USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 168 CYS SG : rot -149:sc= 0.271 USER MOD Set 1.2: A 171 CYS SG : rot 160:sc= 0.297 USER MOD Set 1.3: A 175 HIS : no HD1:sc= -0.0551 X(o=0.51,f=0.3) USER MOD Set 2.1: A 156 THR OG1 : rot 180:sc= 0.0284 USER MOD Set 2.2: A 157 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 143 HIS : no HE2:sc= -2.34 K(o=-1.3,f=-2.8!) USER MOD Set 3.2: A 153 SER OG : rot -71:sc= 1 USER MOD Single : A 126 CYS SG : rot 180:sc= 0.00797 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 131 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.2!) USER MOD Single : A 137 SER OG : rot -107:sc= 0.238 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00228) USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= -0.391 K(o=-0.39,f=-1.3) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl -110:sc= -0.0272 (180deg=-2.05!) USER MOD Single : A 165 GLN : amide:sc= -1.59 K(o=-1.6,f=-7!) USER MOD Single : A 169 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.061) USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 172 SER OG : rot 49:sc= 0.0898 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.303 14.655 -6.949 1.00 0.00 N ATOM 2 CA ALA A 124 1.568 14.077 -5.794 1.00 0.00 C ATOM 3 C ALA A 124 0.810 12.818 -6.201 1.00 0.00 C ATOM 4 O ALA A 124 0.043 12.827 -7.164 1.00 0.00 O ATOM 5 CB ALA A 124 0.608 15.104 -5.213 1.00 0.00 C ATOM 0 HA ALA A 124 2.297 13.803 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.076 14.667 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.168 15.977 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.109 15.405 -5.977 1.00 0.00 H new ATOM 11 N ILE A 125 1.034 11.737 -5.463 1.00 0.00 N ATOM 12 CA ILE A 125 0.372 10.467 -5.747 1.00 0.00 C ATOM 13 C ILE A 125 -0.585 10.084 -4.623 1.00 0.00 C ATOM 14 O ILE A 125 -0.416 10.509 -3.480 1.00 0.00 O ATOM 15 CB ILE A 125 1.396 9.334 -5.947 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.494 9.772 -6.917 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.703 8.078 -6.457 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.617 8.767 -7.053 1.00 0.00 C ATOM 0 H ILE A 125 1.668 11.713 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.193 10.602 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 125 1.857 9.108 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.052 9.946 -7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.907 10.723 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.439 7.286 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.046 7.756 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.219 8.291 -7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.359 9.144 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.085 8.610 -6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.217 7.822 -7.420 1.00 0.00 H new ATOM 30 N CYS A 126 -1.590 9.280 -4.954 1.00 0.00 N ATOM 31 CA CYS A 126 -2.574 8.841 -3.971 1.00 0.00 C ATOM 32 C CYS A 126 -2.460 7.341 -3.717 1.00 0.00 C ATOM 33 O CYS A 126 -1.978 6.591 -4.566 1.00 0.00 O ATOM 34 CB CYS A 126 -3.987 9.184 -4.445 1.00 0.00 C ATOM 35 SG CYS A 126 -4.446 8.413 -6.015 1.00 0.00 S ATOM 0 H CYS A 126 -1.745 8.919 -5.895 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.374 9.365 -3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.700 8.877 -3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.073 10.266 -4.545 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.658 8.761 -6.331 1.00 0.00 H new ATOM 41 N CYS A 127 -2.908 6.912 -2.542 1.00 0.00 N ATOM 42 CA CYS A 127 -2.858 5.502 -2.171 1.00 0.00 C ATOM 43 C CYS A 127 -3.836 4.683 -3.009 1.00 0.00 C ATOM 44 O CYS A 127 -5.025 4.996 -3.074 1.00 0.00 O ATOM 45 CB CYS A 127 -3.180 5.337 -0.685 1.00 0.00 C ATOM 46 SG CYS A 127 -2.716 3.728 0.000 1.00 0.00 S ATOM 0 H CYS A 127 -3.310 7.521 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.850 5.135 -2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.668 6.119 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.249 5.487 -0.538 1.00 0.00 H new ATOM 51 N GLN A 128 -3.328 3.631 -3.648 1.00 0.00 N ATOM 52 CA GLN A 128 -4.161 2.768 -4.480 1.00 0.00 C ATOM 53 C GLN A 128 -5.304 2.167 -3.667 1.00 0.00 C ATOM 54 O GLN A 128 -6.364 1.851 -4.208 1.00 0.00 O ATOM 55 CB GLN A 128 -3.319 1.648 -5.095 1.00 0.00 C ATOM 56 CG GLN A 128 -2.059 2.141 -5.787 1.00 0.00 C ATOM 57 CD GLN A 128 -1.749 1.367 -7.054 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.488 1.440 -8.036 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.650 0.621 -7.036 1.00 0.00 N ATOM 0 H GLN A 128 -2.346 3.357 -3.605 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.585 3.377 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.041 0.943 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.928 1.101 -5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.172 3.198 -6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -1.216 2.060 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.067 0.591 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.389 0.078 -7.859 1.00 0.00 H new ATOM 68 N VAL A 129 -5.080 2.013 -2.365 1.00 0.00 N ATOM 69 CA VAL A 129 -6.089 1.449 -1.475 1.00 0.00 C ATOM 70 C VAL A 129 -7.381 2.260 -1.527 1.00 0.00 C ATOM 71 O VAL A 129 -7.398 3.443 -1.187 1.00 0.00 O ATOM 72 CB VAL A 129 -5.584 1.393 -0.021 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.582 0.667 0.867 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.218 0.724 0.048 1.00 0.00 C ATOM 0 H VAL A 129 -4.208 2.271 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.288 0.434 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.483 2.415 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.206 0.639 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.537 1.192 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.720 -0.351 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.879 0.695 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.291 -0.292 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.505 1.290 -0.551 1.00 0.00 H new ATOM 84 N ASP A 130 -8.462 1.613 -1.955 1.00 0.00 N ATOM 85 CA ASP A 130 -9.762 2.270 -2.053 1.00 0.00 C ATOM 86 C ASP A 130 -10.154 2.913 -0.726 1.00 0.00 C ATOM 87 O ASP A 130 -10.260 4.135 -0.625 1.00 0.00 O ATOM 88 CB ASP A 130 -10.833 1.264 -2.480 1.00 0.00 C ATOM 89 CG ASP A 130 -12.119 1.935 -2.915 1.00 0.00 C ATOM 90 OD1 ASP A 130 -12.044 2.919 -3.682 1.00 0.00 O ATOM 91 OD2 ASP A 130 -13.202 1.479 -2.492 1.00 0.00 O ATOM 0 H ASP A 130 -8.463 0.634 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.686 3.055 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.449 0.656 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.042 0.587 -1.651 1.00 0.00 H new ATOM 96 N ASN A 131 -10.368 2.082 0.289 1.00 0.00 N ATOM 97 CA ASN A 131 -10.747 2.571 1.608 1.00 0.00 C ATOM 98 C ASN A 131 -9.573 3.272 2.287 1.00 0.00 C ATOM 99 O ASN A 131 -9.063 2.808 3.307 1.00 0.00 O ATOM 100 CB ASN A 131 -11.241 1.414 2.480 1.00 0.00 C ATOM 101 CG ASN A 131 -12.737 1.199 2.363 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.480 2.106 1.984 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.189 -0.007 2.686 1.00 0.00 N ATOM 0 H ASN A 131 -10.285 1.068 0.223 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.554 3.293 1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -10.722 0.499 2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -10.986 1.613 3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.187 -0.211 2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.539 -0.729 2.995 1.00 0.00 H new ATOM 110 N CYS A 132 -9.146 4.392 1.710 1.00 0.00 N ATOM 111 CA CYS A 132 -8.031 5.155 2.257 1.00 0.00 C ATOM 112 C CYS A 132 -8.069 6.600 1.770 1.00 0.00 C ATOM 113 O CYS A 132 -8.278 7.526 2.556 1.00 0.00 O ATOM 114 CB CYS A 132 -6.702 4.507 1.867 1.00 0.00 C ATOM 115 SG CYS A 132 -5.276 5.133 2.786 1.00 0.00 S ATOM 0 H CYS A 132 -9.555 4.790 0.865 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.122 5.155 3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -6.776 3.431 2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.532 4.665 0.802 1.00 0.00 H new ATOM 120 N GLY A 133 -7.862 6.787 0.471 1.00 0.00 N ATOM 121 CA GLY A 133 -7.875 8.123 -0.098 1.00 0.00 C ATOM 122 C GLY A 133 -6.834 9.028 0.533 1.00 0.00 C ATOM 123 O GLY A 133 -7.012 10.246 0.587 1.00 0.00 O ATOM 0 H GLY A 133 -7.685 6.038 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.696 8.060 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.864 8.562 0.035 1.00 0.00 H new ATOM 127 N ALA A 134 -5.748 8.432 1.013 1.00 0.00 N ATOM 128 CA ALA A 134 -4.675 9.191 1.644 1.00 0.00 C ATOM 129 C ALA A 134 -3.873 9.972 0.610 1.00 0.00 C ATOM 130 O ALA A 134 -4.012 9.756 -0.593 1.00 0.00 O ATOM 131 CB ALA A 134 -3.764 8.258 2.426 1.00 0.00 C ATOM 0 H ALA A 134 -5.588 7.425 0.977 1.00 0.00 H new ATOM 0 HA ALA A 134 -5.124 9.907 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.966 8.835 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.341 7.747 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.330 7.521 1.750 1.00 0.00 H new ATOM 137 N ASP A 135 -3.030 10.883 1.089 1.00 0.00 N ATOM 138 CA ASP A 135 -2.203 11.697 0.207 1.00 0.00 C ATOM 139 C ASP A 135 -0.725 11.368 0.394 1.00 0.00 C ATOM 140 O ASP A 135 -0.220 11.349 1.516 1.00 0.00 O ATOM 141 CB ASP A 135 -2.444 13.184 0.476 1.00 0.00 C ATOM 142 CG ASP A 135 -2.387 14.017 -0.789 1.00 0.00 C ATOM 143 OD1 ASP A 135 -3.412 14.087 -1.499 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.318 14.599 -1.069 1.00 0.00 O ATOM 0 H ASP A 135 -2.903 11.075 2.083 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.481 11.472 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.418 13.312 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.697 13.548 1.182 1.00 0.00 H new ATOM 149 N LEU A 136 -0.037 11.111 -0.714 1.00 0.00 N ATOM 150 CA LEU A 136 1.384 10.784 -0.671 1.00 0.00 C ATOM 151 C LEU A 136 2.235 12.021 -0.937 1.00 0.00 C ATOM 152 O LEU A 136 3.245 11.954 -1.639 1.00 0.00 O ATOM 153 CB LEU A 136 1.709 9.695 -1.696 1.00 0.00 C ATOM 154 CG LEU A 136 0.802 8.464 -1.641 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.047 7.566 -2.845 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.026 7.695 -0.348 1.00 0.00 C ATOM 0 H LEU A 136 -0.440 11.123 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 136 1.617 10.414 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.649 10.128 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.740 9.375 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.235 8.799 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.393 6.696 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.837 8.119 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.087 7.239 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.373 6.823 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.065 7.372 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.801 8.339 0.502 1.00 0.00 H new ATOM 168 N SER A 137 1.823 13.150 -0.370 1.00 0.00 N ATOM 169 CA SER A 137 2.547 14.403 -0.544 1.00 0.00 C ATOM 170 C SER A 137 3.485 14.656 0.631 1.00 0.00 C ATOM 171 O SER A 137 4.547 15.259 0.472 1.00 0.00 O ATOM 172 CB SER A 137 1.565 15.568 -0.689 1.00 0.00 C ATOM 173 OG SER A 137 0.856 15.788 0.518 1.00 0.00 O ATOM 0 H SER A 137 0.990 13.222 0.215 1.00 0.00 H new ATOM 0 HA SER A 137 3.144 14.326 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 137 2.107 16.472 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 137 0.862 15.357 -1.495 1.00 0.00 H new ATOM 0 HG SER A 137 -0.070 15.485 0.413 1.00 0.00 H new ATOM 179 N LYS A 138 3.087 14.191 1.809 1.00 0.00 N ATOM 180 CA LYS A 138 3.890 14.365 3.013 1.00 0.00 C ATOM 181 C LYS A 138 5.060 13.385 3.036 1.00 0.00 C ATOM 182 O LYS A 138 6.125 13.688 3.573 1.00 0.00 O ATOM 183 CB LYS A 138 3.025 14.173 4.259 1.00 0.00 C ATOM 184 CG LYS A 138 3.494 14.984 5.457 1.00 0.00 C ATOM 185 CD LYS A 138 2.866 14.484 6.747 1.00 0.00 C ATOM 186 CE LYS A 138 3.853 14.530 7.902 1.00 0.00 C ATOM 187 NZ LYS A 138 3.389 13.721 9.063 1.00 0.00 N ATOM 0 H LYS A 138 2.211 13.690 1.956 1.00 0.00 H new ATOM 0 HA LYS A 138 4.290 15.379 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 138 1.997 14.449 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.018 13.116 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.580 14.927 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.239 16.034 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 138 1.994 15.092 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.513 13.462 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.822 14.160 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.997 15.564 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.090 13.779 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 2.477 14.089 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.276 12.729 8.772 1.00 0.00 H new ATOM 201 N VAL A 139 4.852 12.209 2.451 1.00 0.00 N ATOM 202 CA VAL A 139 5.888 11.185 2.404 1.00 0.00 C ATOM 203 C VAL A 139 7.084 11.645 1.576 1.00 0.00 C ATOM 204 O VAL A 139 7.088 12.748 1.034 1.00 0.00 O ATOM 205 CB VAL A 139 5.349 9.868 1.817 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.333 9.240 2.758 1.00 0.00 C ATOM 207 CG2 VAL A 139 4.740 10.107 0.443 1.00 0.00 C ATOM 0 H VAL A 139 3.975 11.943 2.003 1.00 0.00 H new ATOM 0 HA VAL A 139 6.207 11.014 3.432 1.00 0.00 H new ATOM 0 HB VAL A 139 6.181 9.173 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 139 3.963 8.310 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.806 9.032 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.500 9.928 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.364 9.165 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 139 3.919 10.819 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 139 5.500 10.508 -0.227 1.00 0.00 H new ATOM 217 N LYS A 140 8.097 10.789 1.487 1.00 0.00 N ATOM 218 CA LYS A 140 9.300 11.106 0.725 1.00 0.00 C ATOM 219 C LYS A 140 9.524 10.087 -0.387 1.00 0.00 C ATOM 220 O LYS A 140 9.231 10.350 -1.554 1.00 0.00 O ATOM 221 CB LYS A 140 10.518 11.148 1.651 1.00 0.00 C ATOM 222 CG LYS A 140 10.531 12.348 2.585 1.00 0.00 C ATOM 223 CD LYS A 140 11.501 13.416 2.108 1.00 0.00 C ATOM 224 CE LYS A 140 11.572 14.578 3.086 1.00 0.00 C ATOM 225 NZ LYS A 140 10.345 15.418 3.040 1.00 0.00 N ATOM 0 H LYS A 140 8.109 9.872 1.932 1.00 0.00 H new ATOM 0 HA LYS A 140 9.165 12.087 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.544 10.235 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.424 11.160 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 140 9.528 12.770 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 140 10.808 12.026 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 140 12.493 12.980 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 140 11.190 13.781 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 140 11.711 14.194 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 140 12.442 15.193 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 10.440 16.209 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 10.216 15.792 2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 9.520 14.842 3.301 1.00 0.00 H new ATOM 239 N ASP A 141 10.045 8.924 -0.015 1.00 0.00 N ATOM 240 CA ASP A 141 10.310 7.861 -0.977 1.00 0.00 C ATOM 241 C ASP A 141 9.789 6.522 -0.466 1.00 0.00 C ATOM 242 O ASP A 141 9.159 6.452 0.589 1.00 0.00 O ATOM 243 CB ASP A 141 11.810 7.764 -1.261 1.00 0.00 C ATOM 244 CG ASP A 141 12.222 8.564 -2.482 1.00 0.00 C ATOM 245 OD1 ASP A 141 12.454 9.783 -2.342 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.311 7.972 -3.577 1.00 0.00 O ATOM 0 H ASP A 141 10.293 8.693 0.947 1.00 0.00 H new ATOM 0 HA ASP A 141 9.787 8.104 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.365 8.120 -0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.082 6.719 -1.406 1.00 0.00 H new ATOM 251 N TYR A 142 10.060 5.459 -1.221 1.00 0.00 N ATOM 252 CA TYR A 142 9.620 4.118 -0.847 1.00 0.00 C ATOM 253 C TYR A 142 8.103 3.989 -0.956 1.00 0.00 C ATOM 254 O TYR A 142 7.591 3.251 -1.797 1.00 0.00 O ATOM 255 CB TYR A 142 10.073 3.782 0.577 1.00 0.00 C ATOM 256 CG TYR A 142 10.143 2.297 0.856 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.011 1.497 0.765 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.344 1.694 1.210 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.074 0.141 1.020 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.415 0.339 1.465 1.00 0.00 C ATOM 261 CZ TYR A 142 10.277 -0.434 1.368 1.00 0.00 C ATOM 262 OH TYR A 142 10.343 -1.785 1.623 1.00 0.00 O ATOM 0 H TYR A 142 10.583 5.501 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 142 10.076 3.411 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.055 4.222 0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.387 4.244 1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.066 1.943 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.237 2.296 1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.184 -0.466 0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 142 12.357 -0.113 1.739 1.00 0.00 H new ATOM 0 HH TYR A 142 11.264 -2.030 1.853 1.00 0.00 H new ATOM 272 N HIS A 143 7.390 4.713 -0.100 1.00 0.00 N ATOM 273 CA HIS A 143 5.931 4.681 -0.100 1.00 0.00 C ATOM 274 C HIS A 143 5.370 5.442 -1.297 1.00 0.00 C ATOM 275 O HIS A 143 4.290 5.126 -1.794 1.00 0.00 O ATOM 276 CB HIS A 143 5.387 5.273 1.200 1.00 0.00 C ATOM 277 CG HIS A 143 5.706 4.454 2.411 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.082 5.008 3.617 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.703 3.113 2.599 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.297 4.043 4.494 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.074 2.884 3.903 1.00 0.00 N ATOM 0 H HIS A 143 7.798 5.329 0.603 1.00 0.00 H new ATOM 0 HA HIS A 143 5.615 3.641 -0.175 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.795 6.275 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.305 5.378 1.117 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.179 6.006 3.803 1.00 0.00 H new ATOM 0 HD2 HIS A 143 5.455 2.363 1.862 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.603 4.180 5.521 1.00 0.00 H new ATOM 289 N ARG A 144 6.109 6.449 -1.753 1.00 0.00 N ATOM 290 CA ARG A 144 5.683 7.256 -2.890 1.00 0.00 C ATOM 291 C ARG A 144 6.343 6.773 -4.180 1.00 0.00 C ATOM 292 O ARG A 144 6.704 7.574 -5.041 1.00 0.00 O ATOM 293 CB ARG A 144 6.016 8.730 -2.649 1.00 0.00 C ATOM 294 CG ARG A 144 4.860 9.672 -2.951 1.00 0.00 C ATOM 295 CD ARG A 144 5.106 10.475 -4.219 1.00 0.00 C ATOM 296 NE ARG A 144 5.333 11.890 -3.938 1.00 0.00 N ATOM 297 CZ ARG A 144 5.344 12.839 -4.871 1.00 0.00 C ATOM 298 NH1 ARG A 144 5.145 12.528 -6.146 1.00 0.00 N ATOM 299 NH2 ARG A 144 5.554 14.102 -4.529 1.00 0.00 N ATOM 0 H ARG A 144 7.005 6.725 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 144 4.604 7.149 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.318 8.861 -1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.870 9.007 -3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 144 3.940 9.097 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 144 4.716 10.352 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 144 5.970 10.067 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 144 4.250 10.371 -4.885 1.00 0.00 H new ATOM 0 HE ARG A 144 5.493 12.167 -2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 144 4.983 11.558 -6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 144 5.154 13.259 -6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 144 5.707 14.347 -3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 144 5.562 14.829 -5.244 1.00 0.00 H new ATOM 313 N ARG A 145 6.495 5.458 -4.304 1.00 0.00 N ATOM 314 CA ARG A 145 7.111 4.868 -5.488 1.00 0.00 C ATOM 315 C ARG A 145 6.117 3.977 -6.229 1.00 0.00 C ATOM 316 O ARG A 145 6.071 3.975 -7.458 1.00 0.00 O ATOM 317 CB ARG A 145 8.348 4.056 -5.094 1.00 0.00 C ATOM 318 CG ARG A 145 9.577 4.380 -5.929 1.00 0.00 C ATOM 319 CD ARG A 145 10.630 3.288 -5.818 1.00 0.00 C ATOM 320 NE ARG A 145 11.425 3.414 -4.599 1.00 0.00 N ATOM 321 CZ ARG A 145 12.171 2.434 -4.097 1.00 0.00 C ATOM 322 NH1 ARG A 145 12.230 1.255 -4.705 1.00 0.00 N ATOM 323 NH2 ARG A 145 12.864 2.632 -2.983 1.00 0.00 N ATOM 0 H ARG A 145 6.200 4.781 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 145 7.414 5.677 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.574 4.239 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.122 2.994 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 145 9.287 4.503 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 145 10.000 5.330 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.143 2.313 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 145 11.288 3.330 -6.686 1.00 0.00 H new ATOM 0 HE ARG A 145 11.407 4.306 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.701 1.096 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 145 12.804 0.508 -4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 145 12.825 3.536 -2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.436 1.880 -2.598 1.00 0.00 H new ATOM 337 N HIS A 146 5.324 3.225 -5.473 1.00 0.00 N ATOM 338 CA HIS A 146 4.331 2.331 -6.058 1.00 0.00 C ATOM 339 C HIS A 146 2.924 2.702 -5.597 1.00 0.00 C ATOM 340 O HIS A 146 2.037 1.851 -5.539 1.00 0.00 O ATOM 341 CB HIS A 146 4.636 0.881 -5.685 1.00 0.00 C ATOM 342 CG HIS A 146 5.986 0.418 -6.139 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.148 0.694 -5.451 1.00 0.00 N ATOM 344 CD2 HIS A 146 6.356 -0.308 -7.222 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.175 0.161 -6.089 1.00 0.00 C ATOM 346 NE2 HIS A 146 7.721 -0.453 -7.166 1.00 0.00 N ATOM 0 H HIS A 146 5.350 3.217 -4.453 1.00 0.00 H new ATOM 0 HA HIS A 146 4.378 2.437 -7.142 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.568 0.771 -4.603 1.00 0.00 H new ATOM 0 HB3 HIS A 146 3.874 0.234 -6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 146 5.701 -0.699 -7.986 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.209 0.218 -5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 146 8.292 -0.954 -7.847 1.00 0.00 H new ATOM 354 N LYS A 147 2.727 3.976 -5.272 1.00 0.00 N ATOM 355 CA LYS A 147 1.426 4.458 -4.817 1.00 0.00 C ATOM 356 C LYS A 147 0.959 3.694 -3.582 1.00 0.00 C ATOM 357 O LYS A 147 0.347 2.632 -3.692 1.00 0.00 O ATOM 358 CB LYS A 147 0.391 4.322 -5.936 1.00 0.00 C ATOM 359 CG LYS A 147 0.783 5.046 -7.217 1.00 0.00 C ATOM 360 CD LYS A 147 0.809 4.103 -8.409 1.00 0.00 C ATOM 361 CE LYS A 147 0.380 4.806 -9.688 1.00 0.00 C ATOM 362 NZ LYS A 147 1.463 4.809 -10.710 1.00 0.00 N ATOM 0 H LYS A 147 3.451 4.693 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 147 1.531 5.510 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.243 3.265 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.565 4.712 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.078 5.855 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.765 5.502 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 147 1.814 3.701 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.149 3.257 -8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 147 -0.502 4.312 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 147 0.094 5.833 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 1.131 5.297 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 2.296 5.303 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 1.719 3.829 -10.947 1.00 0.00 H new ATOM 376 N VAL A 148 1.251 4.243 -2.407 1.00 0.00 N ATOM 377 CA VAL A 148 0.859 3.615 -1.150 1.00 0.00 C ATOM 378 C VAL A 148 1.331 4.440 0.044 1.00 0.00 C ATOM 379 O VAL A 148 2.387 5.070 -0.003 1.00 0.00 O ATOM 380 CB VAL A 148 1.428 2.186 -1.032 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.948 2.208 -1.053 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.912 1.508 0.229 1.00 0.00 C ATOM 0 H VAL A 148 1.758 5.122 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.230 3.564 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 148 1.088 1.609 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.328 1.190 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.293 2.647 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.315 2.803 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 148 1.324 0.501 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.218 2.083 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.176 1.453 0.193 1.00 0.00 H new ATOM 392 N CYS A 149 0.541 4.433 1.114 1.00 0.00 N ATOM 393 CA CYS A 149 0.884 5.180 2.317 1.00 0.00 C ATOM 394 C CYS A 149 1.635 4.294 3.308 1.00 0.00 C ATOM 395 O CYS A 149 1.850 3.109 3.055 1.00 0.00 O ATOM 396 CB CYS A 149 -0.379 5.758 2.965 1.00 0.00 C ATOM 397 SG CYS A 149 -1.433 4.535 3.780 1.00 0.00 S ATOM 0 H CYS A 149 -0.338 3.919 1.171 1.00 0.00 H new ATOM 0 HA CYS A 149 1.538 6.005 2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.085 6.510 3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -0.963 6.269 2.200 1.00 0.00 H new ATOM 402 N GLU A 150 2.038 4.878 4.432 1.00 0.00 N ATOM 403 CA GLU A 150 2.773 4.149 5.456 1.00 0.00 C ATOM 404 C GLU A 150 1.887 3.124 6.160 1.00 0.00 C ATOM 405 O GLU A 150 2.371 2.098 6.639 1.00 0.00 O ATOM 406 CB GLU A 150 3.351 5.126 6.479 1.00 0.00 C ATOM 407 CG GLU A 150 2.356 6.170 6.957 1.00 0.00 C ATOM 408 CD GLU A 150 2.789 6.840 8.247 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.191 6.120 9.184 1.00 0.00 O ATOM 410 OE2 GLU A 150 2.725 8.086 8.319 1.00 0.00 O ATOM 0 H GLU A 150 1.866 5.858 4.656 1.00 0.00 H new ATOM 0 HA GLU A 150 3.584 3.611 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 150 3.716 4.564 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 150 4.211 5.631 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 150 2.229 6.927 6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 150 1.384 5.700 7.105 1.00 0.00 H new ATOM 417 N ILE A 151 0.591 3.408 6.229 1.00 0.00 N ATOM 418 CA ILE A 151 -0.354 2.509 6.884 1.00 0.00 C ATOM 419 C ILE A 151 -0.413 1.155 6.183 1.00 0.00 C ATOM 420 O ILE A 151 -0.153 0.119 6.791 1.00 0.00 O ATOM 421 CB ILE A 151 -1.772 3.113 6.931 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.727 4.541 7.480 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.690 2.245 7.777 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.073 4.646 8.841 1.00 0.00 C ATOM 0 H ILE A 151 0.171 4.252 5.840 1.00 0.00 H new ATOM 0 HA ILE A 151 0.007 2.369 7.903 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.168 3.147 5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.187 5.175 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.744 4.929 7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.687 2.685 7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.744 1.245 7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.298 2.182 8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.077 5.686 9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.626 4.039 9.558 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.045 4.289 8.779 1.00 0.00 H new ATOM 436 N HIS A 152 -0.758 1.172 4.899 1.00 0.00 N ATOM 437 CA HIS A 152 -0.854 -0.057 4.118 1.00 0.00 C ATOM 438 C HIS A 152 0.526 -0.558 3.685 1.00 0.00 C ATOM 439 O HIS A 152 0.640 -1.607 3.054 1.00 0.00 O ATOM 440 CB HIS A 152 -1.739 0.164 2.890 1.00 0.00 C ATOM 441 CG HIS A 152 -3.165 0.470 3.229 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.730 1.716 3.060 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.145 -0.319 3.732 1.00 0.00 C ATOM 444 CE1 HIS A 152 -4.992 1.683 3.446 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.269 0.460 3.858 1.00 0.00 N ATOM 0 H HIS A 152 -0.975 2.022 4.378 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.304 -0.819 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.330 0.984 2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.706 -0.727 2.263 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.058 -1.365 3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.680 2.515 3.428 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.172 0.145 4.213 1.00 0.00 H new ATOM 452 N SER A 153 1.571 0.194 4.028 1.00 0.00 N ATOM 453 CA SER A 153 2.933 -0.190 3.670 1.00 0.00 C ATOM 454 C SER A 153 3.323 -1.501 4.340 1.00 0.00 C ATOM 455 O SER A 153 4.029 -2.325 3.757 1.00 0.00 O ATOM 456 CB SER A 153 3.920 0.910 4.069 1.00 0.00 C ATOM 457 OG SER A 153 4.237 0.834 5.448 1.00 0.00 O ATOM 0 H SER A 153 1.500 1.067 4.550 1.00 0.00 H new ATOM 0 HA SER A 153 2.970 -0.328 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.831 0.818 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.491 1.887 3.844 1.00 0.00 H new ATOM 0 HG SER A 153 3.463 1.118 5.978 1.00 0.00 H new ATOM 463 N LYS A 154 2.856 -1.691 5.570 1.00 0.00 N ATOM 464 CA LYS A 154 3.156 -2.904 6.324 1.00 0.00 C ATOM 465 C LYS A 154 1.886 -3.509 6.910 1.00 0.00 C ATOM 466 O LYS A 154 1.914 -4.126 7.974 1.00 0.00 O ATOM 467 CB LYS A 154 4.153 -2.599 7.442 1.00 0.00 C ATOM 468 CG LYS A 154 5.392 -1.861 6.968 1.00 0.00 C ATOM 469 CD LYS A 154 6.590 -2.152 7.859 1.00 0.00 C ATOM 470 CE LYS A 154 7.500 -3.206 7.247 1.00 0.00 C ATOM 471 NZ LYS A 154 8.937 -2.845 7.386 1.00 0.00 N ATOM 0 H LYS A 154 2.268 -1.021 6.066 1.00 0.00 H new ATOM 0 HA LYS A 154 3.598 -3.628 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.656 -2.003 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 154 4.456 -3.534 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.620 -2.153 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.197 -0.789 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 154 7.154 -1.234 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 154 6.244 -2.492 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.319 -4.167 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.256 -3.328 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 9.525 -3.588 6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 9.116 -1.941 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 9.176 -2.754 8.394 1.00 0.00 H new ATOM 485 N ALA A 155 0.772 -3.329 6.208 1.00 0.00 N ATOM 486 CA ALA A 155 -0.510 -3.858 6.658 1.00 0.00 C ATOM 487 C ALA A 155 -0.723 -5.282 6.154 1.00 0.00 C ATOM 488 O ALA A 155 -0.249 -5.646 5.077 1.00 0.00 O ATOM 489 CB ALA A 155 -1.643 -2.956 6.196 1.00 0.00 C ATOM 0 H ALA A 155 0.731 -2.820 5.325 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.503 -3.884 7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.595 -3.363 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.505 -1.957 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.643 -2.901 5.107 1.00 0.00 H new ATOM 495 N THR A 156 -1.439 -6.081 6.936 1.00 0.00 N ATOM 496 CA THR A 156 -1.715 -7.464 6.567 1.00 0.00 C ATOM 497 C THR A 156 -2.745 -7.539 5.446 1.00 0.00 C ATOM 498 O THR A 156 -2.719 -8.454 4.624 1.00 0.00 O ATOM 499 CB THR A 156 -2.225 -8.277 7.770 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.128 -7.485 8.551 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.068 -8.740 8.641 1.00 0.00 C ATOM 0 H THR A 156 -1.839 -5.795 7.830 1.00 0.00 H new ATOM 0 HA THR A 156 -0.773 -7.891 6.222 1.00 0.00 H new ATOM 0 HB THR A 156 -2.747 -9.155 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.449 -8.011 9.313 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.454 -9.312 9.485 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.398 -9.367 8.053 1.00 0.00 H new ATOM 0 HG23 THR A 156 -0.521 -7.873 9.011 1.00 0.00 H new ATOM 509 N THR A 157 -3.652 -6.567 5.419 1.00 0.00 N ATOM 510 CA THR A 157 -4.692 -6.520 4.398 1.00 0.00 C ATOM 511 C THR A 157 -4.831 -5.117 3.819 1.00 0.00 C ATOM 512 O THR A 157 -4.439 -4.134 4.446 1.00 0.00 O ATOM 513 CB THR A 157 -6.054 -6.968 4.964 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.125 -6.673 6.364 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.268 -8.459 4.744 1.00 0.00 C ATOM 0 H THR A 157 -3.687 -5.802 6.092 1.00 0.00 H new ATOM 0 HA THR A 157 -4.391 -7.207 3.607 1.00 0.00 H new ATOM 0 HB THR A 157 -6.837 -6.422 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 157 -6.994 -6.959 6.715 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.236 -8.752 5.152 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.243 -8.676 3.676 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.479 -9.018 5.246 1.00 0.00 H new ATOM 523 N ALA A 158 -5.391 -5.032 2.617 1.00 0.00 N ATOM 524 CA ALA A 158 -5.583 -3.748 1.951 1.00 0.00 C ATOM 525 C ALA A 158 -6.538 -3.878 0.773 1.00 0.00 C ATOM 526 O ALA A 158 -6.375 -4.753 -0.079 1.00 0.00 O ATOM 527 CB ALA A 158 -4.243 -3.190 1.491 1.00 0.00 C ATOM 0 H ALA A 158 -5.720 -5.837 2.084 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.027 -3.056 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.399 -2.232 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.591 -3.051 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.778 -3.888 0.794 1.00 0.00 H new ATOM 533 N LEU A 159 -7.536 -3.001 0.727 1.00 0.00 N ATOM 534 CA LEU A 159 -8.522 -3.018 -0.349 1.00 0.00 C ATOM 535 C LEU A 159 -8.087 -2.112 -1.498 1.00 0.00 C ATOM 536 O LEU A 159 -8.255 -0.895 -1.438 1.00 0.00 O ATOM 537 CB LEU A 159 -9.888 -2.573 0.177 1.00 0.00 C ATOM 538 CG LEU A 159 -11.090 -3.093 -0.614 1.00 0.00 C ATOM 539 CD1 LEU A 159 -10.934 -2.783 -2.095 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.262 -4.589 -0.395 1.00 0.00 C ATOM 0 H LEU A 159 -7.684 -2.269 1.422 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.599 -4.039 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.985 -2.900 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.920 -1.483 0.182 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.985 -2.586 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.799 -3.161 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.860 -1.705 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.030 -3.261 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.121 -4.944 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.365 -5.111 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.423 -4.785 0.665 1.00 0.00 H new ATOM 552 N VAL A 160 -7.530 -2.714 -2.544 1.00 0.00 N ATOM 553 CA VAL A 160 -7.075 -1.961 -3.706 1.00 0.00 C ATOM 554 C VAL A 160 -7.771 -2.440 -4.977 1.00 0.00 C ATOM 555 O VAL A 160 -7.503 -3.538 -5.465 1.00 0.00 O ATOM 556 CB VAL A 160 -5.552 -2.079 -3.895 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.072 -1.126 -4.978 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.829 -1.814 -2.582 1.00 0.00 C ATOM 0 H VAL A 160 -7.383 -3.721 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.330 -0.917 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.322 -3.096 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.993 -1.224 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.564 -1.368 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.314 -0.102 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.753 -1.902 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.065 -0.809 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.150 -2.542 -1.837 1.00 0.00 H new ATOM 568 N GLY A 161 -8.663 -1.609 -5.506 1.00 0.00 N ATOM 569 CA GLY A 161 -9.382 -1.966 -6.715 1.00 0.00 C ATOM 570 C GLY A 161 -10.710 -2.634 -6.424 1.00 0.00 C ATOM 571 O GLY A 161 -11.735 -2.268 -6.996 1.00 0.00 O ATOM 0 H GLY A 161 -8.901 -0.695 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.553 -1.069 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.766 -2.635 -7.316 1.00 0.00 H new ATOM 575 N GLY A 162 -10.692 -3.618 -5.531 1.00 0.00 N ATOM 576 CA GLY A 162 -11.911 -4.324 -5.179 1.00 0.00 C ATOM 577 C GLY A 162 -11.644 -5.558 -4.342 1.00 0.00 C ATOM 578 O GLY A 162 -12.452 -5.926 -3.489 1.00 0.00 O ATOM 0 H GLY A 162 -9.855 -3.939 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.571 -3.652 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.436 -4.613 -6.090 1.00 0.00 H new ATOM 582 N ILE A 163 -10.507 -6.200 -4.585 1.00 0.00 N ATOM 583 CA ILE A 163 -10.133 -7.401 -3.848 1.00 0.00 C ATOM 584 C ILE A 163 -9.013 -7.107 -2.855 1.00 0.00 C ATOM 585 O ILE A 163 -8.081 -6.362 -3.158 1.00 0.00 O ATOM 586 CB ILE A 163 -9.679 -8.528 -4.797 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.711 -8.739 -5.907 1.00 0.00 C ATOM 588 CG2 ILE A 163 -9.455 -9.818 -4.022 1.00 0.00 C ATOM 589 CD1 ILE A 163 -10.093 -8.983 -7.268 1.00 0.00 C ATOM 0 H ILE A 163 -9.828 -5.908 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 163 -11.021 -7.729 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.735 -8.235 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -11.344 -9.587 -5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -11.358 -7.863 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -9.135 -10.603 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.685 -9.660 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -10.384 -10.117 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.883 -9.124 -8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -9.482 -8.125 -7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.469 -9.876 -7.229 1.00 0.00 H new ATOM 601 N MET A 164 -9.111 -7.697 -1.668 1.00 0.00 N ATOM 602 CA MET A 164 -8.106 -7.499 -0.631 1.00 0.00 C ATOM 603 C MET A 164 -6.737 -7.982 -1.101 1.00 0.00 C ATOM 604 O MET A 164 -6.638 -8.813 -2.002 1.00 0.00 O ATOM 605 CB MET A 164 -8.510 -8.235 0.647 1.00 0.00 C ATOM 606 CG MET A 164 -9.588 -7.523 1.446 1.00 0.00 C ATOM 607 SD MET A 164 -8.914 -6.494 2.763 1.00 0.00 S ATOM 608 CE MET A 164 -10.345 -5.507 3.191 1.00 0.00 C ATOM 0 H MET A 164 -9.876 -8.316 -1.401 1.00 0.00 H new ATOM 0 HA MET A 164 -8.041 -6.431 -0.421 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.863 -9.232 0.385 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.629 -8.364 1.276 1.00 0.00 H new ATOM 0 HG2 MET A 164 -10.182 -6.903 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.262 -8.263 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 164 -10.185 -4.477 2.872 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.227 -5.909 2.692 1.00 0.00 H new ATOM 0 HE3 MET A 164 -10.495 -5.533 4.270 1.00 0.00 H new ATOM 618 N GLN A 165 -5.687 -7.454 -0.482 1.00 0.00 N ATOM 619 CA GLN A 165 -4.323 -7.832 -0.838 1.00 0.00 C ATOM 620 C GLN A 165 -3.333 -7.365 0.224 1.00 0.00 C ATOM 621 O GLN A 165 -3.719 -6.756 1.221 1.00 0.00 O ATOM 622 CB GLN A 165 -3.945 -7.243 -2.199 1.00 0.00 C ATOM 623 CG GLN A 165 -4.368 -5.792 -2.380 1.00 0.00 C ATOM 624 CD GLN A 165 -4.605 -5.433 -3.833 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.677 -5.067 -4.554 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.855 -5.535 -4.272 1.00 0.00 N ATOM 0 H GLN A 165 -5.753 -6.765 0.267 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.279 -8.920 -0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.865 -7.316 -2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.401 -7.845 -2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -5.279 -5.609 -1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.599 -5.139 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.594 -5.843 -3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.075 -5.306 -5.241 1.00 0.00 H new ATOM 635 N ARG A 166 -2.055 -7.657 0.003 1.00 0.00 N ATOM 636 CA ARG A 166 -1.009 -7.268 0.941 1.00 0.00 C ATOM 637 C ARG A 166 0.192 -6.681 0.208 1.00 0.00 C ATOM 638 O ARG A 166 0.558 -7.143 -0.874 1.00 0.00 O ATOM 639 CB ARG A 166 -0.571 -8.473 1.775 1.00 0.00 C ATOM 640 CG ARG A 166 0.024 -8.097 3.123 1.00 0.00 C ATOM 641 CD ARG A 166 1.531 -7.922 3.037 1.00 0.00 C ATOM 642 NE ARG A 166 2.083 -7.325 4.252 1.00 0.00 N ATOM 643 CZ ARG A 166 2.317 -8.007 5.371 1.00 0.00 C ATOM 644 NH1 ARG A 166 2.051 -9.305 5.436 1.00 0.00 N ATOM 645 NH2 ARG A 166 2.821 -7.387 6.430 1.00 0.00 N ATOM 0 H ARG A 166 -1.719 -8.162 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.416 -6.503 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.430 -9.125 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.164 -9.047 1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -0.431 -7.172 3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.213 -8.870 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 166 1.999 -8.891 2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 166 1.775 -7.293 2.181 1.00 0.00 H new ATOM 0 HE ARG A 166 2.301 -6.329 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 166 1.664 -9.788 4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 166 2.233 -9.820 6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 166 3.029 -6.389 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.001 -7.908 7.288 1.00 0.00 H new ATOM 659 N PHE A 167 0.801 -5.661 0.803 1.00 0.00 N ATOM 660 CA PHE A 167 1.963 -5.011 0.206 1.00 0.00 C ATOM 661 C PHE A 167 3.257 -5.649 0.702 1.00 0.00 C ATOM 662 O PHE A 167 3.662 -5.445 1.846 1.00 0.00 O ATOM 663 CB PHE A 167 1.960 -3.516 0.532 1.00 0.00 C ATOM 664 CG PHE A 167 3.104 -2.765 -0.088 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.984 -2.213 -1.353 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.299 -2.611 0.597 1.00 0.00 C ATOM 667 CE1 PHE A 167 4.035 -1.521 -1.925 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.354 -1.921 0.030 1.00 0.00 C ATOM 669 CZ PHE A 167 5.222 -1.374 -1.233 1.00 0.00 C ATOM 0 H PHE A 167 0.510 -5.266 1.697 1.00 0.00 H new ATOM 0 HA PHE A 167 1.906 -5.140 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.022 -3.080 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 167 1.996 -3.388 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 167 2.059 -2.325 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.407 -3.035 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.929 -1.096 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.281 -1.809 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.044 -0.833 -1.677 1.00 0.00 H new ATOM 679 N CYS A 168 3.899 -6.425 -0.166 1.00 0.00 N ATOM 680 CA CYS A 168 5.146 -7.092 0.185 1.00 0.00 C ATOM 681 C CYS A 168 6.297 -6.095 0.253 1.00 0.00 C ATOM 682 O CYS A 168 6.262 -5.047 -0.390 1.00 0.00 O ATOM 683 CB CYS A 168 5.466 -8.189 -0.832 1.00 0.00 C ATOM 684 SG CYS A 168 6.723 -9.366 -0.280 1.00 0.00 S ATOM 0 H CYS A 168 3.576 -6.607 -1.116 1.00 0.00 H new ATOM 0 HA CYS A 168 5.022 -7.543 1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.550 -8.734 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 168 5.802 -7.723 -1.759 1.00 0.00 H new ATOM 0 HG CYS A 168 7.384 -9.809 -1.308 1.00 0.00 H new ATOM 690 N GLN A 169 7.317 -6.430 1.037 1.00 0.00 N ATOM 691 CA GLN A 169 8.480 -5.562 1.190 1.00 0.00 C ATOM 692 C GLN A 169 9.576 -5.945 0.202 1.00 0.00 C ATOM 693 O GLN A 169 10.105 -5.094 -0.514 1.00 0.00 O ATOM 694 CB GLN A 169 9.017 -5.641 2.620 1.00 0.00 C ATOM 695 CG GLN A 169 8.390 -4.624 3.561 1.00 0.00 C ATOM 696 CD GLN A 169 6.901 -4.841 3.745 1.00 0.00 C ATOM 697 OE1 GLN A 169 6.477 -5.629 4.592 1.00 0.00 O ATOM 698 NE2 GLN A 169 6.098 -4.142 2.952 1.00 0.00 N ATOM 0 H GLN A 169 7.362 -7.295 1.576 1.00 0.00 H new ATOM 0 HA GLN A 169 8.169 -4.538 0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 169 8.840 -6.643 3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.097 -5.491 2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 169 8.884 -4.679 4.531 1.00 0.00 H new ATOM 0 HG3 GLN A 169 8.562 -3.620 3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 169 6.493 -3.500 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 169 5.086 -4.246 3.031 1.00 0.00 H new ATOM 707 N GLN A 170 9.914 -7.231 0.167 1.00 0.00 N ATOM 708 CA GLN A 170 10.946 -7.725 -0.735 1.00 0.00 C ATOM 709 C GLN A 170 10.570 -7.465 -2.190 1.00 0.00 C ATOM 710 O GLN A 170 11.436 -7.240 -3.034 1.00 0.00 O ATOM 711 CB GLN A 170 11.170 -9.224 -0.515 1.00 0.00 C ATOM 712 CG GLN A 170 12.588 -9.678 -0.819 1.00 0.00 C ATOM 713 CD GLN A 170 13.508 -9.558 0.380 1.00 0.00 C ATOM 714 OE1 GLN A 170 13.930 -8.460 0.746 1.00 0.00 O ATOM 715 NE2 GLN A 170 13.825 -10.689 0.999 1.00 0.00 N ATOM 0 H GLN A 170 9.488 -7.948 0.753 1.00 0.00 H new ATOM 0 HA GLN A 170 11.870 -7.189 -0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.933 -9.470 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 170 10.476 -9.783 -1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 170 12.569 -10.715 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 170 12.988 -9.083 -1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.453 -11.577 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.441 -10.670 1.812 1.00 0.00 H new ATOM 724 N CYS A 171 9.272 -7.496 -2.473 1.00 0.00 N ATOM 725 CA CYS A 171 8.779 -7.262 -3.826 1.00 0.00 C ATOM 726 C CYS A 171 8.369 -5.805 -4.010 1.00 0.00 C ATOM 727 O CYS A 171 8.469 -5.256 -5.107 1.00 0.00 O ATOM 728 CB CYS A 171 7.594 -8.180 -4.125 1.00 0.00 C ATOM 729 SG CYS A 171 7.899 -9.924 -3.757 1.00 0.00 S ATOM 0 H CYS A 171 8.543 -7.681 -1.784 1.00 0.00 H new ATOM 0 HA CYS A 171 9.586 -7.484 -4.524 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.733 -7.843 -3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 171 7.330 -8.083 -5.178 1.00 0.00 H new ATOM 0 HG CYS A 171 6.764 -10.545 -3.628 1.00 0.00 H new ATOM 735 N SER A 172 7.906 -5.184 -2.930 1.00 0.00 N ATOM 736 CA SER A 172 7.481 -3.789 -2.973 1.00 0.00 C ATOM 737 C SER A 172 6.313 -3.607 -3.939 1.00 0.00 C ATOM 738 O SER A 172 6.265 -2.634 -4.693 1.00 0.00 O ATOM 739 CB SER A 172 8.647 -2.890 -3.387 1.00 0.00 C ATOM 740 OG SER A 172 9.406 -2.489 -2.259 1.00 0.00 O ATOM 0 H SER A 172 7.815 -5.624 -2.014 1.00 0.00 H new ATOM 0 HA SER A 172 7.151 -3.504 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 172 9.288 -3.421 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.266 -2.010 -3.905 1.00 0.00 H new ATOM 0 HG SER A 172 9.612 -3.273 -1.708 1.00 0.00 H new ATOM 746 N ARG A 173 5.374 -4.547 -3.909 1.00 0.00 N ATOM 747 CA ARG A 173 4.208 -4.490 -4.782 1.00 0.00 C ATOM 748 C ARG A 173 2.989 -5.105 -4.103 1.00 0.00 C ATOM 749 O ARG A 173 3.114 -6.034 -3.303 1.00 0.00 O ATOM 750 CB ARG A 173 4.493 -5.214 -6.100 1.00 0.00 C ATOM 751 CG ARG A 173 3.332 -5.170 -7.080 1.00 0.00 C ATOM 752 CD ARG A 173 3.808 -4.893 -8.498 1.00 0.00 C ATOM 753 NE ARG A 173 4.023 -6.124 -9.254 1.00 0.00 N ATOM 754 CZ ARG A 173 4.091 -6.176 -10.582 1.00 0.00 C ATOM 755 NH1 ARG A 173 3.965 -5.069 -11.304 1.00 0.00 N ATOM 756 NH2 ARG A 173 4.289 -7.338 -11.191 1.00 0.00 N ATOM 0 H ARG A 173 5.398 -5.357 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 173 3.994 -3.442 -4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.370 -4.768 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.740 -6.254 -5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 173 2.797 -6.119 -7.054 1.00 0.00 H new ATOM 0 HG3 ARG A 173 2.626 -4.397 -6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 173 3.072 -4.275 -9.013 1.00 0.00 H new ATOM 0 HD3 ARG A 173 4.736 -4.322 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 173 4.127 -6.995 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 173 3.815 -4.173 -10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 173 4.018 -5.115 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 173 4.389 -8.191 -10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 173 4.341 -7.378 -12.209 1.00 0.00 H new ATOM 770 N PHE A 174 1.811 -4.582 -4.426 1.00 0.00 N ATOM 771 CA PHE A 174 0.567 -5.078 -3.847 1.00 0.00 C ATOM 772 C PHE A 174 0.229 -6.462 -4.391 1.00 0.00 C ATOM 773 O PHE A 174 -0.275 -6.597 -5.504 1.00 0.00 O ATOM 774 CB PHE A 174 -0.579 -4.108 -4.140 1.00 0.00 C ATOM 775 CG PHE A 174 -0.801 -3.098 -3.050 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.018 -3.507 -1.745 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.795 -1.741 -3.333 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.225 -2.580 -0.740 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.001 -0.811 -2.332 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.216 -1.231 -1.034 1.00 0.00 C ATOM 0 H PHE A 174 1.691 -3.814 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 174 0.702 -5.154 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.372 -3.584 -5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.497 -4.677 -4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -1.026 -4.561 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.628 -1.407 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.394 -2.911 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -0.994 0.244 -2.564 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.377 -0.505 -0.250 1.00 0.00 H new ATOM 790 N HIS A 175 0.509 -7.489 -3.594 1.00 0.00 N ATOM 791 CA HIS A 175 0.233 -8.865 -3.994 1.00 0.00 C ATOM 792 C HIS A 175 -1.175 -9.279 -3.577 1.00 0.00 C ATOM 793 O HIS A 175 -1.576 -9.086 -2.430 1.00 0.00 O ATOM 794 CB HIS A 175 1.260 -9.814 -3.375 1.00 0.00 C ATOM 795 CG HIS A 175 2.544 -9.885 -4.140 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.858 -9.022 -5.169 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.602 -10.723 -4.021 1.00 0.00 C ATOM 798 CE1 HIS A 175 4.050 -9.326 -5.650 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.523 -10.354 -4.970 1.00 0.00 N ATOM 0 H HIS A 175 0.926 -7.395 -2.668 1.00 0.00 H new ATOM 0 HA HIS A 175 0.304 -8.923 -5.080 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.471 -9.493 -2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.828 -10.813 -3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.702 -11.531 -3.311 1.00 0.00 H new ATOM 0 HE1 HIS A 175 4.552 -8.820 -6.461 1.00 0.00 H new ATOM 0 HE2 HIS A 175 5.426 -10.802 -5.125 1.00 0.00 H new ATOM 807 N VAL A 176 -1.923 -9.850 -4.519 1.00 0.00 N ATOM 808 CA VAL A 176 -3.288 -10.291 -4.252 1.00 0.00 C ATOM 809 C VAL A 176 -3.355 -11.166 -3.002 1.00 0.00 C ATOM 810 O VAL A 176 -2.476 -11.994 -2.763 1.00 0.00 O ATOM 811 CB VAL A 176 -3.868 -11.073 -5.448 1.00 0.00 C ATOM 812 CG1 VAL A 176 -3.051 -12.328 -5.717 1.00 0.00 C ATOM 813 CG2 VAL A 176 -5.329 -11.420 -5.205 1.00 0.00 C ATOM 0 H VAL A 176 -1.606 -10.018 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.884 -9.393 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.813 -10.437 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -3.477 -12.865 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -2.022 -12.050 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.068 -12.969 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -5.719 -11.971 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -5.413 -12.034 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -5.903 -10.503 -5.072 1.00 0.00 H new ATOM 823 N LEU A 177 -4.404 -10.974 -2.208 1.00 0.00 N ATOM 824 CA LEU A 177 -4.585 -11.744 -0.984 1.00 0.00 C ATOM 825 C LEU A 177 -4.718 -13.232 -1.289 1.00 0.00 C ATOM 826 O LEU A 177 -5.619 -13.648 -2.019 1.00 0.00 O ATOM 827 CB LEU A 177 -5.824 -11.254 -0.228 1.00 0.00 C ATOM 828 CG LEU A 177 -5.895 -11.675 1.240 1.00 0.00 C ATOM 829 CD1 LEU A 177 -4.916 -10.865 2.076 1.00 0.00 C ATOM 830 CD2 LEU A 177 -7.312 -11.515 1.770 1.00 0.00 C ATOM 0 H LEU A 177 -5.140 -10.292 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 177 -3.703 -11.598 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.856 -10.166 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -6.713 -11.624 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.617 -12.727 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -4.981 -11.179 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -3.902 -11.029 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.162 -9.806 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.346 -11.819 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -7.617 -10.472 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -7.991 -12.139 1.189 1.00 0.00 H new ATOM 842 N GLU A 178 -3.816 -14.029 -0.726 1.00 0.00 N ATOM 843 CA GLU A 178 -3.832 -15.472 -0.938 1.00 0.00 C ATOM 844 C GLU A 178 -3.550 -16.214 0.362 1.00 0.00 C ATOM 845 O GLU A 178 -4.434 -16.852 0.932 1.00 0.00 O ATOM 846 CB GLU A 178 -2.802 -15.865 -1.999 1.00 0.00 C ATOM 847 CG GLU A 178 -3.055 -15.231 -3.357 1.00 0.00 C ATOM 848 CD GLU A 178 -3.994 -16.052 -4.219 1.00 0.00 C ATOM 849 OE1 GLU A 178 -3.565 -17.114 -4.718 1.00 0.00 O ATOM 850 OE2 GLU A 178 -5.157 -15.634 -4.395 1.00 0.00 O ATOM 0 H GLU A 178 -3.065 -13.700 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 178 -4.826 -15.752 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -1.809 -15.578 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -2.801 -16.950 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -3.475 -14.235 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -2.106 -15.106 -3.878 1.00 0.00 H new ATOM 857 N GLU A 179 -2.311 -16.122 0.825 1.00 0.00 N ATOM 858 CA GLU A 179 -1.903 -16.782 2.060 1.00 0.00 C ATOM 859 C GLU A 179 -0.992 -15.875 2.884 1.00 0.00 C ATOM 860 O GLU A 179 0.065 -16.298 3.352 1.00 0.00 O ATOM 861 CB GLU A 179 -1.188 -18.097 1.746 1.00 0.00 C ATOM 862 CG GLU A 179 -1.520 -19.217 2.720 1.00 0.00 C ATOM 863 CD GLU A 179 -2.343 -20.320 2.083 1.00 0.00 C ATOM 864 OE1 GLU A 179 -1.741 -21.257 1.515 1.00 0.00 O ATOM 865 OE2 GLU A 179 -3.587 -20.249 2.153 1.00 0.00 O ATOM 0 H GLU A 179 -1.569 -15.596 0.364 1.00 0.00 H new ATOM 0 HA GLU A 179 -2.798 -16.995 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -1.453 -18.413 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -0.111 -17.927 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -0.594 -19.639 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -2.066 -18.805 3.569 1.00 0.00 H new ATOM 872 N PHE A 180 -1.411 -14.626 3.058 1.00 0.00 N ATOM 873 CA PHE A 180 -0.636 -13.659 3.826 1.00 0.00 C ATOM 874 C PHE A 180 -1.159 -13.552 5.256 1.00 0.00 C ATOM 875 O PHE A 180 -1.138 -12.477 5.856 1.00 0.00 O ATOM 876 CB PHE A 180 -0.679 -12.287 3.151 1.00 0.00 C ATOM 877 CG PHE A 180 0.374 -12.102 2.097 1.00 0.00 C ATOM 878 CD1 PHE A 180 1.714 -12.022 2.442 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.025 -12.009 0.758 1.00 0.00 C ATOM 880 CE1 PHE A 180 2.685 -11.852 1.474 1.00 0.00 C ATOM 881 CE2 PHE A 180 0.992 -11.839 -0.214 1.00 0.00 C ATOM 882 CZ PHE A 180 2.324 -11.761 0.143 1.00 0.00 C ATOM 0 H PHE A 180 -2.283 -14.260 2.677 1.00 0.00 H new ATOM 0 HA PHE A 180 0.396 -14.007 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -1.661 -12.144 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 180 -0.561 -11.514 3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 180 2.003 -12.093 3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -1.015 -12.070 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 180 3.725 -11.790 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 180 0.706 -11.767 -1.253 1.00 0.00 H new ATOM 0 HZ PHE A 180 3.081 -11.629 -0.616 1.00 0.00 H new ATOM 892 N ASP A 181 -1.629 -14.673 5.795 1.00 0.00 N ATOM 893 CA ASP A 181 -2.158 -14.703 7.153 1.00 0.00 C ATOM 894 C ASP A 181 -1.994 -16.091 7.768 1.00 0.00 C ATOM 895 O ASP A 181 -2.589 -16.334 8.840 1.00 0.00 O ATOM 896 CB ASP A 181 -3.635 -14.304 7.157 1.00 0.00 C ATOM 897 CG ASP A 181 -3.827 -12.805 7.030 1.00 0.00 C ATOM 898 OD1 ASP A 181 -3.728 -12.105 8.059 1.00 0.00 O ATOM 899 OD2 ASP A 181 -4.076 -12.332 5.902 1.00 0.00 O ATOM 900 OXT ASP A 181 -1.273 -16.918 7.175 1.00 0.00 O ATOM 0 H ASP A 181 -1.654 -15.571 5.312 1.00 0.00 H new ATOM 0 HA ASP A 181 -1.594 -13.988 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 181 -4.146 -14.804 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -4.100 -14.651 8.080 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.300 3.705 2.399 1.00 0.00 ZN