H ASN A 63 -15.996 -0.018 0.930 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.755 1.691 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.437 2.504 1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.619 3.095 0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -19.094 0.481 3.029 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -18.110 1.924 3.293 1.00 0.00 H new ATOM 961 N ARG A 64 -14.049 2.758 0.480 1.00 0.00 N ATOM 962 CA ARG A 64 -12.925 3.680 0.380 1.00 0.00 C ATOM 963 C ARG A 64 -12.255 3.574 -0.987 1.00 0.00 C ATOM 964 O ARG A 64 -12.147 4.560 -1.715 1.00 0.00 O ATOM 965 CB ARG A 64 -11.905 3.397 1.484 1.00 0.00 C ATOM 966 CG ARG A 64 -12.405 3.738 2.878 1.00 0.00 C ATOM 967 CD ARG A 64 -11.262 3.812 3.877 1.00 0.00 C ATOM 968 NE ARG A 64 -11.548 4.740 4.968 1.00 0.00 N ATOM 969 CZ ARG A 64 -10.736 4.932 6.002 1.00 0.00 C ATOM 970 NH1 ARG A 64 -9.594 4.264 6.085 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.066 5.794 6.955 1.00 0.00 N ATOM 0 H ARG A 64 -13.996 2.113 1.269 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.307 4.694 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.632 2.342 1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.998 3.967 1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.931 4.693 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.124 2.986 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.073 2.819 4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.352 4.124 3.364 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.419 5.270 4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.337 3.601 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.972 4.413 6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.944 6.310 6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.442 5.941 7.748 1.00 0.00 H new ATOM 985 N ARG A 65 -11.806 2.370 -1.328 1.00 0.00 N ATOM 986 CA ARG A 65 -11.144 2.135 -2.605 1.00 0.00 C ATOM 987 C ARG A 65 -12.092 2.417 -3.768 1.00 0.00 C ATOM 988 O ARG A 65 -11.665 2.836 -4.844 1.00 0.00 O ATOM 989 CB ARG A 65 -10.638 0.694 -2.684 1.00 0.00 C ATOM 990 CG ARG A 65 -9.740 0.428 -3.881 1.00 0.00 C ATOM 991 CD ARG A 65 -10.543 -0.026 -5.090 1.00 0.00 C ATOM 992 NE ARG A 65 -9.694 -0.619 -6.120 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.156 -1.083 -7.275 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.452 -1.023 -7.547 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.320 -1.609 -8.162 1.00 0.00 N ATOM 0 H ARG A 65 -11.889 1.543 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.295 2.815 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.091 0.460 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.493 0.019 -2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.186 1.333 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.005 -0.335 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.292 -0.752 -4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.080 0.825 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.691 -0.680 -5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.097 -0.619 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.804 -1.380 -8.435 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.322 -1.657 -7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.676 -1.965 -9.049 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.381 2.183 -3.544 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.390 2.412 -4.571 1.00 0.00 C ATOM 1011 C LYS A 66 -14.494 3.895 -4.911 1.00 0.00 C ATOM 1012 O LYS A 66 -14.717 4.262 -6.064 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.750 1.889 -4.103 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.691 1.538 -5.243 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.843 0.669 -4.767 1.00 0.00 C ATOM 1016 CE LYS A 66 -17.463 -0.804 -4.757 1.00 0.00 C ATOM 1017 NZ LYS A 66 -18.416 -1.617 -3.953 1.00 0.00 N ATOM 0 H LYS A 66 -13.751 1.835 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.088 1.872 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.597 1.005 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.222 2.642 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.083 2.453 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.139 1.016 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.141 0.976 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.706 0.819 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.438 -1.180 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.457 -0.917 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.122 -2.615 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.421 -1.275 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.371 -1.530 -4.355 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.329 4.743 -3.900 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.403 6.186 -4.094 1.00 0.00 C ATOM 1033 C GLU A 67 -13.106 6.722 -4.693 1.00 0.00 C ATOM 1034 O GLU A 67 -13.125 7.489 -5.656 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.693 6.888 -2.766 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.015 6.480 -2.138 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.635 7.590 -1.311 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.982 8.050 -0.351 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.773 7.998 -1.624 1.00 0.00 O ATOM 0 H GLU A 67 -14.143 4.455 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.216 6.391 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.886 6.671 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.694 7.966 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.711 6.185 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.858 5.605 -1.506 1.00 0.00 H new ATOM 1046 N TYR A 68 -11.982 6.314 -4.115 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.675 6.755 -4.589 1.00 0.00 C ATOM 1048 C TYR A 68 -10.476 6.389 -6.057 1.00 0.00 C ATOM 1049 O TYR A 68 -9.657 6.990 -6.752 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.565 6.132 -3.741 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.181 6.330 -4.316 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.574 7.580 -4.303 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.480 5.267 -4.872 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.310 7.766 -4.827 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.214 5.443 -5.397 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.634 6.694 -5.373 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.374 6.874 -5.897 1.00 0.00 O ATOM 0 H TYR A 68 -11.949 5.679 -3.318 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.629 7.840 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.599 6.563 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.756 5.064 -3.635 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.100 8.421 -3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.932 4.287 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.853 8.745 -4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.682 4.606 -5.824 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.429 6.912 -6.875 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.231 5.399 -6.520 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.140 4.953 -7.906 1.00 0.00 C ATOM 1069 C ASP A 69 -12.148 5.689 -8.782 1.00 0.00 C ATOM 1070 O ASP A 69 -11.847 6.061 -9.916 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.374 3.444 -7.994 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.688 2.820 -9.193 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.698 3.445 -10.274 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -10.140 1.706 -9.051 1.00 0.00 O ATOM 0 H ASP A 69 -11.912 4.890 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.138 5.180 -8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.010 2.969 -7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.445 3.248 -8.049 1.00 0.00 H new ATOM 1079 N THR A 70 -13.348 5.896 -8.248 1.00 0.00 N ATOM 1080 CA THR A 70 -14.402 6.585 -8.981 1.00 0.00 C ATOM 1081 C THR A 70 -14.190 8.094 -8.960 1.00 0.00 C ATOM 1082 O THR A 70 -14.765 8.824 -9.768 1.00 0.00 O ATOM 1083 CB THR A 70 -15.793 6.265 -8.400 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.800 6.480 -9.394 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.082 7.129 -7.182 1.00 0.00 C ATOM 0 H THR A 70 -13.614 5.596 -7.310 1.00 0.00 H new ATOM 0 HA THR A 70 -14.356 6.229 -10.010 1.00 0.00 H new ATOM 0 HB THR A 70 -15.803 5.219 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.576 7.276 -9.920 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.069 6.885 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.330 6.941 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.054 8.181 -7.467 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.361 8.557 -8.030 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.072 9.982 -7.904 1.00 0.00 C ATOM 1095 C LEU A 71 -11.647 10.290 -8.350 1.00 0.00 C ATOM 1096 O LEU A 71 -11.419 11.187 -9.160 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.276 10.437 -6.458 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.679 10.239 -5.883 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.654 10.346 -4.366 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.646 11.254 -6.476 1.00 0.00 C ATOM 0 H LEU A 71 -12.878 7.967 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.760 10.526 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.567 9.901 -5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.024 11.496 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.023 9.240 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.661 10.202 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.994 9.581 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.289 11.332 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.640 11.099 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.306 12.262 -6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.686 11.129 -7.558 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.689 9.537 -7.817 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.298 9.744 -8.173 1.00 0.00 C ATOM 1114 C GLY A 72 -8.421 10.001 -6.964 1.00 0.00 C ATOM 1115 O GLY A 72 -8.614 9.397 -5.908 1.00 0.00 O ATOM 0 H GLY A 72 -10.852 8.787 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.929 8.868 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.224 10.589 -8.858 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.454 10.900 -7.117 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.543 11.236 -6.028 1.00 0.00 C ATOM 1121 C HIS A 73 -6.672 12.707 -5.647 1.00 0.00 C ATOM 1122 O HIS A 73 -6.479 13.077 -4.488 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.100 10.925 -6.428 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.083 11.483 -5.481 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.675 10.824 -4.340 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.388 12.644 -5.511 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -2.776 11.556 -3.709 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.583 12.666 -4.399 1.00 0.00 N ATOM 0 H HIS A 73 -7.281 11.409 -7.984 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.811 10.630 -5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.973 9.844 -6.489 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.914 11.324 -7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.454 13.411 -6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.282 11.292 -2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.941 13.417 -4.147 1.00 0.00 H new ATOM 1136 N SER A 74 -6.997 13.542 -6.628 1.00 0.00 N ATOM 1137 CA SER A 74 -7.147 14.974 -6.396 1.00 0.00 C ATOM 1138 C SER A 74 -8.560 15.303 -5.925 1.00 0.00 C ATOM 1139 O SER A 74 -8.785 16.315 -5.261 1.00 0.00 O ATOM 1140 CB SER A 74 -6.828 15.755 -7.672 1.00 0.00 C ATOM 1141 OG SER A 74 -6.651 17.134 -7.396 1.00 0.00 O ATOM 0 H SER A 74 -7.162 13.252 -7.592 1.00 0.00 H new ATOM 0 HA SER A 74 -6.445 15.266 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.924 15.354 -8.131 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.636 15.626 -8.392 1.00 0.00 H new ATOM 0 HG SER A 74 -6.447 17.610 -8.228 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.509 14.440 -6.273 1.00 0.00 N ATOM 1148 CA ALA A 75 -10.900 14.637 -5.885 1.00 0.00 C ATOM 1149 C ALA A 75 -11.193 13.981 -4.540 1.00 0.00 C ATOM 1150 O ALA A 75 -11.572 14.651 -3.580 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.830 14.088 -6.956 1.00 0.00 C ATOM 0 H ALA A 75 -9.340 13.598 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.074 15.708 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.865 14.242 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.647 14.606 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.645 13.022 -7.087 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.015 12.665 -4.478 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.261 11.917 -3.251 1.00 0.00 C ATOM 1159 C PHE A 76 -10.551 12.566 -2.066 1.00 0.00 C ATOM 1160 O PHE A 76 -11.088 12.623 -0.960 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.795 10.469 -3.408 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.747 9.710 -2.113 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.680 9.863 -1.244 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -11.771 8.843 -1.765 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -9.633 9.166 -0.051 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -11.730 8.144 -0.574 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.659 8.305 0.284 1.00 0.00 C ATOM 0 H PHE A 76 -10.701 12.095 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.334 11.927 -3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.464 9.953 -4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.803 10.462 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.875 10.535 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.610 8.712 -2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.795 9.295 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.535 7.472 -0.314 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.625 7.758 1.215 1.00 0.00 H new