USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 119:sc= 1.36 USER MOD Set 1.2: A 40 HIS : no HE2:sc= 0.215 K(o=1.6,f=-7!) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.749 (180deg=-0.444) USER MOD Single : A 2 SER OG : rot 51:sc= 0.0471 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 10 TYR OH : rot -156:sc= 1.2 USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.0813 USER MOD Single : A 16 HIS : no HD1:sc= -6.58! C(o=-6.6!,f=-8.5!) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0408) USER MOD Single : A 26 GLN : amide:sc= -7.87! C(o=-7.9!,f=-13!) USER MOD Single : A 29 ASN : amide:sc= -0.688 K(o=-0.69,f=-0.00067) USER MOD Single : A 35 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.3) USER MOD Single : A 41 THR OG1 : rot -71:sc= 1.64 USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= -0.0629 (180deg=-0.346) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc=-0.00364 (180deg=-0.0895) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0765) USER MOD Single : A 46 SER OG : rot 40:sc= 0.144 USER MOD Single : A 50 ASN : amide:sc= -7.68! C(o=-7.7!,f=-3.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -10.2! C(o=-10!,f=-5.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -9:sc= 1.02 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -3.6! K(o=-3.6!,f=-0.58) USER MOD Single : A 70 MET CE :methyl 165:sc= -0.0665 (180deg=-0.423) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.022 8.673 2.015 1.00 0.00 N ATOM 2 CA ALA A 1 14.332 8.070 3.334 1.00 0.00 C ATOM 3 C ALA A 1 13.245 7.081 3.727 1.00 0.00 C ATOM 4 O ALA A 1 12.094 7.213 3.302 1.00 0.00 O ATOM 5 CB ALA A 1 14.479 9.152 4.396 1.00 0.00 C ATOM 0 H1 ALA A 1 14.705 8.333 1.309 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.061 8.401 1.726 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.083 9.709 2.084 1.00 0.00 H new ATOM 0 HA ALA A 1 15.279 7.536 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.706 8.690 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.288 9.828 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.548 9.714 4.475 1.00 0.00 H new ATOM 13 N SER A 2 13.602 6.101 4.543 1.00 0.00 N ATOM 14 CA SER A 2 12.678 5.043 4.902 1.00 0.00 C ATOM 15 C SER A 2 11.753 5.461 6.053 1.00 0.00 C ATOM 16 O SER A 2 12.119 5.375 7.227 1.00 0.00 O ATOM 17 CB SER A 2 13.462 3.774 5.253 1.00 0.00 C ATOM 18 OG SER A 2 14.589 4.084 6.059 1.00 0.00 O ATOM 0 H SER A 2 14.526 6.019 4.968 1.00 0.00 H new ATOM 0 HA SER A 2 12.037 4.839 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.813 3.075 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.788 3.278 4.339 1.00 0.00 H new ATOM 0 HG SER A 2 14.306 4.635 6.819 1.00 0.00 H new ATOM 24 N ASN A 3 10.572 5.974 5.697 1.00 0.00 N ATOM 25 CA ASN A 3 9.491 6.162 6.670 1.00 0.00 C ATOM 26 C ASN A 3 9.038 4.790 7.136 1.00 0.00 C ATOM 27 O ASN A 3 8.785 4.548 8.315 1.00 0.00 O ATOM 28 CB ASN A 3 8.318 6.930 6.037 1.00 0.00 C ATOM 29 CG ASN A 3 7.142 7.100 6.983 1.00 0.00 C ATOM 30 OD1 ASN A 3 7.309 7.221 8.194 1.00 0.00 O ATOM 31 ND2 ASN A 3 5.936 7.103 6.435 1.00 0.00 N ATOM 0 H ASN A 3 10.340 6.265 4.747 1.00 0.00 H new ATOM 0 HA ASN A 3 9.848 6.749 7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.665 7.912 5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.985 6.402 5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.109 7.208 7.023 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.834 7.000 5.425 1.00 0.00 H new ATOM 38 N PHE A 4 8.949 3.904 6.168 1.00 0.00 N ATOM 39 CA PHE A 4 8.781 2.488 6.398 1.00 0.00 C ATOM 40 C PHE A 4 9.806 1.763 5.548 1.00 0.00 C ATOM 41 O PHE A 4 10.695 2.389 4.971 1.00 0.00 O ATOM 42 CB PHE A 4 7.374 2.037 6.001 1.00 0.00 C ATOM 43 CG PHE A 4 7.066 2.264 4.547 1.00 0.00 C ATOM 44 CD1 PHE A 4 7.462 1.333 3.611 1.00 0.00 C ATOM 45 CD2 PHE A 4 6.401 3.402 4.113 1.00 0.00 C ATOM 46 CE1 PHE A 4 7.212 1.518 2.277 1.00 0.00 C ATOM 47 CE2 PHE A 4 6.143 3.592 2.766 1.00 0.00 C ATOM 48 CZ PHE A 4 6.554 2.638 1.849 1.00 0.00 C ATOM 0 H PHE A 4 8.992 4.154 5.180 1.00 0.00 H new ATOM 0 HA PHE A 4 8.918 2.264 7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.262 0.977 6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.644 2.572 6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.979 0.442 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.083 4.144 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.536 0.777 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.624 4.479 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.355 2.779 0.797 1.00 0.00 H new ATOM 58 N ASP A 5 9.659 0.463 5.429 1.00 0.00 N ATOM 59 CA ASP A 5 10.504 -0.294 4.537 1.00 0.00 C ATOM 60 C ASP A 5 9.682 -1.179 3.600 1.00 0.00 C ATOM 61 O ASP A 5 9.271 -0.769 2.521 1.00 0.00 O ATOM 62 CB ASP A 5 11.537 -1.104 5.341 1.00 0.00 C ATOM 63 CG ASP A 5 10.930 -1.882 6.497 1.00 0.00 C ATOM 64 OD1 ASP A 5 10.573 -1.261 7.520 1.00 0.00 O ATOM 65 OD2 ASP A 5 10.791 -3.115 6.374 1.00 0.00 O ATOM 0 H ASP A 5 8.966 -0.088 5.936 1.00 0.00 H new ATOM 0 HA ASP A 5 11.048 0.405 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.043 -1.799 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.297 -0.426 5.729 1.00 0.00 H new ATOM 70 N CYS A 6 9.494 -2.383 4.030 1.00 0.00 N ATOM 71 CA CYS A 6 8.807 -3.424 3.308 1.00 0.00 C ATOM 72 C CYS A 6 8.078 -4.322 4.315 1.00 0.00 C ATOM 73 O CYS A 6 7.979 -3.979 5.494 1.00 0.00 O ATOM 74 CB CYS A 6 9.809 -4.228 2.493 1.00 0.00 C ATOM 75 SG CYS A 6 11.195 -4.905 3.461 1.00 0.00 S ATOM 0 H CYS A 6 9.830 -2.692 4.942 1.00 0.00 H new ATOM 0 HA CYS A 6 8.079 -2.992 2.622 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.286 -5.051 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.210 -3.593 1.703 1.00 0.00 H new ATOM 80 N CYS A 7 7.576 -5.464 3.874 1.00 0.00 N ATOM 81 CA CYS A 7 6.911 -6.384 4.783 1.00 0.00 C ATOM 82 C CYS A 7 7.794 -7.596 5.053 1.00 0.00 C ATOM 83 O CYS A 7 8.693 -7.902 4.274 1.00 0.00 O ATOM 84 CB CYS A 7 5.560 -6.830 4.221 1.00 0.00 C ATOM 85 SG CYS A 7 4.617 -7.900 5.354 1.00 0.00 S ATOM 0 H CYS A 7 7.615 -5.774 2.903 1.00 0.00 H new ATOM 0 HA CYS A 7 6.734 -5.860 5.722 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.964 -5.948 3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.723 -7.362 3.284 1.00 0.00 H new ATOM 90 N LEU A 8 7.537 -8.277 6.165 1.00 0.00 N ATOM 91 CA LEU A 8 8.310 -9.457 6.538 1.00 0.00 C ATOM 92 C LEU A 8 7.872 -10.671 5.726 1.00 0.00 C ATOM 93 O LEU A 8 8.658 -11.589 5.485 1.00 0.00 O ATOM 94 CB LEU A 8 8.156 -9.742 8.034 1.00 0.00 C ATOM 95 CG LEU A 8 8.631 -8.615 8.954 1.00 0.00 C ATOM 96 CD1 LEU A 8 8.437 -8.989 10.412 1.00 0.00 C ATOM 97 CD2 LEU A 8 10.089 -8.281 8.690 1.00 0.00 C ATOM 0 H LEU A 8 6.799 -8.032 6.825 1.00 0.00 H new ATOM 0 HA LEU A 8 9.360 -9.258 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.106 -9.946 8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.711 -10.648 8.276 1.00 0.00 H new ATOM 0 HG LEU A 8 8.028 -7.733 8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.782 -8.172 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.380 -9.175 10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.010 -9.889 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.404 -7.477 9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.703 -9.163 8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.207 -7.962 7.654 1.00 0.00 H new ATOM 109 N GLY A 9 6.615 -10.665 5.307 1.00 0.00 N ATOM 110 CA GLY A 9 6.084 -11.745 4.500 1.00 0.00 C ATOM 111 C GLY A 9 4.754 -11.371 3.884 1.00 0.00 C ATOM 112 O GLY A 9 3.901 -10.790 4.555 1.00 0.00 O ATOM 0 H GLY A 9 5.947 -9.923 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.794 -11.996 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.964 -12.636 5.116 1.00 0.00 H new ATOM 116 N TYR A 10 4.571 -11.691 2.610 1.00 0.00 N ATOM 117 CA TYR A 10 3.352 -11.325 1.900 1.00 0.00 C ATOM 118 C TYR A 10 2.209 -12.266 2.255 1.00 0.00 C ATOM 119 O TYR A 10 2.391 -13.265 2.953 1.00 0.00 O ATOM 120 CB TYR A 10 3.550 -11.364 0.382 1.00 0.00 C ATOM 121 CG TYR A 10 4.606 -10.432 -0.172 1.00 0.00 C ATOM 122 CD1 TYR A 10 5.956 -10.670 0.048 1.00 0.00 C ATOM 123 CD2 TYR A 10 4.250 -9.331 -0.950 1.00 0.00 C ATOM 124 CE1 TYR A 10 6.921 -9.839 -0.484 1.00 0.00 C ATOM 125 CE2 TYR A 10 5.211 -8.497 -1.478 1.00 0.00 C ATOM 126 CZ TYR A 10 6.544 -8.754 -1.244 1.00 0.00 C ATOM 127 OH TYR A 10 7.498 -7.926 -1.783 1.00 0.00 O ATOM 0 H TYR A 10 5.250 -12.203 2.047 1.00 0.00 H new ATOM 0 HA TYR A 10 3.108 -10.308 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.806 -12.384 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.599 -11.128 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.256 -11.519 0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.206 -9.129 -1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.967 -10.039 -0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.920 -7.644 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 10 7.107 -7.044 -1.954 1.00 0.00 H new ATOM 137 N THR A 11 1.028 -11.933 1.760 1.00 0.00 N ATOM 138 CA THR A 11 -0.132 -12.788 1.900 1.00 0.00 C ATOM 139 C THR A 11 -0.203 -13.768 0.726 1.00 0.00 C ATOM 140 O THR A 11 0.669 -13.768 -0.146 1.00 0.00 O ATOM 141 CB THR A 11 -1.430 -11.951 1.972 1.00 0.00 C ATOM 142 OG1 THR A 11 -2.551 -12.781 2.313 1.00 0.00 O ATOM 143 CG2 THR A 11 -1.700 -11.252 0.649 1.00 0.00 C ATOM 0 H THR A 11 0.850 -11.066 1.253 1.00 0.00 H new ATOM 0 HA THR A 11 -0.036 -13.348 2.830 1.00 0.00 H new ATOM 0 HB THR A 11 -1.294 -11.197 2.748 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.327 -12.217 2.512 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.618 -10.670 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.869 -10.588 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.807 -11.996 -0.140 1.00 0.00 H new ATOM 151 N ASP A 12 -1.235 -14.591 0.713 1.00 0.00 N ATOM 152 CA ASP A 12 -1.424 -15.593 -0.330 1.00 0.00 C ATOM 153 C ASP A 12 -2.896 -15.688 -0.706 1.00 0.00 C ATOM 154 O ASP A 12 -3.280 -16.477 -1.566 1.00 0.00 O ATOM 155 CB ASP A 12 -0.944 -16.957 0.171 1.00 0.00 C ATOM 156 CG ASP A 12 -1.774 -17.466 1.337 1.00 0.00 C ATOM 157 OD1 ASP A 12 -1.629 -16.937 2.461 1.00 0.00 O ATOM 158 OD2 ASP A 12 -2.581 -18.397 1.138 1.00 0.00 O ATOM 0 H ASP A 12 -1.968 -14.587 1.423 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.847 -15.299 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.988 -17.678 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.100 -16.883 0.476 1.00 0.00 H new ATOM 163 N ARG A 13 -3.703 -14.851 -0.074 1.00 0.00 N ATOM 164 CA ARG A 13 -5.153 -15.002 -0.105 1.00 0.00 C ATOM 165 C ARG A 13 -5.803 -14.175 -1.198 1.00 0.00 C ATOM 166 O ARG A 13 -5.132 -13.592 -2.041 1.00 0.00 O ATOM 167 CB ARG A 13 -5.722 -14.549 1.233 1.00 0.00 C ATOM 168 CG ARG A 13 -4.947 -15.109 2.420 1.00 0.00 C ATOM 169 CD ARG A 13 -5.522 -14.665 3.755 1.00 0.00 C ATOM 170 NE ARG A 13 -4.603 -14.973 4.852 1.00 0.00 N ATOM 171 CZ ARG A 13 -4.972 -15.476 6.029 1.00 0.00 C ATOM 172 NH1 ARG A 13 -6.236 -15.803 6.254 1.00 0.00 N ATOM 173 NH2 ARG A 13 -4.062 -15.694 6.968 1.00 0.00 N ATOM 0 H ARG A 13 -3.377 -14.053 0.471 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.366 -16.052 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.711 -13.460 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.764 -14.861 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.951 -16.198 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.907 -14.791 2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.719 -13.593 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.477 -15.161 3.926 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.610 -14.790 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.935 -15.670 5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.510 -16.188 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.082 -15.477 6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.342 -16.079 7.870 1.00 0.00 H new ATOM 187 N ILE A 14 -7.126 -14.158 -1.163 1.00 0.00 N ATOM 188 CA ILE A 14 -7.925 -13.235 -1.939 1.00 0.00 C ATOM 189 C ILE A 14 -8.712 -12.356 -0.964 1.00 0.00 C ATOM 190 O ILE A 14 -9.807 -12.713 -0.533 1.00 0.00 O ATOM 191 CB ILE A 14 -8.910 -13.975 -2.876 1.00 0.00 C ATOM 192 CG1 ILE A 14 -8.161 -14.787 -3.944 1.00 0.00 C ATOM 193 CG2 ILE A 14 -9.870 -12.986 -3.529 1.00 0.00 C ATOM 194 CD1 ILE A 14 -7.867 -14.006 -5.200 1.00 0.00 C ATOM 0 H ILE A 14 -7.678 -14.794 -0.587 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.264 -12.637 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.488 -14.674 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.223 -15.148 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.753 -15.665 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.556 -13.523 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.438 -12.467 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.304 -12.260 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.337 -14.643 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.803 -13.668 -5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.249 -13.142 -4.955 1.00 0.00 H new ATOM 206 N LEU A 15 -8.115 -11.247 -0.555 1.00 0.00 N ATOM 207 CA LEU A 15 -8.783 -10.317 0.348 1.00 0.00 C ATOM 208 C LEU A 15 -9.577 -9.328 -0.474 1.00 0.00 C ATOM 209 O LEU A 15 -9.407 -9.241 -1.682 1.00 0.00 O ATOM 210 CB LEU A 15 -7.783 -9.581 1.254 1.00 0.00 C ATOM 211 CG LEU A 15 -7.069 -10.445 2.300 1.00 0.00 C ATOM 212 CD1 LEU A 15 -8.054 -11.350 3.028 1.00 0.00 C ATOM 213 CD2 LEU A 15 -5.966 -11.260 1.652 1.00 0.00 C ATOM 0 H LEU A 15 -7.174 -10.968 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.448 -10.882 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.029 -9.110 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.311 -8.780 1.771 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.619 -9.781 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.520 -11.951 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.804 -10.740 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.544 -12.007 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.470 -11.867 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.394 -11.910 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.240 -10.589 1.192 1.00 0.00 H new ATOM 225 N HIS A 16 -10.480 -8.611 0.149 1.00 0.00 N ATOM 226 CA HIS A 16 -11.349 -7.733 -0.606 1.00 0.00 C ATOM 227 C HIS A 16 -11.443 -6.360 0.009 1.00 0.00 C ATOM 228 O HIS A 16 -11.132 -6.169 1.182 1.00 0.00 O ATOM 229 CB HIS A 16 -12.743 -8.318 -0.680 1.00 0.00 C ATOM 230 CG HIS A 16 -12.829 -9.582 -1.449 1.00 0.00 C ATOM 231 ND1 HIS A 16 -13.883 -10.429 -1.312 1.00 0.00 N ATOM 232 CD2 HIS A 16 -12.018 -10.123 -2.392 1.00 0.00 C ATOM 233 CE1 HIS A 16 -13.748 -11.425 -2.137 1.00 0.00 C ATOM 234 NE2 HIS A 16 -12.624 -11.276 -2.813 1.00 0.00 N ATOM 0 H HIS A 16 -10.634 -8.614 1.157 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.916 -7.640 -1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.105 -8.496 0.333 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.410 -7.584 -1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.078 -9.723 -2.742 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.444 -12.243 -2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.268 -11.911 -3.527 1.00 0.00 H new ATOM 243 N PRO A 17 -11.934 -5.389 -0.775 1.00 0.00 N ATOM 244 CA PRO A 17 -12.333 -4.090 -0.246 1.00 0.00 C ATOM 245 C PRO A 17 -13.509 -4.277 0.707 1.00 0.00 C ATOM 246 O PRO A 17 -13.834 -3.412 1.518 1.00 0.00 O ATOM 247 CB PRO A 17 -12.751 -3.294 -1.486 1.00 0.00 C ATOM 248 CG PRO A 17 -13.040 -4.321 -2.530 1.00 0.00 C ATOM 249 CD PRO A 17 -12.139 -5.485 -2.231 1.00 0.00 C ATOM 0 HA PRO A 17 -11.546 -3.585 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.629 -2.681 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.958 -2.619 -1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.087 -4.622 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.849 -3.927 -3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.599 -6.432 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.197 -5.415 -2.775 1.00 0.00 H new ATOM 257 N LYS A 18 -14.129 -5.452 0.574 1.00 0.00 N ATOM 258 CA LYS A 18 -15.173 -5.935 1.471 1.00 0.00 C ATOM 259 C LYS A 18 -14.729 -5.860 2.936 1.00 0.00 C ATOM 260 O LYS A 18 -15.551 -5.698 3.835 1.00 0.00 O ATOM 261 CB LYS A 18 -15.498 -7.398 1.112 1.00 0.00 C ATOM 262 CG LYS A 18 -16.234 -7.586 -0.205 1.00 0.00 C ATOM 263 CD LYS A 18 -16.477 -9.057 -0.476 1.00 0.00 C ATOM 264 CE LYS A 18 -17.397 -9.275 -1.663 1.00 0.00 C ATOM 265 NZ LYS A 18 -18.806 -8.946 -1.335 1.00 0.00 N ATOM 0 H LYS A 18 -13.912 -6.106 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.054 -5.304 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.567 -7.963 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.100 -7.828 1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.185 -7.054 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.652 -7.152 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.524 -9.553 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.912 -9.521 0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.065 -8.659 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.332 -10.314 -1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.420 -9.219 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.094 -9.465 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.893 -7.924 -1.165 1.00 0.00 H new ATOM 279 N PHE A 19 -13.422 -5.980 3.170 1.00 0.00 N ATOM 280 CA PHE A 19 -12.890 -6.052 4.527 1.00 0.00 C ATOM 281 C PHE A 19 -11.773 -5.029 4.750 1.00 0.00 C ATOM 282 O PHE A 19 -11.083 -5.069 5.771 1.00 0.00 O ATOM 283 CB PHE A 19 -12.345 -7.463 4.795 1.00 0.00 C ATOM 284 CG PHE A 19 -13.333 -8.561 4.493 1.00 0.00 C ATOM 285 CD1 PHE A 19 -14.270 -8.951 5.436 1.00 0.00 C ATOM 286 CD2 PHE A 19 -13.324 -9.199 3.261 1.00 0.00 C ATOM 287 CE1 PHE A 19 -15.183 -9.950 5.157 1.00 0.00 C ATOM 288 CE2 PHE A 19 -14.234 -10.200 2.976 1.00 0.00 C ATOM 289 CZ PHE A 19 -15.166 -10.575 3.925 1.00 0.00 C ATOM 0 H PHE A 19 -12.714 -6.029 2.437 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.703 -5.825 5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.449 -7.617 4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.044 -7.534 5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -14.287 -8.468 6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.598 -8.910 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.909 -10.242 5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.217 -10.688 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.880 -11.355 3.704 1.00 0.00 H new ATOM 299 N ILE A 20 -11.613 -4.102 3.813 1.00 0.00 N ATOM 300 CA ILE A 20 -10.491 -3.169 3.851 1.00 0.00 C ATOM 301 C ILE A 20 -10.923 -1.764 4.252 1.00 0.00 C ATOM 302 O ILE A 20 -11.837 -1.194 3.661 1.00 0.00 O ATOM 303 CB ILE A 20 -9.754 -3.127 2.507 1.00 0.00 C ATOM 304 CG1 ILE A 20 -8.986 -4.429 2.314 1.00 0.00 C ATOM 305 CG2 ILE A 20 -8.812 -1.934 2.419 1.00 0.00 C ATOM 306 CD1 ILE A 20 -8.234 -4.896 3.544 1.00 0.00 C ATOM 0 H ILE A 20 -12.242 -3.976 3.020 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.808 -3.540 4.615 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.491 -3.014 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.685 -5.209 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.277 -4.302 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.308 -1.939 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.382 -1.011 2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.070 -1.997 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.715 -5.828 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.508 -4.138 3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.937 -5.059 4.361 1.00 0.00 H new ATOM 318 N VAL A 21 -10.254 -1.208 5.256 1.00 0.00 N ATOM 319 CA VAL A 21 -10.539 0.148 5.710 1.00 0.00 C ATOM 320 C VAL A 21 -9.315 1.048 5.544 1.00 0.00 C ATOM 321 O VAL A 21 -9.368 2.252 5.807 1.00 0.00 O ATOM 322 CB VAL A 21 -10.999 0.177 7.186 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.366 -0.475 7.330 1.00 0.00 C ATOM 324 CG2 VAL A 21 -9.981 -0.509 8.087 1.00 0.00 C ATOM 0 H VAL A 21 -9.509 -1.677 5.772 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.352 0.523 5.088 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.077 1.219 7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.675 -0.446 8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.092 0.064 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.312 -1.511 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.328 -0.475 9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.863 -1.548 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.022 0.004 8.009 1.00 0.00 H new ATOM 334 N GLY A 22 -8.211 0.457 5.101 1.00 0.00 N ATOM 335 CA GLY A 22 -6.986 1.211 4.918 1.00 0.00 C ATOM 336 C GLY A 22 -6.073 0.570 3.895 1.00 0.00 C ATOM 337 O GLY A 22 -6.183 -0.623 3.623 1.00 0.00 O ATOM 0 H GLY A 22 -8.143 -0.533 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.229 2.226 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.463 1.290 5.871 1.00 0.00 H new ATOM 341 N PHE A 23 -5.166 1.356 3.339 1.00 0.00 N ATOM 342 CA PHE A 23 -4.260 0.892 2.309 1.00 0.00 C ATOM 343 C PHE A 23 -2.998 1.749 2.293 1.00 0.00 C ATOM 344 O PHE A 23 -3.058 2.975 2.380 1.00 0.00 O ATOM 345 CB PHE A 23 -4.987 0.933 0.983 1.00 0.00 C ATOM 346 CG PHE A 23 -4.102 1.205 -0.163 1.00 0.00 C ATOM 347 CD1 PHE A 23 -3.365 0.195 -0.739 1.00 0.00 C ATOM 348 CD2 PHE A 23 -4.003 2.483 -0.650 1.00 0.00 C ATOM 349 CE1 PHE A 23 -2.536 0.461 -1.792 1.00 0.00 C ATOM 350 CE2 PHE A 23 -3.177 2.759 -1.705 1.00 0.00 C ATOM 351 CZ PHE A 23 -2.439 1.741 -2.273 1.00 0.00 C ATOM 0 H PHE A 23 -5.039 2.336 3.592 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.946 -0.133 2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.491 -0.020 0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.760 1.700 1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.442 -0.812 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.580 3.276 -0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.960 -0.333 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.103 3.765 -2.090 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.780 1.954 -3.102 1.00 0.00 H new ATOM 361 N THR A 24 -1.861 1.085 2.212 1.00 0.00 N ATOM 362 CA THR A 24 -0.577 1.751 2.174 1.00 0.00 C ATOM 363 C THR A 24 0.360 1.018 1.215 1.00 0.00 C ATOM 364 O THR A 24 0.807 -0.086 1.517 1.00 0.00 O ATOM 365 CB THR A 24 0.056 1.801 3.579 1.00 0.00 C ATOM 366 OG1 THR A 24 -0.892 2.337 4.515 1.00 0.00 O ATOM 367 CG2 THR A 24 1.319 2.658 3.576 1.00 0.00 C ATOM 0 H THR A 24 -1.803 0.067 2.171 1.00 0.00 H new ATOM 0 HA THR A 24 -0.730 2.772 1.825 1.00 0.00 H new ATOM 0 HB THR A 24 0.329 0.787 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.080 1.670 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.747 2.678 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.044 2.236 2.880 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.069 3.673 3.268 1.00 0.00 H new ATOM 375 N ARG A 25 0.630 1.596 0.047 1.00 0.00 N ATOM 376 CA ARG A 25 1.532 0.949 -0.895 1.00 0.00 C ATOM 377 C ARG A 25 2.980 1.137 -0.449 1.00 0.00 C ATOM 378 O ARG A 25 3.530 2.241 -0.473 1.00 0.00 O ATOM 379 CB ARG A 25 1.304 1.441 -2.335 1.00 0.00 C ATOM 380 CG ARG A 25 1.654 2.901 -2.586 1.00 0.00 C ATOM 381 CD ARG A 25 1.626 3.240 -4.072 1.00 0.00 C ATOM 382 NE ARG A 25 0.284 3.135 -4.643 1.00 0.00 N ATOM 383 CZ ARG A 25 0.033 2.814 -5.914 1.00 0.00 C ATOM 384 NH1 ARG A 25 1.030 2.539 -6.751 1.00 0.00 N ATOM 385 NH2 ARG A 25 -1.219 2.765 -6.352 1.00 0.00 N ATOM 0 H ARG A 25 0.247 2.489 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 25 1.314 -0.119 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.894 0.822 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.256 1.286 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.950 3.541 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.645 3.112 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.002 4.253 -4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.299 2.570 -4.607 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.511 3.319 -4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.995 2.573 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.829 2.295 -7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.990 2.973 -5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.410 2.520 -7.323 1.00 0.00 H new ATOM 399 N GLN A 26 3.566 0.048 0.001 1.00 0.00 N ATOM 400 CA GLN A 26 4.900 0.044 0.553 1.00 0.00 C ATOM 401 C GLN A 26 5.906 -0.426 -0.499 1.00 0.00 C ATOM 402 O GLN A 26 5.702 -1.453 -1.147 1.00 0.00 O ATOM 403 CB GLN A 26 4.853 -0.840 1.789 1.00 0.00 C ATOM 404 CG GLN A 26 6.100 -1.604 2.111 1.00 0.00 C ATOM 405 CD GLN A 26 5.793 -2.645 3.148 1.00 0.00 C ATOM 406 OE1 GLN A 26 5.495 -3.791 2.826 1.00 0.00 O ATOM 407 NE2 GLN A 26 5.825 -2.248 4.404 1.00 0.00 N ATOM 0 H GLN A 26 3.122 -0.870 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 26 5.234 1.040 0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.605 -0.215 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.038 -1.553 1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.493 -2.076 1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.871 -0.926 2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.078 -1.286 4.628 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.597 -2.903 5.152 1.00 0.00 H new ATOM 416 N LEU A 27 7.011 0.310 -0.625 1.00 0.00 N ATOM 417 CA LEU A 27 7.830 0.271 -1.837 1.00 0.00 C ATOM 418 C LEU A 27 9.275 -0.132 -1.570 1.00 0.00 C ATOM 419 O LEU A 27 9.792 0.017 -0.465 1.00 0.00 O ATOM 420 CB LEU A 27 7.828 1.646 -2.511 1.00 0.00 C ATOM 421 CG LEU A 27 6.462 2.154 -2.978 1.00 0.00 C ATOM 422 CD1 LEU A 27 6.579 3.555 -3.554 1.00 0.00 C ATOM 423 CD2 LEU A 27 5.872 1.220 -4.021 1.00 0.00 C ATOM 0 H LEU A 27 7.359 0.940 0.097 1.00 0.00 H new ATOM 0 HA LEU A 27 7.386 -0.486 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.246 2.372 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.495 1.609 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 27 5.800 2.182 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.597 3.898 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.964 4.231 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.260 3.543 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.901 1.598 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.541 1.165 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.751 0.225 -3.592 1.00 0.00 H new ATOM 435 N ALA A 28 9.927 -0.602 -2.628 1.00 0.00 N ATOM 436 CA ALA A 28 11.317 -1.019 -2.585 1.00 0.00 C ATOM 437 C ALA A 28 12.218 0.035 -3.226 1.00 0.00 C ATOM 438 O ALA A 28 13.257 -0.279 -3.801 1.00 0.00 O ATOM 439 CB ALA A 28 11.457 -2.344 -3.314 1.00 0.00 C ATOM 0 H ALA A 28 9.497 -0.704 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 28 11.625 -1.136 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.498 -2.666 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.833 -3.094 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.141 -2.224 -4.350 1.00 0.00 H new ATOM 445 N ASN A 29 11.819 1.293 -3.120 1.00 0.00 N ATOM 446 CA ASN A 29 12.573 2.374 -3.741 1.00 0.00 C ATOM 447 C ASN A 29 13.460 3.072 -2.716 1.00 0.00 C ATOM 448 O ASN A 29 14.674 2.887 -2.708 1.00 0.00 O ATOM 449 CB ASN A 29 11.634 3.391 -4.396 1.00 0.00 C ATOM 450 CG ASN A 29 10.752 2.794 -5.486 1.00 0.00 C ATOM 451 OD1 ASN A 29 9.624 3.240 -5.687 1.00 0.00 O ATOM 452 ND2 ASN A 29 11.251 1.800 -6.210 1.00 0.00 N ATOM 0 H ASN A 29 10.985 1.590 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 29 13.205 1.936 -4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.999 3.834 -3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.228 4.199 -4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.695 1.384 -6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.190 1.452 -6.019 1.00 0.00 H new ATOM 459 N GLU A 30 12.846 3.857 -1.842 1.00 0.00 N ATOM 460 CA GLU A 30 13.587 4.602 -0.835 1.00 0.00 C ATOM 461 C GLU A 30 13.310 4.042 0.559 1.00 0.00 C ATOM 462 O GLU A 30 13.490 4.733 1.563 1.00 0.00 O ATOM 463 CB GLU A 30 13.213 6.090 -0.899 1.00 0.00 C ATOM 464 CG GLU A 30 11.732 6.359 -0.665 1.00 0.00 C ATOM 465 CD GLU A 30 11.397 7.838 -0.667 1.00 0.00 C ATOM 466 OE1 GLU A 30 11.722 8.525 0.327 1.00 0.00 O ATOM 467 OE2 GLU A 30 10.797 8.314 -1.655 1.00 0.00 O ATOM 0 H GLU A 30 11.836 3.994 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 30 14.653 4.499 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.794 6.634 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.495 6.485 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.150 5.858 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.435 5.925 0.290 1.00 0.00 H new ATOM 474 N GLY A 31 12.893 2.782 0.617 1.00 0.00 N ATOM 475 CA GLY A 31 12.537 2.181 1.886 1.00 0.00 C ATOM 476 C GLY A 31 13.220 0.847 2.103 1.00 0.00 C ATOM 477 O GLY A 31 14.136 0.734 2.920 1.00 0.00 O ATOM 0 H GLY A 31 12.796 2.168 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.806 2.860 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.456 2.045 1.930 1.00 0.00 H new ATOM 481 N CYS A 32 12.775 -0.158 1.363 1.00 0.00 N ATOM 482 CA CYS A 32 13.313 -1.504 1.494 1.00 0.00 C ATOM 483 C CYS A 32 13.720 -2.046 0.125 1.00 0.00 C ATOM 484 O CYS A 32 13.717 -1.312 -0.860 1.00 0.00 O ATOM 485 CB CYS A 32 12.261 -2.405 2.142 1.00 0.00 C ATOM 486 SG CYS A 32 12.820 -4.092 2.566 1.00 0.00 S ATOM 0 H CYS A 32 12.039 -0.066 0.663 1.00 0.00 H new ATOM 0 HA CYS A 32 14.201 -1.482 2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 32 11.904 -1.921 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 32 11.409 -2.483 1.466 1.00 0.00 H new ATOM 491 N ASP A 33 14.076 -3.321 0.069 1.00 0.00 N ATOM 492 CA ASP A 33 14.457 -3.956 -1.187 1.00 0.00 C ATOM 493 C ASP A 33 13.267 -4.696 -1.775 1.00 0.00 C ATOM 494 O ASP A 33 13.212 -4.952 -2.977 1.00 0.00 O ATOM 495 CB ASP A 33 15.599 -4.949 -0.978 1.00 0.00 C ATOM 496 CG ASP A 33 16.613 -4.487 0.043 1.00 0.00 C ATOM 497 OD1 ASP A 33 16.398 -4.746 1.244 1.00 0.00 O ATOM 498 OD2 ASP A 33 17.636 -3.888 -0.346 1.00 0.00 O ATOM 0 H ASP A 33 14.109 -3.939 0.880 1.00 0.00 H new ATOM 0 HA ASP A 33 14.788 -3.173 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.185 -5.907 -0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.103 -5.118 -1.930 1.00 0.00 H new ATOM 503 N ILE A 34 12.324 -5.059 -0.913 1.00 0.00 N ATOM 504 CA ILE A 34 11.081 -5.687 -1.352 1.00 0.00 C ATOM 505 C ILE A 34 9.940 -4.689 -1.167 1.00 0.00 C ATOM 506 O ILE A 34 10.085 -3.726 -0.415 1.00 0.00 O ATOM 507 CB ILE A 34 10.785 -7.010 -0.580 1.00 0.00 C ATOM 508 CG1 ILE A 34 9.775 -6.792 0.550 1.00 0.00 C ATOM 509 CG2 ILE A 34 12.075 -7.589 -0.013 1.00 0.00 C ATOM 510 CD1 ILE A 34 9.409 -8.054 1.298 1.00 0.00 C ATOM 0 H ILE A 34 12.396 -4.929 0.096 1.00 0.00 H new ATOM 0 HA ILE A 34 11.179 -5.957 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 34 10.350 -7.714 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.185 -6.069 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.869 -6.352 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.855 -8.512 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.768 -7.799 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 34 12.526 -6.871 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.690 -7.817 2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.968 -8.772 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.305 -8.484 1.746 1.00 0.00 H new ATOM 522 N ASN A 35 8.830 -4.883 -1.859 1.00 0.00 N ATOM 523 CA ASN A 35 7.700 -3.966 -1.726 1.00 0.00 C ATOM 524 C ASN A 35 6.398 -4.732 -1.534 1.00 0.00 C ATOM 525 O ASN A 35 6.131 -5.692 -2.253 1.00 0.00 O ATOM 526 CB ASN A 35 7.592 -3.046 -2.956 1.00 0.00 C ATOM 527 CG ASN A 35 7.422 -3.799 -4.265 1.00 0.00 C ATOM 528 OD1 ASN A 35 6.305 -4.060 -4.706 1.00 0.00 O ATOM 529 ND2 ASN A 35 8.531 -4.132 -4.911 1.00 0.00 N ATOM 0 H ASN A 35 8.683 -5.654 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 35 7.875 -3.350 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.746 -2.372 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.487 -2.427 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.474 -4.621 -5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.442 -3.899 -4.515 1.00 0.00 H new ATOM 536 N ALA A 36 5.603 -4.328 -0.547 1.00 0.00 N ATOM 537 CA ALA A 36 4.311 -4.973 -0.314 1.00 0.00 C ATOM 538 C ALA A 36 3.181 -3.951 -0.218 1.00 0.00 C ATOM 539 O ALA A 36 3.362 -2.842 0.274 1.00 0.00 O ATOM 540 CB ALA A 36 4.359 -5.840 0.938 1.00 0.00 C ATOM 0 H ALA A 36 5.824 -3.568 0.097 1.00 0.00 H new ATOM 0 HA ALA A 36 4.105 -5.613 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.388 -6.310 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.120 -6.611 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.603 -5.220 1.801 1.00 0.00 H new ATOM 546 N ILE A 37 2.013 -4.326 -0.708 1.00 0.00 N ATOM 547 CA ILE A 37 0.845 -3.465 -0.635 1.00 0.00 C ATOM 548 C ILE A 37 0.098 -3.714 0.673 1.00 0.00 C ATOM 549 O ILE A 37 -0.569 -4.729 0.829 1.00 0.00 O ATOM 550 CB ILE A 37 -0.106 -3.709 -1.827 1.00 0.00 C ATOM 551 CG1 ILE A 37 0.644 -3.525 -3.150 1.00 0.00 C ATOM 552 CG2 ILE A 37 -1.298 -2.769 -1.750 1.00 0.00 C ATOM 553 CD1 ILE A 37 1.234 -2.137 -3.338 1.00 0.00 C ATOM 0 H ILE A 37 1.847 -5.224 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 37 1.186 -2.430 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.473 -4.734 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.447 -4.260 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.038 -3.734 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.960 -2.951 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.840 -2.944 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.950 -1.737 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.748 -2.087 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.435 -1.396 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.942 -1.931 -2.536 1.00 0.00 H new ATOM 565 N ILE A 38 0.223 -2.804 1.621 1.00 0.00 N ATOM 566 CA ILE A 38 -0.390 -3.000 2.928 1.00 0.00 C ATOM 567 C ILE A 38 -1.881 -2.670 2.899 1.00 0.00 C ATOM 568 O ILE A 38 -2.264 -1.500 2.885 1.00 0.00 O ATOM 569 CB ILE A 38 0.286 -2.136 4.015 1.00 0.00 C ATOM 570 CG1 ILE A 38 1.795 -2.374 4.029 1.00 0.00 C ATOM 571 CG2 ILE A 38 -0.306 -2.455 5.382 1.00 0.00 C ATOM 572 CD1 ILE A 38 2.548 -1.423 4.935 1.00 0.00 C ATOM 0 H ILE A 38 0.737 -1.929 1.516 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.254 -4.053 3.174 1.00 0.00 H new ATOM 0 HB ILE A 38 0.103 -1.086 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.990 -3.398 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.180 -2.277 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.178 -1.840 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.376 -2.245 5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.145 -3.508 5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.613 -1.650 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.383 -0.398 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.191 -1.536 5.959 1.00 0.00 H new ATOM 584 N PHE A 39 -2.718 -3.693 2.872 1.00 0.00 N ATOM 585 CA PHE A 39 -4.150 -3.496 3.033 1.00 0.00 C ATOM 586 C PHE A 39 -4.501 -3.622 4.510 1.00 0.00 C ATOM 587 O PHE A 39 -4.194 -4.628 5.149 1.00 0.00 O ATOM 588 CB PHE A 39 -4.966 -4.504 2.215 1.00 0.00 C ATOM 589 CG PHE A 39 -4.887 -4.324 0.721 1.00 0.00 C ATOM 590 CD1 PHE A 39 -4.955 -3.063 0.137 1.00 0.00 C ATOM 591 CD2 PHE A 39 -4.757 -5.429 -0.100 1.00 0.00 C ATOM 592 CE1 PHE A 39 -4.886 -2.918 -1.242 1.00 0.00 C ATOM 593 CE2 PHE A 39 -4.691 -5.291 -1.470 1.00 0.00 C ATOM 594 CZ PHE A 39 -4.750 -4.039 -2.043 1.00 0.00 C ATOM 0 H PHE A 39 -2.434 -4.664 2.741 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.402 -2.502 2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.627 -5.510 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.010 -4.436 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.062 -2.189 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.706 -6.415 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.938 -1.936 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.593 -6.166 -2.096 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.690 -3.932 -3.116 1.00 0.00 H new ATOM 604 N HIS A 40 -5.122 -2.597 5.056 1.00 0.00 N ATOM 605 CA HIS A 40 -5.449 -2.578 6.473 1.00 0.00 C ATOM 606 C HIS A 40 -6.896 -3.010 6.646 1.00 0.00 C ATOM 607 O HIS A 40 -7.816 -2.284 6.265 1.00 0.00 O ATOM 608 CB HIS A 40 -5.236 -1.179 7.076 1.00 0.00 C ATOM 609 CG HIS A 40 -3.900 -0.563 6.773 1.00 0.00 C ATOM 610 ND1 HIS A 40 -2.972 -0.218 7.734 1.00 0.00 N ATOM 611 CD2 HIS A 40 -3.360 -0.195 5.593 1.00 0.00 C ATOM 612 CE1 HIS A 40 -1.925 0.340 7.143 1.00 0.00 C ATOM 613 NE2 HIS A 40 -2.138 0.366 5.845 1.00 0.00 N ATOM 0 H HIS A 40 -5.412 -1.764 4.543 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.787 -3.266 6.999 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -6.019 -0.516 6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.355 -1.242 8.158 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -3.075 -0.368 8.738 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.813 -0.321 4.621 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.043 0.712 7.644 1.00 0.00 H new ATOM 622 N THR A 41 -7.093 -4.200 7.183 1.00 0.00 N ATOM 623 CA THR A 41 -8.431 -4.755 7.318 1.00 0.00 C ATOM 624 C THR A 41 -9.187 -4.104 8.462 1.00 0.00 C ATOM 625 O THR A 41 -8.589 -3.545 9.385 1.00 0.00 O ATOM 626 CB THR A 41 -8.392 -6.280 7.550 1.00 0.00 C ATOM 627 OG1 THR A 41 -7.646 -6.576 8.729 1.00 0.00 O ATOM 628 CG2 THR A 41 -7.770 -6.998 6.366 1.00 0.00 C ATOM 0 H THR A 41 -6.347 -4.801 7.533 1.00 0.00 H new ATOM 0 HA THR A 41 -8.948 -4.549 6.380 1.00 0.00 H new ATOM 0 HB THR A 41 -9.418 -6.628 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.695 -6.401 8.567 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.756 -8.071 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.357 -6.797 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.750 -6.642 6.219 1.00 0.00 H new ATOM 636 N LYS A 42 -10.509 -4.178 8.391 1.00 0.00 N ATOM 637 CA LYS A 42 -11.364 -3.759 9.493 1.00 0.00 C ATOM 638 C LYS A 42 -11.177 -4.727 10.659 1.00 0.00 C ATOM 639 O LYS A 42 -11.627 -4.482 11.775 1.00 0.00 O ATOM 640 CB LYS A 42 -12.834 -3.754 9.050 1.00 0.00 C ATOM 641 CG LYS A 42 -13.791 -3.179 10.083 1.00 0.00 C ATOM 642 CD LYS A 42 -15.233 -3.530 9.758 1.00 0.00 C ATOM 643 CE LYS A 42 -16.194 -2.978 10.796 1.00 0.00 C ATOM 644 NZ LYS A 42 -15.838 -3.415 12.173 1.00 0.00 N ATOM 0 H LYS A 42 -11.015 -4.526 7.577 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.092 -2.750 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.923 -3.179 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.136 -4.775 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.535 -3.562 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.679 -2.096 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.491 -3.134 8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.340 -4.613 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.192 -1.889 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.207 -3.305 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.640 -3.239 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.616 -4.431 12.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.009 -2.881 12.503 1.00 0.00 H new ATOM 658 N LYS A 43 -10.483 -5.826 10.377 1.00 0.00 N ATOM 659 CA LYS A 43 -10.255 -6.872 11.352 1.00 0.00 C ATOM 660 C LYS A 43 -8.966 -6.609 12.137 1.00 0.00 C ATOM 661 O LYS A 43 -8.444 -7.491 12.823 1.00 0.00 O ATOM 662 CB LYS A 43 -10.206 -8.229 10.644 1.00 0.00 C ATOM 663 CG LYS A 43 -10.348 -9.425 11.572 1.00 0.00 C ATOM 664 CD LYS A 43 -10.436 -10.727 10.789 1.00 0.00 C ATOM 665 CE LYS A 43 -11.661 -10.758 9.885 1.00 0.00 C ATOM 666 NZ LYS A 43 -12.929 -10.756 10.659 1.00 0.00 N ATOM 0 H LYS A 43 -10.066 -6.010 9.465 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.077 -6.881 12.068 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.001 -8.266 9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.261 -8.311 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.496 -9.464 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.241 -9.307 12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.536 -10.851 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.474 -11.567 11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.642 -9.895 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.623 -11.647 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.726 -10.948 10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.889 -11.492 11.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.060 -9.827 11.108 1.00 0.00 H new ATOM 680 N LYS A 44 -8.463 -5.377 12.015 1.00 0.00 N ATOM 681 CA LYS A 44 -7.316 -4.892 12.794 1.00 0.00 C ATOM 682 C LYS A 44 -6.008 -5.545 12.355 1.00 0.00 C ATOM 683 O LYS A 44 -4.994 -5.431 13.039 1.00 0.00 O ATOM 684 CB LYS A 44 -7.532 -5.127 14.295 1.00 0.00 C ATOM 685 CG LYS A 44 -8.792 -4.476 14.847 1.00 0.00 C ATOM 686 CD LYS A 44 -9.042 -4.878 16.292 1.00 0.00 C ATOM 687 CE LYS A 44 -8.003 -4.292 17.231 1.00 0.00 C ATOM 688 NZ LYS A 44 -8.145 -2.821 17.377 1.00 0.00 N ATOM 0 H LYS A 44 -8.841 -4.683 11.370 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.240 -3.821 12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.578 -6.200 14.482 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.669 -4.745 14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.701 -3.392 14.781 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.648 -4.762 14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.034 -4.544 16.595 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.033 -5.965 16.373 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.094 -4.763 18.210 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.006 -4.524 16.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.533 -2.488 18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.867 -2.356 16.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.135 -2.588 17.595 1.00 0.00 H new ATOM 702 N LEU A 45 -6.027 -6.206 11.207 1.00 0.00 N ATOM 703 CA LEU A 45 -4.842 -6.884 10.696 1.00 0.00 C ATOM 704 C LEU A 45 -4.328 -6.208 9.427 1.00 0.00 C ATOM 705 O LEU A 45 -5.112 -5.750 8.588 1.00 0.00 O ATOM 706 CB LEU A 45 -5.146 -8.363 10.423 1.00 0.00 C ATOM 707 CG LEU A 45 -5.558 -9.178 11.648 1.00 0.00 C ATOM 708 CD1 LEU A 45 -5.928 -10.594 11.239 1.00 0.00 C ATOM 709 CD2 LEU A 45 -4.440 -9.196 12.680 1.00 0.00 C ATOM 0 H LEU A 45 -6.850 -6.288 10.610 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.063 -6.819 11.456 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.943 -8.423 9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.263 -8.823 9.980 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.432 -8.707 12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.219 -11.163 12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.760 -10.564 10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.070 -11.072 10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.753 -9.781 13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.548 -9.644 12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.218 -8.176 12.993 1.00 0.00 H new ATOM 721 N SER A 46 -3.013 -6.144 9.298 1.00 0.00 N ATOM 722 CA SER A 46 -2.389 -5.558 8.126 1.00 0.00 C ATOM 723 C SER A 46 -1.958 -6.652 7.156 1.00 0.00 C ATOM 724 O SER A 46 -1.070 -7.452 7.453 1.00 0.00 O ATOM 725 CB SER A 46 -1.193 -4.701 8.544 1.00 0.00 C ATOM 726 OG SER A 46 -0.357 -5.402 9.457 1.00 0.00 O ATOM 0 H SER A 46 -2.355 -6.493 9.995 1.00 0.00 H new ATOM 0 HA SER A 46 -3.112 -4.919 7.620 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.618 -4.418 7.662 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.546 -3.778 9.004 1.00 0.00 H new ATOM 0 HG SER A 46 -0.290 -6.341 9.184 1.00 0.00 H new ATOM 732 N VAL A 47 -2.611 -6.697 6.005 1.00 0.00 N ATOM 733 CA VAL A 47 -2.322 -7.708 5.006 1.00 0.00 C ATOM 734 C VAL A 47 -1.284 -7.194 4.017 1.00 0.00 C ATOM 735 O VAL A 47 -1.498 -6.181 3.348 1.00 0.00 O ATOM 736 CB VAL A 47 -3.597 -8.128 4.239 1.00 0.00 C ATOM 737 CG1 VAL A 47 -3.284 -9.200 3.207 1.00 0.00 C ATOM 738 CG2 VAL A 47 -4.665 -8.616 5.202 1.00 0.00 C ATOM 0 H VAL A 47 -3.347 -6.042 5.741 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.930 -8.581 5.528 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.977 -7.251 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.198 -9.477 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.557 -8.815 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.872 -10.077 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.554 -8.907 4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.289 -9.475 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.920 -7.817 5.898 1.00 0.00 H new ATOM 748 N CYS A 48 -0.159 -7.886 3.931 1.00 0.00 N ATOM 749 CA CYS A 48 0.879 -7.518 2.992 1.00 0.00 C ATOM 750 C CYS A 48 0.555 -8.105 1.633 1.00 0.00 C ATOM 751 O CYS A 48 0.926 -9.235 1.308 1.00 0.00 O ATOM 752 CB CYS A 48 2.241 -7.989 3.486 1.00 0.00 C ATOM 753 SG CYS A 48 2.698 -7.304 5.109 1.00 0.00 S ATOM 0 H CYS A 48 0.055 -8.704 4.501 1.00 0.00 H new ATOM 0 HA CYS A 48 0.921 -6.432 2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.241 -9.077 3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.000 -7.710 2.755 1.00 0.00 H new ATOM 758 N ALA A 49 -0.182 -7.338 0.862 1.00 0.00 N ATOM 759 CA ALA A 49 -0.686 -7.786 -0.411 1.00 0.00 C ATOM 760 C ALA A 49 0.428 -7.903 -1.438 1.00 0.00 C ATOM 761 O ALA A 49 1.337 -7.073 -1.494 1.00 0.00 O ATOM 762 CB ALA A 49 -1.773 -6.835 -0.885 1.00 0.00 C ATOM 0 H ALA A 49 -0.448 -6.383 1.103 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.112 -8.782 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.156 -7.172 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.584 -6.818 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.359 -5.832 -0.990 1.00 0.00 H new ATOM 768 N ASN A 50 0.351 -8.949 -2.241 1.00 0.00 N ATOM 769 CA ASN A 50 1.355 -9.200 -3.261 1.00 0.00 C ATOM 770 C ASN A 50 1.076 -8.318 -4.462 1.00 0.00 C ATOM 771 O ASN A 50 -0.027 -8.342 -5.001 1.00 0.00 O ATOM 772 CB ASN A 50 1.322 -10.662 -3.733 1.00 0.00 C ATOM 773 CG ASN A 50 1.585 -11.695 -2.655 1.00 0.00 C ATOM 774 OD1 ASN A 50 2.116 -12.766 -2.937 1.00 0.00 O ATOM 775 ND2 ASN A 50 1.213 -11.402 -1.418 1.00 0.00 N ATOM 0 H ASN A 50 -0.398 -9.640 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 50 2.332 -8.985 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.346 -10.862 -4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.062 -10.789 -4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.365 -12.075 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.774 -10.503 -1.217 1.00 0.00 H new ATOM 782 N PRO A 51 2.058 -7.537 -4.913 1.00 0.00 N ATOM 783 CA PRO A 51 1.925 -6.738 -6.131 1.00 0.00 C ATOM 784 C PRO A 51 1.953 -7.617 -7.390 1.00 0.00 C ATOM 785 O PRO A 51 2.098 -7.129 -8.510 1.00 0.00 O ATOM 786 CB PRO A 51 3.142 -5.800 -6.101 1.00 0.00 C ATOM 787 CG PRO A 51 3.769 -5.978 -4.754 1.00 0.00 C ATOM 788 CD PRO A 51 3.360 -7.339 -4.268 1.00 0.00 C ATOM 0 HA PRO A 51 0.976 -6.203 -6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.846 -6.049 -6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.840 -4.764 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.854 -5.899 -4.818 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.433 -5.203 -4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.077 -8.106 -4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.282 -7.374 -3.181 1.00 0.00 H new ATOM 796 N LYS A 52 1.797 -8.920 -7.176 1.00 0.00 N ATOM 797 CA LYS A 52 1.896 -9.922 -8.232 1.00 0.00 C ATOM 798 C LYS A 52 0.514 -10.363 -8.703 1.00 0.00 C ATOM 799 O LYS A 52 0.348 -10.871 -9.814 1.00 0.00 O ATOM 800 CB LYS A 52 2.628 -11.146 -7.678 1.00 0.00 C ATOM 801 CG LYS A 52 3.893 -10.812 -6.910 1.00 0.00 C ATOM 802 CD LYS A 52 4.422 -12.038 -6.183 1.00 0.00 C ATOM 803 CE LYS A 52 5.550 -11.682 -5.233 1.00 0.00 C ATOM 804 NZ LYS A 52 6.071 -12.876 -4.520 1.00 0.00 N ATOM 0 H LYS A 52 1.597 -9.313 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 52 2.433 -9.486 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.952 -11.696 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.881 -11.810 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.651 -10.435 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.689 -10.018 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.612 -12.509 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.776 -12.769 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.359 -11.210 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.196 -10.951 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.840 -12.591 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.305 -13.312 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.433 -13.563 -5.212 1.00 0.00 H new ATOM 818 N GLN A 53 -0.471 -10.151 -7.848 1.00 0.00 N ATOM 819 CA GLN A 53 -1.792 -10.742 -8.026 1.00 0.00 C ATOM 820 C GLN A 53 -2.832 -9.692 -8.401 1.00 0.00 C ATOM 821 O GLN A 53 -2.756 -8.541 -7.970 1.00 0.00 O ATOM 822 CB GLN A 53 -2.185 -11.477 -6.746 1.00 0.00 C ATOM 823 CG GLN A 53 -1.729 -10.745 -5.501 1.00 0.00 C ATOM 824 CD GLN A 53 -1.869 -11.551 -4.227 1.00 0.00 C ATOM 825 OE1 GLN A 53 -1.809 -12.778 -4.234 1.00 0.00 O ATOM 826 NE2 GLN A 53 -2.057 -10.855 -3.114 1.00 0.00 N ATOM 0 H GLN A 53 -0.382 -9.569 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.753 -11.451 -8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.268 -11.599 -6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.752 -12.477 -6.756 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.685 -10.456 -5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.305 -9.825 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.101 -9.837 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.158 -11.338 -2.221 1.00 0.00 H new ATOM 835 N THR A 54 -3.815 -10.114 -9.181 1.00 0.00 N ATOM 836 CA THR A 54 -4.773 -9.205 -9.784 1.00 0.00 C ATOM 837 C THR A 54 -5.804 -8.679 -8.794 1.00 0.00 C ATOM 838 O THR A 54 -6.240 -7.537 -8.917 1.00 0.00 O ATOM 839 CB THR A 54 -5.486 -9.872 -10.963 1.00 0.00 C ATOM 840 OG1 THR A 54 -5.679 -11.263 -10.686 1.00 0.00 O ATOM 841 CG2 THR A 54 -4.688 -9.701 -12.242 1.00 0.00 C ATOM 0 H THR A 54 -3.970 -11.095 -9.413 1.00 0.00 H new ATOM 0 HA THR A 54 -4.197 -8.350 -10.136 1.00 0.00 H new ATOM 0 HB THR A 54 -6.456 -9.393 -11.100 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.137 -11.687 -11.442 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.214 -10.183 -13.066 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.570 -8.639 -12.458 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.706 -10.158 -12.122 1.00 0.00 H new ATOM 849 N TRP A 55 -6.197 -9.491 -7.812 1.00 0.00 N ATOM 850 CA TRP A 55 -7.147 -9.024 -6.804 1.00 0.00 C ATOM 851 C TRP A 55 -6.549 -7.848 -6.050 1.00 0.00 C ATOM 852 O TRP A 55 -7.249 -6.919 -5.656 1.00 0.00 O ATOM 853 CB TRP A 55 -7.574 -10.141 -5.853 1.00 0.00 C ATOM 854 CG TRP A 55 -6.520 -10.569 -4.905 1.00 0.00 C ATOM 855 CD1 TRP A 55 -5.605 -11.531 -5.072 1.00 0.00 C ATOM 856 CD2 TRP A 55 -6.299 -10.041 -3.633 1.00 0.00 C ATOM 857 NE1 TRP A 55 -4.821 -11.639 -3.975 1.00 0.00 N ATOM 858 CE2 TRP A 55 -5.226 -10.727 -3.062 1.00 0.00 C ATOM 859 CE3 TRP A 55 -6.902 -9.053 -2.931 1.00 0.00 C ATOM 860 CZ2 TRP A 55 -4.753 -10.432 -1.791 1.00 0.00 C ATOM 861 CZ3 TRP A 55 -6.457 -8.762 -1.700 1.00 0.00 C ATOM 862 CH2 TRP A 55 -5.390 -9.439 -1.123 1.00 0.00 C ATOM 0 H TRP A 55 -5.881 -10.454 -7.694 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.053 -8.696 -7.313 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.443 -9.807 -5.286 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.889 -11.003 -6.441 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.506 -12.138 -5.960 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -4.052 -12.299 -3.856 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.730 -8.506 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.921 -10.966 -1.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.943 -7.977 -1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.064 -9.171 -0.129 1.00 0.00 H new ATOM 873 N VAL A 56 -5.237 -7.881 -5.900 1.00 0.00 N ATOM 874 CA VAL A 56 -4.511 -6.777 -5.318 1.00 0.00 C ATOM 875 C VAL A 56 -4.502 -5.595 -6.272 1.00 0.00 C ATOM 876 O VAL A 56 -4.866 -4.486 -5.895 1.00 0.00 O ATOM 877 CB VAL A 56 -3.069 -7.187 -4.986 1.00 0.00 C ATOM 878 CG1 VAL A 56 -2.186 -5.973 -4.808 1.00 0.00 C ATOM 879 CG2 VAL A 56 -3.052 -8.044 -3.741 1.00 0.00 C ATOM 0 H VAL A 56 -4.652 -8.670 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.012 -6.490 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.673 -7.766 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.171 -6.293 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.179 -5.390 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.570 -5.360 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.026 -8.331 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.467 -7.480 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.651 -8.939 -3.907 1.00 0.00 H new ATOM 889 N LYS A 57 -4.109 -5.853 -7.514 1.00 0.00 N ATOM 890 CA LYS A 57 -4.031 -4.810 -8.528 1.00 0.00 C ATOM 891 C LYS A 57 -5.383 -4.134 -8.720 1.00 0.00 C ATOM 892 O LYS A 57 -5.455 -2.944 -9.010 1.00 0.00 O ATOM 893 CB LYS A 57 -3.523 -5.386 -9.848 1.00 0.00 C ATOM 894 CG LYS A 57 -2.163 -6.047 -9.716 1.00 0.00 C ATOM 895 CD LYS A 57 -1.611 -6.501 -11.051 1.00 0.00 C ATOM 896 CE LYS A 57 -0.214 -7.094 -10.897 1.00 0.00 C ATOM 897 NZ LYS A 57 0.324 -7.596 -12.185 1.00 0.00 N ATOM 0 H LYS A 57 -3.839 -6.780 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.324 -4.055 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.242 -6.115 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.464 -4.588 -10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.465 -5.348 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.242 -6.904 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.278 -7.243 -11.490 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.577 -5.657 -11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.459 -6.337 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.244 -7.910 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.275 -7.990 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.303 -8.337 -12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.378 -6.813 -12.867 1.00 0.00 H new ATOM 911 N TYR A 58 -6.450 -4.890 -8.540 1.00 0.00 N ATOM 912 CA TYR A 58 -7.783 -4.340 -8.597 1.00 0.00 C ATOM 913 C TYR A 58 -8.025 -3.405 -7.411 1.00 0.00 C ATOM 914 O TYR A 58 -8.345 -2.225 -7.596 1.00 0.00 O ATOM 915 CB TYR A 58 -8.817 -5.467 -8.612 1.00 0.00 C ATOM 916 CG TYR A 58 -10.214 -5.005 -8.293 1.00 0.00 C ATOM 917 CD1 TYR A 58 -10.838 -4.033 -9.062 1.00 0.00 C ATOM 918 CD2 TYR A 58 -10.902 -5.533 -7.213 1.00 0.00 C ATOM 919 CE1 TYR A 58 -12.111 -3.599 -8.760 1.00 0.00 C ATOM 920 CE2 TYR A 58 -12.174 -5.107 -6.903 1.00 0.00 C ATOM 921 CZ TYR A 58 -12.778 -4.141 -7.680 1.00 0.00 C ATOM 922 OH TYR A 58 -14.049 -3.708 -7.372 1.00 0.00 O ATOM 0 H TYR A 58 -6.414 -5.892 -8.352 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.885 -3.762 -9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.814 -5.939 -9.595 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.522 -6.230 -7.892 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.319 -3.610 -9.909 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.433 -6.291 -6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.584 -2.839 -9.365 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.696 -5.527 -6.056 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.377 -4.191 -6.585 1.00 0.00 H new ATOM 932 N ILE A 59 -7.845 -3.928 -6.199 1.00 0.00 N ATOM 933 CA ILE A 59 -8.111 -3.156 -4.991 1.00 0.00 C ATOM 934 C ILE A 59 -7.218 -1.914 -4.919 1.00 0.00 C ATOM 935 O ILE A 59 -7.691 -0.822 -4.610 1.00 0.00 O ATOM 936 CB ILE A 59 -7.930 -4.000 -3.707 1.00 0.00 C ATOM 937 CG1 ILE A 59 -8.841 -5.223 -3.739 1.00 0.00 C ATOM 938 CG2 ILE A 59 -8.241 -3.168 -2.476 1.00 0.00 C ATOM 939 CD1 ILE A 59 -8.633 -6.165 -2.576 1.00 0.00 C ATOM 0 H ILE A 59 -7.517 -4.879 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.154 -2.844 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.892 -4.330 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.879 -4.892 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.674 -5.766 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.109 -3.777 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.567 -2.313 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.271 -2.816 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.315 -7.011 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.605 -6.526 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.829 -5.639 -1.642 1.00 0.00 H new ATOM 951 N VAL A 60 -5.937 -2.078 -5.244 1.00 0.00 N ATOM 952 CA VAL A 60 -4.976 -0.982 -5.144 1.00 0.00 C ATOM 953 C VAL A 60 -5.304 0.139 -6.132 1.00 0.00 C ATOM 954 O VAL A 60 -5.121 1.311 -5.820 1.00 0.00 O ATOM 955 CB VAL A 60 -3.513 -1.463 -5.346 1.00 0.00 C ATOM 956 CG1 VAL A 60 -3.281 -1.992 -6.751 1.00 0.00 C ATOM 957 CG2 VAL A 60 -2.525 -0.350 -5.039 1.00 0.00 C ATOM 0 H VAL A 60 -5.542 -2.957 -5.578 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.060 -0.589 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.349 -2.282 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.246 -2.318 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.946 -2.835 -6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.484 -1.203 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.509 -0.714 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.710 0.494 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.647 -0.030 -4.004 1.00 0.00 H new ATOM 967 N ARG A 61 -5.811 -0.215 -7.312 1.00 0.00 N ATOM 968 CA ARG A 61 -6.173 0.796 -8.300 1.00 0.00 C ATOM 969 C ARG A 61 -7.378 1.606 -7.836 1.00 0.00 C ATOM 970 O ARG A 61 -7.482 2.795 -8.133 1.00 0.00 O ATOM 971 CB ARG A 61 -6.459 0.162 -9.660 1.00 0.00 C ATOM 972 CG ARG A 61 -5.204 -0.236 -10.422 1.00 0.00 C ATOM 973 CD ARG A 61 -5.543 -0.894 -11.751 1.00 0.00 C ATOM 974 NE ARG A 61 -6.301 -2.130 -11.572 1.00 0.00 N ATOM 975 CZ ARG A 61 -7.137 -2.628 -12.486 1.00 0.00 C ATOM 976 NH1 ARG A 61 -7.323 -1.992 -13.638 1.00 0.00 N ATOM 977 NH2 ARG A 61 -7.783 -3.765 -12.253 1.00 0.00 N ATOM 0 H ARG A 61 -5.978 -1.178 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.322 1.468 -8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.082 -0.721 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.034 0.863 -10.265 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.589 0.647 -10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.611 -0.922 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.120 -0.200 -12.362 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.623 -1.108 -12.295 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.185 -2.642 -10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.826 -1.121 -13.826 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.962 -2.375 -14.334 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.641 -4.261 -11.373 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.421 -4.142 -12.954 1.00 0.00 H new ATOM 991 N LEU A 62 -8.283 0.965 -7.106 1.00 0.00 N ATOM 992 CA LEU A 62 -9.441 1.662 -6.557 1.00 0.00 C ATOM 993 C LEU A 62 -9.049 2.472 -5.327 1.00 0.00 C ATOM 994 O LEU A 62 -9.599 3.542 -5.069 1.00 0.00 O ATOM 995 CB LEU A 62 -10.557 0.676 -6.205 1.00 0.00 C ATOM 996 CG LEU A 62 -11.272 0.051 -7.400 1.00 0.00 C ATOM 997 CD1 LEU A 62 -12.453 -0.770 -6.926 1.00 0.00 C ATOM 998 CD2 LEU A 62 -11.720 1.121 -8.388 1.00 0.00 C ATOM 0 H LEU A 62 -8.239 -0.029 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.813 2.345 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.135 -0.123 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.294 1.191 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.573 -0.607 -7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.957 -1.212 -7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.103 -1.562 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.150 -0.128 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.227 0.649 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.404 1.810 -7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.850 1.670 -8.749 1.00 0.00 H new ATOM 1010 N LEU A 63 -8.089 1.957 -4.570 1.00 0.00 N ATOM 1011 CA LEU A 63 -7.613 2.631 -3.373 1.00 0.00 C ATOM 1012 C LEU A 63 -6.646 3.754 -3.727 1.00 0.00 C ATOM 1013 O LEU A 63 -6.302 4.586 -2.886 1.00 0.00 O ATOM 1014 CB LEU A 63 -6.967 1.628 -2.430 1.00 0.00 C ATOM 1015 CG LEU A 63 -7.960 0.641 -1.803 1.00 0.00 C ATOM 1016 CD1 LEU A 63 -7.254 -0.350 -0.902 1.00 0.00 C ATOM 1017 CD2 LEU A 63 -9.035 1.388 -1.026 1.00 0.00 C ATOM 0 H LEU A 63 -7.624 1.071 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.466 3.081 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.207 1.068 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.455 2.169 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.433 0.084 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.984 -1.036 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.524 -0.914 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.744 0.185 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.731 0.672 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.570 1.974 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.575 2.053 -1.700 1.00 0.00 H new ATOM 1029 N SER A 64 -6.210 3.763 -4.973 1.00 0.00 N ATOM 1030 CA SER A 64 -5.405 4.849 -5.496 1.00 0.00 C ATOM 1031 C SER A 64 -6.111 5.476 -6.693 1.00 0.00 C ATOM 1032 O SER A 64 -5.669 5.332 -7.835 1.00 0.00 O ATOM 1033 CB SER A 64 -4.014 4.345 -5.900 1.00 0.00 C ATOM 1034 OG SER A 64 -3.379 3.674 -4.822 1.00 0.00 O ATOM 0 H SER A 64 -6.403 3.022 -5.647 1.00 0.00 H new ATOM 0 HA SER A 64 -5.279 5.603 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.102 3.670 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.399 5.185 -6.222 1.00 0.00 H new ATOM 0 HG SER A 64 -3.904 3.799 -4.004 1.00 0.00 H new ATOM 1040 N LYS A 65 -7.243 6.122 -6.420 1.00 0.00 N ATOM 1041 CA LYS A 65 -8.037 6.780 -7.460 1.00 0.00 C ATOM 1042 C LYS A 65 -7.236 7.867 -8.173 1.00 0.00 C ATOM 1043 O LYS A 65 -7.276 9.036 -7.789 1.00 0.00 O ATOM 1044 CB LYS A 65 -9.314 7.400 -6.877 1.00 0.00 C ATOM 1045 CG LYS A 65 -10.249 6.403 -6.212 1.00 0.00 C ATOM 1046 CD LYS A 65 -11.487 7.083 -5.639 1.00 0.00 C ATOM 1047 CE LYS A 65 -12.457 7.535 -6.730 1.00 0.00 C ATOM 1048 NZ LYS A 65 -13.650 8.231 -6.167 1.00 0.00 N ATOM 0 H LYS A 65 -7.634 6.205 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.308 6.009 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.034 8.160 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.854 7.909 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.552 5.649 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.718 5.883 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.997 6.395 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.183 7.945 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.941 8.202 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.782 6.669 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.281 8.520 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.159 7.587 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.344 9.072 -5.638 1.00 0.00 H new ATOM 1062 N LYS A 66 -6.496 7.474 -9.200 1.00 0.00 N ATOM 1063 CA LYS A 66 -5.756 8.422 -10.014 1.00 0.00 C ATOM 1064 C LYS A 66 -6.497 8.686 -11.316 1.00 0.00 C ATOM 1065 O LYS A 66 -5.955 9.265 -12.250 1.00 0.00 O ATOM 1066 CB LYS A 66 -4.329 7.931 -10.289 1.00 0.00 C ATOM 1067 CG LYS A 66 -4.247 6.584 -11.000 1.00 0.00 C ATOM 1068 CD LYS A 66 -2.808 6.233 -11.354 1.00 0.00 C ATOM 1069 CE LYS A 66 -1.944 6.109 -10.111 1.00 0.00 C ATOM 1070 NZ LYS A 66 -0.508 5.944 -10.452 1.00 0.00 N ATOM 0 H LYS A 66 -6.393 6.501 -9.488 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.678 9.357 -9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.812 8.677 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.794 7.860 -9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.667 5.807 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.851 6.612 -11.907 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.787 5.295 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.396 7.000 -12.010 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.071 6.996 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.278 5.256 -9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.049 5.863 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.383 5.084 -11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.183 6.770 -10.994 1.00 0.00 H new ATOM 1084 N VAL A 67 -7.757 8.276 -11.350 1.00 0.00 N ATOM 1085 CA VAL A 67 -8.621 8.547 -12.492 1.00 0.00 C ATOM 1086 C VAL A 67 -9.253 9.929 -12.352 1.00 0.00 C ATOM 1087 O VAL A 67 -10.211 10.271 -13.045 1.00 0.00 O ATOM 1088 CB VAL A 67 -9.736 7.484 -12.625 1.00 0.00 C ATOM 1089 CG1 VAL A 67 -9.140 6.112 -12.899 1.00 0.00 C ATOM 1090 CG2 VAL A 67 -10.601 7.447 -11.371 1.00 0.00 C ATOM 0 H VAL A 67 -8.205 7.753 -10.598 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.004 8.510 -13.390 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.368 7.761 -13.469 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.941 5.379 -12.989 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.569 6.142 -13.827 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.481 5.831 -12.077 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.379 6.692 -11.487 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.982 7.200 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.063 8.423 -11.218 1.00 0.00 H new ATOM 1100 N LYS A 68 -8.701 10.714 -11.436 1.00 0.00 N ATOM 1101 CA LYS A 68 -9.200 12.050 -11.150 1.00 0.00 C ATOM 1102 C LYS A 68 -8.294 13.102 -11.774 1.00 0.00 C ATOM 1103 O LYS A 68 -8.701 14.245 -11.976 1.00 0.00 O ATOM 1104 CB LYS A 68 -9.277 12.258 -9.637 1.00 0.00 C ATOM 1105 CG LYS A 68 -10.147 11.231 -8.930 1.00 0.00 C ATOM 1106 CD LYS A 68 -10.025 11.333 -7.419 1.00 0.00 C ATOM 1107 CE LYS A 68 -10.383 12.721 -6.920 1.00 0.00 C ATOM 1108 NZ LYS A 68 -10.215 12.840 -5.448 1.00 0.00 N ATOM 0 H LYS A 68 -7.896 10.442 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.196 12.153 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.270 12.219 -9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.667 13.255 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.188 11.374 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.861 10.229 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.679 10.598 -6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.006 11.090 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.755 13.459 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.415 12.948 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.469 13.802 -5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.833 12.153 -4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.225 12.648 -5.195 1.00 0.00 H new ATOM 1122 N ASN A 69 -7.066 12.709 -12.081 1.00 0.00 N ATOM 1123 CA ASN A 69 -6.096 13.631 -12.654 1.00 0.00 C ATOM 1124 C ASN A 69 -5.819 13.283 -14.109 1.00 0.00 C ATOM 1125 O ASN A 69 -6.318 12.279 -14.619 1.00 0.00 O ATOM 1126 CB ASN A 69 -4.787 13.639 -11.837 1.00 0.00 C ATOM 1127 CG ASN A 69 -4.107 12.275 -11.693 1.00 0.00 C ATOM 1128 OD1 ASN A 69 -3.493 11.990 -10.662 1.00 0.00 O ATOM 1129 ND2 ASN A 69 -4.172 11.429 -12.712 1.00 0.00 N ATOM 0 H ASN A 69 -6.718 11.760 -11.943 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.522 14.634 -12.615 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.087 14.330 -12.307 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.000 14.029 -10.842 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.709 10.522 -12.652 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.685 11.685 -13.555 1.00 0.00 H new ATOM 1136 N MET A 70 -5.013 14.097 -14.761 1.00 0.00 N ATOM 1137 CA MET A 70 -4.612 13.833 -16.128 1.00 0.00 C ATOM 1138 C MET A 70 -3.124 14.090 -16.280 1.00 0.00 C ATOM 1139 O MET A 70 -2.366 13.116 -16.447 1.00 0.00 O ATOM 1140 CB MET A 70 -5.401 14.702 -17.105 1.00 0.00 C ATOM 1141 CG MET A 70 -5.082 14.407 -18.560 1.00 0.00 C ATOM 1142 SD MET A 70 -5.346 12.674 -18.989 1.00 0.00 S ATOM 1143 CE MET A 70 -7.100 12.501 -18.664 1.00 0.00 C ATOM 1144 OXT MET A 70 -2.717 15.265 -16.158 1.00 0.00 O ATOM 0 H MET A 70 -4.621 14.951 -14.364 1.00 0.00 H new ATOM 0 HA MET A 70 -4.824 12.789 -16.359 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.467 14.551 -16.936 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.191 15.752 -16.899 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.703 15.035 -19.199 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.045 14.674 -18.762 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.467 11.584 -19.125 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.268 12.459 -17.588 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.633 13.355 -19.082 1.00 0.00 H new TER 1154 MET A 70