USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 591 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 27 MET CE :methyl 159:sc= -0.0593 (180deg=-0.413) USER MOD Set 1.2: A 68 HIS : +bothHN:sc= -2.17 K(o=-2.2,f=-9.6!) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.975 USER MOD Set 2.2: A 12 SER OG : rot 172:sc= 0.928 USER MOD Single : A 1 ILE N :NH3+ 142:sc= 0.866 (180deg=-0.633) USER MOD Single : A 4 HIS : no HD1:sc= -0.971 K(o=-0.97,f=-2.8) USER MOD Single : A 5 THR OG1 : rot -96:sc= 0.742 USER MOD Single : A 6 THR OG1 : rot -120:sc= -0.306 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0881 USER MOD Single : A 21 ASN : amide:sc= -0.502 K(o=-0.5,f=-5.7!) USER MOD Single : A 24 TYR OH : rot 11:sc= 0.538 USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= 0.398 (180deg=-0.189) USER MOD Single : A 34 SER OG : rot -94:sc= 0.0734 USER MOD Single : A 35 SER OG : rot 3:sc= 0.0234 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0226 (180deg=-0.269) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 50 SER OG : rot 44:sc= 0.818 USER MOD Single : A 51 LYS NZ :NH3+ -117:sc= 0.586 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -66:sc= 1.26 USER MOD Single : A 58 THR OG1 : rot -156:sc= -1.77! USER MOD Single : A 61 SER OG : rot 46:sc= 0.266 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= -0.214 (180deg=-0.395) USER MOD Single : A 66 ASN : amide:sc= -0.69 K(o=-0.69,f=-5.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : B 79 TYR OH : rot 56:sc= 1.89 USER MOD Single : B 80 TYR OH : rot 180:sc= -0.0216 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -3.379 13.889 -4.481 1.00 0.00 N ATOM 2 CA ILE A 1 -2.960 12.799 -5.390 1.00 0.00 C ATOM 3 C ILE A 1 -3.792 11.509 -5.253 1.00 0.00 C ATOM 4 O ILE A 1 -3.900 10.905 -4.189 1.00 0.00 O ATOM 5 CB ILE A 1 -1.431 12.665 -5.300 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.833 13.616 -6.351 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.877 11.227 -5.374 1.00 0.00 C ATOM 8 CD1 ILE A 1 0.689 13.819 -6.287 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.539 14.396 -4.136 1.00 0.00 H new ATOM 0 H2 ILE A 1 -3.996 14.551 -4.994 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.897 13.488 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.193 13.054 -6.424 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.118 12.953 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.088 13.238 -7.341 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.314 14.589 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.210 11.252 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.283 10.638 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.167 10.774 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.998 14.508 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 1 0.960 14.233 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.190 12.861 -6.426 1.00 0.00 H new ATOM 22 N VAL A 2 -4.326 11.156 -6.401 1.00 0.00 N ATOM 23 CA VAL A 2 -5.285 10.047 -6.592 1.00 0.00 C ATOM 24 C VAL A 2 -4.550 8.710 -6.775 1.00 0.00 C ATOM 25 O VAL A 2 -4.370 8.197 -7.884 1.00 0.00 O ATOM 26 CB VAL A 2 -6.241 10.349 -7.779 1.00 0.00 C ATOM 27 CG1 VAL A 2 -7.308 11.368 -7.354 1.00 0.00 C ATOM 28 CG2 VAL A 2 -5.532 10.803 -9.056 1.00 0.00 C ATOM 0 H VAL A 2 -4.107 11.641 -7.271 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.895 9.958 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.716 9.401 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.972 11.572 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.887 10.964 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.824 12.293 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.271 10.993 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.972 11.717 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.847 10.023 -9.388 1.00 0.00 H new ATOM 38 N CYS A 3 -4.100 8.200 -5.640 1.00 0.00 N ATOM 39 CA CYS A 3 -3.245 7.023 -5.544 1.00 0.00 C ATOM 40 C CYS A 3 -3.677 6.299 -4.270 1.00 0.00 C ATOM 41 O CYS A 3 -4.600 6.748 -3.591 1.00 0.00 O ATOM 42 CB CYS A 3 -1.780 7.465 -5.449 1.00 0.00 C ATOM 43 SG CYS A 3 -0.659 6.121 -5.986 1.00 0.00 S ATOM 0 H CYS A 3 -4.325 8.604 -4.731 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.335 6.372 -6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.621 8.347 -6.069 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.547 7.750 -4.423 1.00 0.00 H new ATOM 48 N HIS A 4 -2.927 5.265 -3.906 1.00 0.00 N ATOM 49 CA HIS A 4 -3.327 4.358 -2.820 1.00 0.00 C ATOM 50 C HIS A 4 -3.233 4.956 -1.412 1.00 0.00 C ATOM 51 O HIS A 4 -2.180 5.258 -0.891 1.00 0.00 O ATOM 52 CB HIS A 4 -2.640 3.011 -3.028 1.00 0.00 C ATOM 53 CG HIS A 4 -3.276 2.391 -4.291 1.00 0.00 C ATOM 54 ND1 HIS A 4 -4.513 2.597 -4.734 1.00 0.00 N ATOM 55 CD2 HIS A 4 -2.614 1.793 -5.284 1.00 0.00 C ATOM 56 CE1 HIS A 4 -4.626 2.147 -5.980 1.00 0.00 C ATOM 57 NE2 HIS A 4 -3.438 1.644 -6.317 1.00 0.00 N ATOM 0 H HIS A 4 -2.037 5.028 -4.343 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.402 4.187 -2.880 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.565 3.138 -3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.783 2.364 -2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.580 1.482 -5.253 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.510 2.182 -6.600 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.202 1.218 -7.213 1.00 0.00 H new ATOM 65 N THR A 5 -4.430 5.486 -1.112 1.00 0.00 N ATOM 66 CA THR A 5 -4.833 6.152 0.135 1.00 0.00 C ATOM 67 C THR A 5 -4.981 5.088 1.233 1.00 0.00 C ATOM 68 O THR A 5 -4.713 5.358 2.394 1.00 0.00 O ATOM 69 CB THR A 5 -6.176 6.882 -0.103 1.00 0.00 C ATOM 70 OG1 THR A 5 -5.992 7.948 -1.016 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.910 7.395 1.137 1.00 0.00 C ATOM 0 H THR A 5 -5.196 5.458 -1.784 1.00 0.00 H new ATOM 0 HA THR A 5 -4.085 6.882 0.446 1.00 0.00 H new ATOM 0 HB THR A 5 -6.828 6.106 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.862 8.784 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.835 7.886 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.142 6.558 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.277 8.107 1.666 1.00 0.00 H new ATOM 79 N THR A 6 -5.822 4.132 0.830 1.00 0.00 N ATOM 80 CA THR A 6 -6.228 2.876 1.540 1.00 0.00 C ATOM 81 C THR A 6 -6.800 3.056 2.955 1.00 0.00 C ATOM 82 O THR A 6 -7.123 2.073 3.609 1.00 0.00 O ATOM 83 CB THR A 6 -5.109 1.844 1.518 1.00 0.00 C ATOM 84 OG1 THR A 6 -3.895 2.406 2.006 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.929 1.235 0.128 1.00 0.00 C ATOM 0 H THR A 6 -6.286 4.205 -0.076 1.00 0.00 H new ATOM 0 HA THR A 6 -7.075 2.506 0.962 1.00 0.00 H new ATOM 0 HB THR A 6 -5.393 1.030 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.208 2.356 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.121 0.503 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.854 0.745 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.683 2.022 -0.585 1.00 0.00 H new ATOM 93 N ALA A 7 -7.143 4.297 3.292 1.00 0.00 N ATOM 94 CA ALA A 7 -7.738 4.696 4.586 1.00 0.00 C ATOM 95 C ALA A 7 -9.214 4.280 4.786 1.00 0.00 C ATOM 96 O ALA A 7 -9.801 4.544 5.828 1.00 0.00 O ATOM 97 CB ALA A 7 -7.580 6.220 4.668 1.00 0.00 C ATOM 0 H ALA A 7 -7.014 5.086 2.658 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.218 4.170 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.002 6.580 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.522 6.479 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.103 6.685 3.833 1.00 0.00 H new ATOM 103 N THR A 8 -9.621 3.307 3.972 1.00 0.00 N ATOM 104 CA THR A 8 -11.020 2.919 3.675 1.00 0.00 C ATOM 105 C THR A 8 -11.059 1.617 2.849 1.00 0.00 C ATOM 106 O THR A 8 -10.083 0.862 2.797 1.00 0.00 O ATOM 107 CB THR A 8 -11.745 4.067 2.942 1.00 0.00 C ATOM 108 OG1 THR A 8 -10.902 4.617 1.930 1.00 0.00 O ATOM 109 CG2 THR A 8 -12.309 5.125 3.899 1.00 0.00 C ATOM 0 H THR A 8 -8.951 2.727 3.467 1.00 0.00 H new ATOM 0 HA THR A 8 -11.540 2.732 4.614 1.00 0.00 H new ATOM 0 HB THR A 8 -12.622 3.648 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.373 5.343 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.807 5.906 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.025 4.659 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.496 5.563 4.478 1.00 0.00 H new ATOM 117 N SER A 9 -12.189 1.405 2.182 1.00 0.00 N ATOM 118 CA SER A 9 -12.516 0.227 1.333 1.00 0.00 C ATOM 119 C SER A 9 -11.392 -0.288 0.438 1.00 0.00 C ATOM 120 O SER A 9 -10.683 0.539 -0.130 1.00 0.00 O ATOM 121 CB SER A 9 -13.701 0.662 0.452 1.00 0.00 C ATOM 122 OG SER A 9 -13.334 1.851 -0.235 1.00 0.00 O ATOM 0 H SER A 9 -12.955 2.078 2.210 1.00 0.00 H new ATOM 0 HA SER A 9 -12.727 -0.609 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.954 -0.124 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.586 0.835 1.064 1.00 0.00 H new ATOM 0 HG SER A 9 -14.077 2.143 -0.804 1.00 0.00 H new ATOM 128 N PRO A 10 -11.275 -1.627 0.283 1.00 0.00 N ATOM 129 CA PRO A 10 -10.358 -2.335 -0.636 1.00 0.00 C ATOM 130 C PRO A 10 -9.718 -1.559 -1.794 1.00 0.00 C ATOM 131 O PRO A 10 -10.269 -1.393 -2.874 1.00 0.00 O ATOM 132 CB PRO A 10 -11.175 -3.545 -1.052 1.00 0.00 C ATOM 133 CG PRO A 10 -11.798 -3.963 0.277 1.00 0.00 C ATOM 134 CD PRO A 10 -12.084 -2.633 0.990 1.00 0.00 C ATOM 0 HA PRO A 10 -9.426 -2.571 -0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.929 -3.294 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.554 -4.332 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.711 -4.539 0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.119 -4.588 0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.144 -2.385 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.811 -2.686 2.044 1.00 0.00 H new ATOM 142 N ILE A 11 -8.568 -1.013 -1.416 1.00 0.00 N ATOM 143 CA ILE A 11 -7.549 -0.308 -2.217 1.00 0.00 C ATOM 144 C ILE A 11 -8.122 0.975 -2.844 1.00 0.00 C ATOM 145 O ILE A 11 -8.078 1.238 -4.045 1.00 0.00 O ATOM 146 CB ILE A 11 -6.792 -1.182 -3.245 1.00 0.00 C ATOM 147 CG1 ILE A 11 -6.695 -2.687 -2.928 1.00 0.00 C ATOM 148 CG2 ILE A 11 -5.402 -0.552 -3.461 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.098 -3.095 -1.571 1.00 0.00 C ATOM 0 H ILE A 11 -8.287 -1.053 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.775 -0.026 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.387 -1.178 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.698 -3.109 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.100 -3.157 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.841 -1.146 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.518 0.464 -3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.863 -0.527 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.093 -4.182 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.077 -2.721 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.700 -2.672 -0.767 1.00 0.00 H new ATOM 161 N SER A 12 -8.432 1.884 -1.923 1.00 0.00 N ATOM 162 CA SER A 12 -9.143 3.132 -2.210 1.00 0.00 C ATOM 163 C SER A 12 -8.182 4.238 -2.613 1.00 0.00 C ATOM 164 O SER A 12 -7.329 4.662 -1.829 1.00 0.00 O ATOM 165 CB SER A 12 -9.960 3.539 -0.994 1.00 0.00 C ATOM 166 OG SER A 12 -9.108 3.520 0.153 1.00 0.00 O ATOM 0 H SER A 12 -8.193 1.774 -0.938 1.00 0.00 H new ATOM 0 HA SER A 12 -9.813 2.966 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.381 4.534 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.798 2.856 -0.855 1.00 0.00 H new ATOM 0 HG SER A 12 -9.583 3.904 0.919 1.00 0.00 H new ATOM 172 N ALA A 13 -8.079 4.370 -3.933 1.00 0.00 N ATOM 173 CA ALA A 13 -7.414 5.513 -4.578 1.00 0.00 C ATOM 174 C ALA A 13 -8.304 6.768 -4.467 1.00 0.00 C ATOM 175 O ALA A 13 -9.357 6.863 -5.115 1.00 0.00 O ATOM 176 CB ALA A 13 -7.123 5.162 -6.042 1.00 0.00 C ATOM 0 H ALA A 13 -8.454 3.688 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.470 5.729 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.630 6.004 -6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.473 4.288 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.059 4.944 -6.557 1.00 0.00 H new ATOM 182 N VAL A 14 -7.961 7.609 -3.498 1.00 0.00 N ATOM 183 CA VAL A 14 -8.777 8.787 -3.156 1.00 0.00 C ATOM 184 C VAL A 14 -7.942 10.060 -3.354 1.00 0.00 C ATOM 185 O VAL A 14 -7.958 10.692 -4.407 1.00 0.00 O ATOM 186 CB VAL A 14 -9.395 8.630 -1.748 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.237 9.842 -1.314 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.273 7.384 -1.635 1.00 0.00 C ATOM 0 H VAL A 14 -7.121 7.503 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.630 8.875 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.534 8.541 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.641 9.666 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.610 10.734 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.057 9.986 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.684 7.318 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.088 7.447 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.674 6.497 -1.841 1.00 0.00 H new ATOM 198 N THR A 15 -7.206 10.419 -2.313 1.00 0.00 N ATOM 199 CA THR A 15 -6.311 11.592 -2.264 1.00 0.00 C ATOM 200 C THR A 15 -5.349 11.371 -1.096 1.00 0.00 C ATOM 201 O THR A 15 -5.684 10.686 -0.121 1.00 0.00 O ATOM 202 CB THR A 15 -7.023 12.938 -2.053 1.00 0.00 C ATOM 203 OG1 THR A 15 -8.250 12.989 -2.784 1.00 0.00 O ATOM 204 CG2 THR A 15 -6.156 14.102 -2.538 1.00 0.00 C ATOM 0 H THR A 15 -7.207 9.890 -1.441 1.00 0.00 H new ATOM 0 HA THR A 15 -5.819 11.663 -3.234 1.00 0.00 H new ATOM 0 HB THR A 15 -7.213 13.026 -0.983 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.685 13.854 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.685 15.041 -2.376 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.218 14.113 -1.983 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.947 13.982 -3.601 1.00 0.00 H new ATOM 212 N CYS A 16 -4.106 11.755 -1.327 1.00 0.00 N ATOM 213 CA CYS A 16 -3.042 11.618 -0.325 1.00 0.00 C ATOM 214 C CYS A 16 -2.401 12.940 0.138 1.00 0.00 C ATOM 215 O CYS A 16 -1.350 13.316 -0.357 1.00 0.00 O ATOM 216 CB CYS A 16 -2.003 10.640 -0.882 1.00 0.00 C ATOM 217 SG CYS A 16 -2.603 8.922 -0.951 1.00 0.00 S ATOM 0 H CYS A 16 -3.798 12.169 -2.207 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.495 11.234 0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.714 10.958 -1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.106 10.681 -0.264 1.00 0.00 H new ATOM 222 N PRO A 17 -3.004 13.618 1.144 1.00 0.00 N ATOM 223 CA PRO A 17 -2.349 14.757 1.813 1.00 0.00 C ATOM 224 C PRO A 17 -0.914 14.528 2.329 1.00 0.00 C ATOM 225 O PRO A 17 -0.079 15.365 1.977 1.00 0.00 O ATOM 226 CB PRO A 17 -3.346 15.198 2.901 1.00 0.00 C ATOM 227 CG PRO A 17 -4.683 14.883 2.255 1.00 0.00 C ATOM 228 CD PRO A 17 -4.430 13.566 1.501 1.00 0.00 C ATOM 0 HA PRO A 17 -2.150 15.544 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.203 14.648 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.248 16.257 3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.470 14.771 3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.996 15.677 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.652 12.701 2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.059 13.488 0.614 1.00 0.00 H new ATOM 236 N PRO A 18 -0.547 13.443 3.037 1.00 0.00 N ATOM 237 CA PRO A 18 0.823 13.258 3.545 1.00 0.00 C ATOM 238 C PRO A 18 1.803 12.950 2.396 1.00 0.00 C ATOM 239 O PRO A 18 1.616 11.972 1.668 1.00 0.00 O ATOM 240 CB PRO A 18 0.762 12.086 4.525 1.00 0.00 C ATOM 241 CG PRO A 18 -0.717 11.960 4.858 1.00 0.00 C ATOM 242 CD PRO A 18 -1.398 12.345 3.547 1.00 0.00 C ATOM 0 HA PRO A 18 1.184 14.165 4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.149 11.171 4.077 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.357 12.281 5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.977 10.947 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.005 12.624 5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.435 11.507 2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.425 12.672 3.707 1.00 0.00 H new ATOM 250 N GLY A 19 2.602 13.967 2.093 1.00 0.00 N ATOM 251 CA GLY A 19 3.709 13.886 1.106 1.00 0.00 C ATOM 252 C GLY A 19 3.305 14.013 -0.371 1.00 0.00 C ATOM 253 O GLY A 19 4.057 14.554 -1.174 1.00 0.00 O ATOM 0 H GLY A 19 2.511 14.888 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.430 14.671 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.221 12.933 1.241 1.00 0.00 H new ATOM 257 N GLU A 20 2.161 13.414 -0.691 1.00 0.00 N ATOM 258 CA GLU A 20 1.454 13.442 -2.015 1.00 0.00 C ATOM 259 C GLU A 20 2.052 12.437 -3.016 1.00 0.00 C ATOM 260 O GLU A 20 1.434 11.424 -3.321 1.00 0.00 O ATOM 261 CB GLU A 20 1.382 14.858 -2.596 1.00 0.00 C ATOM 262 CG GLU A 20 0.562 15.849 -1.755 1.00 0.00 C ATOM 263 CD GLU A 20 -0.961 15.683 -1.846 1.00 0.00 C ATOM 264 OE1 GLU A 20 -1.435 15.094 -2.842 1.00 0.00 O ATOM 265 OE2 GLU A 20 -1.645 16.237 -0.970 1.00 0.00 O ATOM 0 H GLU A 20 1.653 12.855 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 20 0.428 13.123 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.395 15.245 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.951 14.806 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.860 15.748 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.820 16.862 -2.064 1.00 0.00 H new ATOM 272 N ASN A 21 3.334 12.621 -3.287 1.00 0.00 N ATOM 273 CA ASN A 21 4.094 11.906 -4.332 1.00 0.00 C ATOM 274 C ASN A 21 4.107 10.373 -4.162 1.00 0.00 C ATOM 275 O ASN A 21 3.734 9.643 -5.084 1.00 0.00 O ATOM 276 CB ASN A 21 5.524 12.451 -4.396 1.00 0.00 C ATOM 277 CG ASN A 21 6.365 12.272 -3.119 1.00 0.00 C ATOM 278 OD1 ASN A 21 5.898 12.446 -1.994 1.00 0.00 O ATOM 279 ND2 ASN A 21 7.617 11.919 -3.253 1.00 0.00 N ATOM 0 H ASN A 21 3.905 13.293 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 21 3.576 12.093 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.042 11.963 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.478 13.514 -4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.201 11.789 -2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.009 11.773 -4.183 1.00 0.00 H new ATOM 286 N LEU A 22 4.289 9.947 -2.922 1.00 0.00 N ATOM 287 CA LEU A 22 4.757 8.586 -2.614 1.00 0.00 C ATOM 288 C LEU A 22 3.697 7.717 -1.956 1.00 0.00 C ATOM 289 O LEU A 22 3.590 7.574 -0.725 1.00 0.00 O ATOM 290 CB LEU A 22 6.058 8.792 -1.810 1.00 0.00 C ATOM 291 CG LEU A 22 7.064 7.637 -1.872 1.00 0.00 C ATOM 292 CD1 LEU A 22 6.640 6.467 -0.986 1.00 0.00 C ATOM 293 CD2 LEU A 22 7.394 7.212 -3.314 1.00 0.00 C ATOM 0 H LEU A 22 4.120 10.524 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 22 4.964 8.000 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.548 9.697 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.796 8.966 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 22 8.001 8.013 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.379 5.669 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.567 6.802 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.670 6.094 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.111 6.391 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.482 6.887 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.823 8.057 -3.853 1.00 0.00 H new ATOM 305 N CYS A 23 3.058 7.004 -2.861 1.00 0.00 N ATOM 306 CA CYS A 23 2.063 5.973 -2.559 1.00 0.00 C ATOM 307 C CYS A 23 2.756 4.624 -2.639 1.00 0.00 C ATOM 308 O CYS A 23 3.361 4.231 -3.645 1.00 0.00 O ATOM 309 CB CYS A 23 0.842 6.061 -3.474 1.00 0.00 C ATOM 310 SG CYS A 23 1.124 6.649 -5.187 1.00 0.00 S ATOM 0 H CYS A 23 3.216 7.123 -3.862 1.00 0.00 H new ATOM 0 HA CYS A 23 1.668 6.121 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.386 5.072 -3.526 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.114 6.723 -3.004 1.00 0.00 H new ATOM 315 N TYR A 24 2.848 4.053 -1.455 1.00 0.00 N ATOM 316 CA TYR A 24 3.599 2.834 -1.165 1.00 0.00 C ATOM 317 C TYR A 24 2.708 1.612 -0.894 1.00 0.00 C ATOM 318 O TYR A 24 1.606 1.718 -0.351 1.00 0.00 O ATOM 319 CB TYR A 24 4.579 3.064 -0.013 1.00 0.00 C ATOM 320 CG TYR A 24 3.955 3.599 1.295 1.00 0.00 C ATOM 321 CD1 TYR A 24 3.155 2.729 2.075 1.00 0.00 C ATOM 322 CD2 TYR A 24 4.177 4.932 1.662 1.00 0.00 C ATOM 323 CE1 TYR A 24 2.522 3.235 3.219 1.00 0.00 C ATOM 324 CE2 TYR A 24 3.556 5.427 2.826 1.00 0.00 C ATOM 325 CZ TYR A 24 2.710 4.589 3.577 1.00 0.00 C ATOM 326 OH TYR A 24 1.964 5.102 4.583 1.00 0.00 O ATOM 0 H TYR A 24 2.385 4.436 -0.631 1.00 0.00 H new ATOM 0 HA TYR A 24 4.160 2.600 -2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.084 2.123 0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.343 3.767 -0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.035 1.693 1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.812 5.569 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.895 2.595 3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.728 6.446 3.141 1.00 0.00 H new ATOM 0 HH TYR A 24 1.497 4.376 5.047 1.00 0.00 H new ATOM 336 N ARG A 25 3.059 0.605 -1.668 1.00 0.00 N ATOM 337 CA ARG A 25 2.812 -0.800 -1.340 1.00 0.00 C ATOM 338 C ARG A 25 4.084 -1.398 -0.702 1.00 0.00 C ATOM 339 O ARG A 25 5.078 -1.671 -1.367 1.00 0.00 O ATOM 340 CB ARG A 25 2.471 -1.522 -2.654 1.00 0.00 C ATOM 341 CG ARG A 25 2.366 -3.037 -2.537 1.00 0.00 C ATOM 342 CD ARG A 25 2.789 -3.625 -3.877 1.00 0.00 C ATOM 343 NE ARG A 25 2.698 -5.087 -3.878 1.00 0.00 N ATOM 344 CZ ARG A 25 3.343 -5.920 -4.701 1.00 0.00 C ATOM 345 NH1 ARG A 25 4.231 -5.535 -5.606 1.00 0.00 N ATOM 346 NH2 ARG A 25 3.041 -7.212 -4.647 1.00 0.00 N ATOM 0 H ARG A 25 3.534 0.734 -2.562 1.00 0.00 H new ATOM 0 HA ARG A 25 1.991 -0.910 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.525 -1.134 -3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.233 -1.280 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.007 -3.406 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.346 -3.334 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.158 -3.220 -4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.812 -3.324 -4.100 1.00 0.00 H new ATOM 0 HE ARG A 25 2.083 -5.511 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.460 -4.546 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.685 -6.227 -6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.334 -7.544 -3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.516 -7.873 -5.262 1.00 0.00 H new ATOM 360 N LYS A 26 4.069 -1.452 0.620 1.00 0.00 N ATOM 361 CA LYS A 26 5.111 -2.170 1.391 1.00 0.00 C ATOM 362 C LYS A 26 4.456 -3.432 1.974 1.00 0.00 C ATOM 363 O LYS A 26 3.583 -3.351 2.833 1.00 0.00 O ATOM 364 CB LYS A 26 5.716 -1.287 2.478 1.00 0.00 C ATOM 365 CG LYS A 26 6.282 0.018 1.934 1.00 0.00 C ATOM 366 CD LYS A 26 6.889 0.856 3.063 1.00 0.00 C ATOM 367 CE LYS A 26 7.149 2.309 2.640 1.00 0.00 C ATOM 368 NZ LYS A 26 7.951 2.367 1.412 1.00 0.00 N ATOM 0 H LYS A 26 3.352 -1.011 1.196 1.00 0.00 H new ATOM 0 HA LYS A 26 5.943 -2.445 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.953 -1.063 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.508 -1.837 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.043 -0.195 1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.493 0.584 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.217 0.845 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.826 0.401 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.199 2.820 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.666 2.837 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.721 3.056 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.353 1.428 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.348 2.658 0.617 1.00 0.00 H new ATOM 382 N MET A 27 4.773 -4.545 1.334 1.00 0.00 N ATOM 383 CA MET A 27 4.109 -5.847 1.495 1.00 0.00 C ATOM 384 C MET A 27 5.106 -7.018 1.654 1.00 0.00 C ATOM 385 O MET A 27 5.982 -7.207 0.806 1.00 0.00 O ATOM 386 CB MET A 27 3.259 -5.971 0.223 1.00 0.00 C ATOM 387 CG MET A 27 2.430 -7.242 0.103 1.00 0.00 C ATOM 388 SD MET A 27 1.792 -7.375 -1.611 1.00 0.00 S ATOM 389 CE MET A 27 1.253 -9.074 -1.607 1.00 0.00 C ATOM 0 H MET A 27 5.534 -4.577 0.655 1.00 0.00 H new ATOM 0 HA MET A 27 3.516 -5.899 2.408 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.586 -5.115 0.173 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.920 -5.908 -0.641 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.038 -8.113 0.348 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.603 -7.221 0.813 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.522 -9.226 -2.401 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.109 -9.728 -1.773 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.798 -9.309 -0.645 1.00 0.00 H new ATOM 399 N TRP A 28 4.975 -7.761 2.742 1.00 0.00 N ATOM 400 CA TRP A 28 5.863 -8.920 3.038 1.00 0.00 C ATOM 401 C TRP A 28 5.183 -10.201 3.596 1.00 0.00 C ATOM 402 O TRP A 28 4.350 -10.786 2.897 1.00 0.00 O ATOM 403 CB TRP A 28 7.071 -8.368 3.814 1.00 0.00 C ATOM 404 CG TRP A 28 6.679 -7.611 5.085 1.00 0.00 C ATOM 405 CD1 TRP A 28 6.285 -8.203 6.206 1.00 0.00 C ATOM 406 CD2 TRP A 28 6.371 -6.256 5.195 1.00 0.00 C ATOM 407 NE1 TRP A 28 5.720 -7.319 7.005 1.00 0.00 N ATOM 408 CE2 TRP A 28 5.717 -6.127 6.427 1.00 0.00 C ATOM 409 CE3 TRP A 28 6.520 -5.121 4.367 1.00 0.00 C ATOM 410 CZ2 TRP A 28 5.115 -4.925 6.830 1.00 0.00 C ATOM 411 CZ3 TRP A 28 5.999 -3.885 4.810 1.00 0.00 C ATOM 412 CH2 TRP A 28 5.278 -3.791 6.019 1.00 0.00 C ATOM 0 H TRP A 28 4.262 -7.595 3.452 1.00 0.00 H new ATOM 0 HA TRP A 28 6.212 -9.359 2.103 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.731 -9.193 4.080 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.639 -7.703 3.164 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.409 -9.252 6.430 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.342 -7.523 7.930 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.022 -5.197 3.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 4.540 -4.874 7.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.155 -2.998 4.214 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.851 -2.846 6.321 1.00 0.00 H new ATOM 423 N CYS A 29 5.611 -10.732 4.743 1.00 0.00 N ATOM 424 CA CYS A 29 4.989 -11.911 5.396 1.00 0.00 C ATOM 425 C CYS A 29 3.893 -11.613 6.425 1.00 0.00 C ATOM 426 O CYS A 29 4.105 -10.828 7.332 1.00 0.00 O ATOM 427 CB CYS A 29 6.138 -12.745 6.003 1.00 0.00 C ATOM 428 SG CYS A 29 5.689 -14.293 6.885 1.00 0.00 S ATOM 0 H CYS A 29 6.408 -10.359 5.259 1.00 0.00 H new ATOM 0 HA CYS A 29 4.440 -12.460 4.631 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.827 -13.004 5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.685 -12.108 6.698 1.00 0.00 H new ATOM 433 N ASP A 30 2.749 -12.278 6.235 1.00 0.00 N ATOM 434 CA ASP A 30 1.506 -12.187 7.062 1.00 0.00 C ATOM 435 C ASP A 30 1.452 -11.152 8.201 1.00 0.00 C ATOM 436 O ASP A 30 0.862 -10.093 8.037 1.00 0.00 O ATOM 437 CB ASP A 30 0.992 -13.579 7.477 1.00 0.00 C ATOM 438 CG ASP A 30 2.047 -14.496 8.094 1.00 0.00 C ATOM 439 OD1 ASP A 30 2.266 -14.345 9.319 1.00 0.00 O ATOM 440 OD2 ASP A 30 2.666 -15.251 7.320 1.00 0.00 O ATOM 0 H ASP A 30 2.643 -12.935 5.462 1.00 0.00 H new ATOM 0 HA ASP A 30 0.798 -11.740 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.179 -13.452 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.571 -14.071 6.600 1.00 0.00 H new ATOM 445 N ALA A 31 2.078 -11.439 9.348 1.00 0.00 N ATOM 446 CA ALA A 31 2.147 -10.469 10.457 1.00 0.00 C ATOM 447 C ALA A 31 3.596 -10.128 10.862 1.00 0.00 C ATOM 448 O ALA A 31 3.975 -10.172 12.032 1.00 0.00 O ATOM 449 CB ALA A 31 1.302 -11.026 11.609 1.00 0.00 C ATOM 0 H ALA A 31 2.542 -12.327 9.536 1.00 0.00 H new ATOM 0 HA ALA A 31 1.737 -9.509 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.330 -10.332 12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.272 -11.152 11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.703 -11.990 11.921 1.00 0.00 H new ATOM 455 N PHE A 32 4.386 -9.719 9.864 1.00 0.00 N ATOM 456 CA PHE A 32 5.866 -9.564 9.851 1.00 0.00 C ATOM 457 C PHE A 32 6.700 -10.805 10.217 1.00 0.00 C ATOM 458 O PHE A 32 7.900 -10.874 9.960 1.00 0.00 O ATOM 459 CB PHE A 32 6.409 -8.249 10.441 1.00 0.00 C ATOM 460 CG PHE A 32 6.108 -7.926 11.912 1.00 0.00 C ATOM 461 CD1 PHE A 32 6.443 -8.839 12.938 1.00 0.00 C ATOM 462 CD2 PHE A 32 5.708 -6.606 12.219 1.00 0.00 C ATOM 463 CE1 PHE A 32 6.358 -8.431 14.287 1.00 0.00 C ATOM 464 CE2 PHE A 32 5.633 -6.200 13.571 1.00 0.00 C ATOM 465 CZ PHE A 32 5.959 -7.111 14.593 1.00 0.00 C ATOM 0 H PHE A 32 3.984 -9.463 8.962 1.00 0.00 H new ATOM 0 HA PHE A 32 6.037 -9.468 8.779 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.492 -8.253 10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.022 -7.429 9.836 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.762 -9.841 12.692 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.462 -5.913 11.428 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.597 -9.124 15.080 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.327 -5.194 13.819 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.903 -6.797 15.625 1.00 0.00 H new ATOM 475 N CYS A 33 6.066 -11.667 11.012 1.00 0.00 N ATOM 476 CA CYS A 33 6.321 -13.106 11.179 1.00 0.00 C ATOM 477 C CYS A 33 7.415 -13.517 12.189 1.00 0.00 C ATOM 478 O CYS A 33 7.653 -14.686 12.435 1.00 0.00 O ATOM 479 CB CYS A 33 6.550 -13.812 9.825 1.00 0.00 C ATOM 480 SG CYS A 33 5.117 -13.598 8.708 1.00 0.00 S ATOM 0 H CYS A 33 5.297 -11.356 11.606 1.00 0.00 H new ATOM 0 HA CYS A 33 5.394 -13.452 11.636 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.446 -13.411 9.351 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.727 -14.874 9.993 1.00 0.00 H new ATOM 485 N SER A 34 8.110 -12.492 12.691 1.00 0.00 N ATOM 486 CA SER A 34 9.001 -12.573 13.867 1.00 0.00 C ATOM 487 C SER A 34 8.191 -12.540 15.181 1.00 0.00 C ATOM 488 O SER A 34 8.463 -13.300 16.110 1.00 0.00 O ATOM 489 CB SER A 34 10.001 -11.425 13.805 1.00 0.00 C ATOM 490 OG SER A 34 9.330 -10.254 13.324 1.00 0.00 O ATOM 0 H SER A 34 8.072 -11.557 12.285 1.00 0.00 H new ATOM 0 HA SER A 34 9.539 -13.521 13.850 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.424 -11.239 14.792 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.830 -11.682 13.146 1.00 0.00 H new ATOM 0 HG SER A 34 9.447 -10.185 12.353 1.00 0.00 H new ATOM 496 N SER A 35 7.289 -11.579 15.281 1.00 0.00 N ATOM 497 CA SER A 35 6.167 -11.652 16.245 1.00 0.00 C ATOM 498 C SER A 35 4.829 -11.526 15.475 1.00 0.00 C ATOM 499 O SER A 35 4.619 -12.278 14.532 1.00 0.00 O ATOM 500 CB SER A 35 6.322 -10.659 17.400 1.00 0.00 C ATOM 501 OG SER A 35 7.502 -10.962 18.147 1.00 0.00 O ATOM 0 H SER A 35 7.298 -10.732 14.713 1.00 0.00 H new ATOM 0 HA SER A 35 6.173 -12.625 16.736 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.378 -9.642 17.012 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.448 -10.704 18.050 1.00 0.00 H new ATOM 0 HG SER A 35 7.976 -11.707 17.722 1.00 0.00 H new ATOM 507 N ARG A 36 4.061 -10.468 15.724 1.00 0.00 N ATOM 508 CA ARG A 36 2.736 -10.249 15.117 1.00 0.00 C ATOM 509 C ARG A 36 2.534 -8.745 14.898 1.00 0.00 C ATOM 510 O ARG A 36 2.842 -7.947 15.779 1.00 0.00 O ATOM 511 CB ARG A 36 1.612 -10.792 16.007 1.00 0.00 C ATOM 512 CG ARG A 36 1.621 -12.312 16.262 1.00 0.00 C ATOM 513 CD ARG A 36 1.031 -13.167 15.136 1.00 0.00 C ATOM 514 NE ARG A 36 2.041 -13.488 14.107 1.00 0.00 N ATOM 515 CZ ARG A 36 1.878 -14.239 13.021 1.00 0.00 C ATOM 516 NH1 ARG A 36 0.683 -14.563 12.547 1.00 0.00 N ATOM 517 NH2 ARG A 36 2.933 -14.526 12.270 1.00 0.00 N ATOM 0 H ARG A 36 4.340 -9.723 16.362 1.00 0.00 H new ATOM 0 HA ARG A 36 2.698 -10.783 14.168 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.661 -10.283 16.969 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.657 -10.526 15.554 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.649 -12.629 16.436 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.066 -12.514 17.178 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.630 -14.091 15.553 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.198 -12.637 14.675 1.00 0.00 H new ATOM 0 HE ARG A 36 2.969 -13.088 14.245 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.159 -14.234 13.019 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.606 -15.142 11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.854 -14.172 12.528 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.823 -15.101 11.435 1.00 0.00 H new ATOM 531 N GLY A 37 2.471 -8.432 13.613 1.00 0.00 N ATOM 532 CA GLY A 37 2.134 -7.087 13.097 1.00 0.00 C ATOM 533 C GLY A 37 1.508 -7.121 11.692 1.00 0.00 C ATOM 534 O GLY A 37 0.502 -7.785 11.451 1.00 0.00 O ATOM 0 H GLY A 37 2.654 -9.110 12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.441 -6.603 13.786 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.037 -6.477 13.072 1.00 0.00 H new ATOM 538 N LYS A 38 2.114 -6.342 10.794 1.00 0.00 N ATOM 539 CA LYS A 38 1.657 -6.184 9.398 1.00 0.00 C ATOM 540 C LYS A 38 2.578 -6.775 8.341 1.00 0.00 C ATOM 541 O LYS A 38 3.701 -7.117 8.692 1.00 0.00 O ATOM 542 CB LYS A 38 1.424 -4.674 9.199 1.00 0.00 C ATOM 543 CG LYS A 38 2.684 -3.829 9.406 1.00 0.00 C ATOM 544 CD LYS A 38 2.362 -2.332 9.361 1.00 0.00 C ATOM 545 CE LYS A 38 3.579 -1.478 9.709 1.00 0.00 C ATOM 546 NZ LYS A 38 4.006 -1.693 11.094 1.00 0.00 N ATOM 0 H LYS A 38 2.946 -5.794 11.011 1.00 0.00 H new ATOM 0 HA LYS A 38 0.745 -6.763 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.043 -4.503 8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.653 -4.339 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.138 -4.077 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.417 -4.069 8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.005 -2.067 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.553 -2.113 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.399 -1.718 9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.341 -0.425 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.643 -0.924 11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.173 -1.706 11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.506 -2.602 11.166 1.00 0.00 H new ATOM 560 N VAL A 39 1.924 -7.399 7.372 1.00 0.00 N ATOM 561 CA VAL A 39 2.368 -7.411 5.954 1.00 0.00 C ATOM 562 C VAL A 39 2.112 -6.109 5.178 1.00 0.00 C ATOM 563 O VAL A 39 3.060 -5.539 4.644 1.00 0.00 O ATOM 564 CB VAL A 39 1.823 -8.664 5.259 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.303 -8.802 5.363 1.00 0.00 C ATOM 566 CG2 VAL A 39 2.139 -8.759 3.757 1.00 0.00 C ATOM 0 H VAL A 39 1.062 -7.920 7.532 1.00 0.00 H new ATOM 0 HA VAL A 39 3.457 -7.461 5.959 1.00 0.00 H new ATOM 0 HB VAL A 39 2.338 -9.457 5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.016 -9.709 4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.014 -8.857 6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.173 -7.938 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.713 -9.678 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.709 -7.902 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.219 -8.765 3.612 1.00 0.00 H new ATOM 576 N VAL A 40 0.855 -5.749 4.997 1.00 0.00 N ATOM 577 CA VAL A 40 0.466 -4.655 4.083 1.00 0.00 C ATOM 578 C VAL A 40 0.463 -3.271 4.779 1.00 0.00 C ATOM 579 O VAL A 40 -0.524 -2.826 5.354 1.00 0.00 O ATOM 580 CB VAL A 40 -0.859 -4.923 3.341 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.056 -3.909 2.224 1.00 0.00 C ATOM 582 CG2 VAL A 40 -0.897 -6.290 2.646 1.00 0.00 C ATOM 0 H VAL A 40 0.068 -6.194 5.469 1.00 0.00 H new ATOM 0 HA VAL A 40 1.244 -4.628 3.320 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.628 -4.868 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.996 -4.112 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.082 -2.904 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.231 -3.984 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.856 -6.416 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.092 -6.348 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.770 -7.079 3.387 1.00 0.00 H new ATOM 592 N GLU A 41 1.547 -2.563 4.505 1.00 0.00 N ATOM 593 CA GLU A 41 1.737 -1.138 4.800 1.00 0.00 C ATOM 594 C GLU A 41 1.465 -0.403 3.481 1.00 0.00 C ATOM 595 O GLU A 41 2.347 -0.197 2.635 1.00 0.00 O ATOM 596 CB GLU A 41 3.164 -0.934 5.320 1.00 0.00 C ATOM 597 CG GLU A 41 3.486 0.522 5.711 1.00 0.00 C ATOM 598 CD GLU A 41 4.860 0.695 6.372 1.00 0.00 C ATOM 599 OE1 GLU A 41 5.224 -0.159 7.202 1.00 0.00 O ATOM 600 OE2 GLU A 41 5.514 1.710 6.061 1.00 0.00 O ATOM 0 H GLU A 41 2.360 -2.978 4.050 1.00 0.00 H new ATOM 0 HA GLU A 41 1.069 -0.754 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.319 -1.575 6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.869 -1.258 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.441 1.147 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.717 0.884 6.393 1.00 0.00 H new ATOM 607 N LEU A 42 0.174 -0.344 3.192 1.00 0.00 N ATOM 608 CA LEU A 42 -0.384 0.376 2.033 1.00 0.00 C ATOM 609 C LEU A 42 -0.825 1.784 2.448 1.00 0.00 C ATOM 610 O LEU A 42 -1.261 2.003 3.578 1.00 0.00 O ATOM 611 CB LEU A 42 -1.609 -0.353 1.483 1.00 0.00 C ATOM 612 CG LEU A 42 -1.444 -0.786 0.026 1.00 0.00 C ATOM 613 CD1 LEU A 42 -2.668 -1.617 -0.367 1.00 0.00 C ATOM 614 CD2 LEU A 42 -1.342 0.396 -0.942 1.00 0.00 C ATOM 0 H LEU A 42 -0.538 -0.801 3.761 1.00 0.00 H new ATOM 0 HA LEU A 42 0.393 0.427 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.808 -1.232 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.480 0.298 1.566 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.515 -1.352 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.572 -1.938 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.736 -2.493 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.569 -1.013 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.226 0.024 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.248 0.999 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.479 1.008 -0.679 1.00 0.00 H new ATOM 626 N GLY A 43 -0.455 2.746 1.614 1.00 0.00 N ATOM 627 CA GLY A 43 -0.899 4.143 1.770 1.00 0.00 C ATOM 628 C GLY A 43 0.128 5.128 1.213 1.00 0.00 C ATOM 629 O GLY A 43 1.049 4.737 0.498 1.00 0.00 O ATOM 0 H GLY A 43 0.157 2.592 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.851 4.282 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.071 4.355 2.825 1.00 0.00 H new ATOM 633 N CYS A 44 0.110 6.323 1.797 1.00 0.00 N ATOM 634 CA CYS A 44 0.847 7.486 1.250 1.00 0.00 C ATOM 635 C CYS A 44 1.705 8.244 2.267 1.00 0.00 C ATOM 636 O CYS A 44 1.335 8.382 3.433 1.00 0.00 O ATOM 637 CB CYS A 44 -0.150 8.446 0.628 1.00 0.00 C ATOM 638 SG CYS A 44 -0.819 7.953 -0.997 1.00 0.00 S ATOM 0 H CYS A 44 -0.406 6.524 2.654 1.00 0.00 H new ATOM 0 HA CYS A 44 1.546 7.083 0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.983 8.573 1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.329 9.420 0.523 1.00 0.00 H new ATOM 643 N ALA A 45 2.899 8.619 1.804 1.00 0.00 N ATOM 644 CA ALA A 45 3.874 9.491 2.499 1.00 0.00 C ATOM 645 C ALA A 45 4.731 10.291 1.493 1.00 0.00 C ATOM 646 O ALA A 45 4.319 10.500 0.358 1.00 0.00 O ATOM 647 CB ALA A 45 4.728 8.637 3.447 1.00 0.00 C ATOM 0 H ALA A 45 3.237 8.313 0.892 1.00 0.00 H new ATOM 0 HA ALA A 45 3.339 10.232 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.448 9.274 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.083 8.152 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.260 7.878 2.873 1.00 0.00 H new ATOM 653 N ALA A 46 5.767 10.952 2.022 1.00 0.00 N ATOM 654 CA ALA A 46 6.790 11.653 1.212 1.00 0.00 C ATOM 655 C ALA A 46 7.978 10.801 0.719 1.00 0.00 C ATOM 656 O ALA A 46 8.507 11.043 -0.368 1.00 0.00 O ATOM 657 CB ALA A 46 7.314 12.849 1.992 1.00 0.00 C ATOM 0 H ALA A 46 5.927 11.021 3.027 1.00 0.00 H new ATOM 0 HA ALA A 46 6.268 11.947 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.067 13.368 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.491 13.530 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.759 12.507 2.926 1.00 0.00 H new ATOM 663 N THR A 47 8.348 9.776 1.495 1.00 0.00 N ATOM 664 CA THR A 47 9.619 9.034 1.286 1.00 0.00 C ATOM 665 C THR A 47 9.415 7.513 1.277 1.00 0.00 C ATOM 666 O THR A 47 8.637 6.979 2.067 1.00 0.00 O ATOM 667 CB THR A 47 10.698 9.427 2.318 1.00 0.00 C ATOM 668 OG1 THR A 47 11.890 8.683 2.035 1.00 0.00 O ATOM 669 CG2 THR A 47 10.290 9.229 3.789 1.00 0.00 C ATOM 0 H THR A 47 7.791 9.433 2.278 1.00 0.00 H new ATOM 0 HA THR A 47 9.975 9.326 0.298 1.00 0.00 H new ATOM 0 HB THR A 47 10.855 10.500 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.586 8.923 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.111 9.532 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.412 9.836 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.058 8.179 3.964 1.00 0.00 H new ATOM 677 N CYS A 48 10.139 6.851 0.380 1.00 0.00 N ATOM 678 CA CYS A 48 10.103 5.386 0.241 1.00 0.00 C ATOM 679 C CYS A 48 11.025 4.598 1.200 1.00 0.00 C ATOM 680 O CYS A 48 10.708 3.440 1.492 1.00 0.00 O ATOM 681 CB CYS A 48 10.278 4.968 -1.229 1.00 0.00 C ATOM 682 SG CYS A 48 10.115 3.172 -1.512 1.00 0.00 S ATOM 0 H CYS A 48 10.771 7.310 -0.276 1.00 0.00 H new ATOM 0 HA CYS A 48 9.105 5.095 0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.538 5.490 -1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.260 5.293 -1.574 1.00 0.00 H new ATOM 687 N PRO A 49 12.179 5.130 1.654 1.00 0.00 N ATOM 688 CA PRO A 49 12.892 4.532 2.789 1.00 0.00 C ATOM 689 C PRO A 49 12.126 4.554 4.124 1.00 0.00 C ATOM 690 O PRO A 49 11.931 5.585 4.753 1.00 0.00 O ATOM 691 CB PRO A 49 14.229 5.279 2.859 1.00 0.00 C ATOM 692 CG PRO A 49 14.506 5.548 1.390 1.00 0.00 C ATOM 693 CD PRO A 49 13.123 5.913 0.838 1.00 0.00 C ATOM 0 HA PRO A 49 13.023 3.462 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.154 6.200 3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.012 4.676 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.221 6.360 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.921 4.672 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.931 6.982 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.038 5.660 -0.219 1.00 0.00 H new ATOM 701 N SER A 50 11.347 3.481 4.240 1.00 0.00 N ATOM 702 CA SER A 50 10.731 2.883 5.439 1.00 0.00 C ATOM 703 C SER A 50 10.282 1.458 5.067 1.00 0.00 C ATOM 704 O SER A 50 9.972 1.204 3.907 1.00 0.00 O ATOM 705 CB SER A 50 9.504 3.655 5.949 1.00 0.00 C ATOM 706 OG SER A 50 9.965 4.811 6.652 1.00 0.00 O ATOM 0 H SER A 50 11.100 2.945 3.408 1.00 0.00 H new ATOM 0 HA SER A 50 11.473 2.902 6.237 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.865 3.947 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.904 3.025 6.606 1.00 0.00 H new ATOM 0 HG SER A 50 10.681 5.242 6.140 1.00 0.00 H new ATOM 712 N LYS A 51 10.509 0.516 5.995 1.00 0.00 N ATOM 713 CA LYS A 51 10.317 -0.942 5.782 1.00 0.00 C ATOM 714 C LYS A 51 10.997 -1.547 4.535 1.00 0.00 C ATOM 715 O LYS A 51 10.781 -2.711 4.193 1.00 0.00 O ATOM 716 CB LYS A 51 8.825 -1.321 5.846 1.00 0.00 C ATOM 717 CG LYS A 51 8.259 -1.441 7.259 1.00 0.00 C ATOM 718 CD LYS A 51 8.520 -2.814 7.894 1.00 0.00 C ATOM 719 CE LYS A 51 7.622 -3.048 9.111 1.00 0.00 C ATOM 720 NZ LYS A 51 7.737 -4.447 9.564 1.00 0.00 N ATOM 0 H LYS A 51 10.837 0.742 6.934 1.00 0.00 H new ATOM 0 HA LYS A 51 10.850 -1.401 6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.250 -0.572 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.682 -2.270 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.698 -0.666 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.185 -1.258 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.346 -3.597 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.566 -2.885 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.906 -2.372 9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.586 -2.824 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.816 -4.920 9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.442 -4.943 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.034 -4.466 10.560 1.00 0.00 H new ATOM 734 N LYS A 52 12.093 -0.892 4.162 1.00 0.00 N ATOM 735 CA LYS A 52 12.941 -1.221 2.993 1.00 0.00 C ATOM 736 C LYS A 52 13.583 -2.628 2.872 1.00 0.00 C ATOM 737 O LYS A 52 13.895 -3.007 1.748 1.00 0.00 O ATOM 738 CB LYS A 52 13.929 -0.083 2.668 1.00 0.00 C ATOM 739 CG LYS A 52 14.911 0.331 3.769 1.00 0.00 C ATOM 740 CD LYS A 52 14.298 1.205 4.874 1.00 0.00 C ATOM 741 CE LYS A 52 15.352 1.584 5.902 1.00 0.00 C ATOM 742 NZ LYS A 52 14.782 2.457 6.944 1.00 0.00 N ATOM 0 H LYS A 52 12.439 -0.083 4.679 1.00 0.00 H new ATOM 0 HA LYS A 52 12.187 -1.304 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.508 -0.379 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.350 0.796 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.328 -0.568 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.741 0.872 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.868 2.106 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.484 0.668 5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.759 0.683 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.180 2.093 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.521 2.702 7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.415 3.326 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.007 1.960 7.428 1.00 0.00 H new ATOM 756 N PRO A 53 13.782 -3.419 3.957 1.00 0.00 N ATOM 757 CA PRO A 53 14.192 -4.831 3.818 1.00 0.00 C ATOM 758 C PRO A 53 13.044 -5.820 3.563 1.00 0.00 C ATOM 759 O PRO A 53 13.267 -6.947 3.110 1.00 0.00 O ATOM 760 CB PRO A 53 14.854 -5.217 5.144 1.00 0.00 C ATOM 761 CG PRO A 53 15.168 -3.881 5.820 1.00 0.00 C ATOM 762 CD PRO A 53 14.036 -2.966 5.336 1.00 0.00 C ATOM 0 HA PRO A 53 14.843 -4.897 2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.189 -5.825 5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.760 -5.801 4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.175 -3.972 6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.146 -3.501 5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.147 -3.065 5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.330 -1.917 5.365 1.00 0.00 H new ATOM 770 N TYR A 54 11.816 -5.410 3.865 1.00 0.00 N ATOM 771 CA TYR A 54 10.673 -6.330 3.917 1.00 0.00 C ATOM 772 C TYR A 54 9.927 -6.569 2.606 1.00 0.00 C ATOM 773 O TYR A 54 8.915 -5.961 2.258 1.00 0.00 O ATOM 774 CB TYR A 54 9.760 -5.945 5.083 1.00 0.00 C ATOM 775 CG TYR A 54 9.928 -6.837 6.323 1.00 0.00 C ATOM 776 CD1 TYR A 54 9.965 -8.248 6.201 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.901 -6.201 7.577 1.00 0.00 C ATOM 778 CE1 TYR A 54 9.964 -9.041 7.370 1.00 0.00 C ATOM 779 CE2 TYR A 54 9.912 -6.987 8.749 1.00 0.00 C ATOM 780 CZ TYR A 54 9.937 -8.392 8.631 1.00 0.00 C ATOM 781 OH TYR A 54 10.000 -9.104 9.780 1.00 0.00 O ATOM 0 H TYR A 54 11.581 -4.441 4.080 1.00 0.00 H new ATOM 0 HA TYR A 54 11.093 -7.319 4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.959 -4.910 5.362 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.723 -5.992 4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.994 -8.712 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.872 -5.123 7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.983 -10.119 7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.901 -6.519 9.722 1.00 0.00 H new ATOM 0 HH TYR A 54 9.195 -9.655 9.868 1.00 0.00 H new ATOM 791 N GLU A 55 10.547 -7.499 1.881 1.00 0.00 N ATOM 792 CA GLU A 55 10.076 -8.137 0.620 1.00 0.00 C ATOM 793 C GLU A 55 9.715 -7.139 -0.496 1.00 0.00 C ATOM 794 O GLU A 55 10.603 -6.557 -1.114 1.00 0.00 O ATOM 795 CB GLU A 55 9.042 -9.218 0.928 1.00 0.00 C ATOM 796 CG GLU A 55 9.694 -10.408 1.649 1.00 0.00 C ATOM 797 CD GLU A 55 8.677 -11.305 2.347 1.00 0.00 C ATOM 798 OE1 GLU A 55 7.780 -11.834 1.646 1.00 0.00 O ATOM 799 OE2 GLU A 55 8.787 -11.416 3.591 1.00 0.00 O ATOM 0 H GLU A 55 11.456 -7.862 2.166 1.00 0.00 H new ATOM 0 HA GLU A 55 10.917 -8.658 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.248 -8.802 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.578 -9.558 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.258 -10.999 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.408 -10.035 2.384 1.00 0.00 H new ATOM 806 N GLU A 56 8.419 -6.892 -0.703 1.00 0.00 N ATOM 807 CA GLU A 56 7.923 -6.062 -1.814 1.00 0.00 C ATOM 808 C GLU A 56 7.730 -4.619 -1.330 1.00 0.00 C ATOM 809 O GLU A 56 6.703 -4.265 -0.744 1.00 0.00 O ATOM 810 CB GLU A 56 6.635 -6.642 -2.392 1.00 0.00 C ATOM 811 CG GLU A 56 6.873 -8.027 -3.010 1.00 0.00 C ATOM 812 CD GLU A 56 5.571 -8.708 -3.448 1.00 0.00 C ATOM 813 OE1 GLU A 56 4.672 -8.858 -2.586 1.00 0.00 O ATOM 814 OE2 GLU A 56 5.545 -9.159 -4.615 1.00 0.00 O ATOM 0 H GLU A 56 7.679 -7.261 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 56 8.659 -6.059 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.883 -6.717 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.238 -5.967 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.534 -7.928 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.385 -8.661 -2.286 1.00 0.00 H new ATOM 821 N VAL A 57 8.851 -3.920 -1.334 1.00 0.00 N ATOM 822 CA VAL A 57 8.914 -2.476 -1.026 1.00 0.00 C ATOM 823 C VAL A 57 8.820 -1.702 -2.362 1.00 0.00 C ATOM 824 O VAL A 57 9.794 -1.311 -2.996 1.00 0.00 O ATOM 825 CB VAL A 57 10.155 -2.129 -0.188 1.00 0.00 C ATOM 826 CG1 VAL A 57 10.144 -0.659 0.240 1.00 0.00 C ATOM 827 CG2 VAL A 57 10.217 -2.987 1.077 1.00 0.00 C ATOM 0 H VAL A 57 9.760 -4.329 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 57 8.075 -2.177 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 57 11.023 -2.324 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.035 -0.445 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.134 -0.022 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.255 -0.461 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.104 -2.723 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.327 -2.810 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.265 -4.040 0.800 1.00 0.00 H new ATOM 837 N THR A 58 7.577 -1.714 -2.810 1.00 0.00 N ATOM 838 CA THR A 58 7.097 -1.264 -4.127 1.00 0.00 C ATOM 839 C THR A 58 6.245 0.017 -4.035 1.00 0.00 C ATOM 840 O THR A 58 5.016 0.034 -4.100 1.00 0.00 O ATOM 841 CB THR A 58 6.343 -2.437 -4.775 1.00 0.00 C ATOM 842 OG1 THR A 58 5.920 -3.367 -3.768 1.00 0.00 O ATOM 843 CG2 THR A 58 7.229 -3.149 -5.796 1.00 0.00 C ATOM 0 H THR A 58 6.813 -2.061 -2.230 1.00 0.00 H new ATOM 0 HA THR A 58 7.943 -0.984 -4.755 1.00 0.00 H new ATOM 0 HB THR A 58 5.467 -2.040 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.796 -4.252 -4.171 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.677 -3.976 -6.243 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.524 -2.446 -6.575 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.120 -3.534 -5.299 1.00 0.00 H new ATOM 851 N CYS A 59 7.001 1.106 -4.166 1.00 0.00 N ATOM 852 CA CYS A 59 6.538 2.491 -3.955 1.00 0.00 C ATOM 853 C CYS A 59 6.495 3.285 -5.268 1.00 0.00 C ATOM 854 O CYS A 59 7.516 3.485 -5.932 1.00 0.00 O ATOM 855 CB CYS A 59 7.471 3.140 -2.912 1.00 0.00 C ATOM 856 SG CYS A 59 9.246 3.104 -3.352 1.00 0.00 S ATOM 0 H CYS A 59 7.985 1.055 -4.430 1.00 0.00 H new ATOM 0 HA CYS A 59 5.513 2.492 -3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.167 4.177 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.336 2.632 -1.957 1.00 0.00 H new ATOM 861 N CYS A 60 5.303 3.783 -5.583 1.00 0.00 N ATOM 862 CA CYS A 60 4.951 4.367 -6.883 1.00 0.00 C ATOM 863 C CYS A 60 4.566 5.859 -6.824 1.00 0.00 C ATOM 864 O CYS A 60 4.161 6.401 -5.802 1.00 0.00 O ATOM 865 CB CYS A 60 3.847 3.493 -7.477 1.00 0.00 C ATOM 866 SG CYS A 60 3.651 3.607 -9.293 1.00 0.00 S ATOM 0 H CYS A 60 4.526 3.794 -4.922 1.00 0.00 H new ATOM 0 HA CYS A 60 5.831 4.370 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.048 2.454 -7.214 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.901 3.763 -7.008 1.00 0.00 H new ATOM 871 N SER A 61 4.694 6.458 -8.003 1.00 0.00 N ATOM 872 CA SER A 61 4.603 7.903 -8.247 1.00 0.00 C ATOM 873 C SER A 61 3.249 8.396 -8.771 1.00 0.00 C ATOM 874 O SER A 61 2.871 8.190 -9.932 1.00 0.00 O ATOM 875 CB SER A 61 5.703 8.284 -9.241 1.00 0.00 C ATOM 876 OG SER A 61 5.619 7.440 -10.396 1.00 0.00 O ATOM 0 H SER A 61 4.872 5.930 -8.857 1.00 0.00 H new ATOM 0 HA SER A 61 4.723 8.389 -7.279 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.598 9.329 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.682 8.181 -8.773 1.00 0.00 H new ATOM 0 HG SER A 61 4.686 7.379 -10.689 1.00 0.00 H new ATOM 882 N THR A 62 2.518 9.003 -7.843 1.00 0.00 N ATOM 883 CA THR A 62 1.318 9.868 -8.070 1.00 0.00 C ATOM 884 C THR A 62 0.056 9.112 -8.486 1.00 0.00 C ATOM 885 O THR A 62 -0.997 9.255 -7.859 1.00 0.00 O ATOM 886 CB THR A 62 1.711 11.044 -8.982 1.00 0.00 C ATOM 887 OG1 THR A 62 2.626 11.869 -8.257 1.00 0.00 O ATOM 888 CG2 THR A 62 0.560 11.895 -9.528 1.00 0.00 C ATOM 0 H THR A 62 2.741 8.914 -6.852 1.00 0.00 H new ATOM 0 HA THR A 62 1.006 10.283 -7.111 1.00 0.00 H new ATOM 0 HB THR A 62 2.151 10.601 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.896 12.628 -8.816 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.962 12.691 -10.156 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.107 11.268 -10.119 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.006 12.333 -8.698 1.00 0.00 H new ATOM 896 N ASP A 63 0.076 8.608 -9.705 1.00 0.00 N ATOM 897 CA ASP A 63 -1.015 7.817 -10.305 1.00 0.00 C ATOM 898 C ASP A 63 -1.366 6.566 -9.495 1.00 0.00 C ATOM 899 O ASP A 63 -0.494 5.984 -8.868 1.00 0.00 O ATOM 900 CB ASP A 63 -0.666 7.416 -11.749 1.00 0.00 C ATOM 901 CG ASP A 63 0.603 6.553 -11.875 1.00 0.00 C ATOM 902 OD1 ASP A 63 0.460 5.315 -11.724 1.00 0.00 O ATOM 903 OD2 ASP A 63 1.664 7.140 -12.143 1.00 0.00 O ATOM 0 H ASP A 63 0.869 8.734 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.894 8.462 -10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.507 6.870 -12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.538 8.320 -12.344 1.00 0.00 H new ATOM 908 N LYS A 64 -2.670 6.291 -9.436 1.00 0.00 N ATOM 909 CA LYS A 64 -3.300 5.047 -8.919 1.00 0.00 C ATOM 910 C LYS A 64 -2.670 3.745 -9.455 1.00 0.00 C ATOM 911 O LYS A 64 -3.232 2.993 -10.234 1.00 0.00 O ATOM 912 CB LYS A 64 -4.820 5.118 -9.152 1.00 0.00 C ATOM 913 CG LYS A 64 -5.237 5.636 -10.541 1.00 0.00 C ATOM 914 CD LYS A 64 -6.754 5.616 -10.781 1.00 0.00 C ATOM 915 CE LYS A 64 -7.589 6.526 -9.856 1.00 0.00 C ATOM 916 NZ LYS A 64 -7.281 7.938 -10.072 1.00 0.00 N ATOM 0 H LYS A 64 -3.366 6.961 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.103 4.998 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.242 4.123 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.260 5.763 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.873 6.656 -10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.750 5.031 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.944 5.907 -11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.108 4.591 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.650 6.353 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.395 6.265 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.951 8.525 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.312 8.135 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.360 8.160 -11.085 1.00 0.00 H new ATOM 930 N CYS A 65 -1.570 3.411 -8.772 1.00 0.00 N ATOM 931 CA CYS A 65 -0.611 2.384 -9.212 1.00 0.00 C ATOM 932 C CYS A 65 -0.557 1.186 -8.247 1.00 0.00 C ATOM 933 O CYS A 65 -1.533 0.441 -8.168 1.00 0.00 O ATOM 934 CB CYS A 65 0.717 3.139 -9.378 1.00 0.00 C ATOM 935 SG CYS A 65 2.239 2.179 -9.677 1.00 0.00 S ATOM 0 H CYS A 65 -1.315 3.850 -7.887 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.896 1.912 -10.152 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.599 3.838 -10.206 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.873 3.735 -8.479 1.00 0.00 H new ATOM 940 N ASN A 66 0.313 1.319 -7.247 1.00 0.00 N ATOM 941 CA ASN A 66 0.820 0.297 -6.305 1.00 0.00 C ATOM 942 C ASN A 66 -0.262 -0.535 -5.579 1.00 0.00 C ATOM 943 O ASN A 66 -0.546 -0.307 -4.406 1.00 0.00 O ATOM 944 CB ASN A 66 1.770 1.033 -5.324 1.00 0.00 C ATOM 945 CG ASN A 66 1.219 2.336 -4.714 1.00 0.00 C ATOM 946 OD1 ASN A 66 0.991 3.319 -5.406 1.00 0.00 O ATOM 947 ND2 ASN A 66 0.816 2.308 -3.471 1.00 0.00 N ATOM 0 H ASN A 66 0.726 2.230 -7.049 1.00 0.00 H new ATOM 0 HA ASN A 66 1.346 -0.470 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.023 0.352 -4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.698 1.262 -5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.313 3.104 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.005 1.490 -2.892 1.00 0.00 H new ATOM 954 N PRO A 67 -0.733 -1.616 -6.224 1.00 0.00 N ATOM 955 CA PRO A 67 -2.022 -2.252 -5.886 1.00 0.00 C ATOM 956 C PRO A 67 -2.133 -3.097 -4.611 1.00 0.00 C ATOM 957 O PRO A 67 -3.156 -3.064 -3.940 1.00 0.00 O ATOM 958 CB PRO A 67 -2.347 -3.046 -7.154 1.00 0.00 C ATOM 959 CG PRO A 67 -0.982 -3.533 -7.636 1.00 0.00 C ATOM 960 CD PRO A 67 -0.060 -2.347 -7.330 1.00 0.00 C ATOM 0 HA PRO A 67 -2.737 -1.476 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.018 -3.879 -6.944 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.837 -2.423 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.667 -4.434 -7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.992 -3.772 -8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.933 -2.685 -7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.068 -1.710 -8.205 1.00 0.00 H new ATOM 968 N HIS A 68 -1.022 -3.760 -4.284 1.00 0.00 N ATOM 969 CA HIS A 68 -0.879 -4.836 -3.276 1.00 0.00 C ATOM 970 C HIS A 68 -1.183 -6.252 -3.824 1.00 0.00 C ATOM 971 O HIS A 68 -0.214 -6.997 -3.929 1.00 0.00 O ATOM 972 CB HIS A 68 -1.376 -4.486 -1.856 1.00 0.00 C ATOM 973 CG HIS A 68 -1.790 -5.666 -0.951 1.00 0.00 C ATOM 974 ND1 HIS A 68 -1.342 -6.914 -1.039 1.00 0.00 N ATOM 975 CD2 HIS A 68 -2.875 -5.712 -0.168 1.00 0.00 C ATOM 976 CE1 HIS A 68 -2.157 -7.722 -0.381 1.00 0.00 C ATOM 977 NE2 HIS A 68 -3.100 -6.970 0.166 1.00 0.00 N ATOM 0 H HIS A 68 -0.134 -3.553 -4.741 1.00 0.00 H new ATOM 0 HA HIS A 68 0.190 -4.903 -3.076 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.588 -3.929 -1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.230 -3.815 -1.951 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.500 -7.204 -1.537 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.467 -4.863 0.139 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.070 -8.796 -0.304 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.869 -7.305 0.746 1.00 0.00 H new ATOM 985 N PRO A 69 -2.430 -6.628 -4.194 1.00 0.00 N ATOM 986 CA PRO A 69 -2.704 -7.844 -4.985 1.00 0.00 C ATOM 987 C PRO A 69 -1.819 -7.986 -6.226 1.00 0.00 C ATOM 988 O PRO A 69 -1.926 -7.244 -7.199 1.00 0.00 O ATOM 989 CB PRO A 69 -4.202 -7.785 -5.318 1.00 0.00 C ATOM 990 CG PRO A 69 -4.701 -6.471 -4.715 1.00 0.00 C ATOM 991 CD PRO A 69 -3.707 -6.230 -3.585 1.00 0.00 C ATOM 0 HA PRO A 69 -2.458 -8.739 -4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.366 -7.810 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.732 -8.638 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.692 -5.660 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.723 -6.556 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -3.698 -5.187 -3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.941 -6.829 -2.705 1.00 0.00 H new ATOM 999 N LYS A 70 -0.804 -8.809 -6.019 1.00 0.00 N ATOM 1000 CA LYS A 70 0.207 -9.166 -7.021 1.00 0.00 C ATOM 1001 C LYS A 70 -0.279 -10.189 -8.051 1.00 0.00 C ATOM 1002 O LYS A 70 -0.977 -11.142 -7.736 1.00 0.00 O ATOM 1003 CB LYS A 70 1.509 -9.636 -6.355 1.00 0.00 C ATOM 1004 CG LYS A 70 1.335 -10.719 -5.282 1.00 0.00 C ATOM 1005 CD LYS A 70 2.659 -11.265 -4.748 1.00 0.00 C ATOM 1006 CE LYS A 70 3.322 -12.251 -5.709 1.00 0.00 C ATOM 1007 NZ LYS A 70 4.527 -12.813 -5.076 1.00 0.00 N ATOM 0 H LYS A 70 -0.649 -9.266 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 70 0.406 -8.250 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.178 -10.015 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.000 -8.774 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.759 -10.309 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.753 -11.541 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.340 -10.435 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.484 -11.758 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.626 -13.050 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.587 -11.748 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.980 -13.485 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.192 -12.045 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.261 -13.307 -4.200 1.00 0.00 H new ATOM 1021 N GLN A 71 0.023 -9.837 -9.293 1.00 0.00 N ATOM 1022 CA GLN A 71 -0.210 -10.668 -10.487 1.00 0.00 C ATOM 1023 C GLN A 71 0.706 -11.909 -10.548 1.00 0.00 C ATOM 1024 O GLN A 71 1.802 -11.911 -9.990 1.00 0.00 O ATOM 1025 CB GLN A 71 0.039 -9.851 -11.755 1.00 0.00 C ATOM 1026 CG GLN A 71 -1.206 -9.047 -12.157 1.00 0.00 C ATOM 1027 CD GLN A 71 -1.380 -9.096 -13.681 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -1.649 -10.128 -14.269 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -1.134 -7.988 -14.347 1.00 0.00 N ATOM 0 H GLN A 71 0.451 -8.938 -9.514 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.246 -11.002 -10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.876 -9.172 -11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.322 -10.518 -12.570 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.089 -9.456 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.107 -8.014 -11.825 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.910 -7.130 -13.844 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.168 -7.988 -15.366 1.00 0.00 H new ATOM 1038 N ARG A 72 0.244 -12.902 -11.306 1.00 0.00 N ATOM 1039 CA ARG A 72 1.080 -14.068 -11.657 1.00 0.00 C ATOM 1040 C ARG A 72 2.429 -13.682 -12.317 1.00 0.00 C ATOM 1041 O ARG A 72 3.448 -14.213 -11.872 1.00 0.00 O ATOM 1042 CB ARG A 72 0.306 -15.139 -12.446 1.00 0.00 C ATOM 1043 CG ARG A 72 -0.925 -15.669 -11.705 1.00 0.00 C ATOM 1044 CD ARG A 72 -0.589 -16.260 -10.328 1.00 0.00 C ATOM 1045 NE ARG A 72 -1.559 -15.705 -9.356 1.00 0.00 N ATOM 1046 CZ ARG A 72 -1.383 -14.608 -8.612 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -0.196 -14.072 -8.388 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -2.403 -14.139 -7.910 1.00 0.00 N ATOM 0 H ARG A 72 -0.700 -12.931 -11.692 1.00 0.00 H new ATOM 0 HA ARG A 72 1.349 -14.532 -10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.007 -14.720 -13.402 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.974 -15.971 -12.666 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.644 -14.859 -11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.408 -16.433 -12.314 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.651 -17.348 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.431 -16.005 -10.040 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.441 -16.205 -9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.639 -14.497 -8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.115 -13.234 -7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.305 -14.613 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.286 -13.303 -7.337 1.00 0.00 H new ATOM 1062 N PRO A 73 2.481 -12.700 -13.235 1.00 0.00 N ATOM 1063 CA PRO A 73 3.754 -12.034 -13.569 1.00 0.00 C ATOM 1064 C PRO A 73 4.031 -10.853 -12.614 1.00 0.00 C ATOM 1065 O PRO A 73 3.694 -9.702 -12.902 1.00 0.00 O ATOM 1066 CB PRO A 73 3.610 -11.615 -15.031 1.00 0.00 C ATOM 1067 CG PRO A 73 2.118 -11.369 -15.186 1.00 0.00 C ATOM 1068 CD PRO A 73 1.479 -12.436 -14.298 1.00 0.00 C ATOM 0 HA PRO A 73 4.618 -12.687 -13.445 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.189 -10.718 -15.250 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.961 -12.394 -15.708 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.843 -10.364 -14.865 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.801 -11.470 -16.224 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.538 -12.086 -13.875 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.257 -13.340 -14.865 1.00 0.00 H new ATOM 1076 N GLY A 74 4.504 -11.202 -11.421 1.00 0.00 N ATOM 1077 CA GLY A 74 4.941 -10.220 -10.405 1.00 0.00 C ATOM 1078 C GLY A 74 3.802 -9.678 -9.514 1.00 0.00 C ATOM 1079 O GLY A 74 2.911 -8.987 -10.045 1.00 0.00 O ATOM 0 H GLY A 74 4.599 -12.172 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.695 -10.684 -9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.422 -9.382 -10.910 1.00 0.00 H new TER 1083 GLY A 74 ATOM 1084 N LYS B 75 0.731 2.502 5.695 1.00 0.00 N ATOM 1085 CA LYS B 75 0.143 2.477 7.061 1.00 0.00 C ATOM 1086 C LYS B 75 -1.334 2.060 7.169 1.00 0.00 C ATOM 1087 O LYS B 75 -1.746 1.412 8.134 1.00 0.00 O ATOM 1088 CB LYS B 75 0.278 3.872 7.667 1.00 0.00 C ATOM 1089 CG LYS B 75 1.734 4.210 7.984 1.00 0.00 C ATOM 1090 CD LYS B 75 1.964 5.714 7.839 1.00 0.00 C ATOM 1091 CE LYS B 75 3.434 6.067 8.063 1.00 0.00 C ATOM 1092 NZ LYS B 75 3.701 6.147 9.507 1.00 0.00 N ATOM 0 HA LYS B 75 0.701 1.704 7.590 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -0.125 4.611 6.974 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -0.317 3.932 8.578 1.00 0.00 H new ATOM 0 HG2 LYS B 75 1.977 3.892 8.998 1.00 0.00 H new ATOM 0 HG3 LYS B 75 2.397 3.666 7.312 1.00 0.00 H new ATOM 0 HD2 LYS B 75 1.656 6.039 6.845 1.00 0.00 H new ATOM 0 HD3 LYS B 75 1.344 6.251 8.556 1.00 0.00 H new ATOM 0 HE2 LYS B 75 4.075 5.314 7.604 1.00 0.00 H new ATOM 0 HE3 LYS B 75 3.668 7.018 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 4.701 6.387 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 3.099 6.881 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 3.493 5.229 9.950 1.00 0.00 H new ATOM 1108 N HIS B 76 -2.106 2.488 6.185 1.00 0.00 N ATOM 1109 CA HIS B 76 -3.566 2.395 6.167 1.00 0.00 C ATOM 1110 C HIS B 76 -4.044 1.026 5.671 1.00 0.00 C ATOM 1111 O HIS B 76 -3.731 0.596 4.568 1.00 0.00 O ATOM 1112 CB HIS B 76 -4.158 3.496 5.276 1.00 0.00 C ATOM 1113 CG HIS B 76 -3.755 4.911 5.713 1.00 0.00 C ATOM 1114 ND1 HIS B 76 -4.388 5.677 6.592 1.00 0.00 N ATOM 1115 CD2 HIS B 76 -2.645 5.540 5.344 1.00 0.00 C ATOM 1116 CE1 HIS B 76 -3.659 6.772 6.780 1.00 0.00 C ATOM 1117 NE2 HIS B 76 -2.565 6.679 6.023 1.00 0.00 N ATOM 0 H HIS B 76 -1.726 2.926 5.346 1.00 0.00 H new ATOM 0 HA HIS B 76 -3.911 2.524 7.193 1.00 0.00 H new ATOM 0 HB2 HIS B 76 -3.835 3.335 4.248 1.00 0.00 H new ATOM 0 HB3 HIS B 76 -5.245 3.416 5.285 1.00 0.00 H new ATOM 0 HD2 HIS B 76 -1.930 5.186 4.616 1.00 0.00 H new ATOM 0 HE1 HIS B 76 -3.909 7.595 7.433 1.00 0.00 H new ATOM 0 HE2 HIS B 76 -1.806 7.358 5.974 1.00 0.00 H new ATOM 1125 N TRP B 77 -4.791 0.416 6.595 1.00 0.00 N ATOM 1126 CA TRP B 77 -5.494 -0.878 6.440 1.00 0.00 C ATOM 1127 C TRP B 77 -4.635 -2.053 5.964 1.00 0.00 C ATOM 1128 O TRP B 77 -4.373 -2.223 4.770 1.00 0.00 O ATOM 1129 CB TRP B 77 -6.741 -0.696 5.557 1.00 0.00 C ATOM 1130 CG TRP B 77 -7.873 0.083 6.227 1.00 0.00 C ATOM 1131 CD1 TRP B 77 -7.830 1.331 6.686 1.00 0.00 C ATOM 1132 CD2 TRP B 77 -9.215 -0.289 6.197 1.00 0.00 C ATOM 1133 NE1 TRP B 77 -9.065 1.789 6.910 1.00 0.00 N ATOM 1134 CE2 TRP B 77 -9.948 0.830 6.641 1.00 0.00 C ATOM 1135 CE3 TRP B 77 -9.870 -1.475 5.810 1.00 0.00 C ATOM 1136 CZ2 TRP B 77 -11.348 0.781 6.709 1.00 0.00 C ATOM 1137 CZ3 TRP B 77 -11.279 -1.522 5.874 1.00 0.00 C ATOM 1138 CH2 TRP B 77 -12.012 -0.403 6.318 1.00 0.00 C ATOM 0 H TRP B 77 -4.934 0.824 7.519 1.00 0.00 H new ATOM 0 HA TRP B 77 -5.786 -1.169 7.449 1.00 0.00 H new ATOM 0 HB2 TRP B 77 -6.452 -0.180 4.641 1.00 0.00 H new ATOM 0 HB3 TRP B 77 -7.113 -1.678 5.266 1.00 0.00 H new ATOM 0 HD1 TRP B 77 -6.924 1.895 6.854 1.00 0.00 H new ATOM 0 HE1 TRP B 77 -9.295 2.728 7.236 1.00 0.00 H new ATOM 0 HE3 TRP B 77 -9.305 -2.331 5.471 1.00 0.00 H new ATOM 0 HZ2 TRP B 77 -11.910 1.636 7.055 1.00 0.00 H new ATOM 0 HZ3 TRP B 77 -11.799 -2.422 5.581 1.00 0.00 H new ATOM 0 HH2 TRP B 77 -13.090 -0.451 6.360 1.00 0.00 H new ATOM 1149 N VAL B 78 -4.243 -2.900 6.905 1.00 0.00 N ATOM 1150 CA VAL B 78 -3.446 -4.108 6.590 1.00 0.00 C ATOM 1151 C VAL B 78 -4.307 -5.250 5.992 1.00 0.00 C ATOM 1152 O VAL B 78 -4.717 -6.211 6.649 1.00 0.00 O ATOM 1153 CB VAL B 78 -2.536 -4.503 7.774 1.00 0.00 C ATOM 1154 CG1 VAL B 78 -3.274 -4.972 9.034 1.00 0.00 C ATOM 1155 CG2 VAL B 78 -1.519 -5.555 7.320 1.00 0.00 C ATOM 0 H VAL B 78 -4.457 -2.785 7.896 1.00 0.00 H new ATOM 0 HA VAL B 78 -2.758 -3.867 5.780 1.00 0.00 H new ATOM 0 HB VAL B 78 -2.030 -3.586 8.074 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -2.549 -5.226 9.807 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -3.923 -4.174 9.394 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -3.875 -5.850 8.798 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -0.880 -5.829 8.159 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -2.046 -6.439 6.961 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -0.907 -5.146 6.516 1.00 0.00 H new ATOM 1165 N TYR B 79 -4.577 -5.091 4.701 1.00 0.00 N ATOM 1166 CA TYR B 79 -5.439 -6.006 3.919 1.00 0.00 C ATOM 1167 C TYR B 79 -4.788 -7.358 3.641 1.00 0.00 C ATOM 1168 O TYR B 79 -3.966 -7.510 2.735 1.00 0.00 O ATOM 1169 CB TYR B 79 -5.859 -5.396 2.582 1.00 0.00 C ATOM 1170 CG TYR B 79 -6.433 -3.975 2.644 1.00 0.00 C ATOM 1171 CD1 TYR B 79 -7.812 -3.771 2.869 1.00 0.00 C ATOM 1172 CD2 TYR B 79 -5.598 -2.956 2.148 1.00 0.00 C ATOM 1173 CE1 TYR B 79 -8.371 -2.522 2.549 1.00 0.00 C ATOM 1174 CE2 TYR B 79 -6.168 -1.715 1.826 1.00 0.00 C ATOM 1175 CZ TYR B 79 -7.545 -1.515 1.997 1.00 0.00 C ATOM 1176 OH TYR B 79 -8.109 -0.511 1.281 1.00 0.00 O ATOM 0 H TYR B 79 -4.205 -4.317 4.150 1.00 0.00 H new ATOM 0 HA TYR B 79 -6.314 -6.162 4.549 1.00 0.00 H new ATOM 0 HB2 TYR B 79 -4.993 -5.388 1.920 1.00 0.00 H new ATOM 0 HB3 TYR B 79 -6.604 -6.048 2.125 1.00 0.00 H new ATOM 0 HD1 TYR B 79 -8.425 -4.560 3.279 1.00 0.00 H new ATOM 0 HD2 TYR B 79 -4.539 -3.126 2.018 1.00 0.00 H new ATOM 0 HE1 TYR B 79 -9.420 -2.333 2.723 1.00 0.00 H new ATOM 0 HE2 TYR B 79 -5.548 -0.916 1.447 1.00 0.00 H new ATOM 0 HH TYR B 79 -8.784 -0.058 1.828 1.00 0.00 H new ATOM 1186 N TYR B 80 -5.067 -8.308 4.527 1.00 0.00 N ATOM 1187 CA TYR B 80 -4.730 -9.733 4.320 1.00 0.00 C ATOM 1188 C TYR B 80 -5.670 -10.705 5.054 1.00 0.00 C ATOM 1189 O TYR B 80 -6.224 -10.279 6.089 1.00 0.00 O ATOM 1190 CB TYR B 80 -3.264 -9.990 4.687 1.00 0.00 C ATOM 1191 CG TYR B 80 -2.995 -10.092 6.195 1.00 0.00 C ATOM 1192 CD1 TYR B 80 -2.856 -8.903 6.944 1.00 0.00 C ATOM 1193 CD2 TYR B 80 -2.834 -11.362 6.784 1.00 0.00 C ATOM 1194 CE1 TYR B 80 -2.515 -8.991 8.313 1.00 0.00 C ATOM 1195 CE2 TYR B 80 -2.502 -11.448 8.149 1.00 0.00 C ATOM 1196 CZ TYR B 80 -2.327 -10.263 8.891 1.00 0.00 C ATOM 1197 OH TYR B 80 -1.823 -10.333 10.143 1.00 0.00 O ATOM 0 H TYR B 80 -5.534 -8.123 5.415 1.00 0.00 H new ATOM 0 HA TYR B 80 -4.876 -9.936 3.259 1.00 0.00 H new ATOM 0 HB2 TYR B 80 -2.939 -10.914 4.209 1.00 0.00 H new ATOM 0 HB3 TYR B 80 -2.653 -9.187 4.275 1.00 0.00 H new ATOM 0 HD1 TYR B 80 -3.008 -7.941 6.478 1.00 0.00 H new ATOM 0 HD2 TYR B 80 -2.964 -12.258 6.195 1.00 0.00 H new ATOM 0 HE1 TYR B 80 -2.400 -8.097 8.908 1.00 0.00 H new ATOM 0 HE2 TYR B 80 -2.383 -12.411 8.622 1.00 0.00 H new ATOM 0 HH TYR B 80 -1.748 -11.272 10.414 1.00 0.00 H new TER 1207 TYR B 80