USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 5 THR OG1 : rot -110:sc= -2.56! USER MOD Set 1.2: A 8 THR OG1 : rot -102:sc= 1.13! USER MOD Single : A 1 ILE N :NH3+ 133:sc= -1.86! (180deg=-2.92!) USER MOD Single : A 4 HIS : no HD1:sc= -15.8! C(o=-16!,f=-17!) USER MOD Single : A 6 THR OG1 : rot 52:sc= -6.04! USER MOD Single : A 9 SER OG : rot 180:sc= -3.14! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 21 ASN : amide:sc= -6.36! K(o=-6.4!,f=-2.7) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -104:sc=-0.000793 (180deg=-0.022) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00258 USER MOD Single : A 61 SER OG : rot 71:sc= 0.525 USER MOD Single : A 62 THR OG1 : rot 85:sc= 0.731 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -8.41! C(o=-8.4!,f=-9.6!) USER MOD Single : A 68 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-6.4!) USER MOD Single : A 70 LYS NZ :NH3+ -137:sc= -3.21! (180deg=-4.74!) USER MOD Single : A 71 GLN : amide:sc= -5.85! C(o=-5.9!,f=-2.3!) USER MOD Single : B 3 TYR OH : rot 25:sc= -4.31! USER MOD Single : B 4 TYR OH : rot 141:sc= -5.01! USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 7 SER OG : rot 72:sc= 0.32 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.890 15.593 -0.425 1.00 0.00 N ATOM 2 CA ILE A 1 6.684 15.044 -1.110 1.00 0.00 C ATOM 3 C ILE A 1 5.785 14.324 -0.100 1.00 0.00 C ATOM 4 O ILE A 1 5.967 14.438 1.096 1.00 0.00 O ATOM 5 CB ILE A 1 7.228 14.058 -2.144 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.126 13.033 -1.447 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.043 14.816 -3.195 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.706 12.072 -2.487 1.00 0.00 C ATOM 0 H1 ILE A 1 8.740 15.352 -0.973 1.00 0.00 H new ATOM 0 H2 ILE A 1 7.807 16.627 -0.351 1.00 0.00 H new ATOM 0 H3 ILE A 1 7.965 15.183 0.528 1.00 0.00 H new ATOM 0 HA ILE A 1 6.080 15.825 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 1 6.397 13.546 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.931 13.541 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.554 12.479 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.431 14.112 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.406 15.547 -3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.874 15.329 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 1 9.346 11.342 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.894 11.555 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.293 12.634 -3.214 1.00 0.00 H new ATOM 22 N VAL A 2 4.817 13.585 -0.570 1.00 0.00 N ATOM 23 CA VAL A 2 3.910 12.862 0.370 1.00 0.00 C ATOM 24 C VAL A 2 3.620 11.456 -0.151 1.00 0.00 C ATOM 25 O VAL A 2 3.741 11.180 -1.328 1.00 0.00 O ATOM 26 CB VAL A 2 2.622 13.682 0.408 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.824 13.321 1.659 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.962 15.172 0.443 1.00 0.00 C ATOM 0 H VAL A 2 4.614 13.450 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 2 4.355 12.757 1.359 1.00 0.00 H new ATOM 0 HB VAL A 2 2.031 13.463 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.905 13.906 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.578 12.259 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.419 13.539 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.041 15.755 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.555 15.389 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.532 15.436 -0.447 1.00 0.00 H new ATOM 38 N CYS A 3 3.246 10.565 0.721 1.00 0.00 N ATOM 39 CA CYS A 3 2.958 9.171 0.289 1.00 0.00 C ATOM 40 C CYS A 3 1.663 8.669 0.929 1.00 0.00 C ATOM 41 O CYS A 3 1.240 9.169 1.948 1.00 0.00 O ATOM 42 CB CYS A 3 4.136 8.355 0.801 1.00 0.00 C ATOM 43 SG CYS A 3 5.686 9.250 0.516 1.00 0.00 S ATOM 0 H CYS A 3 3.127 10.743 1.718 1.00 0.00 H new ATOM 0 HA CYS A 3 2.833 9.096 -0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.014 8.154 1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.166 7.390 0.296 1.00 0.00 H new ATOM 48 N HIS A 4 1.047 7.667 0.356 1.00 0.00 N ATOM 49 CA HIS A 4 -0.213 7.125 0.950 1.00 0.00 C ATOM 50 C HIS A 4 0.086 5.865 1.739 1.00 0.00 C ATOM 51 O HIS A 4 1.032 5.161 1.456 1.00 0.00 O ATOM 52 CB HIS A 4 -1.110 6.771 -0.214 1.00 0.00 C ATOM 53 CG HIS A 4 -1.292 7.957 -1.121 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.743 9.178 -0.649 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.120 8.120 -2.474 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.829 10.014 -1.698 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.460 9.420 -2.836 1.00 0.00 N ATOM 0 H HIS A 4 1.361 7.201 -0.496 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.675 7.851 1.619 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.678 5.941 -0.774 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.079 6.436 0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.774 7.355 -3.154 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.157 11.041 -1.629 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.433 9.831 -3.769 1.00 0.00 H new ATOM 65 N THR A 5 -0.715 5.546 2.711 1.00 0.00 N ATOM 66 CA THR A 5 -0.447 4.311 3.470 1.00 0.00 C ATOM 67 C THR A 5 -1.619 3.351 3.305 1.00 0.00 C ATOM 68 O THR A 5 -2.563 3.320 4.067 1.00 0.00 O ATOM 69 CB THR A 5 -0.250 4.720 4.926 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.463 4.573 5.631 1.00 0.00 O ATOM 71 CG2 THR A 5 0.238 6.168 5.033 1.00 0.00 C ATOM 0 H THR A 5 -1.531 6.081 3.006 1.00 0.00 H new ATOM 0 HA THR A 5 0.443 3.795 3.111 1.00 0.00 H new ATOM 0 HB THR A 5 0.509 4.071 5.362 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.818 5.457 5.859 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.369 6.431 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.190 6.271 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.497 6.834 4.581 1.00 0.00 H new ATOM 79 N THR A 6 -1.553 2.574 2.289 1.00 0.00 N ATOM 80 CA THR A 6 -2.632 1.590 2.021 1.00 0.00 C ATOM 81 C THR A 6 -2.664 0.543 3.132 1.00 0.00 C ATOM 82 O THR A 6 -3.574 -0.254 3.221 1.00 0.00 O ATOM 83 CB THR A 6 -2.223 0.943 0.703 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.820 1.065 0.553 1.00 0.00 O ATOM 85 CG2 THR A 6 -2.924 1.653 -0.451 1.00 0.00 C ATOM 0 H THR A 6 -0.789 2.569 1.613 1.00 0.00 H new ATOM 0 HA THR A 6 -3.622 2.045 1.977 1.00 0.00 H new ATOM 0 HB THR A 6 -2.506 -0.110 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.374 0.730 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.632 1.191 -1.394 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.004 1.572 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.638 2.705 -0.459 1.00 0.00 H new ATOM 93 N ALA A 7 -1.662 0.522 3.968 1.00 0.00 N ATOM 94 CA ALA A 7 -1.628 -0.495 5.054 1.00 0.00 C ATOM 95 C ALA A 7 -2.271 0.026 6.345 1.00 0.00 C ATOM 96 O ALA A 7 -2.139 -0.576 7.392 1.00 0.00 O ATOM 97 CB ALA A 7 -0.145 -0.805 5.258 1.00 0.00 C ATOM 0 H ALA A 7 -0.869 1.163 3.945 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.200 -1.384 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.034 -1.550 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.277 -1.192 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.381 0.106 5.543 1.00 0.00 H new ATOM 103 N THR A 8 -2.974 1.126 6.291 1.00 0.00 N ATOM 104 CA THR A 8 -3.619 1.644 7.535 1.00 0.00 C ATOM 105 C THR A 8 -5.101 1.265 7.565 1.00 0.00 C ATOM 106 O THR A 8 -5.493 0.282 8.162 1.00 0.00 O ATOM 107 CB THR A 8 -3.467 3.164 7.479 1.00 0.00 C ATOM 108 OG1 THR A 8 -3.631 3.606 6.138 1.00 0.00 O ATOM 109 CG2 THR A 8 -2.083 3.560 7.994 1.00 0.00 C ATOM 0 H THR A 8 -3.129 1.683 5.451 1.00 0.00 H new ATOM 0 HA THR A 8 -3.159 1.223 8.429 1.00 0.00 H new ATOM 0 HB THR A 8 -4.227 3.631 8.106 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.753 3.798 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.976 4.644 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.968 3.222 9.024 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.317 3.096 7.372 1.00 0.00 H new ATOM 117 N SER A 9 -5.925 2.047 6.927 1.00 0.00 N ATOM 118 CA SER A 9 -7.387 1.749 6.916 1.00 0.00 C ATOM 119 C SER A 9 -8.108 2.679 5.932 1.00 0.00 C ATOM 120 O SER A 9 -8.730 2.231 4.989 1.00 0.00 O ATOM 121 CB SER A 9 -7.862 2.009 8.347 1.00 0.00 C ATOM 122 OG SER A 9 -6.826 2.648 9.083 1.00 0.00 O ATOM 0 H SER A 9 -5.650 2.883 6.411 1.00 0.00 H new ATOM 0 HA SER A 9 -7.596 0.727 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.754 2.635 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.137 1.069 8.826 1.00 0.00 H new ATOM 0 HG SER A 9 -7.131 2.816 9.999 1.00 0.00 H new ATOM 128 N PRO A 10 -8.005 3.953 6.201 1.00 0.00 N ATOM 129 CA PRO A 10 -8.658 4.984 5.345 1.00 0.00 C ATOM 130 C PRO A 10 -7.918 5.178 4.029 1.00 0.00 C ATOM 131 O PRO A 10 -8.507 5.378 2.986 1.00 0.00 O ATOM 132 CB PRO A 10 -8.519 6.254 6.167 1.00 0.00 C ATOM 133 CG PRO A 10 -7.330 6.029 7.041 1.00 0.00 C ATOM 134 CD PRO A 10 -7.279 4.557 7.328 1.00 0.00 C ATOM 0 HA PRO A 10 -9.682 4.710 5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.377 7.124 5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.414 6.438 6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.417 6.359 6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.415 6.601 7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.252 4.196 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.751 4.319 8.281 1.00 0.00 H new ATOM 142 N ILE A 11 -6.624 5.173 4.097 1.00 0.00 N ATOM 143 CA ILE A 11 -5.786 5.408 2.896 1.00 0.00 C ATOM 144 C ILE A 11 -5.774 6.896 2.578 1.00 0.00 C ATOM 145 O ILE A 11 -6.772 7.489 2.220 1.00 0.00 O ATOM 146 CB ILE A 11 -6.394 4.559 1.783 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.292 3.632 1.231 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.986 5.444 0.670 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.450 3.419 -0.286 1.00 0.00 C ATOM 0 H ILE A 11 -6.098 5.012 4.956 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.744 5.121 3.036 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.215 3.962 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.313 4.063 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.333 2.670 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.412 4.812 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.766 6.081 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.200 6.066 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.659 2.761 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.420 2.965 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.384 4.379 -0.797 1.00 0.00 H new ATOM 161 N SER A 12 -4.640 7.487 2.723 1.00 0.00 N ATOM 162 CA SER A 12 -4.495 8.935 2.457 1.00 0.00 C ATOM 163 C SER A 12 -3.013 9.258 2.453 1.00 0.00 C ATOM 164 O SER A 12 -2.199 8.421 2.798 1.00 0.00 O ATOM 165 CB SER A 12 -5.204 9.635 3.616 1.00 0.00 C ATOM 166 OG SER A 12 -5.035 8.868 4.801 1.00 0.00 O ATOM 0 H SER A 12 -3.783 7.021 3.022 1.00 0.00 H new ATOM 0 HA SER A 12 -4.918 9.249 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.796 10.636 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.264 9.751 3.392 1.00 0.00 H new ATOM 0 HG SER A 12 -5.487 9.315 5.547 1.00 0.00 H new ATOM 172 N ALA A 13 -2.640 10.435 2.057 1.00 0.00 N ATOM 173 CA ALA A 13 -1.193 10.745 2.030 1.00 0.00 C ATOM 174 C ALA A 13 -0.765 11.549 3.246 1.00 0.00 C ATOM 175 O ALA A 13 -1.557 12.199 3.900 1.00 0.00 O ATOM 176 CB ALA A 13 -0.966 11.561 0.768 1.00 0.00 C ATOM 0 H ALA A 13 -3.262 11.185 1.755 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.607 9.826 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.089 11.823 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.260 10.974 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.564 12.471 0.811 1.00 0.00 H new ATOM 182 N VAL A 14 0.500 11.517 3.531 1.00 0.00 N ATOM 183 CA VAL A 14 1.035 12.283 4.682 1.00 0.00 C ATOM 184 C VAL A 14 2.534 12.465 4.476 1.00 0.00 C ATOM 185 O VAL A 14 3.199 11.653 3.858 1.00 0.00 O ATOM 186 CB VAL A 14 0.720 11.469 5.967 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.008 10.176 5.618 1.00 0.00 C ATOM 188 CG2 VAL A 14 2.005 11.119 6.733 1.00 0.00 C ATOM 0 H VAL A 14 1.196 10.985 3.008 1.00 0.00 H new ATOM 0 HA VAL A 14 0.584 13.271 4.772 1.00 0.00 H new ATOM 0 HB VAL A 14 0.086 12.093 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.220 9.620 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.944 10.411 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.618 9.571 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.752 10.549 7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.658 10.522 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.519 12.036 7.021 1.00 0.00 H new ATOM 198 N THR A 15 3.056 13.526 4.985 1.00 0.00 N ATOM 199 CA THR A 15 4.515 13.789 4.832 1.00 0.00 C ATOM 200 C THR A 15 5.306 12.901 5.795 1.00 0.00 C ATOM 201 O THR A 15 5.405 13.174 6.975 1.00 0.00 O ATOM 202 CB THR A 15 4.707 15.268 5.173 1.00 0.00 C ATOM 203 OG1 THR A 15 3.459 15.942 5.100 1.00 0.00 O ATOM 204 CG2 THR A 15 5.682 15.887 4.172 1.00 0.00 C ATOM 0 H THR A 15 2.540 14.235 5.507 1.00 0.00 H new ATOM 0 HA THR A 15 4.870 13.568 3.825 1.00 0.00 H new ATOM 0 HB THR A 15 5.105 15.363 6.183 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.585 16.889 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.825 16.942 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.640 15.370 4.229 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.278 15.792 3.164 1.00 0.00 H new ATOM 212 N CYS A 16 5.862 11.835 5.294 1.00 0.00 N ATOM 213 CA CYS A 16 6.643 10.910 6.164 1.00 0.00 C ATOM 214 C CYS A 16 7.898 11.604 6.704 1.00 0.00 C ATOM 215 O CYS A 16 8.193 12.726 6.341 1.00 0.00 O ATOM 216 CB CYS A 16 7.017 9.750 5.242 1.00 0.00 C ATOM 217 SG CYS A 16 5.836 8.399 5.472 1.00 0.00 S ATOM 0 H CYS A 16 5.809 11.562 4.313 1.00 0.00 H new ATOM 0 HA CYS A 16 6.079 10.581 7.037 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.012 10.080 4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.028 9.406 5.462 1.00 0.00 H new ATOM 222 N PRO A 17 8.599 10.904 7.559 1.00 0.00 N ATOM 223 CA PRO A 17 9.843 11.452 8.164 1.00 0.00 C ATOM 224 C PRO A 17 10.930 11.630 7.099 1.00 0.00 C ATOM 225 O PRO A 17 10.738 11.277 5.952 1.00 0.00 O ATOM 226 CB PRO A 17 10.236 10.387 9.190 1.00 0.00 C ATOM 227 CG PRO A 17 9.594 9.132 8.698 1.00 0.00 C ATOM 228 CD PRO A 17 8.308 9.548 8.040 1.00 0.00 C ATOM 0 HA PRO A 17 9.708 12.437 8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.319 10.279 9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.882 10.648 10.187 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.243 8.614 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.405 8.443 9.521 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.040 8.880 7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.475 9.541 8.743 1.00 0.00 H new ATOM 236 N PRO A 18 12.039 12.184 7.516 1.00 0.00 N ATOM 237 CA PRO A 18 13.172 12.424 6.584 1.00 0.00 C ATOM 238 C PRO A 18 13.783 11.102 6.112 1.00 0.00 C ATOM 239 O PRO A 18 14.295 11.004 5.015 1.00 0.00 O ATOM 240 CB PRO A 18 14.164 13.225 7.426 1.00 0.00 C ATOM 241 CG PRO A 18 13.834 12.871 8.839 1.00 0.00 C ATOM 242 CD PRO A 18 12.349 12.633 8.880 1.00 0.00 C ATOM 0 HA PRO A 18 12.873 12.947 5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.193 12.962 7.182 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.058 14.296 7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 18 14.379 11.981 9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.118 13.676 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.083 11.880 9.621 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.803 13.541 9.138 1.00 0.00 H new ATOM 250 N GLY A 19 13.728 10.083 6.923 1.00 0.00 N ATOM 251 CA GLY A 19 14.302 8.773 6.499 1.00 0.00 C ATOM 252 C GLY A 19 13.844 8.473 5.073 1.00 0.00 C ATOM 253 O GLY A 19 14.617 8.523 4.137 1.00 0.00 O ATOM 0 H GLY A 19 13.314 10.098 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.390 8.805 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.976 7.982 7.174 1.00 0.00 H new ATOM 257 N GLU A 20 12.588 8.168 4.901 1.00 0.00 N ATOM 258 CA GLU A 20 12.066 7.876 3.543 1.00 0.00 C ATOM 259 C GLU A 20 12.047 9.157 2.705 1.00 0.00 C ATOM 260 O GLU A 20 11.282 10.066 2.959 1.00 0.00 O ATOM 261 CB GLU A 20 10.649 7.371 3.796 1.00 0.00 C ATOM 262 CG GLU A 20 10.714 5.944 4.340 1.00 0.00 C ATOM 263 CD GLU A 20 10.873 5.984 5.861 1.00 0.00 C ATOM 264 OE1 GLU A 20 10.147 6.734 6.492 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.717 5.264 6.368 1.00 0.00 O ATOM 0 H GLU A 20 11.898 8.109 5.650 1.00 0.00 H new ATOM 0 HA GLU A 20 12.672 7.154 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.140 8.021 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.071 7.395 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.808 5.400 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.551 5.410 3.890 1.00 0.00 H new ATOM 272 N ASN A 21 12.892 9.241 1.714 1.00 0.00 N ATOM 273 CA ASN A 21 12.931 10.468 0.870 1.00 0.00 C ATOM 274 C ASN A 21 11.890 10.385 -0.251 1.00 0.00 C ATOM 275 O ASN A 21 11.652 11.342 -0.960 1.00 0.00 O ATOM 276 CB ASN A 21 14.343 10.495 0.289 1.00 0.00 C ATOM 277 CG ASN A 21 15.368 10.246 1.399 1.00 0.00 C ATOM 278 OD1 ASN A 21 16.505 9.915 1.125 1.00 0.00 O ATOM 279 ND2 ASN A 21 15.018 10.390 2.650 1.00 0.00 N ATOM 0 H ASN A 21 13.557 8.513 1.453 1.00 0.00 H new ATOM 0 HA ASN A 21 12.702 11.368 1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.441 9.735 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.533 11.459 -0.184 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.698 10.225 3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.065 10.668 2.884 1.00 0.00 H new ATOM 286 N LEU A 22 11.270 9.250 -0.419 1.00 0.00 N ATOM 287 CA LEU A 22 10.249 9.113 -1.498 1.00 0.00 C ATOM 288 C LEU A 22 9.163 8.124 -1.078 1.00 0.00 C ATOM 289 O LEU A 22 9.228 7.528 -0.025 1.00 0.00 O ATOM 290 CB LEU A 22 11.014 8.567 -2.702 1.00 0.00 C ATOM 291 CG LEU A 22 11.610 7.202 -2.353 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.612 6.101 -2.719 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.906 6.996 -3.141 1.00 0.00 C ATOM 0 H LEU A 22 11.425 8.413 0.142 1.00 0.00 H new ATOM 0 HA LEU A 22 9.757 10.061 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.347 8.476 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.806 9.259 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 22 11.822 7.160 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.036 5.128 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.688 6.247 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.400 6.142 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.332 6.024 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.693 7.037 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.618 7.780 -2.882 1.00 0.00 H new ATOM 305 N CYS A 23 8.170 7.936 -1.900 1.00 0.00 N ATOM 306 CA CYS A 23 7.091 6.975 -1.556 1.00 0.00 C ATOM 307 C CYS A 23 7.329 5.674 -2.314 1.00 0.00 C ATOM 308 O CYS A 23 8.185 5.596 -3.167 1.00 0.00 O ATOM 309 CB CYS A 23 5.803 7.643 -2.020 1.00 0.00 C ATOM 310 SG CYS A 23 5.794 9.374 -1.493 1.00 0.00 S ATOM 0 H CYS A 23 8.060 8.408 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 23 7.053 6.736 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.720 7.582 -3.105 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.941 7.121 -1.605 1.00 0.00 H new ATOM 315 N TYR A 24 6.584 4.650 -2.032 1.00 0.00 N ATOM 316 CA TYR A 24 6.812 3.385 -2.766 1.00 0.00 C ATOM 317 C TYR A 24 5.537 2.575 -2.872 1.00 0.00 C ATOM 318 O TYR A 24 4.497 2.955 -2.386 1.00 0.00 O ATOM 319 CB TYR A 24 7.852 2.613 -1.960 1.00 0.00 C ATOM 320 CG TYR A 24 7.221 2.065 -0.709 1.00 0.00 C ATOM 321 CD1 TYR A 24 7.127 2.856 0.436 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.737 0.756 -0.699 1.00 0.00 C ATOM 323 CE1 TYR A 24 6.545 2.335 1.599 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.155 0.234 0.460 1.00 0.00 C ATOM 325 CZ TYR A 24 6.059 1.023 1.611 1.00 0.00 C ATOM 326 OH TYR A 24 5.486 0.508 2.756 1.00 0.00 O ATOM 0 H TYR A 24 5.838 4.633 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 24 7.147 3.584 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.260 1.799 -2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.685 3.267 -1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.502 3.869 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.812 0.146 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.471 2.946 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.779 -0.779 0.467 1.00 0.00 H new ATOM 0 HH TYR A 24 5.201 -0.415 2.592 1.00 0.00 H new ATOM 336 N ARG A 25 5.624 1.448 -3.501 1.00 0.00 N ATOM 337 CA ARG A 25 4.414 0.587 -3.636 1.00 0.00 C ATOM 338 C ARG A 25 4.785 -0.873 -3.366 1.00 0.00 C ATOM 339 O ARG A 25 5.520 -1.475 -4.119 1.00 0.00 O ATOM 340 CB ARG A 25 3.947 0.751 -5.086 1.00 0.00 C ATOM 341 CG ARG A 25 4.139 2.202 -5.539 1.00 0.00 C ATOM 342 CD ARG A 25 3.381 2.433 -6.849 1.00 0.00 C ATOM 343 NE ARG A 25 4.056 3.600 -7.482 1.00 0.00 N ATOM 344 CZ ARG A 25 4.177 3.659 -8.780 1.00 0.00 C ATOM 345 NH1 ARG A 25 3.208 3.236 -9.545 1.00 0.00 N ATOM 346 NH2 ARG A 25 5.266 4.142 -9.313 1.00 0.00 N ATOM 0 H ARG A 25 6.474 1.080 -3.929 1.00 0.00 H new ATOM 0 HA ARG A 25 3.634 0.868 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.510 0.081 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.897 0.471 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.776 2.885 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.199 2.413 -5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.426 1.554 -7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.327 2.639 -6.664 1.00 0.00 H new ATOM 0 HE ARG A 25 4.424 4.353 -6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.357 2.860 -9.128 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.302 3.282 -10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.023 4.473 -8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.360 4.188 -10.328 1.00 0.00 H new ATOM 360 N LYS A 26 4.285 -1.466 -2.314 1.00 0.00 N ATOM 361 CA LYS A 26 4.645 -2.883 -2.062 1.00 0.00 C ATOM 362 C LYS A 26 3.485 -3.789 -2.417 1.00 0.00 C ATOM 363 O LYS A 26 2.364 -3.355 -2.592 1.00 0.00 O ATOM 364 CB LYS A 26 4.943 -3.004 -0.567 1.00 0.00 C ATOM 365 CG LYS A 26 6.437 -3.244 -0.370 1.00 0.00 C ATOM 366 CD LYS A 26 6.792 -3.092 1.110 1.00 0.00 C ATOM 367 CE LYS A 26 7.755 -1.917 1.287 1.00 0.00 C ATOM 368 NZ LYS A 26 9.034 -2.532 1.736 1.00 0.00 N ATOM 0 H LYS A 26 3.657 -1.038 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 26 5.503 -3.176 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.637 -2.095 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.371 -3.825 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.704 -4.242 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.011 -2.535 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.888 -2.926 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.249 -4.009 1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.886 -1.370 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.379 -1.206 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.746 -1.787 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.880 -3.040 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.371 -3.199 1.013 1.00 0.00 H new ATOM 382 N MET A 27 3.749 -5.048 -2.503 1.00 0.00 N ATOM 383 CA MET A 27 2.675 -6.006 -2.821 1.00 0.00 C ATOM 384 C MET A 27 3.071 -7.372 -2.309 1.00 0.00 C ATOM 385 O MET A 27 4.235 -7.664 -2.124 1.00 0.00 O ATOM 386 CB MET A 27 2.554 -5.995 -4.343 1.00 0.00 C ATOM 387 CG MET A 27 1.233 -5.339 -4.746 1.00 0.00 C ATOM 388 SD MET A 27 1.454 -4.446 -6.305 1.00 0.00 S ATOM 389 CE MET A 27 1.515 -5.895 -7.387 1.00 0.00 C ATOM 0 H MET A 27 4.672 -5.460 -2.365 1.00 0.00 H new ATOM 0 HA MET A 27 1.722 -5.748 -2.359 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.391 -5.451 -4.781 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.599 -7.013 -4.729 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.457 -6.097 -4.855 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.902 -4.654 -3.966 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.546 -6.082 -7.687 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.129 -6.764 -6.854 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.907 -5.713 -8.273 1.00 0.00 H new ATOM 399 N TRP A 28 2.119 -8.204 -2.039 1.00 0.00 N ATOM 400 CA TRP A 28 2.475 -9.529 -1.498 1.00 0.00 C ATOM 401 C TRP A 28 1.263 -10.466 -1.477 1.00 0.00 C ATOM 402 O TRP A 28 0.943 -11.105 -2.459 1.00 0.00 O ATOM 403 CB TRP A 28 2.972 -9.235 -0.075 1.00 0.00 C ATOM 404 CG TRP A 28 2.342 -7.993 0.520 1.00 0.00 C ATOM 405 CD1 TRP A 28 1.010 -7.753 0.659 1.00 0.00 C ATOM 406 CD2 TRP A 28 3.016 -6.833 1.085 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.839 -6.529 1.290 1.00 0.00 N ATOM 408 CE2 TRP A 28 2.046 -5.926 1.567 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.366 -6.489 1.225 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.408 -4.722 2.172 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.737 -5.279 1.829 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.759 -4.397 2.305 1.00 0.00 C ATOM 0 H TRP A 28 1.123 -8.028 -2.167 1.00 0.00 H new ATOM 0 HA TRP A 28 3.225 -10.035 -2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.754 -10.090 0.565 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.055 -9.116 -0.090 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.216 -8.408 0.332 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.069 -6.125 1.520 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.129 -7.162 0.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.648 -4.046 2.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.782 -5.026 1.928 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.049 -3.468 2.774 1.00 0.00 H new ATOM 423 N CYS A 29 0.601 -10.558 -0.363 1.00 0.00 N ATOM 424 CA CYS A 29 -0.584 -11.445 -0.244 1.00 0.00 C ATOM 425 C CYS A 29 -1.290 -11.139 1.085 1.00 0.00 C ATOM 426 O CYS A 29 -0.686 -11.200 2.137 1.00 0.00 O ATOM 427 CB CYS A 29 0.004 -12.850 -0.219 1.00 0.00 C ATOM 428 SG CYS A 29 -0.031 -13.585 -1.876 1.00 0.00 S ATOM 0 H CYS A 29 0.836 -10.046 0.487 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.310 -11.319 -1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.030 -12.814 0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.560 -13.474 0.474 1.00 0.00 H new ATOM 433 N ASP A 30 -2.549 -10.792 1.059 1.00 0.00 N ATOM 434 CA ASP A 30 -3.248 -10.468 2.341 1.00 0.00 C ATOM 435 C ASP A 30 -3.444 -11.732 3.192 1.00 0.00 C ATOM 436 O ASP A 30 -4.212 -12.613 2.861 1.00 0.00 O ATOM 437 CB ASP A 30 -4.591 -9.852 1.927 1.00 0.00 C ATOM 438 CG ASP A 30 -5.600 -10.951 1.581 1.00 0.00 C ATOM 439 OD1 ASP A 30 -5.226 -11.868 0.868 1.00 0.00 O ATOM 440 OD2 ASP A 30 -6.728 -10.857 2.036 1.00 0.00 O ATOM 0 H ASP A 30 -3.120 -10.719 0.217 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.671 -9.780 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.980 -9.235 2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.448 -9.197 1.067 1.00 0.00 H new ATOM 445 N ALA A 31 -2.747 -11.826 4.292 1.00 0.00 N ATOM 446 CA ALA A 31 -2.886 -13.027 5.168 1.00 0.00 C ATOM 447 C ALA A 31 -2.588 -14.301 4.372 1.00 0.00 C ATOM 448 O ALA A 31 -1.463 -14.755 4.308 1.00 0.00 O ATOM 449 CB ALA A 31 -4.342 -13.013 5.634 1.00 0.00 C ATOM 0 H ALA A 31 -2.086 -11.123 4.623 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.190 -13.008 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.524 -13.868 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.540 -12.092 6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.002 -13.069 4.768 1.00 0.00 H new ATOM 455 N PHE A 32 -3.587 -14.880 3.765 1.00 0.00 N ATOM 456 CA PHE A 32 -3.362 -16.124 2.973 1.00 0.00 C ATOM 457 C PHE A 32 -3.665 -15.860 1.496 1.00 0.00 C ATOM 458 O PHE A 32 -4.049 -16.748 0.763 1.00 0.00 O ATOM 459 CB PHE A 32 -4.346 -17.143 3.548 1.00 0.00 C ATOM 460 CG PHE A 32 -3.668 -17.945 4.633 1.00 0.00 C ATOM 461 CD1 PHE A 32 -3.101 -17.294 5.736 1.00 0.00 C ATOM 462 CD2 PHE A 32 -3.607 -19.340 4.536 1.00 0.00 C ATOM 463 CE1 PHE A 32 -2.473 -18.039 6.741 1.00 0.00 C ATOM 464 CE2 PHE A 32 -2.980 -20.085 5.542 1.00 0.00 C ATOM 465 CZ PHE A 32 -2.413 -19.434 6.645 1.00 0.00 C ATOM 0 H PHE A 32 -4.551 -14.546 3.783 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.332 -16.477 3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.220 -16.632 3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.701 -17.806 2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.148 -16.218 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.044 -19.842 3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.035 -17.537 7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.934 -21.161 5.468 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.930 -20.008 7.421 1.00 0.00 H new ATOM 475 N CYS A 33 -3.493 -14.641 1.062 1.00 0.00 N ATOM 476 CA CYS A 33 -3.767 -14.295 -0.362 1.00 0.00 C ATOM 477 C CYS A 33 -5.127 -14.844 -0.806 1.00 0.00 C ATOM 478 O CYS A 33 -5.289 -16.025 -1.039 1.00 0.00 O ATOM 479 CB CYS A 33 -2.638 -14.942 -1.157 1.00 0.00 C ATOM 480 SG CYS A 33 -1.989 -13.738 -2.339 1.00 0.00 S ATOM 0 H CYS A 33 -3.172 -13.863 1.638 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.806 -13.217 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.847 -15.275 -0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.004 -15.825 -1.681 1.00 0.00 H new ATOM 485 N SER A 34 -6.104 -13.989 -0.932 1.00 0.00 N ATOM 486 CA SER A 34 -7.452 -14.456 -1.364 1.00 0.00 C ATOM 487 C SER A 34 -7.417 -14.883 -2.835 1.00 0.00 C ATOM 488 O SER A 34 -6.468 -15.488 -3.292 1.00 0.00 O ATOM 489 CB SER A 34 -8.368 -13.247 -1.176 1.00 0.00 C ATOM 490 OG SER A 34 -9.688 -13.697 -0.901 1.00 0.00 O ATOM 0 H SER A 34 -6.028 -12.987 -0.755 1.00 0.00 H new ATOM 0 HA SER A 34 -7.795 -15.318 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.005 -12.625 -0.358 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.362 -12.628 -2.073 1.00 0.00 H new ATOM 0 HG SER A 34 -10.278 -12.924 -0.778 1.00 0.00 H new ATOM 496 N SER A 35 -8.444 -14.574 -3.579 1.00 0.00 N ATOM 497 CA SER A 35 -8.465 -14.966 -5.017 1.00 0.00 C ATOM 498 C SER A 35 -8.512 -13.720 -5.906 1.00 0.00 C ATOM 499 O SER A 35 -8.938 -13.773 -7.043 1.00 0.00 O ATOM 500 CB SER A 35 -9.739 -15.793 -5.184 1.00 0.00 C ATOM 501 OG SER A 35 -10.102 -16.353 -3.929 1.00 0.00 O ATOM 0 H SER A 35 -9.268 -14.068 -3.254 1.00 0.00 H new ATOM 0 HA SER A 35 -7.575 -15.526 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.546 -15.166 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.579 -16.585 -5.916 1.00 0.00 H new ATOM 0 HG SER A 35 -10.920 -16.883 -4.032 1.00 0.00 H new ATOM 507 N ARG A 36 -8.077 -12.599 -5.399 1.00 0.00 N ATOM 508 CA ARG A 36 -8.097 -11.353 -6.218 1.00 0.00 C ATOM 509 C ARG A 36 -6.670 -10.845 -6.442 1.00 0.00 C ATOM 510 O ARG A 36 -6.459 -9.739 -6.897 1.00 0.00 O ATOM 511 CB ARG A 36 -8.896 -10.345 -5.390 1.00 0.00 C ATOM 512 CG ARG A 36 -10.167 -11.009 -4.861 1.00 0.00 C ATOM 513 CD ARG A 36 -11.334 -10.022 -4.951 1.00 0.00 C ATOM 514 NE ARG A 36 -12.001 -10.333 -6.246 1.00 0.00 N ATOM 515 CZ ARG A 36 -12.526 -9.372 -6.956 1.00 0.00 C ATOM 516 NH1 ARG A 36 -11.786 -8.704 -7.799 1.00 0.00 N ATOM 517 NH2 ARG A 36 -13.790 -9.078 -6.824 1.00 0.00 N ATOM 0 H ARG A 36 -7.709 -12.492 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.538 -11.515 -7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.291 -9.981 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.153 -9.480 -6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.390 -11.906 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.022 -11.324 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.021 -10.145 -4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.982 -8.991 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.047 -11.296 -6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.798 -8.933 -7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.196 -7.953 -8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.369 -9.599 -6.165 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.200 -8.327 -7.379 1.00 0.00 H new ATOM 531 N GLY A 37 -5.690 -11.642 -6.117 1.00 0.00 N ATOM 532 CA GLY A 37 -4.279 -11.201 -6.302 1.00 0.00 C ATOM 533 C GLY A 37 -3.701 -10.811 -4.943 1.00 0.00 C ATOM 534 O GLY A 37 -4.192 -11.228 -3.913 1.00 0.00 O ATOM 0 H GLY A 37 -5.805 -12.579 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.689 -12.002 -6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.235 -10.355 -6.987 1.00 0.00 H new ATOM 538 N LYS A 38 -2.680 -9.999 -4.919 1.00 0.00 N ATOM 539 CA LYS A 38 -2.111 -9.581 -3.616 1.00 0.00 C ATOM 540 C LYS A 38 -2.795 -8.290 -3.193 1.00 0.00 C ATOM 541 O LYS A 38 -3.998 -8.157 -3.278 1.00 0.00 O ATOM 542 CB LYS A 38 -0.620 -9.344 -3.869 1.00 0.00 C ATOM 543 CG LYS A 38 -0.068 -10.393 -4.840 1.00 0.00 C ATOM 544 CD LYS A 38 -0.560 -11.784 -4.432 1.00 0.00 C ATOM 545 CE LYS A 38 -1.425 -12.370 -5.551 1.00 0.00 C ATOM 546 NZ LYS A 38 -0.637 -13.513 -6.089 1.00 0.00 N ATOM 0 H LYS A 38 -2.220 -9.611 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.255 -10.322 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.469 -8.345 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.074 -9.388 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.390 -10.167 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.022 -10.367 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.289 -12.438 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.135 -11.721 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.391 -12.701 -5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.624 -11.629 -6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.166 -13.966 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.275 -13.167 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.469 -14.206 -5.332 1.00 0.00 H new ATOM 560 N VAL A 39 -2.042 -7.326 -2.771 1.00 0.00 N ATOM 561 CA VAL A 39 -2.651 -6.037 -2.381 1.00 0.00 C ATOM 562 C VAL A 39 -1.863 -4.917 -3.045 1.00 0.00 C ATOM 563 O VAL A 39 -1.228 -5.103 -4.062 1.00 0.00 O ATOM 564 CB VAL A 39 -2.517 -5.947 -0.853 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.653 -5.092 -0.290 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.586 -7.345 -0.229 1.00 0.00 C ATOM 0 H VAL A 39 -1.027 -7.375 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.695 -5.957 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.555 -5.494 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.558 -5.028 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.602 -4.091 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.611 -5.546 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.490 -7.265 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.542 -7.807 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.775 -7.959 -0.621 1.00 0.00 H new ATOM 576 N VAL A 40 -1.870 -3.776 -2.450 1.00 0.00 N ATOM 577 CA VAL A 40 -1.099 -2.632 -2.985 1.00 0.00 C ATOM 578 C VAL A 40 -0.835 -1.731 -1.810 1.00 0.00 C ATOM 579 O VAL A 40 -1.555 -0.791 -1.537 1.00 0.00 O ATOM 580 CB VAL A 40 -1.977 -1.957 -4.021 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.152 -0.888 -4.730 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.436 -2.994 -5.039 1.00 0.00 C ATOM 0 H VAL A 40 -2.388 -3.578 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.155 -2.909 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.847 -1.506 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.768 -0.391 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.804 -0.155 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.294 -1.353 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.068 -2.515 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.567 -3.435 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.002 -3.775 -4.532 1.00 0.00 H new ATOM 592 N GLU A 41 0.156 -2.075 -1.069 1.00 0.00 N ATOM 593 CA GLU A 41 0.454 -1.319 0.161 1.00 0.00 C ATOM 594 C GLU A 41 1.579 -0.306 -0.056 1.00 0.00 C ATOM 595 O GLU A 41 2.703 -0.507 0.360 1.00 0.00 O ATOM 596 CB GLU A 41 0.860 -2.393 1.160 1.00 0.00 C ATOM 597 CG GLU A 41 -0.100 -3.585 1.061 1.00 0.00 C ATOM 598 CD GLU A 41 -0.681 -3.891 2.443 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.159 -3.368 3.413 1.00 0.00 O ATOM 600 OE2 GLU A 41 -1.640 -4.644 2.507 1.00 0.00 O ATOM 0 H GLU A 41 0.783 -2.856 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.396 -0.728 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.881 -2.719 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.846 -1.986 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.903 -3.361 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.426 -4.458 0.675 1.00 0.00 H new ATOM 607 N LEU A 42 1.277 0.790 -0.696 1.00 0.00 N ATOM 608 CA LEU A 42 2.311 1.830 -0.930 1.00 0.00 C ATOM 609 C LEU A 42 2.592 2.590 0.366 1.00 0.00 C ATOM 610 O LEU A 42 1.959 2.370 1.379 1.00 0.00 O ATOM 611 CB LEU A 42 1.706 2.778 -1.970 1.00 0.00 C ATOM 612 CG LEU A 42 0.983 1.990 -3.062 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.526 2.056 -2.828 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.304 2.615 -4.420 1.00 0.00 C ATOM 0 H LEU A 42 0.353 1.008 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 42 3.253 1.398 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.009 3.461 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.492 3.388 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 42 1.310 0.950 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.040 1.494 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.762 1.626 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.853 3.095 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.793 2.060 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.969 3.652 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.380 2.579 -4.592 1.00 0.00 H new ATOM 626 N GLY A 43 3.536 3.488 0.337 1.00 0.00 N ATOM 627 CA GLY A 43 3.855 4.270 1.571 1.00 0.00 C ATOM 628 C GLY A 43 5.150 5.064 1.374 1.00 0.00 C ATOM 629 O GLY A 43 5.353 5.693 0.357 1.00 0.00 O ATOM 0 H GLY A 43 4.100 3.716 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.035 4.950 1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.959 3.596 2.421 1.00 0.00 H new ATOM 633 N CYS A 44 6.022 5.060 2.348 1.00 0.00 N ATOM 634 CA CYS A 44 7.289 5.826 2.218 1.00 0.00 C ATOM 635 C CYS A 44 8.499 4.886 2.251 1.00 0.00 C ATOM 636 O CYS A 44 8.403 3.745 2.656 1.00 0.00 O ATOM 637 CB CYS A 44 7.314 6.738 3.439 1.00 0.00 C ATOM 638 SG CYS A 44 5.708 7.543 3.648 1.00 0.00 S ATOM 0 H CYS A 44 5.908 4.557 3.228 1.00 0.00 H new ATOM 0 HA CYS A 44 7.337 6.374 1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.558 6.159 4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.094 7.490 3.324 1.00 0.00 H new ATOM 643 N ALA A 45 9.641 5.368 1.846 1.00 0.00 N ATOM 644 CA ALA A 45 10.862 4.526 1.867 1.00 0.00 C ATOM 645 C ALA A 45 12.097 5.385 1.587 1.00 0.00 C ATOM 646 O ALA A 45 12.014 6.425 0.965 1.00 0.00 O ATOM 647 CB ALA A 45 10.660 3.489 0.764 1.00 0.00 C ATOM 0 H ALA A 45 9.778 6.317 1.499 1.00 0.00 H new ATOM 0 HA ALA A 45 11.018 4.052 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.527 2.830 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.767 2.901 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.542 3.995 -0.194 1.00 0.00 H new ATOM 653 N ALA A 46 13.241 4.962 2.051 1.00 0.00 N ATOM 654 CA ALA A 46 14.480 5.760 1.821 1.00 0.00 C ATOM 655 C ALA A 46 14.988 5.568 0.388 1.00 0.00 C ATOM 656 O ALA A 46 15.482 6.489 -0.231 1.00 0.00 O ATOM 657 CB ALA A 46 15.494 5.213 2.826 1.00 0.00 C ATOM 0 H ALA A 46 13.372 4.099 2.579 1.00 0.00 H new ATOM 0 HA ALA A 46 14.308 6.828 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.437 5.750 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.112 5.346 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.658 4.152 2.637 1.00 0.00 H new ATOM 663 N THR A 47 14.877 4.380 -0.143 1.00 0.00 N ATOM 664 CA THR A 47 15.361 4.141 -1.533 1.00 0.00 C ATOM 665 C THR A 47 14.527 3.049 -2.206 1.00 0.00 C ATOM 666 O THR A 47 14.155 2.071 -1.590 1.00 0.00 O ATOM 667 CB THR A 47 16.813 3.687 -1.375 1.00 0.00 C ATOM 668 OG1 THR A 47 16.944 2.937 -0.174 1.00 0.00 O ATOM 669 CG2 THR A 47 17.729 4.910 -1.319 1.00 0.00 C ATOM 0 H THR A 47 14.474 3.568 0.324 1.00 0.00 H new ATOM 0 HA THR A 47 15.278 5.031 -2.157 1.00 0.00 H new ATOM 0 HB THR A 47 17.095 3.065 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.873 2.643 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.763 4.585 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 47 17.627 5.483 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 47 17.450 5.535 -0.470 1.00 0.00 H new ATOM 677 N CYS A 48 14.233 3.212 -3.468 1.00 0.00 N ATOM 678 CA CYS A 48 13.421 2.189 -4.188 1.00 0.00 C ATOM 679 C CYS A 48 13.855 0.778 -3.786 1.00 0.00 C ATOM 680 O CYS A 48 14.848 0.272 -4.269 1.00 0.00 O ATOM 681 CB CYS A 48 13.706 2.430 -5.671 1.00 0.00 C ATOM 682 SG CYS A 48 13.195 4.107 -6.119 1.00 0.00 S ATOM 0 H CYS A 48 14.521 4.011 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 48 12.360 2.271 -3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.768 2.296 -5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 48 13.170 1.701 -6.278 1.00 0.00 H new ATOM 687 N PRO A 49 13.086 0.188 -2.914 1.00 0.00 N ATOM 688 CA PRO A 49 13.386 -1.182 -2.443 1.00 0.00 C ATOM 689 C PRO A 49 12.969 -2.204 -3.504 1.00 0.00 C ATOM 690 O PRO A 49 11.902 -2.114 -4.078 1.00 0.00 O ATOM 691 CB PRO A 49 12.535 -1.322 -1.185 1.00 0.00 C ATOM 692 CG PRO A 49 11.406 -0.354 -1.360 1.00 0.00 C ATOM 693 CD PRO A 49 11.876 0.737 -2.291 1.00 0.00 C ATOM 0 HA PRO A 49 14.445 -1.353 -2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.165 -2.341 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.115 -1.092 -0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.531 -0.857 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.109 0.065 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.118 0.976 -3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.091 1.657 -1.748 1.00 0.00 H new ATOM 701 N SER A 50 13.800 -3.173 -3.773 1.00 0.00 N ATOM 702 CA SER A 50 13.445 -4.194 -4.800 1.00 0.00 C ATOM 703 C SER A 50 12.747 -5.386 -4.139 1.00 0.00 C ATOM 704 O SER A 50 11.538 -5.425 -4.023 1.00 0.00 O ATOM 705 CB SER A 50 14.778 -4.625 -5.412 1.00 0.00 C ATOM 706 OG SER A 50 15.338 -3.536 -6.134 1.00 0.00 O ATOM 0 H SER A 50 14.708 -3.302 -3.327 1.00 0.00 H new ATOM 0 HA SER A 50 12.761 -3.801 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.464 -4.948 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.628 -5.477 -6.075 1.00 0.00 H new ATOM 0 HG SER A 50 16.194 -3.809 -6.526 1.00 0.00 H new ATOM 712 N LYS A 51 13.501 -6.357 -3.704 1.00 0.00 N ATOM 713 CA LYS A 51 12.886 -7.547 -3.049 1.00 0.00 C ATOM 714 C LYS A 51 13.933 -8.273 -2.200 1.00 0.00 C ATOM 715 O LYS A 51 15.118 -8.185 -2.452 1.00 0.00 O ATOM 716 CB LYS A 51 12.415 -8.435 -4.204 1.00 0.00 C ATOM 717 CG LYS A 51 12.168 -9.856 -3.693 1.00 0.00 C ATOM 718 CD LYS A 51 11.545 -10.698 -4.809 1.00 0.00 C ATOM 719 CE LYS A 51 11.126 -12.060 -4.250 1.00 0.00 C ATOM 720 NZ LYS A 51 12.010 -13.045 -4.933 1.00 0.00 N ATOM 0 H LYS A 51 14.518 -6.378 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 51 12.065 -7.280 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.501 -8.030 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.165 -8.448 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.106 -10.304 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.506 -9.833 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.680 -10.183 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.260 -10.831 -5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.253 -12.099 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.075 -12.264 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.783 -14.004 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.862 -12.990 -5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.004 -12.830 -4.714 1.00 0.00 H new ATOM 734 N LYS A 52 13.508 -8.991 -1.196 1.00 0.00 N ATOM 735 CA LYS A 52 14.489 -9.718 -0.341 1.00 0.00 C ATOM 736 C LYS A 52 13.925 -11.077 0.096 1.00 0.00 C ATOM 737 O LYS A 52 14.421 -12.105 -0.322 1.00 0.00 O ATOM 738 CB LYS A 52 14.727 -8.806 0.864 1.00 0.00 C ATOM 739 CG LYS A 52 15.992 -7.977 0.635 1.00 0.00 C ATOM 740 CD LYS A 52 15.674 -6.494 0.830 1.00 0.00 C ATOM 741 CE LYS A 52 16.421 -5.668 -0.221 1.00 0.00 C ATOM 742 NZ LYS A 52 15.445 -4.633 -0.660 1.00 0.00 N ATOM 0 H LYS A 52 12.529 -9.105 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 52 15.417 -9.930 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.870 -8.148 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.830 -9.403 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.773 -8.287 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.374 -8.148 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.600 -6.327 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.966 -6.177 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.318 -5.212 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.741 -6.289 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.884 -4.026 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.605 -5.096 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.164 -4.053 0.156 1.00 0.00 H new ATOM 756 N PRO A 53 12.907 -11.053 0.923 1.00 0.00 N ATOM 757 CA PRO A 53 12.302 -12.320 1.397 1.00 0.00 C ATOM 758 C PRO A 53 11.486 -12.983 0.283 1.00 0.00 C ATOM 759 O PRO A 53 11.993 -13.781 -0.481 1.00 0.00 O ATOM 760 CB PRO A 53 11.396 -11.882 2.543 1.00 0.00 C ATOM 761 CG PRO A 53 11.068 -10.453 2.254 1.00 0.00 C ATOM 762 CD PRO A 53 12.231 -9.877 1.491 1.00 0.00 C ATOM 0 HA PRO A 53 13.046 -13.055 1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.494 -12.492 2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.899 -11.985 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.150 -10.379 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.903 -9.901 3.179 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.896 -9.194 0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.896 -9.312 2.145 1.00 0.00 H new ATOM 770 N TYR A 54 10.224 -12.665 0.190 1.00 0.00 N ATOM 771 CA TYR A 54 9.369 -13.283 -0.869 1.00 0.00 C ATOM 772 C TYR A 54 8.387 -12.250 -1.433 1.00 0.00 C ATOM 773 O TYR A 54 7.495 -12.581 -2.189 1.00 0.00 O ATOM 774 CB TYR A 54 8.601 -14.443 -0.197 1.00 0.00 C ATOM 775 CG TYR A 54 8.741 -14.392 1.313 1.00 0.00 C ATOM 776 CD1 TYR A 54 8.319 -13.259 2.018 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.298 -15.477 2.002 1.00 0.00 C ATOM 778 CE1 TYR A 54 8.455 -13.208 3.409 1.00 0.00 C ATOM 779 CE2 TYR A 54 9.433 -15.426 3.395 1.00 0.00 C ATOM 780 CZ TYR A 54 9.012 -14.291 4.098 1.00 0.00 C ATOM 781 OH TYR A 54 9.146 -14.241 5.471 1.00 0.00 O ATOM 0 H TYR A 54 9.745 -12.003 0.801 1.00 0.00 H new ATOM 0 HA TYR A 54 9.975 -13.644 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.547 -14.390 -0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.979 -15.396 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.888 -12.423 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.623 -16.352 1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.130 -12.332 3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.862 -16.262 3.927 1.00 0.00 H new ATOM 0 HH TYR A 54 9.550 -15.075 5.791 1.00 0.00 H new ATOM 791 N GLU A 55 8.536 -11.005 -1.069 1.00 0.00 N ATOM 792 CA GLU A 55 7.599 -9.963 -1.587 1.00 0.00 C ATOM 793 C GLU A 55 8.317 -9.029 -2.565 1.00 0.00 C ATOM 794 O GLU A 55 9.501 -9.157 -2.809 1.00 0.00 O ATOM 795 CB GLU A 55 7.143 -9.186 -0.351 1.00 0.00 C ATOM 796 CG GLU A 55 6.776 -10.165 0.765 1.00 0.00 C ATOM 797 CD GLU A 55 5.859 -11.255 0.208 1.00 0.00 C ATOM 798 OE1 GLU A 55 5.082 -10.950 -0.682 1.00 0.00 O ATOM 799 OE2 GLU A 55 5.948 -12.376 0.680 1.00 0.00 O ATOM 0 H GLU A 55 9.262 -10.664 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 55 6.762 -10.404 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.937 -8.518 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.284 -8.562 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.678 -10.612 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.278 -9.636 1.578 1.00 0.00 H new ATOM 806 N GLU A 56 7.605 -8.087 -3.121 1.00 0.00 N ATOM 807 CA GLU A 56 8.235 -7.134 -4.080 1.00 0.00 C ATOM 808 C GLU A 56 7.798 -5.703 -3.754 1.00 0.00 C ATOM 809 O GLU A 56 6.995 -5.479 -2.869 1.00 0.00 O ATOM 810 CB GLU A 56 7.717 -7.555 -5.456 1.00 0.00 C ATOM 811 CG GLU A 56 8.598 -8.674 -6.015 1.00 0.00 C ATOM 812 CD GLU A 56 7.938 -10.027 -5.746 1.00 0.00 C ATOM 813 OE1 GLU A 56 7.036 -10.383 -6.487 1.00 0.00 O ATOM 814 OE2 GLU A 56 8.345 -10.685 -4.802 1.00 0.00 O ATOM 0 H GLU A 56 6.611 -7.936 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 56 9.324 -7.155 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.684 -7.895 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.721 -6.702 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.744 -8.535 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.584 -8.640 -5.552 1.00 0.00 H new ATOM 821 N VAL A 57 8.317 -4.732 -4.454 1.00 0.00 N ATOM 822 CA VAL A 57 7.923 -3.322 -4.170 1.00 0.00 C ATOM 823 C VAL A 57 8.464 -2.385 -5.257 1.00 0.00 C ATOM 824 O VAL A 57 9.264 -2.775 -6.084 1.00 0.00 O ATOM 825 CB VAL A 57 8.561 -3.011 -2.819 1.00 0.00 C ATOM 826 CG1 VAL A 57 10.038 -3.404 -2.853 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.433 -1.515 -2.526 1.00 0.00 C ATOM 0 H VAL A 57 8.994 -4.852 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 57 6.842 -3.185 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 57 8.054 -3.576 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.496 -3.183 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.126 -4.471 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.547 -2.839 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.889 -1.293 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.940 -0.947 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.379 -1.238 -2.502 1.00 0.00 H new ATOM 837 N THR A 58 8.039 -1.147 -5.257 1.00 0.00 N ATOM 838 CA THR A 58 8.534 -0.184 -6.282 1.00 0.00 C ATOM 839 C THR A 58 8.714 1.188 -5.632 1.00 0.00 C ATOM 840 O THR A 58 8.802 1.295 -4.429 1.00 0.00 O ATOM 841 CB THR A 58 7.454 -0.154 -7.372 1.00 0.00 C ATOM 842 OG1 THR A 58 8.035 0.269 -8.597 1.00 0.00 O ATOM 843 CG2 THR A 58 6.331 0.810 -6.982 1.00 0.00 C ATOM 0 H THR A 58 7.370 -0.763 -4.590 1.00 0.00 H new ATOM 0 HA THR A 58 9.498 -0.469 -6.704 1.00 0.00 H new ATOM 0 HB THR A 58 7.036 -1.154 -7.485 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.348 0.288 -9.296 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.572 0.821 -7.765 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.881 0.484 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.739 1.813 -6.859 1.00 0.00 H new ATOM 851 N CYS A 59 8.760 2.239 -6.402 1.00 0.00 N ATOM 852 CA CYS A 59 8.929 3.583 -5.781 1.00 0.00 C ATOM 853 C CYS A 59 7.766 4.501 -6.114 1.00 0.00 C ATOM 854 O CYS A 59 6.796 4.118 -6.737 1.00 0.00 O ATOM 855 CB CYS A 59 10.185 4.178 -6.397 1.00 0.00 C ATOM 856 SG CYS A 59 11.457 4.371 -5.126 1.00 0.00 S ATOM 0 H CYS A 59 8.689 2.228 -7.419 1.00 0.00 H new ATOM 0 HA CYS A 59 8.984 3.485 -4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.551 3.532 -7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.958 5.144 -6.847 1.00 0.00 H new ATOM 861 N CYS A 60 7.895 5.728 -5.715 1.00 0.00 N ATOM 862 CA CYS A 60 6.845 6.732 -6.007 1.00 0.00 C ATOM 863 C CYS A 60 7.345 8.115 -5.587 1.00 0.00 C ATOM 864 O CYS A 60 7.024 8.603 -4.522 1.00 0.00 O ATOM 865 CB CYS A 60 5.633 6.306 -5.178 1.00 0.00 C ATOM 866 SG CYS A 60 4.421 7.651 -5.133 1.00 0.00 S ATOM 0 H CYS A 60 8.695 6.083 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 60 6.591 6.786 -7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.182 5.412 -5.608 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.945 6.050 -4.165 1.00 0.00 H new ATOM 871 N SER A 61 8.144 8.743 -6.403 1.00 0.00 N ATOM 872 CA SER A 61 8.678 10.082 -6.026 1.00 0.00 C ATOM 873 C SER A 61 7.932 11.207 -6.758 1.00 0.00 C ATOM 874 O SER A 61 8.543 12.075 -7.350 1.00 0.00 O ATOM 875 CB SER A 61 10.144 10.052 -6.455 1.00 0.00 C ATOM 876 OG SER A 61 10.219 10.092 -7.874 1.00 0.00 O ATOM 0 H SER A 61 8.449 8.390 -7.310 1.00 0.00 H new ATOM 0 HA SER A 61 8.556 10.278 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.678 10.901 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.626 9.150 -6.079 1.00 0.00 H new ATOM 0 HG SER A 61 9.956 10.982 -8.191 1.00 0.00 H new ATOM 882 N THR A 62 6.625 11.219 -6.715 1.00 0.00 N ATOM 883 CA THR A 62 5.872 12.306 -7.397 1.00 0.00 C ATOM 884 C THR A 62 4.764 12.789 -6.467 1.00 0.00 C ATOM 885 O THR A 62 4.577 12.244 -5.401 1.00 0.00 O ATOM 886 CB THR A 62 5.285 11.661 -8.654 1.00 0.00 C ATOM 887 OG1 THR A 62 6.115 10.583 -9.062 1.00 0.00 O ATOM 888 CG2 THR A 62 5.207 12.700 -9.774 1.00 0.00 C ATOM 0 H THR A 62 6.051 10.524 -6.238 1.00 0.00 H new ATOM 0 HA THR A 62 6.493 13.165 -7.651 1.00 0.00 H new ATOM 0 HB THR A 62 4.284 11.288 -8.438 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.864 9.773 -8.570 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.789 12.239 -10.669 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.570 13.527 -9.460 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.207 13.075 -9.992 1.00 0.00 H new ATOM 896 N ASP A 63 4.027 13.795 -6.850 1.00 0.00 N ATOM 897 CA ASP A 63 2.932 14.277 -5.959 1.00 0.00 C ATOM 898 C ASP A 63 2.137 13.076 -5.446 1.00 0.00 C ATOM 899 O ASP A 63 1.213 12.620 -6.089 1.00 0.00 O ATOM 900 CB ASP A 63 2.058 15.168 -6.844 1.00 0.00 C ATOM 901 CG ASP A 63 2.278 16.634 -6.468 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.164 16.895 -5.671 1.00 0.00 O ATOM 903 OD2 ASP A 63 1.557 17.472 -6.984 1.00 0.00 O ATOM 0 H ASP A 63 4.132 14.300 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 63 3.301 14.821 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.305 15.010 -7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.008 14.903 -6.720 1.00 0.00 H new ATOM 908 N LYS A 64 2.506 12.551 -4.303 1.00 0.00 N ATOM 909 CA LYS A 64 1.796 11.361 -3.747 1.00 0.00 C ATOM 910 C LYS A 64 1.379 10.414 -4.879 1.00 0.00 C ATOM 911 O LYS A 64 0.212 10.286 -5.192 1.00 0.00 O ATOM 912 CB LYS A 64 0.571 11.922 -3.020 1.00 0.00 C ATOM 913 CG LYS A 64 -0.259 12.788 -3.973 1.00 0.00 C ATOM 914 CD LYS A 64 -1.593 13.135 -3.311 1.00 0.00 C ATOM 915 CE LYS A 64 -2.240 14.310 -4.049 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.387 13.713 -4.789 1.00 0.00 N ATOM 0 H LYS A 64 3.274 12.899 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 64 2.428 10.782 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.039 11.104 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.888 12.514 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.285 13.700 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.432 12.256 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.256 12.270 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.435 13.392 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.576 15.078 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.534 14.785 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.882 14.457 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.036 12.991 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.045 13.274 -4.114 1.00 0.00 H new ATOM 930 N CYS A 65 2.320 9.745 -5.499 1.00 0.00 N ATOM 931 CA CYS A 65 1.946 8.818 -6.604 1.00 0.00 C ATOM 932 C CYS A 65 1.689 7.412 -6.059 1.00 0.00 C ATOM 933 O CYS A 65 1.984 6.421 -6.698 1.00 0.00 O ATOM 934 CB CYS A 65 3.091 8.819 -7.632 1.00 0.00 C ATOM 935 SG CYS A 65 4.719 8.655 -6.854 1.00 0.00 S ATOM 0 H CYS A 65 3.317 9.801 -5.290 1.00 0.00 H new ATOM 0 HA CYS A 65 1.024 9.148 -7.083 1.00 0.00 H new ATOM 0 HB2 CYS A 65 2.944 8.000 -8.336 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.058 9.744 -8.207 1.00 0.00 H new ATOM 940 N ASN A 66 1.142 7.322 -4.877 1.00 0.00 N ATOM 941 CA ASN A 66 0.866 5.989 -4.281 1.00 0.00 C ATOM 942 C ASN A 66 -0.611 5.536 -4.444 1.00 0.00 C ATOM 943 O ASN A 66 -0.994 4.549 -3.848 1.00 0.00 O ATOM 944 CB ASN A 66 1.187 6.171 -2.792 1.00 0.00 C ATOM 945 CG ASN A 66 2.583 5.633 -2.463 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.888 5.382 -1.314 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.451 5.441 -3.417 1.00 0.00 N ATOM 0 H ASN A 66 0.874 8.118 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 66 1.457 5.218 -4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.129 7.227 -2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.442 5.652 -2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.380 5.082 -3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.201 5.650 -4.384 1.00 0.00 H new ATOM 954 N PRO A 67 -1.412 6.248 -5.219 1.00 0.00 N ATOM 955 CA PRO A 67 -2.824 5.846 -5.379 1.00 0.00 C ATOM 956 C PRO A 67 -2.938 4.757 -6.441 1.00 0.00 C ATOM 957 O PRO A 67 -3.321 5.013 -7.565 1.00 0.00 O ATOM 958 CB PRO A 67 -3.517 7.121 -5.839 1.00 0.00 C ATOM 959 CG PRO A 67 -2.451 7.942 -6.495 1.00 0.00 C ATOM 960 CD PRO A 67 -1.111 7.450 -6.002 1.00 0.00 C ATOM 0 HA PRO A 67 -3.261 5.440 -4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.325 6.899 -6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.959 7.653 -4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.514 7.852 -7.579 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.581 8.997 -6.255 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.444 7.222 -6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.614 8.204 -5.392 1.00 0.00 H new ATOM 968 N HIS A 68 -2.600 3.547 -6.090 1.00 0.00 N ATOM 969 CA HIS A 68 -2.680 2.429 -7.069 1.00 0.00 C ATOM 970 C HIS A 68 -3.922 2.585 -7.950 1.00 0.00 C ATOM 971 O HIS A 68 -4.862 3.262 -7.585 1.00 0.00 O ATOM 972 CB HIS A 68 -2.759 1.172 -6.209 1.00 0.00 C ATOM 973 CG HIS A 68 -3.908 1.283 -5.250 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.019 0.459 -5.333 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.131 2.115 -4.180 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.856 0.810 -4.342 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.365 1.815 -3.608 1.00 0.00 N ATOM 0 H HIS A 68 -2.270 3.284 -5.161 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.828 2.399 -7.749 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.886 0.294 -6.843 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.827 1.037 -5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.454 2.883 -3.836 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.810 0.338 -4.160 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.801 2.265 -2.803 1.00 0.00 H new ATOM 985 N PRO A 69 -3.868 1.974 -9.100 1.00 0.00 N ATOM 986 CA PRO A 69 -4.975 2.065 -10.068 1.00 0.00 C ATOM 987 C PRO A 69 -5.983 0.935 -9.858 1.00 0.00 C ATOM 988 O PRO A 69 -5.895 -0.106 -10.479 1.00 0.00 O ATOM 989 CB PRO A 69 -4.260 1.907 -11.406 1.00 0.00 C ATOM 990 CG PRO A 69 -2.992 1.149 -11.109 1.00 0.00 C ATOM 991 CD PRO A 69 -2.782 1.143 -9.611 1.00 0.00 C ATOM 0 HA PRO A 69 -5.548 2.989 -9.983 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.881 1.365 -12.119 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.040 2.879 -11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.062 0.129 -11.487 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.144 1.617 -11.609 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.828 0.132 -9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.807 1.550 -9.343 1.00 0.00 H new ATOM 999 N LYS A 70 -6.948 1.124 -8.999 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.950 0.043 -8.785 1.00 0.00 C ATOM 1001 C LYS A 70 -9.308 0.618 -8.378 1.00 0.00 C ATOM 1002 O LYS A 70 -10.185 -0.105 -7.966 1.00 0.00 O ATOM 1003 CB LYS A 70 -7.390 -0.822 -7.654 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.810 -2.137 -8.199 1.00 0.00 C ATOM 1005 CD LYS A 70 -7.663 -2.695 -9.354 1.00 0.00 C ATOM 1006 CE LYS A 70 -9.164 -2.533 -9.049 1.00 0.00 C ATOM 1007 NZ LYS A 70 -9.748 -1.794 -10.214 1.00 0.00 N ATOM 0 H LYS A 70 -7.085 1.968 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.111 -0.527 -9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.614 -0.272 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.179 -1.040 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.790 -1.970 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.757 -2.873 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.416 -2.174 -10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.430 -3.748 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.643 -3.504 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.316 -1.981 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.405 -1.065 -9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.984 -1.343 -10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.261 -2.460 -10.826 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.495 1.899 -8.483 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.807 2.488 -8.098 1.00 0.00 C ATOM 1023 C GLN A 71 -11.893 2.068 -9.095 1.00 0.00 C ATOM 1024 O GLN A 71 -12.235 2.810 -9.993 1.00 0.00 O ATOM 1025 CB GLN A 71 -10.581 3.993 -8.165 1.00 0.00 C ATOM 1026 CG GLN A 71 -10.944 4.619 -6.821 1.00 0.00 C ATOM 1027 CD GLN A 71 -9.899 5.672 -6.446 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -9.674 6.611 -7.183 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -9.251 5.556 -5.319 1.00 0.00 N ATOM 0 H GLN A 71 -8.799 2.565 -8.818 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.139 2.159 -7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.540 4.205 -8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.189 4.429 -8.958 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.932 5.076 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.992 3.849 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.440 4.767 -4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.555 6.254 -5.057 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.765 -3.477 1.273 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.349 -3.623 0.828 1.00 0.00 C ATOM 1106 C ARG B 2 -9.037 -2.715 -0.354 1.00 0.00 C ATOM 1107 O ARG B 2 -9.794 -2.612 -1.298 1.00 0.00 O ATOM 1108 CB ARG B 2 -9.195 -5.083 0.379 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.733 -5.937 1.562 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.492 -6.735 1.159 1.00 0.00 C ATOM 1111 NE ARG B 2 -6.968 -7.300 2.432 1.00 0.00 N ATOM 1112 CZ ARG B 2 -6.428 -6.512 3.321 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -5.160 -6.216 3.245 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -7.158 -6.019 4.284 1.00 0.00 N ATOM 0 HA ARG B 2 -8.672 -3.353 1.638 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -10.144 -5.458 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.473 -5.150 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.508 -5.301 2.418 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -9.530 -6.614 1.869 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.743 -7.524 0.451 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.752 -6.097 0.676 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.031 -8.302 2.610 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.591 -6.600 2.491 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.738 -5.600 3.940 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.150 -6.250 4.341 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -6.737 -5.403 4.979 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.881 -2.125 -0.340 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.452 -1.297 -1.496 1.00 0.00 C ATOM 1130 C TYR B 3 -6.568 -2.227 -2.300 1.00 0.00 C ATOM 1131 O TYR B 3 -5.428 -1.944 -2.610 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.643 -0.106 -0.950 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.836 0.032 0.541 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -7.878 0.818 1.046 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.971 -0.634 1.416 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -8.054 0.937 2.428 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -6.147 -0.514 2.797 1.00 0.00 C ATOM 1138 CZ TYR B 3 -7.188 0.270 3.301 1.00 0.00 C ATOM 1139 OH TYR B 3 -7.361 0.385 4.661 1.00 0.00 O ATOM 0 H TYR B 3 -7.210 -2.180 0.426 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.270 -0.900 -2.096 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.585 -0.246 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.956 0.811 -1.449 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -8.545 1.332 0.369 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.168 -1.240 1.024 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.857 1.543 2.821 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -5.479 -1.026 3.474 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.297 0.603 4.854 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.103 -3.382 -2.572 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.345 -4.432 -3.285 1.00 0.00 C ATOM 1151 C TYR B 4 -6.036 -4.031 -4.712 1.00 0.00 C ATOM 1152 O TYR B 4 -6.209 -2.902 -5.128 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.297 -5.628 -3.310 1.00 0.00 C ATOM 1154 CG TYR B 4 -6.676 -6.818 -2.625 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -5.996 -6.660 -1.415 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -6.790 -8.087 -3.206 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -5.427 -7.772 -0.785 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.222 -9.198 -2.578 1.00 0.00 C ATOM 1159 CZ TYR B 4 -5.540 -9.042 -1.367 1.00 0.00 C ATOM 1160 OH TYR B 4 -4.975 -10.137 -0.750 1.00 0.00 O ATOM 0 H TYR B 4 -8.057 -3.644 -2.322 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.391 -4.630 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.232 -5.365 -2.816 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.542 -5.883 -4.341 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -5.910 -5.681 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.318 -8.207 -4.141 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -4.900 -7.652 0.150 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.309 -10.176 -3.027 1.00 0.00 H new ATOM 0 HH TYR B 4 -5.571 -10.909 -0.844 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.587 -4.984 -5.452 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.250 -4.745 -6.885 1.00 0.00 C ATOM 1172 C GLU B 5 -6.439 -5.140 -7.763 1.00 0.00 C ATOM 1173 O GLU B 5 -6.300 -5.411 -8.940 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.045 -5.640 -7.168 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.392 -7.088 -6.817 1.00 0.00 C ATOM 1176 CD GLU B 5 -4.067 -7.993 -8.007 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -4.926 -8.150 -8.859 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -2.964 -8.513 -8.046 1.00 0.00 O ATOM 0 H GLU B 5 -5.432 -5.939 -5.130 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.027 -3.699 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.763 -5.567 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -3.187 -5.308 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -3.828 -7.406 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.449 -7.169 -6.563 1.00 0.00 H new ATOM 1185 N SER B 6 -7.608 -5.168 -7.188 1.00 0.00 N ATOM 1186 CA SER B 6 -8.830 -5.535 -7.957 1.00 0.00 C ATOM 1187 C SER B 6 -10.061 -5.000 -7.221 1.00 0.00 C ATOM 1188 O SER B 6 -11.114 -5.605 -7.224 1.00 0.00 O ATOM 1189 CB SER B 6 -8.840 -7.063 -7.985 1.00 0.00 C ATOM 1190 OG SER B 6 -9.019 -7.507 -9.323 1.00 0.00 O ATOM 0 H SER B 6 -7.771 -4.949 -6.205 1.00 0.00 H new ATOM 0 HA SER B 6 -8.840 -5.119 -8.965 1.00 0.00 H new ATOM 0 HB2 SER B 6 -7.904 -7.452 -7.583 1.00 0.00 H new ATOM 0 HB3 SER B 6 -9.642 -7.445 -7.353 1.00 0.00 H new ATOM 0 HG SER B 6 -9.024 -8.487 -9.345 1.00 0.00 H new ATOM 1196 N SER B 7 -9.919 -3.867 -6.581 1.00 0.00 N ATOM 1197 CA SER B 7 -11.051 -3.262 -5.819 1.00 0.00 C ATOM 1198 C SER B 7 -10.496 -2.207 -4.862 1.00 0.00 C ATOM 1199 O SER B 7 -10.036 -2.517 -3.781 1.00 0.00 O ATOM 1200 CB SER B 7 -11.682 -4.411 -5.029 1.00 0.00 C ATOM 1201 OG SER B 7 -12.995 -4.652 -5.518 1.00 0.00 O ATOM 0 H SER B 7 -9.053 -3.328 -6.555 1.00 0.00 H new ATOM 0 HA SER B 7 -11.782 -2.782 -6.470 1.00 0.00 H new ATOM 0 HB2 SER B 7 -11.075 -5.311 -5.126 1.00 0.00 H new ATOM 0 HB3 SER B 7 -11.716 -4.162 -3.968 1.00 0.00 H new ATOM 0 HG SER B 7 -12.943 -5.073 -6.402 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.521 -0.964 -5.251 1.00 0.00 N ATOM 1208 CA LEU B 8 -9.978 0.100 -4.362 1.00 0.00 C ATOM 1209 C LEU B 8 -11.114 0.805 -3.622 1.00 0.00 C ATOM 1210 O LEU B 8 -11.578 1.857 -4.016 1.00 0.00 O ATOM 1211 CB LEU B 8 -9.254 1.066 -5.297 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.066 2.426 -4.616 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -8.753 2.238 -3.131 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -7.902 3.152 -5.278 1.00 0.00 C ATOM 0 H LEU B 8 -10.893 -0.639 -6.143 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.311 -0.300 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -8.284 0.654 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.825 1.188 -6.217 1.00 0.00 H new ATOM 0 HG LEU B 8 -9.984 3.005 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -8.622 3.212 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -9.576 1.710 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -7.837 1.657 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.759 4.122 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.994 2.558 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.118 3.297 -6.336 1.00 0.00 H new