USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 437 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 141 HIS HD1 : A 141 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD Set 1.1: A 174 LYS NZ :NH3+ -106:sc= 0.48 (180deg=-0.128) USER MOD Set 1.2: A 175 ASN : amide:sc= 0.448 K(o=0.93,f=-2) USER MOD Set 2.1: A 157 THR OG1 : rot -61:sc= 1.12 USER MOD Set 2.2: A 158 ASN : amide:sc= -1.7! C(o=-0.59!,f=-5!) USER MOD Set 3.1: A 119 LYS NZ :NH3+ 180:sc= 0.0349 (180deg=-0.232) USER MOD Set 3.2: A 126 SER OG : rot -146:sc= 0.256 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 137:sc= -0.315 (180deg=-1.12) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -131:sc= 1.77 (180deg=-2.08!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 152 LYS NZ :NH3+ 168:sc= -0.0106 (180deg=-0.165) USER MOD Single : A 153 SER OG : rot -83:sc= 1.21 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 170:sc= -0.0126 (180deg=-0.149) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 167:sc= -0.0203 (180deg=-0.176) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.428 4.049 -0.675 1.00 0.89 N ATOM 2 CA LYS A 119 14.053 2.769 -0.969 1.00 0.80 C ATOM 3 C LYS A 119 13.114 1.603 -0.696 1.00 0.78 C ATOM 4 O LYS A 119 12.468 1.532 0.352 1.00 0.90 O ATOM 5 CB LYS A 119 15.341 2.587 -0.162 1.00 0.93 C ATOM 6 CG LYS A 119 16.449 3.547 -0.559 1.00 1.51 C ATOM 7 CD LYS A 119 17.756 3.196 0.124 1.00 1.54 C ATOM 8 CE LYS A 119 18.868 4.144 -0.288 1.00 2.16 C ATOM 9 NZ LYS A 119 19.137 4.099 -1.751 1.00 2.76 N ATOM 0 HA LYS A 119 14.293 2.775 -2.032 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.118 2.720 0.897 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.696 1.564 -0.287 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.584 3.522 -1.640 1.00 1.51 H new ATOM 0 HG3 LYS A 119 16.162 4.565 -0.297 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.625 3.234 1.205 1.00 1.54 H new ATOM 0 HD3 LYS A 119 18.036 2.173 -0.127 1.00 1.54 H new ATOM 0 HE2 LYS A 119 18.600 5.161 -0.001 1.00 2.16 H new ATOM 0 HE3 LYS A 119 19.779 3.890 0.254 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 19.903 4.763 -1.984 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 19.419 3.136 -2.023 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 18.277 4.367 -2.271 1.00 2.76 H new ATOM 23 N CYS A 120 13.071 0.689 -1.653 1.00 0.70 N ATOM 24 CA CYS A 120 12.279 -0.519 -1.558 1.00 0.72 C ATOM 25 C CYS A 120 13.040 -1.598 -0.802 1.00 0.76 C ATOM 26 O CYS A 120 14.146 -1.985 -1.202 1.00 0.80 O ATOM 27 CB CYS A 120 11.936 -1.016 -2.963 1.00 0.67 C ATOM 28 SG CYS A 120 11.359 -2.742 -3.041 1.00 0.74 S ATOM 0 H CYS A 120 13.592 0.770 -2.526 1.00 0.70 H new ATOM 0 HA CYS A 120 11.361 -0.296 -1.014 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.165 -0.370 -3.384 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.818 -0.913 -3.595 1.00 0.67 H new ATOM 33 N PRO A 121 12.449 -2.104 0.292 1.00 0.79 N ATOM 34 CA PRO A 121 13.051 -3.134 1.133 1.00 0.87 C ATOM 35 C PRO A 121 12.868 -4.543 0.569 1.00 0.90 C ATOM 36 O PRO A 121 13.236 -5.526 1.210 1.00 1.00 O ATOM 37 CB PRO A 121 12.297 -3.003 2.464 1.00 0.96 C ATOM 38 CG PRO A 121 11.326 -1.874 2.288 1.00 1.00 C ATOM 39 CD PRO A 121 11.146 -1.694 0.812 1.00 0.82 C ATOM 0 HA PRO A 121 14.129 -2.996 1.215 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.777 -3.929 2.709 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.987 -2.799 3.283 1.00 0.96 H new ATOM 0 HG2 PRO A 121 10.375 -2.101 2.770 1.00 1.00 H new ATOM 0 HG3 PRO A 121 11.705 -0.961 2.747 1.00 1.00 H new ATOM 0 HD2 PRO A 121 10.338 -2.313 0.421 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.910 -0.662 0.553 1.00 0.82 H new ATOM 47 N ARG A 122 12.279 -4.649 -0.613 1.00 0.86 N ATOM 48 CA ARG A 122 12.114 -5.947 -1.258 1.00 0.94 C ATOM 49 C ARG A 122 13.217 -6.186 -2.271 1.00 0.90 C ATOM 50 O ARG A 122 13.681 -7.312 -2.446 1.00 1.05 O ATOM 51 CB ARG A 122 10.756 -6.057 -1.948 1.00 0.98 C ATOM 52 CG ARG A 122 9.578 -6.183 -1.002 1.00 0.97 C ATOM 53 CD ARG A 122 9.665 -7.433 -0.136 1.00 1.11 C ATOM 54 NE ARG A 122 10.538 -7.258 1.033 1.00 1.54 N ATOM 55 CZ ARG A 122 10.214 -7.669 2.260 1.00 1.95 C ATOM 56 NH1 ARG A 122 9.047 -8.262 2.476 1.00 2.03 N ATOM 57 NH2 ARG A 122 11.047 -7.474 3.278 1.00 2.82 N ATOM 0 H ARG A 122 11.909 -3.860 -1.143 1.00 0.86 H new ATOM 0 HA ARG A 122 12.170 -6.707 -0.478 1.00 0.94 H new ATOM 0 HB2 ARG A 122 10.609 -5.178 -2.575 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.768 -6.923 -2.610 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.533 -5.302 -0.362 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.653 -6.206 -1.578 1.00 0.97 H new ATOM 0 HD2 ARG A 122 8.665 -7.706 0.201 1.00 1.11 H new ATOM 0 HD3 ARG A 122 10.035 -8.262 -0.739 1.00 1.11 H new ATOM 0 HE ARG A 122 11.439 -6.798 0.899 1.00 1.54 H new ATOM 0 HH11 ARG A 122 8.396 -8.404 1.703 1.00 2.03 H new ATOM 0 HH12 ARG A 122 8.800 -8.576 3.415 1.00 2.03 H new ATOM 0 HH21 ARG A 122 11.941 -7.007 3.123 1.00 2.82 H new ATOM 0 HH22 ARG A 122 10.792 -7.791 4.213 1.00 2.82 H new ATOM 71 N CYS A 123 13.629 -5.127 -2.943 1.00 0.76 N ATOM 72 CA CYS A 123 14.671 -5.238 -3.942 1.00 0.78 C ATOM 73 C CYS A 123 15.970 -4.604 -3.458 1.00 0.76 C ATOM 74 O CYS A 123 17.028 -4.785 -4.059 1.00 0.86 O ATOM 75 CB CYS A 123 14.210 -4.574 -5.234 1.00 0.77 C ATOM 76 SG CYS A 123 12.535 -5.066 -5.757 1.00 0.88 S ATOM 0 H CYS A 123 13.259 -4.185 -2.815 1.00 0.76 H new ATOM 0 HA CYS A 123 14.865 -6.295 -4.124 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.237 -3.492 -5.105 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.915 -4.818 -6.029 1.00 0.77 H new ATOM 81 N GLY A 124 15.883 -3.858 -2.362 1.00 0.70 N ATOM 82 CA GLY A 124 17.041 -3.160 -1.841 1.00 0.73 C ATOM 83 C GLY A 124 17.472 -2.038 -2.762 1.00 0.71 C ATOM 84 O GLY A 124 18.652 -1.703 -2.840 1.00 0.85 O ATOM 0 H GLY A 124 15.027 -3.725 -1.824 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.810 -2.755 -0.856 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.864 -3.863 -1.712 1.00 0.73 H new ATOM 88 N LYS A 125 16.499 -1.443 -3.435 1.00 0.61 N ATOM 89 CA LYS A 125 16.767 -0.477 -4.496 1.00 0.61 C ATOM 90 C LYS A 125 15.952 0.783 -4.274 1.00 0.57 C ATOM 91 O LYS A 125 14.848 0.720 -3.739 1.00 0.60 O ATOM 92 CB LYS A 125 16.420 -1.081 -5.863 1.00 0.63 C ATOM 93 CG LYS A 125 17.208 -2.337 -6.198 1.00 1.30 C ATOM 94 CD LYS A 125 16.660 -3.026 -7.441 1.00 1.71 C ATOM 95 CE LYS A 125 17.317 -4.380 -7.661 1.00 2.44 C ATOM 96 NZ LYS A 125 16.687 -5.131 -8.779 1.00 2.99 N ATOM 0 H LYS A 125 15.508 -1.612 -3.265 1.00 0.61 H new ATOM 0 HA LYS A 125 17.827 -0.225 -4.476 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.356 -1.314 -5.887 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.600 -0.334 -6.636 1.00 0.63 H new ATOM 0 HG2 LYS A 125 18.255 -2.079 -6.356 1.00 1.30 H new ATOM 0 HG3 LYS A 125 17.173 -3.026 -5.354 1.00 1.30 H new ATOM 0 HD2 LYS A 125 15.582 -3.155 -7.342 1.00 1.71 H new ATOM 0 HD3 LYS A 125 16.827 -2.393 -8.313 1.00 1.71 H new ATOM 0 HE2 LYS A 125 18.377 -4.238 -7.872 1.00 2.44 H new ATOM 0 HE3 LYS A 125 17.250 -4.968 -6.746 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 17.165 -6.047 -8.894 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 15.681 -5.289 -8.567 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 16.774 -4.582 -9.658 1.00 2.99 H new ATOM 110 N SER A 126 16.498 1.915 -4.684 1.00 0.66 N ATOM 111 CA SER A 126 15.819 3.193 -4.530 1.00 0.68 C ATOM 112 C SER A 126 14.540 3.234 -5.366 1.00 0.57 C ATOM 113 O SER A 126 14.432 2.563 -6.398 1.00 0.66 O ATOM 114 CB SER A 126 16.756 4.330 -4.937 1.00 0.89 C ATOM 115 OG SER A 126 18.010 4.207 -4.287 1.00 1.37 O ATOM 0 H SER A 126 17.414 1.976 -5.128 1.00 0.66 H new ATOM 0 HA SER A 126 15.542 3.315 -3.483 1.00 0.68 H new ATOM 0 HB2 SER A 126 16.899 4.320 -6.018 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.303 5.289 -4.684 1.00 0.89 H new ATOM 0 HG SER A 126 18.369 5.099 -4.097 1.00 1.37 H new ATOM 121 N VAL A 127 13.566 4.006 -4.902 1.00 0.52 N ATOM 122 CA VAL A 127 12.299 4.146 -5.601 1.00 0.45 C ATOM 123 C VAL A 127 12.014 5.612 -5.898 1.00 0.58 C ATOM 124 O VAL A 127 12.142 6.472 -5.027 1.00 0.80 O ATOM 125 CB VAL A 127 11.123 3.573 -4.783 1.00 0.50 C ATOM 126 CG1 VAL A 127 9.842 3.591 -5.602 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.427 2.169 -4.301 1.00 0.71 C ATOM 0 H VAL A 127 13.632 4.547 -4.040 1.00 0.52 H new ATOM 0 HA VAL A 127 12.388 3.582 -6.530 1.00 0.45 H new ATOM 0 HB VAL A 127 10.983 4.207 -3.907 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.024 3.183 -5.008 1.00 0.63 H new ATOM 0 HG12 VAL A 127 9.607 4.616 -5.887 1.00 0.63 H new ATOM 0 HG13 VAL A 127 9.975 2.986 -6.499 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.581 1.790 -3.727 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.604 1.520 -5.159 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.315 2.185 -3.670 1.00 0.71 H new ATOM 137 N TYR A 128 11.651 5.887 -7.137 1.00 0.60 N ATOM 138 CA TYR A 128 11.270 7.228 -7.561 1.00 0.78 C ATOM 139 C TYR A 128 9.750 7.389 -7.499 1.00 0.58 C ATOM 140 O TYR A 128 9.054 6.464 -7.089 1.00 0.48 O ATOM 141 CB TYR A 128 11.787 7.488 -8.978 1.00 1.14 C ATOM 142 CG TYR A 128 11.584 6.307 -9.895 1.00 2.06 C ATOM 143 CD1 TYR A 128 10.309 5.890 -10.258 1.00 2.76 C ATOM 144 CD2 TYR A 128 12.668 5.627 -10.416 1.00 2.80 C ATOM 145 CE1 TYR A 128 10.128 4.820 -11.113 1.00 3.69 C ATOM 146 CE2 TYR A 128 12.500 4.564 -11.269 1.00 3.75 C ATOM 147 CZ TYR A 128 11.188 4.111 -11.547 1.00 4.06 C ATOM 148 OH TYR A 128 11.059 3.091 -12.469 1.00 5.08 O ATOM 0 H TYR A 128 11.611 5.190 -7.880 1.00 0.60 H new ATOM 0 HA TYR A 128 11.717 7.959 -6.887 1.00 0.78 H new ATOM 0 HB2 TYR A 128 11.277 8.357 -9.393 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.849 7.731 -8.935 1.00 1.14 H new ATOM 0 HD1 TYR A 128 9.447 6.410 -9.866 1.00 2.76 H new ATOM 0 HD2 TYR A 128 13.667 5.937 -10.147 1.00 2.80 H new ATOM 0 HE1 TYR A 128 9.133 4.551 -11.435 1.00 3.69 H new ATOM 0 HE2 TYR A 128 13.355 4.082 -11.720 1.00 3.75 H new ATOM 0 HH TYR A 128 11.940 2.703 -12.654 1.00 5.08 H new ATOM 158 N ALA A 129 9.238 8.537 -7.920 1.00 0.69 N ATOM 159 CA ALA A 129 7.807 8.828 -7.813 1.00 0.74 C ATOM 160 C ALA A 129 6.942 7.867 -8.639 1.00 0.75 C ATOM 161 O ALA A 129 5.916 7.381 -8.159 1.00 0.87 O ATOM 162 CB ALA A 129 7.531 10.265 -8.231 1.00 0.95 C ATOM 0 H ALA A 129 9.789 9.286 -8.340 1.00 0.69 H new ATOM 0 HA ALA A 129 7.533 8.687 -6.767 1.00 0.74 H new ATOM 0 HB1 ALA A 129 6.464 10.470 -8.147 1.00 0.95 H new ATOM 0 HB2 ALA A 129 8.083 10.945 -7.582 1.00 0.95 H new ATOM 0 HB3 ALA A 129 7.849 10.411 -9.263 1.00 0.95 H new ATOM 168 N ALA A 130 7.373 7.583 -9.866 1.00 0.80 N ATOM 169 CA ALA A 130 6.575 6.794 -10.813 1.00 1.00 C ATOM 170 C ALA A 130 6.205 5.413 -10.264 1.00 0.91 C ATOM 171 O ALA A 130 5.055 4.984 -10.373 1.00 1.16 O ATOM 172 CB ALA A 130 7.315 6.651 -12.134 1.00 1.21 C ATOM 0 H ALA A 130 8.275 7.888 -10.233 1.00 0.80 H new ATOM 0 HA ALA A 130 5.643 7.336 -10.972 1.00 1.00 H new ATOM 0 HB1 ALA A 130 6.712 6.064 -12.827 1.00 1.21 H new ATOM 0 HB2 ALA A 130 7.497 7.639 -12.558 1.00 1.21 H new ATOM 0 HB3 ALA A 130 8.267 6.148 -11.965 1.00 1.21 H new ATOM 178 N GLU A 131 7.170 4.720 -9.677 1.00 0.68 N ATOM 179 CA GLU A 131 6.931 3.379 -9.152 1.00 0.65 C ATOM 180 C GLU A 131 6.591 3.410 -7.672 1.00 0.46 C ATOM 181 O GLU A 131 6.351 2.367 -7.076 1.00 0.50 O ATOM 182 CB GLU A 131 8.155 2.485 -9.364 1.00 0.87 C ATOM 183 CG GLU A 131 8.200 1.811 -10.724 1.00 1.41 C ATOM 184 CD GLU A 131 7.079 0.808 -10.912 1.00 1.70 C ATOM 185 OE1 GLU A 131 7.169 -0.307 -10.355 1.00 1.99 O ATOM 186 OE2 GLU A 131 6.101 1.134 -11.615 1.00 2.44 O ATOM 0 H GLU A 131 8.123 5.060 -9.551 1.00 0.68 H new ATOM 0 HA GLU A 131 6.081 2.971 -9.699 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.056 3.085 -9.237 1.00 0.87 H new ATOM 0 HB3 GLU A 131 8.171 1.718 -8.589 1.00 0.87 H new ATOM 0 HG2 GLU A 131 8.139 2.570 -11.504 1.00 1.41 H new ATOM 0 HG3 GLU A 131 9.159 1.306 -10.844 1.00 1.41 H new ATOM 193 N LYS A 132 6.557 4.603 -7.093 1.00 0.44 N ATOM 194 CA LYS A 132 6.395 4.750 -5.651 1.00 0.42 C ATOM 195 C LYS A 132 5.029 4.264 -5.170 1.00 0.44 C ATOM 196 O LYS A 132 4.030 4.981 -5.249 1.00 0.58 O ATOM 197 CB LYS A 132 6.623 6.210 -5.230 1.00 0.55 C ATOM 198 CG LYS A 132 6.313 6.484 -3.765 1.00 0.65 C ATOM 199 CD LYS A 132 6.519 7.943 -3.389 1.00 1.05 C ATOM 200 CE LYS A 132 7.952 8.392 -3.622 1.00 1.58 C ATOM 201 NZ LYS A 132 8.227 9.718 -3.004 1.00 2.18 N ATOM 0 H LYS A 132 6.639 5.484 -7.600 1.00 0.44 H new ATOM 0 HA LYS A 132 7.148 4.120 -5.177 1.00 0.42 H new ATOM 0 HB2 LYS A 132 7.661 6.477 -5.428 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.003 6.858 -5.850 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.281 6.201 -3.556 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.949 5.858 -3.139 1.00 0.65 H new ATOM 0 HD2 LYS A 132 5.843 8.567 -3.974 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.259 8.088 -2.340 1.00 1.05 H new ATOM 0 HE2 LYS A 132 8.636 7.651 -3.209 1.00 1.58 H new ATOM 0 HE3 LYS A 132 8.146 8.444 -4.693 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 9.215 9.988 -3.186 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 7.592 10.431 -3.416 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 8.067 9.663 -1.978 1.00 2.18 H new ATOM 215 N VAL A 133 5.001 3.030 -4.699 1.00 0.39 N ATOM 216 CA VAL A 133 3.875 2.498 -3.978 1.00 0.44 C ATOM 217 C VAL A 133 4.194 2.557 -2.490 1.00 0.44 C ATOM 218 O VAL A 133 4.950 1.735 -1.978 1.00 0.50 O ATOM 219 CB VAL A 133 3.601 1.049 -4.407 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.536 0.440 -3.531 1.00 1.02 C ATOM 221 CG2 VAL A 133 3.195 0.990 -5.872 1.00 0.88 C ATOM 0 H VAL A 133 5.770 2.369 -4.811 1.00 0.39 H new ATOM 0 HA VAL A 133 2.982 3.085 -4.194 1.00 0.44 H new ATOM 0 HB VAL A 133 4.518 0.472 -4.289 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.350 -0.587 -3.845 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.870 0.448 -2.493 1.00 1.02 H new ATOM 0 HG13 VAL A 133 1.617 1.018 -3.621 1.00 1.02 H new ATOM 0 HG21 VAL A 133 3.006 -0.045 -6.156 1.00 0.88 H new ATOM 0 HG22 VAL A 133 2.290 1.579 -6.023 1.00 0.88 H new ATOM 0 HG23 VAL A 133 3.998 1.394 -6.489 1.00 0.88 H new ATOM 231 N MET A 134 3.645 3.547 -1.807 1.00 0.54 N ATOM 232 CA MET A 134 4.051 3.834 -0.438 1.00 0.60 C ATOM 233 C MET A 134 3.492 2.830 0.557 1.00 0.57 C ATOM 234 O MET A 134 2.368 2.973 1.040 1.00 0.75 O ATOM 235 CB MET A 134 3.642 5.249 -0.028 1.00 0.83 C ATOM 236 CG MET A 134 4.299 6.338 -0.857 1.00 1.14 C ATOM 237 SD MET A 134 4.100 7.978 -0.133 1.00 1.65 S ATOM 238 CE MET A 134 5.001 7.771 1.401 1.00 1.78 C ATOM 0 H MET A 134 2.920 4.164 -2.174 1.00 0.54 H new ATOM 0 HA MET A 134 5.138 3.753 -0.418 1.00 0.60 H new ATOM 0 HB2 MET A 134 2.559 5.344 -0.112 1.00 0.83 H new ATOM 0 HB3 MET A 134 3.895 5.401 1.021 1.00 0.83 H new ATOM 0 HG2 MET A 134 5.361 6.118 -0.962 1.00 1.14 H new ATOM 0 HG3 MET A 134 3.872 6.334 -1.860 1.00 1.14 H new ATOM 0 HE1 MET A 134 5.617 8.651 1.583 1.00 1.78 H new ATOM 0 HE2 MET A 134 4.296 7.646 2.223 1.00 1.78 H new ATOM 0 HE3 MET A 134 5.639 6.890 1.332 1.00 1.78 H new ATOM 248 N GLY A 135 4.281 1.810 0.851 1.00 0.50 N ATOM 249 CA GLY A 135 3.986 0.954 1.973 1.00 0.61 C ATOM 250 C GLY A 135 4.291 1.673 3.268 1.00 0.70 C ATOM 251 O GLY A 135 5.448 1.741 3.688 1.00 0.77 O ATOM 0 H GLY A 135 5.122 1.561 0.330 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.937 0.659 1.950 1.00 0.61 H new ATOM 0 HA3 GLY A 135 4.576 0.040 1.908 1.00 0.61 H new ATOM 255 N GLY A 136 3.267 2.249 3.874 1.00 0.85 N ATOM 256 CA GLY A 136 3.473 3.076 5.040 1.00 1.03 C ATOM 257 C GLY A 136 4.029 4.427 4.651 1.00 1.08 C ATOM 258 O GLY A 136 3.343 5.226 4.010 1.00 1.72 O ATOM 0 H GLY A 136 2.295 2.158 3.578 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.530 3.205 5.570 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.159 2.580 5.726 1.00 1.03 H new ATOM 262 N GLY A 137 5.276 4.678 5.011 1.00 0.94 N ATOM 263 CA GLY A 137 5.922 5.915 4.621 1.00 0.98 C ATOM 264 C GLY A 137 7.084 5.689 3.671 1.00 0.87 C ATOM 265 O GLY A 137 7.908 6.583 3.466 1.00 1.04 O ATOM 0 H GLY A 137 5.855 4.048 5.567 1.00 0.94 H new ATOM 0 HA2 GLY A 137 5.191 6.569 4.146 1.00 0.98 H new ATOM 0 HA3 GLY A 137 6.280 6.431 5.512 1.00 0.98 H new ATOM 269 N LYS A 138 7.149 4.500 3.084 1.00 0.71 N ATOM 270 CA LYS A 138 8.253 4.152 2.191 1.00 0.71 C ATOM 271 C LYS A 138 7.737 3.774 0.806 1.00 0.53 C ATOM 272 O LYS A 138 6.829 2.959 0.690 1.00 0.52 O ATOM 273 CB LYS A 138 9.036 2.968 2.764 1.00 0.92 C ATOM 274 CG LYS A 138 9.581 3.193 4.163 1.00 1.15 C ATOM 275 CD LYS A 138 10.196 1.920 4.715 1.00 1.46 C ATOM 276 CE LYS A 138 10.745 2.117 6.118 1.00 2.11 C ATOM 277 NZ LYS A 138 11.338 0.865 6.659 1.00 2.69 N ATOM 0 H LYS A 138 6.455 3.762 3.208 1.00 0.71 H new ATOM 0 HA LYS A 138 8.901 5.024 2.105 1.00 0.71 H new ATOM 0 HB2 LYS A 138 8.388 2.092 2.777 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.867 2.740 2.096 1.00 0.92 H new ATOM 0 HG2 LYS A 138 10.330 3.985 4.143 1.00 1.15 H new ATOM 0 HG3 LYS A 138 8.779 3.529 4.820 1.00 1.15 H new ATOM 0 HD2 LYS A 138 9.445 1.130 4.727 1.00 1.46 H new ATOM 0 HD3 LYS A 138 10.998 1.588 4.055 1.00 1.46 H new ATOM 0 HE2 LYS A 138 11.501 2.902 6.106 1.00 2.11 H new ATOM 0 HE3 LYS A 138 9.945 2.455 6.777 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 11.702 1.039 7.618 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 10.610 0.123 6.694 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 12.118 0.556 6.044 1.00 2.69 H new ATOM 291 N PRO A 139 8.267 4.397 -0.259 1.00 0.51 N ATOM 292 CA PRO A 139 8.069 3.927 -1.635 1.00 0.46 C ATOM 293 C PRO A 139 8.587 2.509 -1.868 1.00 0.39 C ATOM 294 O PRO A 139 9.766 2.225 -1.670 1.00 0.51 O ATOM 295 CB PRO A 139 8.898 4.909 -2.472 1.00 0.60 C ATOM 296 CG PRO A 139 9.822 5.548 -1.504 1.00 0.72 C ATOM 297 CD PRO A 139 9.035 5.647 -0.240 1.00 0.63 C ATOM 0 HA PRO A 139 7.009 3.893 -1.885 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.446 4.392 -3.260 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.262 5.648 -2.959 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.724 4.952 -1.364 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.141 6.531 -1.850 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.679 5.717 0.637 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.387 6.524 -0.230 1.00 0.63 H new ATOM 305 N TRP A 140 7.688 1.632 -2.268 1.00 0.34 N ATOM 306 CA TRP A 140 8.050 0.312 -2.767 1.00 0.33 C ATOM 307 C TRP A 140 7.812 0.321 -4.274 1.00 0.31 C ATOM 308 O TRP A 140 7.313 1.316 -4.797 1.00 0.38 O ATOM 309 CB TRP A 140 7.189 -0.778 -2.106 1.00 0.40 C ATOM 310 CG TRP A 140 7.306 -0.855 -0.605 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.264 0.179 0.283 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.445 -2.042 0.183 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.382 -0.288 1.568 1.00 0.61 N ATOM 314 CE2 TRP A 140 7.494 -1.648 1.534 1.00 0.58 C ATOM 315 CE3 TRP A 140 7.532 -3.398 -0.124 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.631 -2.564 2.573 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.670 -4.306 0.907 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.718 -3.887 2.241 1.00 0.78 C ATOM 0 H TRP A 140 6.684 1.811 -2.258 1.00 0.34 H new ATOM 0 HA TRP A 140 9.092 0.092 -2.534 1.00 0.33 H new ATOM 0 HB2 TRP A 140 6.145 -0.604 -2.366 1.00 0.40 H new ATOM 0 HB3 TRP A 140 7.465 -1.744 -2.528 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.153 1.219 0.013 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.385 0.287 2.411 1.00 0.61 H new ATOM 0 HE3 TRP A 140 7.492 -3.733 -1.150 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.667 -2.241 3.603 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.742 -5.359 0.679 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.826 -4.623 3.024 1.00 0.78 H new ATOM 329 N HIS A 141 8.155 -0.753 -4.975 1.00 0.34 N ATOM 330 CA HIS A 141 7.880 -0.817 -6.410 1.00 0.34 C ATOM 331 C HIS A 141 6.586 -1.589 -6.633 1.00 0.40 C ATOM 332 O HIS A 141 6.185 -2.360 -5.764 1.00 0.51 O ATOM 333 CB HIS A 141 9.013 -1.490 -7.202 1.00 0.42 C ATOM 334 CG HIS A 141 10.384 -0.942 -6.947 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.404 -1.749 -6.509 1.00 0.68 N ATOM 336 CD2 HIS A 141 10.866 0.315 -7.116 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.475 -0.986 -6.413 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.200 0.280 -6.773 1.00 0.72 N ATOM 0 H HIS A 141 8.614 -1.577 -4.586 1.00 0.34 H new ATOM 0 HA HIS A 141 7.794 0.207 -6.773 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.016 -2.555 -6.968 1.00 0.42 H new ATOM 0 HB3 HIS A 141 8.795 -1.398 -8.266 1.00 0.42 H new ATOM 0 HD2 HIS A 141 10.311 1.177 -7.454 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.445 -1.332 -6.088 1.00 0.71 H new ATOM 0 HE2 HIS A 141 12.853 1.063 -6.789 1.00 0.72 H new ATOM 346 N LYS A 142 5.938 -1.409 -7.774 1.00 0.49 N ATOM 347 CA LYS A 142 4.629 -2.031 -7.996 1.00 0.65 C ATOM 348 C LYS A 142 4.694 -3.562 -7.947 1.00 0.71 C ATOM 349 O LYS A 142 3.851 -4.209 -7.324 1.00 0.89 O ATOM 350 CB LYS A 142 4.033 -1.587 -9.333 1.00 0.85 C ATOM 351 CG LYS A 142 3.761 -0.094 -9.419 1.00 1.52 C ATOM 352 CD LYS A 142 2.929 0.251 -10.643 1.00 1.88 C ATOM 353 CE LYS A 142 2.684 1.749 -10.751 1.00 2.60 C ATOM 354 NZ LYS A 142 3.910 2.491 -11.149 1.00 3.19 N ATOM 0 H LYS A 142 6.284 -0.848 -8.552 1.00 0.49 H new ATOM 0 HA LYS A 142 3.986 -1.696 -7.182 1.00 0.65 H new ATOM 0 HB2 LYS A 142 4.715 -1.869 -10.135 1.00 0.85 H new ATOM 0 HB3 LYS A 142 3.101 -2.127 -9.502 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.240 0.234 -8.519 1.00 1.52 H new ATOM 0 HG3 LYS A 142 4.706 0.448 -9.456 1.00 1.52 H new ATOM 0 HD2 LYS A 142 3.438 -0.100 -11.540 1.00 1.88 H new ATOM 0 HD3 LYS A 142 1.974 -0.272 -10.593 1.00 1.88 H new ATOM 0 HE2 LYS A 142 1.896 1.935 -11.481 1.00 2.60 H new ATOM 0 HE3 LYS A 142 2.327 2.127 -9.793 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 4.051 3.298 -10.509 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 4.733 1.857 -11.093 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 3.805 2.837 -12.124 1.00 3.19 H new ATOM 368 N THR A 143 5.710 -4.136 -8.578 1.00 0.69 N ATOM 369 CA THR A 143 5.778 -5.583 -8.767 1.00 0.84 C ATOM 370 C THR A 143 6.128 -6.339 -7.482 1.00 0.84 C ATOM 371 O THR A 143 5.630 -7.442 -7.246 1.00 1.10 O ATOM 372 CB THR A 143 6.802 -5.931 -9.861 1.00 0.95 C ATOM 373 OG1 THR A 143 7.965 -5.103 -9.715 1.00 1.38 O ATOM 374 CG2 THR A 143 6.207 -5.738 -11.247 1.00 1.47 C ATOM 0 H THR A 143 6.500 -3.623 -8.969 1.00 0.69 H new ATOM 0 HA THR A 143 4.781 -5.901 -9.070 1.00 0.84 H new ATOM 0 HB THR A 143 7.080 -6.979 -9.750 1.00 0.95 H new ATOM 0 HG1 THR A 143 8.616 -5.328 -10.412 1.00 1.38 H new ATOM 0 HG21 THR A 143 6.952 -5.991 -12.001 1.00 1.47 H new ATOM 0 HG22 THR A 143 5.338 -6.386 -11.363 1.00 1.47 H new ATOM 0 HG23 THR A 143 5.904 -4.698 -11.371 1.00 1.47 H new ATOM 382 N CYS A 144 6.971 -5.745 -6.659 1.00 0.68 N ATOM 383 CA CYS A 144 7.477 -6.400 -5.463 1.00 0.76 C ATOM 384 C CYS A 144 6.584 -6.122 -4.262 1.00 0.81 C ATOM 385 O CYS A 144 6.534 -6.919 -3.321 1.00 0.96 O ATOM 386 CB CYS A 144 8.860 -5.872 -5.206 1.00 0.73 C ATOM 387 SG CYS A 144 8.924 -4.094 -5.514 1.00 1.14 S ATOM 0 H CYS A 144 7.325 -4.798 -6.798 1.00 0.68 H new ATOM 0 HA CYS A 144 7.492 -7.479 -5.614 1.00 0.76 H new ATOM 0 HB2 CYS A 144 9.149 -6.079 -4.176 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.577 -6.384 -5.848 1.00 0.73 H new ATOM 392 N PHE A 145 5.924 -4.965 -4.280 1.00 0.80 N ATOM 393 CA PHE A 145 4.921 -4.640 -3.278 1.00 0.86 C ATOM 394 C PHE A 145 3.743 -5.582 -3.457 1.00 0.79 C ATOM 395 O PHE A 145 2.738 -5.240 -4.071 1.00 0.81 O ATOM 396 CB PHE A 145 4.472 -3.180 -3.417 1.00 0.94 C ATOM 397 CG PHE A 145 3.607 -2.698 -2.287 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.234 -2.842 -2.346 1.00 1.05 C ATOM 399 CD2 PHE A 145 4.166 -2.109 -1.168 1.00 1.03 C ATOM 400 CE1 PHE A 145 1.431 -2.409 -1.311 1.00 1.13 C ATOM 401 CE2 PHE A 145 3.372 -1.671 -0.130 1.00 1.10 C ATOM 402 CZ PHE A 145 2.016 -1.786 -0.204 1.00 1.13 C ATOM 0 H PHE A 145 6.069 -4.238 -4.981 1.00 0.80 H new ATOM 0 HA PHE A 145 5.342 -4.760 -2.280 1.00 0.86 H new ATOM 0 HB2 PHE A 145 5.354 -2.544 -3.483 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.926 -3.066 -4.354 1.00 0.94 H new ATOM 0 HD1 PHE A 145 1.783 -3.300 -3.214 1.00 1.05 H new ATOM 0 HD2 PHE A 145 5.238 -1.991 -1.107 1.00 1.03 H new ATOM 0 HE1 PHE A 145 0.361 -2.550 -1.355 1.00 1.13 H new ATOM 0 HE2 PHE A 145 3.827 -1.234 0.747 1.00 1.10 H new ATOM 0 HZ PHE A 145 1.395 -1.397 0.590 1.00 1.13 H new ATOM 412 N ARG A 146 3.895 -6.781 -2.941 1.00 0.76 N ATOM 413 CA ARG A 146 2.939 -7.831 -3.180 1.00 0.69 C ATOM 414 C ARG A 146 2.632 -8.564 -1.891 1.00 0.66 C ATOM 415 O ARG A 146 3.503 -8.706 -1.025 1.00 0.95 O ATOM 416 CB ARG A 146 3.503 -8.789 -4.238 1.00 0.77 C ATOM 417 CG ARG A 146 4.686 -9.620 -3.770 1.00 1.08 C ATOM 418 CD ARG A 146 5.574 -10.030 -4.934 1.00 1.13 C ATOM 419 NE ARG A 146 4.809 -10.538 -6.073 1.00 1.61 N ATOM 420 CZ ARG A 146 5.360 -10.938 -7.220 1.00 1.86 C ATOM 421 NH1 ARG A 146 6.682 -11.007 -7.338 1.00 1.73 N ATOM 422 NH2 ARG A 146 4.583 -11.295 -8.236 1.00 2.78 N ATOM 0 H ARG A 146 4.680 -7.052 -2.348 1.00 0.76 H new ATOM 0 HA ARG A 146 2.006 -7.404 -3.549 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.708 -9.461 -4.561 1.00 0.77 H new ATOM 0 HB3 ARG A 146 3.805 -8.209 -5.110 1.00 0.77 H new ATOM 0 HG2 ARG A 146 5.270 -9.049 -3.049 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.326 -10.510 -3.255 1.00 1.08 H new ATOM 0 HD2 ARG A 146 6.168 -9.173 -5.253 1.00 1.13 H new ATOM 0 HD3 ARG A 146 6.274 -10.796 -4.600 1.00 1.13 H new ATOM 0 HE ARG A 146 3.794 -10.589 -5.985 1.00 1.61 H new ATOM 0 HH11 ARG A 146 7.278 -10.754 -6.550 1.00 1.73 H new ATOM 0 HH12 ARG A 146 7.100 -11.313 -8.216 1.00 1.73 H new ATOM 0 HH21 ARG A 146 3.568 -11.263 -8.138 1.00 2.78 H new ATOM 0 HH22 ARG A 146 5.001 -11.601 -9.115 1.00 2.78 H new ATOM 436 N CYS A 147 1.395 -8.999 -1.740 1.00 0.42 N ATOM 437 CA CYS A 147 1.038 -9.788 -0.585 1.00 0.43 C ATOM 438 C CYS A 147 1.510 -11.210 -0.797 1.00 0.52 C ATOM 439 O CYS A 147 1.356 -11.776 -1.898 1.00 0.53 O ATOM 440 CB CYS A 147 -0.460 -9.737 -0.305 1.00 0.43 C ATOM 441 SG CYS A 147 -1.326 -11.329 -0.437 1.00 0.68 S ATOM 0 H CYS A 147 0.633 -8.821 -2.394 1.00 0.42 H new ATOM 0 HA CYS A 147 1.530 -9.370 0.294 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.613 -9.341 0.699 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.919 -9.033 -0.999 1.00 0.43 H new ATOM 446 N ALA A 148 2.108 -11.754 0.258 1.00 0.67 N ATOM 447 CA ALA A 148 2.720 -13.072 0.236 1.00 0.82 C ATOM 448 C ALA A 148 1.682 -14.189 0.223 1.00 0.84 C ATOM 449 O ALA A 148 2.028 -15.354 0.030 1.00 0.98 O ATOM 450 CB ALA A 148 3.641 -13.226 1.439 1.00 1.02 C ATOM 0 H ALA A 148 2.181 -11.285 1.161 1.00 0.67 H new ATOM 0 HA ALA A 148 3.295 -13.157 -0.686 1.00 0.82 H new ATOM 0 HB1 ALA A 148 4.100 -14.215 1.422 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.420 -12.464 1.401 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.064 -13.110 2.356 1.00 1.02 H new ATOM 456 N ILE A 149 0.417 -13.841 0.429 1.00 0.76 N ATOM 457 CA ILE A 149 -0.639 -14.838 0.451 1.00 0.84 C ATOM 458 C ILE A 149 -0.876 -15.380 -0.952 1.00 0.85 C ATOM 459 O ILE A 149 -1.073 -16.583 -1.138 1.00 1.00 O ATOM 460 CB ILE A 149 -1.964 -14.273 1.017 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.766 -13.812 2.463 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.074 -15.314 0.937 1.00 0.97 C ATOM 463 CD1 ILE A 149 -3.026 -13.264 3.103 1.00 1.02 C ATOM 0 H ILE A 149 0.102 -12.883 0.582 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.310 -15.641 1.110 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.259 -13.415 0.412 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.402 -14.651 3.056 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -0.992 -13.045 2.488 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -3.996 -14.895 1.340 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.230 -15.600 -0.103 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -2.791 -16.193 1.516 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.810 -12.957 4.126 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.379 -12.405 2.533 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.796 -14.036 3.110 1.00 1.02 H new ATOM 475 N CYS A 150 -0.824 -14.498 -1.937 1.00 0.73 N ATOM 476 CA CYS A 150 -1.092 -14.889 -3.302 1.00 0.79 C ATOM 477 C CYS A 150 0.111 -14.609 -4.198 1.00 0.75 C ATOM 478 O CYS A 150 0.316 -15.272 -5.217 1.00 0.87 O ATOM 479 CB CYS A 150 -2.295 -14.116 -3.815 1.00 0.78 C ATOM 480 SG CYS A 150 -1.977 -12.337 -3.975 1.00 0.82 S ATOM 0 H CYS A 150 -0.599 -13.511 -1.813 1.00 0.73 H new ATOM 0 HA CYS A 150 -1.294 -15.960 -3.324 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -2.590 -14.516 -4.785 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.135 -14.270 -3.138 1.00 0.78 H new ATOM 485 N GLY A 151 0.895 -13.611 -3.805 1.00 0.66 N ATOM 486 CA GLY A 151 2.003 -13.156 -4.615 1.00 0.70 C ATOM 487 C GLY A 151 1.583 -12.041 -5.550 1.00 0.66 C ATOM 488 O GLY A 151 2.178 -11.855 -6.613 1.00 0.76 O ATOM 0 H GLY A 151 0.778 -13.105 -2.927 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.809 -12.807 -3.969 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.398 -13.990 -5.195 1.00 0.70 H new ATOM 492 N LYS A 152 0.569 -11.280 -5.152 1.00 0.58 N ATOM 493 CA LYS A 152 -0.012 -10.272 -6.047 1.00 0.64 C ATOM 494 C LYS A 152 0.618 -8.910 -5.855 1.00 0.56 C ATOM 495 O LYS A 152 0.597 -8.361 -4.755 1.00 0.50 O ATOM 496 CB LYS A 152 -1.519 -10.125 -5.852 1.00 0.80 C ATOM 497 CG LYS A 152 -2.170 -9.117 -6.784 1.00 0.89 C ATOM 498 CD LYS A 152 -3.511 -8.669 -6.238 1.00 1.39 C ATOM 499 CE LYS A 152 -4.241 -7.751 -7.203 1.00 1.75 C ATOM 500 NZ LYS A 152 -4.641 -8.458 -8.447 1.00 2.37 N ATOM 0 H LYS A 152 0.134 -11.336 -4.231 1.00 0.58 H new ATOM 0 HA LYS A 152 0.192 -10.633 -7.055 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.990 -11.097 -5.999 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -1.714 -9.829 -4.821 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -1.516 -8.254 -6.908 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.303 -9.560 -7.771 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.129 -9.543 -6.032 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -3.362 -8.153 -5.289 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -5.127 -7.344 -6.716 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -3.600 -6.907 -7.456 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -5.305 -7.865 -8.985 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -3.798 -8.646 -9.026 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -5.101 -9.358 -8.202 1.00 2.37 H new ATOM 514 N SER A 153 1.160 -8.373 -6.939 1.00 0.67 N ATOM 515 CA SER A 153 1.695 -7.028 -6.950 1.00 0.73 C ATOM 516 C SER A 153 0.565 -6.015 -6.770 1.00 0.76 C ATOM 517 O SER A 153 -0.441 -6.059 -7.485 1.00 0.94 O ATOM 518 CB SER A 153 2.414 -6.785 -8.271 1.00 0.91 C ATOM 519 OG SER A 153 3.277 -7.868 -8.583 1.00 1.46 O ATOM 0 H SER A 153 1.239 -8.860 -7.832 1.00 0.67 H new ATOM 0 HA SER A 153 2.401 -6.910 -6.128 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.683 -6.655 -9.069 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.989 -5.861 -8.212 1.00 0.91 H new ATOM 0 HG SER A 153 4.127 -7.756 -8.108 1.00 1.46 H new ATOM 525 N LEU A 154 0.734 -5.118 -5.819 1.00 0.71 N ATOM 526 CA LEU A 154 -0.295 -4.149 -5.475 1.00 0.76 C ATOM 527 C LEU A 154 0.127 -2.745 -5.890 1.00 0.92 C ATOM 528 O LEU A 154 1.129 -2.564 -6.580 1.00 1.13 O ATOM 529 CB LEU A 154 -0.556 -4.198 -3.969 1.00 0.70 C ATOM 530 CG LEU A 154 -1.130 -5.518 -3.455 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.122 -5.550 -1.936 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.540 -5.718 -3.990 1.00 0.86 C ATOM 0 H LEU A 154 1.585 -5.038 -5.263 1.00 0.71 H new ATOM 0 HA LEU A 154 -1.211 -4.400 -6.011 1.00 0.76 H new ATOM 0 HB2 LEU A 154 0.380 -3.998 -3.447 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.244 -3.394 -3.709 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.503 -6.335 -3.813 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.534 -6.498 -1.590 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.099 -5.446 -1.575 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -1.727 -4.729 -1.552 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.940 -6.661 -3.618 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.176 -4.898 -3.656 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.516 -5.739 -5.080 1.00 0.86 H new ATOM 544 N GLU A 155 -0.650 -1.759 -5.470 1.00 1.24 N ATOM 545 CA GLU A 155 -0.374 -0.367 -5.788 1.00 1.53 C ATOM 546 C GLU A 155 -0.726 0.515 -4.595 1.00 1.73 C ATOM 547 O GLU A 155 -0.766 0.035 -3.467 1.00 2.45 O ATOM 548 CB GLU A 155 -1.160 0.064 -7.029 1.00 1.96 C ATOM 549 CG GLU A 155 -2.655 -0.178 -6.920 1.00 2.39 C ATOM 550 CD GLU A 155 -3.461 1.016 -7.374 1.00 3.01 C ATOM 551 OE1 GLU A 155 -3.727 1.902 -6.539 1.00 3.54 O ATOM 552 OE2 GLU A 155 -3.827 1.077 -8.564 1.00 3.46 O ATOM 0 H GLU A 155 -1.485 -1.900 -4.902 1.00 1.24 H new ATOM 0 HA GLU A 155 0.689 -0.256 -6.005 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -0.985 1.125 -7.209 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -0.776 -0.474 -7.896 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -2.925 -1.046 -7.521 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -2.909 -0.414 -5.886 1.00 2.39 H new ATOM 559 N SER A 156 -0.974 1.796 -4.835 1.00 1.83 N ATOM 560 CA SER A 156 -1.294 2.723 -3.756 1.00 2.22 C ATOM 561 C SER A 156 -2.599 2.335 -3.055 1.00 1.96 C ATOM 562 O SER A 156 -2.728 2.474 -1.837 1.00 2.65 O ATOM 563 CB SER A 156 -1.387 4.147 -4.300 1.00 3.04 C ATOM 564 OG SER A 156 -0.185 4.516 -4.958 1.00 3.58 O ATOM 0 H SER A 156 -0.960 2.216 -5.764 1.00 1.83 H new ATOM 0 HA SER A 156 -0.493 2.673 -3.019 1.00 2.22 H new ATOM 0 HB2 SER A 156 -2.224 4.222 -4.994 1.00 3.04 H new ATOM 0 HB3 SER A 156 -1.587 4.841 -3.483 1.00 3.04 H new ATOM 0 HG SER A 156 -0.267 5.431 -5.300 1.00 3.58 H new ATOM 570 N THR A 157 -3.568 1.849 -3.824 1.00 1.62 N ATOM 571 CA THR A 157 -4.841 1.426 -3.260 1.00 1.69 C ATOM 572 C THR A 157 -5.008 -0.090 -3.359 1.00 1.51 C ATOM 573 O THR A 157 -4.190 -0.768 -3.990 1.00 2.11 O ATOM 574 CB THR A 157 -6.031 2.134 -3.948 1.00 2.15 C ATOM 575 OG1 THR A 157 -5.989 1.937 -5.370 1.00 2.66 O ATOM 576 CG2 THR A 157 -6.022 3.625 -3.638 1.00 2.67 C ATOM 0 H THR A 157 -3.495 1.739 -4.835 1.00 1.62 H new ATOM 0 HA THR A 157 -4.836 1.711 -2.208 1.00 1.69 H new ATOM 0 HB THR A 157 -6.950 1.696 -3.558 1.00 2.15 H new ATOM 0 HG1 THR A 157 -5.159 2.315 -5.728 1.00 2.66 H new ATOM 0 HG21 THR A 157 -6.867 4.104 -4.132 1.00 2.67 H new ATOM 0 HG22 THR A 157 -6.099 3.773 -2.561 1.00 2.67 H new ATOM 0 HG23 THR A 157 -5.093 4.066 -3.999 1.00 2.67 H new ATOM 584 N ASN A 158 -6.072 -0.602 -2.732 1.00 1.17 N ATOM 585 CA ASN A 158 -6.389 -2.036 -2.710 1.00 1.14 C ATOM 586 C ASN A 158 -5.426 -2.786 -1.792 1.00 0.94 C ATOM 587 O ASN A 158 -5.163 -3.975 -1.985 1.00 1.16 O ATOM 588 CB ASN A 158 -6.349 -2.654 -4.118 1.00 1.38 C ATOM 589 CG ASN A 158 -7.253 -1.943 -5.112 1.00 1.61 C ATOM 590 OD1 ASN A 158 -8.435 -2.255 -5.224 1.00 2.30 O ATOM 591 ND2 ASN A 158 -6.696 -1.000 -5.853 1.00 2.09 N ATOM 0 H ASN A 158 -6.744 -0.029 -2.221 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.405 -2.133 -2.327 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -5.324 -2.631 -4.488 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -6.642 -3.702 -4.056 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -7.252 -0.503 -6.548 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.710 -0.770 -5.729 1.00 2.09 H new ATOM 598 N VAL A 159 -4.934 -2.095 -0.769 1.00 0.79 N ATOM 599 CA VAL A 159 -3.898 -2.647 0.099 1.00 0.72 C ATOM 600 C VAL A 159 -4.306 -2.576 1.571 1.00 0.69 C ATOM 601 O VAL A 159 -5.052 -1.687 1.985 1.00 0.83 O ATOM 602 CB VAL A 159 -2.560 -1.890 -0.084 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.435 -2.554 0.701 1.00 1.27 C ATOM 604 CG2 VAL A 159 -2.193 -1.789 -1.556 1.00 1.59 C ATOM 0 H VAL A 159 -5.235 -1.153 -0.520 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.770 -3.691 -0.187 1.00 0.72 H new ATOM 0 HB VAL A 159 -2.695 -0.882 0.309 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.509 -1.998 0.551 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -1.686 -2.561 1.762 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -1.303 -3.578 0.352 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -1.249 -1.253 -1.660 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -2.090 -2.790 -1.975 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -2.976 -1.251 -2.090 1.00 1.59 H new ATOM 614 N THR A 160 -3.821 -3.531 2.346 1.00 0.62 N ATOM 615 CA THR A 160 -3.973 -3.525 3.787 1.00 0.67 C ATOM 616 C THR A 160 -2.630 -3.855 4.438 1.00 0.70 C ATOM 617 O THR A 160 -2.041 -4.900 4.160 1.00 0.81 O ATOM 618 CB THR A 160 -5.035 -4.546 4.234 1.00 0.71 C ATOM 619 OG1 THR A 160 -6.238 -4.358 3.476 1.00 1.16 O ATOM 620 CG2 THR A 160 -5.343 -4.407 5.718 1.00 1.08 C ATOM 0 H THR A 160 -3.308 -4.337 1.989 1.00 0.62 H new ATOM 0 HA THR A 160 -4.303 -2.534 4.099 1.00 0.67 H new ATOM 0 HB THR A 160 -4.638 -5.546 4.058 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.911 -5.011 3.763 1.00 1.16 H new ATOM 0 HG21 THR A 160 -6.096 -5.141 6.004 1.00 1.08 H new ATOM 0 HG22 THR A 160 -4.434 -4.576 6.296 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.719 -3.404 5.919 1.00 1.08 H new ATOM 628 N ASP A 161 -2.138 -2.956 5.281 1.00 0.82 N ATOM 629 CA ASP A 161 -0.839 -3.140 5.922 1.00 0.93 C ATOM 630 C ASP A 161 -0.997 -3.641 7.347 1.00 0.96 C ATOM 631 O ASP A 161 -1.876 -3.186 8.083 1.00 1.06 O ATOM 632 CB ASP A 161 -0.044 -1.826 5.920 1.00 1.18 C ATOM 633 CG ASP A 161 1.194 -1.883 6.804 1.00 1.61 C ATOM 634 OD1 ASP A 161 2.202 -2.496 6.393 1.00 2.27 O ATOM 635 OD2 ASP A 161 1.165 -1.305 7.914 1.00 2.13 O ATOM 0 H ASP A 161 -2.617 -2.093 5.538 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.292 -3.889 5.350 1.00 0.93 H new ATOM 0 HB2 ASP A 161 0.255 -1.589 4.899 1.00 1.18 H new ATOM 0 HB3 ASP A 161 -0.690 -1.016 6.259 1.00 1.18 H new ATOM 640 N LYS A 162 -0.158 -4.593 7.720 1.00 0.98 N ATOM 641 CA LYS A 162 -0.112 -5.077 9.086 1.00 1.10 C ATOM 642 C LYS A 162 1.332 -5.138 9.582 1.00 1.22 C ATOM 643 O LYS A 162 2.033 -6.132 9.376 1.00 1.27 O ATOM 644 CB LYS A 162 -0.777 -6.451 9.209 1.00 1.17 C ATOM 645 CG LYS A 162 -0.743 -7.005 10.626 1.00 1.55 C ATOM 646 CD LYS A 162 -1.416 -8.366 10.717 1.00 1.86 C ATOM 647 CE LYS A 162 -1.224 -8.992 12.090 1.00 2.36 C ATOM 648 NZ LYS A 162 -1.734 -8.120 13.178 1.00 2.95 N ATOM 0 H LYS A 162 0.503 -5.047 7.090 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.668 -4.377 9.709 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -1.813 -6.378 8.879 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.278 -7.151 8.539 1.00 1.17 H new ATOM 0 HG2 LYS A 162 0.292 -7.088 10.959 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -1.240 -6.308 11.301 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -2.481 -8.261 10.509 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -1.006 -9.028 9.954 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.738 -9.953 12.125 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -0.165 -9.191 12.252 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -1.740 -8.649 14.073 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -1.119 -7.287 13.272 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -2.701 -7.812 12.952 1.00 2.95 H new ATOM 662 N ASP A 163 1.769 -4.043 10.199 1.00 1.37 N ATOM 663 CA ASP A 163 3.074 -3.962 10.864 1.00 1.58 C ATOM 664 C ASP A 163 4.227 -4.210 9.897 1.00 1.48 C ATOM 665 O ASP A 163 5.276 -4.725 10.288 1.00 1.94 O ATOM 666 CB ASP A 163 3.151 -4.961 12.024 1.00 1.83 C ATOM 667 CG ASP A 163 2.141 -4.671 13.113 1.00 2.42 C ATOM 668 OD1 ASP A 163 0.962 -5.052 12.950 1.00 2.97 O ATOM 669 OD2 ASP A 163 2.518 -4.069 14.139 1.00 2.80 O ATOM 0 H ASP A 163 1.227 -3.180 10.254 1.00 1.37 H new ATOM 0 HA ASP A 163 3.171 -2.947 11.250 1.00 1.58 H new ATOM 0 HB2 ASP A 163 2.988 -5.969 11.642 1.00 1.83 H new ATOM 0 HB3 ASP A 163 4.154 -4.940 12.450 1.00 1.83 H new ATOM 674 N GLY A 164 4.036 -3.840 8.642 1.00 1.41 N ATOM 675 CA GLY A 164 5.075 -4.029 7.651 1.00 1.46 C ATOM 676 C GLY A 164 4.774 -5.175 6.708 1.00 1.29 C ATOM 677 O GLY A 164 5.461 -5.357 5.707 1.00 1.45 O ATOM 0 H GLY A 164 3.180 -3.412 8.290 1.00 1.41 H new ATOM 0 HA2 GLY A 164 5.195 -3.111 7.076 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.023 -4.216 8.155 1.00 1.46 H new ATOM 681 N GLU A 165 3.759 -5.959 7.033 1.00 1.10 N ATOM 682 CA GLU A 165 3.341 -7.048 6.168 1.00 1.01 C ATOM 683 C GLU A 165 2.197 -6.579 5.277 1.00 0.86 C ATOM 684 O GLU A 165 1.129 -6.210 5.768 1.00 0.92 O ATOM 685 CB GLU A 165 2.911 -8.262 6.993 1.00 1.13 C ATOM 686 CG GLU A 165 3.498 -9.572 6.499 1.00 1.48 C ATOM 687 CD GLU A 165 5.010 -9.547 6.439 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.646 -9.418 7.506 1.00 2.17 O ATOM 689 OE2 GLU A 165 5.572 -9.653 5.329 1.00 2.21 O ATOM 0 H GLU A 165 3.211 -5.861 7.888 1.00 1.10 H new ATOM 0 HA GLU A 165 4.184 -7.347 5.545 1.00 1.01 H new ATOM 0 HB2 GLU A 165 3.208 -8.109 8.031 1.00 1.13 H new ATOM 0 HB3 GLU A 165 1.823 -8.333 6.980 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.178 -10.380 7.157 1.00 1.48 H new ATOM 0 HG3 GLU A 165 3.102 -9.792 5.507 1.00 1.48 H new ATOM 696 N LEU A 166 2.434 -6.575 3.978 1.00 0.77 N ATOM 697 CA LEU A 166 1.459 -6.063 3.026 1.00 0.65 C ATOM 698 C LEU A 166 0.529 -7.175 2.575 1.00 0.55 C ATOM 699 O LEU A 166 0.972 -8.290 2.300 1.00 0.63 O ATOM 700 CB LEU A 166 2.156 -5.448 1.800 1.00 0.71 C ATOM 701 CG LEU A 166 3.167 -4.323 2.077 1.00 0.86 C ATOM 702 CD1 LEU A 166 2.604 -3.315 3.065 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.489 -4.888 2.573 1.00 1.21 C ATOM 0 H LEU A 166 3.295 -6.921 3.555 1.00 0.77 H new ATOM 0 HA LEU A 166 0.880 -5.286 3.525 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.672 -6.246 1.265 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.388 -5.060 1.131 1.00 0.71 H new ATOM 0 HG LEU A 166 3.354 -3.804 1.137 1.00 0.86 H new ATOM 0 HD11 LEU A 166 3.339 -2.530 3.243 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.695 -2.874 2.657 1.00 1.25 H new ATOM 0 HD13 LEU A 166 2.374 -3.816 4.005 1.00 1.25 H new ATOM 0 HD21 LEU A 166 5.186 -4.071 2.761 1.00 1.21 H new ATOM 0 HD22 LEU A 166 4.324 -5.444 3.496 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.906 -5.554 1.818 1.00 1.21 H new ATOM 715 N TYR A 167 -0.754 -6.872 2.516 1.00 0.46 N ATOM 716 CA TYR A 167 -1.753 -7.816 2.039 1.00 0.38 C ATOM 717 C TYR A 167 -2.721 -7.112 1.101 1.00 0.33 C ATOM 718 O TYR A 167 -3.058 -5.948 1.320 1.00 0.45 O ATOM 719 CB TYR A 167 -2.536 -8.410 3.212 1.00 0.46 C ATOM 720 CG TYR A 167 -1.690 -9.175 4.205 1.00 0.62 C ATOM 721 CD1 TYR A 167 -1.211 -10.443 3.906 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.385 -8.635 5.448 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.450 -11.151 4.816 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.624 -9.335 6.362 1.00 0.97 C ATOM 725 CZ TYR A 167 -0.162 -10.594 6.043 1.00 1.03 C ATOM 726 OH TYR A 167 0.595 -11.298 6.952 1.00 1.23 O ATOM 0 H TYR A 167 -1.135 -5.968 2.796 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.241 -8.619 1.509 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -3.049 -7.604 3.736 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.305 -9.075 2.820 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.437 -10.883 2.946 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.749 -7.651 5.703 1.00 0.79 H new ATOM 0 HE1 TYR A 167 -0.083 -12.136 4.567 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -0.392 -8.899 7.322 1.00 0.97 H new ATOM 0 HH TYR A 167 0.708 -10.765 7.766 1.00 1.23 H new ATOM 736 N CYS A 168 -3.140 -7.798 0.045 1.00 0.30 N ATOM 737 CA CYS A 168 -4.197 -7.287 -0.815 1.00 0.38 C ATOM 738 C CYS A 168 -5.476 -7.166 -0.003 1.00 0.45 C ATOM 739 O CYS A 168 -5.742 -8.000 0.865 1.00 0.47 O ATOM 740 CB CYS A 168 -4.448 -8.237 -1.990 1.00 0.46 C ATOM 741 SG CYS A 168 -2.943 -8.919 -2.750 1.00 0.52 S ATOM 0 H CYS A 168 -2.766 -8.705 -0.235 1.00 0.30 H new ATOM 0 HA CYS A 168 -3.893 -6.316 -1.205 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.071 -9.062 -1.646 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.016 -7.706 -2.754 1.00 0.46 H new ATOM 746 N LYS A 169 -6.271 -6.138 -0.281 1.00 0.60 N ATOM 747 CA LYS A 169 -7.541 -5.981 0.411 1.00 0.72 C ATOM 748 C LYS A 169 -8.446 -7.164 0.090 1.00 0.69 C ATOM 749 O LYS A 169 -9.327 -7.512 0.869 1.00 0.75 O ATOM 750 CB LYS A 169 -8.227 -4.654 0.057 1.00 0.94 C ATOM 751 CG LYS A 169 -8.801 -4.581 -1.351 1.00 1.57 C ATOM 752 CD LYS A 169 -9.560 -3.279 -1.556 1.00 1.97 C ATOM 753 CE LYS A 169 -10.236 -3.221 -2.915 1.00 2.66 C ATOM 754 NZ LYS A 169 -11.291 -4.256 -3.063 1.00 3.12 N ATOM 0 H LYS A 169 -6.062 -5.414 -0.968 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.345 -5.958 1.483 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -9.032 -4.477 0.771 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -7.507 -3.846 0.182 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -7.996 -4.657 -2.082 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.467 -5.427 -1.522 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -10.311 -3.170 -0.773 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -8.872 -2.439 -1.457 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -10.676 -2.234 -3.058 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -9.488 -3.353 -3.697 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -11.869 -4.045 -3.902 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -10.848 -5.190 -3.174 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -11.896 -4.258 -2.217 1.00 3.12 H new ATOM 768 N VAL A 170 -8.208 -7.780 -1.065 1.00 0.70 N ATOM 769 CA VAL A 170 -8.946 -8.967 -1.471 1.00 0.77 C ATOM 770 C VAL A 170 -8.572 -10.153 -0.583 1.00 0.69 C ATOM 771 O VAL A 170 -9.442 -10.858 -0.070 1.00 0.78 O ATOM 772 CB VAL A 170 -8.645 -9.342 -2.940 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.567 -10.453 -3.422 1.00 1.02 C ATOM 774 CG2 VAL A 170 -8.754 -8.124 -3.840 1.00 1.02 C ATOM 0 H VAL A 170 -7.505 -7.473 -1.738 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.007 -8.739 -1.370 1.00 0.77 H new ATOM 0 HB VAL A 170 -7.621 -9.712 -2.988 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.333 -10.696 -4.458 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.426 -11.338 -2.801 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.603 -10.122 -3.352 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -8.538 -8.411 -4.869 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -9.764 -7.717 -3.781 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -8.039 -7.368 -3.517 1.00 1.02 H new ATOM 784 N CYS A 171 -7.270 -10.349 -0.403 1.00 0.58 N ATOM 785 CA CYS A 171 -6.747 -11.459 0.380 1.00 0.59 C ATOM 786 C CYS A 171 -7.038 -11.288 1.868 1.00 0.57 C ATOM 787 O CYS A 171 -7.418 -12.246 2.547 1.00 0.66 O ATOM 788 CB CYS A 171 -5.245 -11.597 0.123 1.00 0.58 C ATOM 789 SG CYS A 171 -4.857 -11.960 -1.619 1.00 0.80 S ATOM 0 H CYS A 171 -6.550 -9.743 -0.796 1.00 0.58 H new ATOM 0 HA CYS A 171 -7.250 -12.374 0.066 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.745 -10.674 0.417 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.845 -12.392 0.753 1.00 0.58 H new ATOM 794 N TYR A 172 -6.876 -10.070 2.369 1.00 0.51 N ATOM 795 CA TYR A 172 -7.111 -9.799 3.779 1.00 0.59 C ATOM 796 C TYR A 172 -8.591 -9.976 4.112 1.00 0.67 C ATOM 797 O TYR A 172 -8.938 -10.575 5.127 1.00 0.76 O ATOM 798 CB TYR A 172 -6.644 -8.387 4.149 1.00 0.65 C ATOM 799 CG TYR A 172 -6.452 -8.185 5.636 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.257 -8.520 6.261 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.472 -7.654 6.414 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.086 -8.333 7.621 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.309 -7.464 7.773 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.086 -7.823 8.371 1.00 1.48 C ATOM 805 OH TYR A 172 -5.949 -7.611 9.726 1.00 1.78 O ATOM 0 H TYR A 172 -6.585 -9.259 1.823 1.00 0.51 H new ATOM 0 HA TYR A 172 -6.532 -10.512 4.366 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.704 -8.178 3.638 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.373 -7.664 3.783 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.449 -8.933 5.676 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.409 -7.385 5.949 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.147 -8.596 8.085 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.108 -7.046 8.368 1.00 1.45 H new ATOM 0 HH TYR A 172 -6.781 -7.237 10.084 1.00 1.78 H new ATOM 815 N ALA A 173 -9.462 -9.476 3.236 1.00 0.72 N ATOM 816 CA ALA A 173 -10.903 -9.600 3.434 1.00 0.87 C ATOM 817 C ALA A 173 -11.362 -11.035 3.192 1.00 0.91 C ATOM 818 O ALA A 173 -12.396 -11.460 3.702 1.00 1.05 O ATOM 819 CB ALA A 173 -11.659 -8.641 2.524 1.00 1.05 C ATOM 0 H ALA A 173 -9.194 -8.982 2.384 1.00 0.72 H new ATOM 0 HA ALA A 173 -11.123 -9.338 4.469 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.731 -8.751 2.689 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.361 -7.617 2.747 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.427 -8.868 1.483 1.00 1.05 H new ATOM 825 N LYS A 174 -10.598 -11.765 2.394 1.00 0.89 N ATOM 826 CA LYS A 174 -10.883 -13.167 2.122 1.00 1.06 C ATOM 827 C LYS A 174 -10.794 -13.980 3.410 1.00 1.08 C ATOM 828 O LYS A 174 -11.630 -14.845 3.675 1.00 1.27 O ATOM 829 CB LYS A 174 -9.889 -13.703 1.090 1.00 1.17 C ATOM 830 CG LYS A 174 -10.161 -15.125 0.634 1.00 1.67 C ATOM 831 CD LYS A 174 -9.103 -15.596 -0.354 1.00 2.21 C ATOM 832 CE LYS A 174 -7.745 -15.761 0.311 1.00 2.63 C ATOM 833 NZ LYS A 174 -7.730 -16.905 1.266 1.00 3.36 N ATOM 0 H LYS A 174 -9.769 -11.407 1.920 1.00 0.89 H new ATOM 0 HA LYS A 174 -11.894 -13.256 1.723 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -9.900 -13.047 0.219 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -8.885 -13.656 1.512 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -10.178 -15.790 1.497 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -11.146 -15.179 0.170 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -9.411 -16.545 -0.792 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -9.023 -14.879 -1.171 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -6.983 -15.916 -0.453 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -7.485 -14.844 0.839 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -7.738 -16.543 2.241 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -8.570 -17.498 1.110 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -6.872 -17.473 1.114 1.00 3.36 H new ATOM 847 N ASN A 175 -9.784 -13.679 4.215 1.00 1.04 N ATOM 848 CA ASN A 175 -9.575 -14.384 5.473 1.00 1.24 C ATOM 849 C ASN A 175 -10.380 -13.744 6.596 1.00 1.33 C ATOM 850 O ASN A 175 -11.034 -14.436 7.373 1.00 1.56 O ATOM 851 CB ASN A 175 -8.089 -14.402 5.838 1.00 1.47 C ATOM 852 CG ASN A 175 -7.258 -15.179 4.837 1.00 1.90 C ATOM 853 OD1 ASN A 175 -7.736 -16.129 4.217 1.00 2.65 O ATOM 854 ND2 ASN A 175 -6.006 -14.788 4.673 1.00 2.25 N ATOM 0 H ASN A 175 -9.096 -12.951 4.020 1.00 1.04 H new ATOM 0 HA ASN A 175 -9.919 -15.410 5.343 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -7.719 -13.378 5.896 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -7.966 -14.842 6.828 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -5.401 -15.278 4.015 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -5.645 -13.996 5.205 1.00 2.25 H new ATOM 861 N PHE A 176 -10.336 -12.419 6.663 1.00 1.30 N ATOM 862 CA PHE A 176 -11.036 -11.674 7.700 1.00 1.58 C ATOM 863 C PHE A 176 -12.227 -10.937 7.105 1.00 2.55 C ATOM 864 O PHE A 176 -12.259 -9.706 7.069 1.00 3.04 O ATOM 865 CB PHE A 176 -10.091 -10.673 8.374 1.00 1.55 C ATOM 866 CG PHE A 176 -8.903 -11.307 9.042 1.00 2.24 C ATOM 867 CD1 PHE A 176 -9.006 -11.824 10.323 1.00 2.73 C ATOM 868 CD2 PHE A 176 -7.687 -11.393 8.384 1.00 2.85 C ATOM 869 CE1 PHE A 176 -7.916 -12.410 10.937 1.00 3.72 C ATOM 870 CE2 PHE A 176 -6.594 -11.978 8.994 1.00 3.93 C ATOM 871 CZ PHE A 176 -6.705 -12.471 10.280 1.00 4.32 C ATOM 0 H PHE A 176 -9.819 -11.835 6.006 1.00 1.30 H new ATOM 0 HA PHE A 176 -11.391 -12.381 8.450 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -9.738 -9.962 7.627 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -10.651 -10.104 9.116 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -9.949 -11.768 10.847 1.00 2.73 H new ATOM 0 HD2 PHE A 176 -7.592 -10.998 7.383 1.00 2.85 H new ATOM 0 HE1 PHE A 176 -8.012 -12.820 11.931 1.00 3.72 H new ATOM 0 HE2 PHE A 176 -5.654 -12.050 8.466 1.00 3.93 H new ATOM 0 HZ PHE A 176 -5.845 -12.903 10.770 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -2.782 -11.144 -2.187 1.00 0.51 ZN HETATM 883 ZN ZN A 191 11.066 -3.336 -5.261 1.00 0.75 ZN