USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 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 157 THR OG1 : rot -127:sc= 1.33 USER MOD Set 1.2: A 158 ASN : amide:sc= 0.0388 X(o=1.4,f=0.95) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 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 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -159:sc= -0.0719 (180deg=-0.41) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ -127:sc= 1.2 (180deg=0.279) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot -9:sc= 0.942 USER MOD Single : A 162 LYS NZ :NH3+ -135:sc= 0.577 (180deg=0.00165) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 127:sc= 1.03 (180deg=0.439) USER MOD Single : A 175 ASN : amide:sc= -0.744 K(o=-0.74,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.106 3.498 0.813 1.00 0.89 N ATOM 2 CA LYS A 119 13.633 2.166 0.558 1.00 0.80 C ATOM 3 C LYS A 119 12.517 1.131 0.637 1.00 0.78 C ATOM 4 O LYS A 119 11.651 1.215 1.507 1.00 0.90 O ATOM 5 CB LYS A 119 14.708 1.820 1.597 1.00 0.93 C ATOM 6 CG LYS A 119 15.976 2.651 1.496 1.00 1.51 C ATOM 7 CD LYS A 119 17.082 1.898 0.774 1.00 1.54 C ATOM 8 CE LYS A 119 17.412 0.593 1.479 1.00 2.16 C ATOM 9 NZ LYS A 119 18.674 -0.005 0.978 1.00 2.76 N ATOM 0 HA LYS A 119 14.068 2.154 -0.441 1.00 0.80 H new ATOM 0 HB2 LYS A 119 14.285 1.946 2.594 1.00 0.93 H new ATOM 0 HB3 LYS A 119 14.970 0.767 1.493 1.00 0.93 H new ATOM 0 HG2 LYS A 119 15.762 3.580 0.967 1.00 1.51 H new ATOM 0 HG3 LYS A 119 16.313 2.924 2.496 1.00 1.51 H new ATOM 0 HD2 LYS A 119 16.775 1.692 -0.252 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.975 2.521 0.721 1.00 1.54 H new ATOM 0 HE2 LYS A 119 17.496 0.771 2.551 1.00 2.16 H new ATOM 0 HE3 LYS A 119 16.594 -0.113 1.336 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 18.862 -0.893 1.485 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 18.586 -0.199 -0.040 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.459 0.658 1.137 1.00 2.76 H new ATOM 23 N CYS A 120 12.547 0.164 -0.268 1.00 0.70 N ATOM 24 CA CYS A 120 11.617 -0.947 -0.235 1.00 0.72 C ATOM 25 C CYS A 120 12.084 -1.988 0.773 1.00 0.76 C ATOM 26 O CYS A 120 13.166 -2.569 0.620 1.00 0.80 O ATOM 27 CB CYS A 120 11.482 -1.598 -1.615 1.00 0.67 C ATOM 28 SG CYS A 120 10.586 -3.184 -1.593 1.00 0.74 S ATOM 0 H CYS A 120 13.213 0.130 -1.040 1.00 0.70 H new ATOM 0 HA CYS A 120 10.642 -0.559 0.061 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.966 -0.909 -2.283 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.477 -1.759 -2.030 1.00 0.67 H new ATOM 33 N PRO A 121 11.277 -2.236 1.812 1.00 0.79 N ATOM 34 CA PRO A 121 11.564 -3.253 2.814 1.00 0.87 C ATOM 35 C PRO A 121 11.101 -4.639 2.371 1.00 0.90 C ATOM 36 O PRO A 121 11.129 -5.595 3.149 1.00 1.00 O ATOM 37 CB PRO A 121 10.760 -2.773 4.019 1.00 0.96 C ATOM 38 CG PRO A 121 9.574 -2.087 3.430 1.00 1.00 C ATOM 39 CD PRO A 121 10.013 -1.530 2.096 1.00 0.82 C ATOM 0 HA PRO A 121 12.631 -3.362 3.010 1.00 0.87 H new ATOM 0 HB2 PRO A 121 10.461 -3.607 4.654 1.00 0.96 H new ATOM 0 HB3 PRO A 121 11.344 -2.093 4.640 1.00 0.96 H new ATOM 0 HG2 PRO A 121 8.746 -2.785 3.305 1.00 1.00 H new ATOM 0 HG3 PRO A 121 9.223 -1.290 4.085 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.269 -1.716 1.321 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.160 -0.451 2.143 1.00 0.82 H new ATOM 47 N ARG A 122 10.665 -4.747 1.120 1.00 0.86 N ATOM 48 CA ARG A 122 10.204 -6.020 0.592 1.00 0.94 C ATOM 49 C ARG A 122 11.309 -6.696 -0.212 1.00 0.90 C ATOM 50 O ARG A 122 11.471 -7.917 -0.160 1.00 1.05 O ATOM 51 CB ARG A 122 8.961 -5.832 -0.283 1.00 0.98 C ATOM 52 CG ARG A 122 8.216 -7.131 -0.531 1.00 0.97 C ATOM 53 CD ARG A 122 7.626 -7.666 0.764 1.00 1.11 C ATOM 54 NE ARG A 122 7.356 -9.099 0.706 1.00 1.54 N ATOM 55 CZ ARG A 122 7.434 -9.903 1.764 1.00 1.95 C ATOM 56 NH1 ARG A 122 7.676 -9.391 2.966 1.00 2.03 N ATOM 57 NH2 ARG A 122 7.263 -11.209 1.625 1.00 2.82 N ATOM 0 H ARG A 122 10.622 -3.972 0.459 1.00 0.86 H new ATOM 0 HA ARG A 122 9.940 -6.657 1.436 1.00 0.94 H new ATOM 0 HB2 ARG A 122 8.290 -5.119 0.195 1.00 0.98 H new ATOM 0 HB3 ARG A 122 9.257 -5.400 -1.239 1.00 0.98 H new ATOM 0 HG2 ARG A 122 7.421 -6.967 -1.259 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.894 -7.869 -0.960 1.00 0.97 H new ATOM 0 HD2 ARG A 122 8.314 -7.462 1.584 1.00 1.11 H new ATOM 0 HD3 ARG A 122 6.701 -7.134 0.985 1.00 1.11 H new ATOM 0 HE ARG A 122 7.094 -9.506 -0.192 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.801 -8.385 3.076 1.00 2.03 H new ATOM 0 HH12 ARG A 122 7.736 -10.004 3.779 1.00 2.03 H new ATOM 0 HH21 ARG A 122 7.071 -11.603 0.704 1.00 2.82 H new ATOM 0 HH22 ARG A 122 7.324 -11.821 2.439 1.00 2.82 H new ATOM 71 N CYS A 123 12.073 -5.901 -0.949 1.00 0.76 N ATOM 72 CA CYS A 123 13.149 -6.442 -1.763 1.00 0.78 C ATOM 73 C CYS A 123 14.518 -6.014 -1.235 1.00 0.76 C ATOM 74 O CYS A 123 15.546 -6.541 -1.658 1.00 0.86 O ATOM 75 CB CYS A 123 12.989 -5.990 -3.215 1.00 0.77 C ATOM 76 SG CYS A 123 11.281 -6.110 -3.841 1.00 0.88 S ATOM 0 H CYS A 123 11.968 -4.888 -0.999 1.00 0.76 H new ATOM 0 HA CYS A 123 13.091 -7.529 -1.712 1.00 0.78 H new ATOM 0 HB2 CYS A 123 13.326 -4.957 -3.303 1.00 0.77 H new ATOM 0 HB3 CYS A 123 13.641 -6.593 -3.847 1.00 0.77 H new ATOM 81 N GLY A 124 14.518 -5.062 -0.305 1.00 0.70 N ATOM 82 CA GLY A 124 15.766 -4.510 0.196 1.00 0.73 C ATOM 83 C GLY A 124 16.441 -3.646 -0.850 1.00 0.71 C ATOM 84 O GLY A 124 17.651 -3.734 -1.066 1.00 0.85 O ATOM 0 H GLY A 124 13.676 -4.663 0.111 1.00 0.70 H new ATOM 0 HA2 GLY A 124 15.572 -3.918 1.091 1.00 0.73 H new ATOM 0 HA3 GLY A 124 16.434 -5.320 0.489 1.00 0.73 H new ATOM 88 N LYS A 125 15.653 -2.792 -1.484 1.00 0.61 N ATOM 89 CA LYS A 125 16.106 -2.039 -2.647 1.00 0.61 C ATOM 90 C LYS A 125 15.699 -0.574 -2.513 1.00 0.57 C ATOM 91 O LYS A 125 14.724 -0.261 -1.841 1.00 0.60 O ATOM 92 CB LYS A 125 15.487 -2.652 -3.907 1.00 0.63 C ATOM 93 CG LYS A 125 16.025 -2.095 -5.216 1.00 1.30 C ATOM 94 CD LYS A 125 17.450 -2.549 -5.476 1.00 1.71 C ATOM 95 CE LYS A 125 17.939 -2.087 -6.840 1.00 2.44 C ATOM 96 NZ LYS A 125 19.318 -2.559 -7.128 1.00 2.99 N ATOM 0 H LYS A 125 14.689 -2.601 -1.211 1.00 0.61 H new ATOM 0 HA LYS A 125 17.193 -2.087 -2.717 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.654 -3.729 -3.890 1.00 0.63 H new ATOM 0 HB3 LYS A 125 14.409 -2.497 -3.878 1.00 0.63 H new ATOM 0 HG2 LYS A 125 15.385 -2.416 -6.038 1.00 1.30 H new ATOM 0 HG3 LYS A 125 15.989 -1.006 -5.190 1.00 1.30 H new ATOM 0 HD2 LYS A 125 18.106 -2.155 -4.700 1.00 1.71 H new ATOM 0 HD3 LYS A 125 17.504 -3.636 -5.418 1.00 1.71 H new ATOM 0 HE2 LYS A 125 17.262 -2.455 -7.611 1.00 2.44 H new ATOM 0 HE3 LYS A 125 17.912 -0.998 -6.885 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 19.611 -2.222 -8.067 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 19.970 -2.188 -6.408 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 19.340 -3.599 -7.111 1.00 2.99 H new ATOM 110 N SER A 126 16.450 0.317 -3.146 1.00 0.66 N ATOM 111 CA SER A 126 16.140 1.740 -3.117 1.00 0.68 C ATOM 112 C SER A 126 14.946 2.044 -4.024 1.00 0.57 C ATOM 113 O SER A 126 14.767 1.395 -5.060 1.00 0.66 O ATOM 114 CB SER A 126 17.366 2.549 -3.556 1.00 0.89 C ATOM 115 OG SER A 126 17.121 3.943 -3.496 1.00 1.37 O ATOM 0 H SER A 126 17.281 0.078 -3.687 1.00 0.66 H new ATOM 0 HA SER A 126 15.877 2.024 -2.098 1.00 0.68 H new ATOM 0 HB2 SER A 126 18.214 2.300 -2.918 1.00 0.89 H new ATOM 0 HB3 SER A 126 17.641 2.271 -4.574 1.00 0.89 H new ATOM 0 HG SER A 126 17.923 4.429 -3.781 1.00 1.37 H new ATOM 121 N VAL A 127 14.121 3.009 -3.621 1.00 0.52 N ATOM 122 CA VAL A 127 12.958 3.412 -4.406 1.00 0.45 C ATOM 123 C VAL A 127 12.857 4.929 -4.451 1.00 0.58 C ATOM 124 O VAL A 127 13.106 5.600 -3.450 1.00 0.80 O ATOM 125 CB VAL A 127 11.633 2.871 -3.819 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.477 3.123 -4.776 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.732 1.394 -3.490 1.00 0.71 C ATOM 0 H VAL A 127 14.239 3.528 -2.751 1.00 0.52 H new ATOM 0 HA VAL A 127 13.100 2.995 -5.403 1.00 0.45 H new ATOM 0 HB VAL A 127 11.443 3.409 -2.890 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.555 2.735 -4.343 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.374 4.194 -4.948 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.673 2.621 -5.723 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.783 1.048 -3.080 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.961 0.834 -4.397 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.523 1.237 -2.757 1.00 0.71 H new ATOM 137 N TYR A 128 12.516 5.474 -5.610 1.00 0.60 N ATOM 138 CA TYR A 128 12.234 6.894 -5.713 1.00 0.78 C ATOM 139 C TYR A 128 10.933 7.119 -6.494 1.00 0.58 C ATOM 140 O TYR A 128 10.276 6.160 -6.906 1.00 0.48 O ATOM 141 CB TYR A 128 13.406 7.640 -6.360 1.00 1.14 C ATOM 142 CG TYR A 128 13.374 9.129 -6.085 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.954 9.599 -4.849 1.00 2.76 C ATOM 144 CD2 TYR A 128 13.732 10.058 -7.051 1.00 2.80 C ATOM 145 CE1 TYR A 128 12.894 10.948 -4.581 1.00 3.69 C ATOM 146 CE2 TYR A 128 13.672 11.415 -6.790 1.00 3.75 C ATOM 147 CZ TYR A 128 13.253 11.854 -5.553 1.00 4.06 C ATOM 148 OH TYR A 128 13.195 13.205 -5.285 1.00 5.08 O ATOM 0 H TYR A 128 12.429 4.957 -6.485 1.00 0.60 H new ATOM 0 HA TYR A 128 12.104 7.297 -4.708 1.00 0.78 H new ATOM 0 HB2 TYR A 128 14.344 7.226 -5.989 1.00 1.14 H new ATOM 0 HB3 TYR A 128 13.388 7.473 -7.437 1.00 1.14 H new ATOM 0 HD1 TYR A 128 12.669 8.893 -4.083 1.00 2.76 H new ATOM 0 HD2 TYR A 128 14.062 9.717 -8.021 1.00 2.80 H new ATOM 0 HE1 TYR A 128 12.566 11.294 -3.612 1.00 3.69 H new ATOM 0 HE2 TYR A 128 13.952 12.127 -7.552 1.00 3.75 H new ATOM 0 HH TYR A 128 13.482 13.708 -6.076 1.00 5.08 H new ATOM 158 N ALA A 129 10.573 8.392 -6.673 1.00 0.69 N ATOM 159 CA ALA A 129 9.244 8.811 -7.131 1.00 0.74 C ATOM 160 C ALA A 129 8.766 8.088 -8.388 1.00 0.75 C ATOM 161 O ALA A 129 7.565 7.845 -8.532 1.00 0.87 O ATOM 162 CB ALA A 129 9.225 10.315 -7.361 1.00 0.95 C ATOM 0 H ALA A 129 11.206 9.174 -6.501 1.00 0.69 H new ATOM 0 HA ALA A 129 8.549 8.536 -6.338 1.00 0.74 H new ATOM 0 HB1 ALA A 129 8.235 10.619 -7.701 1.00 0.95 H new ATOM 0 HB2 ALA A 129 9.462 10.829 -6.429 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.964 10.577 -8.118 1.00 0.95 H new ATOM 168 N ALA A 130 9.701 7.740 -9.276 1.00 0.80 N ATOM 169 CA ALA A 130 9.376 7.111 -10.557 1.00 1.00 C ATOM 170 C ALA A 130 8.536 5.847 -10.389 1.00 0.91 C ATOM 171 O ALA A 130 7.766 5.489 -11.282 1.00 1.16 O ATOM 172 CB ALA A 130 10.648 6.782 -11.323 1.00 1.21 C ATOM 0 H ALA A 130 10.700 7.886 -9.128 1.00 0.80 H new ATOM 0 HA ALA A 130 8.781 7.830 -11.121 1.00 1.00 H new ATOM 0 HB1 ALA A 130 10.390 6.315 -12.273 1.00 1.21 H new ATOM 0 HB2 ALA A 130 11.208 7.698 -11.509 1.00 1.21 H new ATOM 0 HB3 ALA A 130 11.259 6.097 -10.736 1.00 1.21 H new ATOM 178 N GLU A 131 8.688 5.164 -9.263 1.00 0.68 N ATOM 179 CA GLU A 131 7.905 3.966 -9.012 1.00 0.65 C ATOM 180 C GLU A 131 7.468 3.906 -7.550 1.00 0.46 C ATOM 181 O GLU A 131 7.037 2.864 -7.064 1.00 0.50 O ATOM 182 CB GLU A 131 8.704 2.716 -9.389 1.00 0.87 C ATOM 183 CG GLU A 131 7.825 1.528 -9.737 1.00 1.41 C ATOM 184 CD GLU A 131 8.613 0.325 -10.208 1.00 1.70 C ATOM 185 OE1 GLU A 131 9.116 0.349 -11.351 1.00 1.99 O ATOM 186 OE2 GLU A 131 8.716 -0.657 -9.444 1.00 2.44 O ATOM 0 H GLU A 131 9.338 5.416 -8.518 1.00 0.68 H new ATOM 0 HA GLU A 131 7.010 4.002 -9.634 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.347 2.946 -10.239 1.00 0.87 H new ATOM 0 HB3 GLU A 131 9.357 2.446 -8.559 1.00 0.87 H new ATOM 0 HG2 GLU A 131 7.237 1.250 -8.862 1.00 1.41 H new ATOM 0 HG3 GLU A 131 7.120 1.821 -10.515 1.00 1.41 H new ATOM 193 N LYS A 132 7.567 5.038 -6.865 1.00 0.44 N ATOM 194 CA LYS A 132 7.202 5.117 -5.454 1.00 0.42 C ATOM 195 C LYS A 132 5.693 4.954 -5.255 1.00 0.44 C ATOM 196 O LYS A 132 4.927 5.917 -5.354 1.00 0.58 O ATOM 197 CB LYS A 132 7.699 6.443 -4.837 1.00 0.55 C ATOM 198 CG LYS A 132 7.120 6.755 -3.463 1.00 0.65 C ATOM 199 CD LYS A 132 7.941 7.812 -2.735 1.00 1.05 C ATOM 200 CE LYS A 132 8.034 9.111 -3.518 1.00 1.58 C ATOM 201 NZ LYS A 132 8.908 10.102 -2.835 1.00 2.18 N ATOM 0 H LYS A 132 7.898 5.917 -7.264 1.00 0.44 H new ATOM 0 HA LYS A 132 7.692 4.292 -4.937 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.786 6.409 -4.760 1.00 0.55 H new ATOM 0 HB3 LYS A 132 7.453 7.260 -5.515 1.00 0.55 H new ATOM 0 HG2 LYS A 132 6.092 7.102 -3.571 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.087 5.844 -2.866 1.00 0.65 H new ATOM 0 HD2 LYS A 132 7.494 8.009 -1.761 1.00 1.05 H new ATOM 0 HD3 LYS A 132 8.945 7.428 -2.553 1.00 1.05 H new ATOM 0 HE2 LYS A 132 8.424 8.908 -4.515 1.00 1.58 H new ATOM 0 HE3 LYS A 132 7.037 9.532 -3.645 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 8.948 10.976 -3.398 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 8.522 10.314 -1.893 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 9.866 9.710 -2.736 1.00 2.18 H new ATOM 215 N VAL A 133 5.278 3.717 -5.022 1.00 0.39 N ATOM 216 CA VAL A 133 3.928 3.420 -4.570 1.00 0.44 C ATOM 217 C VAL A 133 3.914 3.450 -3.052 1.00 0.44 C ATOM 218 O VAL A 133 4.744 2.810 -2.404 1.00 0.50 O ATOM 219 CB VAL A 133 3.425 2.058 -5.094 1.00 0.49 C ATOM 220 CG1 VAL A 133 3.065 2.161 -6.567 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.470 0.976 -4.896 1.00 0.88 C ATOM 0 H VAL A 133 5.867 2.893 -5.141 1.00 0.39 H new ATOM 0 HA VAL A 133 3.249 4.173 -4.970 1.00 0.44 H new ATOM 0 HB VAL A 133 2.536 1.787 -4.524 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.712 1.193 -6.924 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.279 2.905 -6.698 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.945 2.458 -7.137 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.088 0.028 -5.274 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.378 1.243 -5.437 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.696 0.878 -3.834 1.00 0.88 H new ATOM 231 N MET A 134 3.001 4.216 -2.491 1.00 0.54 N ATOM 232 CA MET A 134 3.019 4.499 -1.064 1.00 0.60 C ATOM 233 C MET A 134 2.491 3.331 -0.240 1.00 0.57 C ATOM 234 O MET A 134 1.312 3.301 0.116 1.00 0.75 O ATOM 235 CB MET A 134 2.189 5.748 -0.761 1.00 0.83 C ATOM 236 CG MET A 134 2.754 7.024 -1.354 1.00 1.14 C ATOM 237 SD MET A 134 4.350 7.473 -0.646 1.00 1.65 S ATOM 238 CE MET A 134 4.652 9.030 -1.477 1.00 1.78 C ATOM 0 H MET A 134 2.234 4.656 -3.000 1.00 0.54 H new ATOM 0 HA MET A 134 4.059 4.666 -0.785 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.178 5.600 -1.140 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.110 5.866 0.320 1.00 0.83 H new ATOM 0 HG2 MET A 134 2.861 6.903 -2.432 1.00 1.14 H new ATOM 0 HG3 MET A 134 2.048 7.838 -1.193 1.00 1.14 H new ATOM 0 HE1 MET A 134 5.606 9.440 -1.146 1.00 1.78 H new ATOM 0 HE2 MET A 134 4.681 8.868 -2.554 1.00 1.78 H new ATOM 0 HE3 MET A 134 3.853 9.732 -1.237 1.00 1.78 H new ATOM 248 N GLY A 135 3.356 2.373 0.056 1.00 0.50 N ATOM 249 CA GLY A 135 3.014 1.354 1.019 1.00 0.61 C ATOM 250 C GLY A 135 3.134 1.890 2.434 1.00 0.70 C ATOM 251 O GLY A 135 4.174 1.733 3.079 1.00 0.77 O ATOM 0 H GLY A 135 4.286 2.285 -0.354 1.00 0.50 H new ATOM 0 HA2 GLY A 135 1.996 1.006 0.842 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.671 0.493 0.894 1.00 0.61 H new ATOM 255 N GLY A 136 2.086 2.560 2.900 1.00 0.85 N ATOM 256 CA GLY A 136 2.089 3.127 4.235 1.00 1.03 C ATOM 257 C GLY A 136 3.040 4.298 4.357 1.00 1.08 C ATOM 258 O GLY A 136 3.689 4.477 5.388 1.00 1.72 O ATOM 0 H GLY A 136 1.228 2.721 2.372 1.00 0.85 H new ATOM 0 HA2 GLY A 136 1.081 3.452 4.492 1.00 1.03 H new ATOM 0 HA3 GLY A 136 2.369 2.357 4.954 1.00 1.03 H new ATOM 262 N GLY A 137 3.132 5.089 3.298 1.00 0.94 N ATOM 263 CA GLY A 137 4.024 6.234 3.297 1.00 0.98 C ATOM 264 C GLY A 137 5.419 5.874 2.832 1.00 0.87 C ATOM 265 O GLY A 137 6.237 6.753 2.558 1.00 1.04 O ATOM 0 H GLY A 137 2.603 4.959 2.435 1.00 0.94 H new ATOM 0 HA2 GLY A 137 3.616 7.009 2.649 1.00 0.98 H new ATOM 0 HA3 GLY A 137 4.075 6.653 4.302 1.00 0.98 H new ATOM 269 N LYS A 138 5.692 4.579 2.743 1.00 0.71 N ATOM 270 CA LYS A 138 6.991 4.099 2.295 1.00 0.71 C ATOM 271 C LYS A 138 6.942 3.779 0.809 1.00 0.53 C ATOM 272 O LYS A 138 6.025 3.106 0.352 1.00 0.52 O ATOM 273 CB LYS A 138 7.398 2.842 3.071 1.00 0.92 C ATOM 274 CG LYS A 138 7.545 3.062 4.567 1.00 1.15 C ATOM 275 CD LYS A 138 7.826 1.752 5.285 1.00 1.46 C ATOM 276 CE LYS A 138 7.985 1.952 6.782 1.00 2.11 C ATOM 277 NZ LYS A 138 8.120 0.657 7.500 1.00 2.69 N ATOM 0 H LYS A 138 5.028 3.840 2.976 1.00 0.71 H new ATOM 0 HA LYS A 138 7.727 4.882 2.477 1.00 0.71 H new ATOM 0 HB2 LYS A 138 6.654 2.064 2.900 1.00 0.92 H new ATOM 0 HB3 LYS A 138 8.343 2.472 2.674 1.00 0.92 H new ATOM 0 HG2 LYS A 138 8.355 3.766 4.757 1.00 1.15 H new ATOM 0 HG3 LYS A 138 6.634 3.510 4.964 1.00 1.15 H new ATOM 0 HD2 LYS A 138 7.012 1.052 5.096 1.00 1.46 H new ATOM 0 HD3 LYS A 138 8.733 1.303 4.880 1.00 1.46 H new ATOM 0 HE2 LYS A 138 8.863 2.568 6.975 1.00 2.11 H new ATOM 0 HE3 LYS A 138 7.123 2.495 7.170 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 8.226 0.835 8.519 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 7.271 0.079 7.336 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 8.957 0.150 7.148 1.00 2.69 H new ATOM 291 N PRO A 139 7.896 4.301 0.031 1.00 0.51 N ATOM 292 CA PRO A 139 8.045 3.945 -1.380 1.00 0.46 C ATOM 293 C PRO A 139 8.323 2.463 -1.583 1.00 0.39 C ATOM 294 O PRO A 139 9.371 1.950 -1.186 1.00 0.51 O ATOM 295 CB PRO A 139 9.259 4.761 -1.835 1.00 0.60 C ATOM 296 CG PRO A 139 9.958 5.129 -0.578 1.00 0.72 C ATOM 297 CD PRO A 139 8.875 5.314 0.434 1.00 0.63 C ATOM 0 HA PRO A 139 7.132 4.152 -1.938 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.905 4.178 -2.491 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.954 5.647 -2.393 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.654 4.348 -0.271 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.539 6.042 -0.704 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.235 5.150 1.450 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.456 6.320 0.402 1.00 0.63 H new ATOM 305 N TRP A 140 7.376 1.783 -2.189 1.00 0.34 N ATOM 306 CA TRP A 140 7.550 0.394 -2.564 1.00 0.33 C ATOM 307 C TRP A 140 7.725 0.307 -4.072 1.00 0.31 C ATOM 308 O TRP A 140 7.719 1.331 -4.756 1.00 0.38 O ATOM 309 CB TRP A 140 6.346 -0.431 -2.104 1.00 0.40 C ATOM 310 CG TRP A 140 6.335 -0.707 -0.627 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.494 0.194 0.387 1.00 0.54 C ATOM 312 CD2 TRP A 140 6.156 -1.978 -0.004 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.428 -0.445 1.601 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.220 -1.780 1.387 1.00 0.58 C ATOM 315 CE3 TRP A 140 5.943 -3.262 -0.492 1.00 0.62 C ATOM 316 CZ2 TRP A 140 6.082 -2.827 2.296 1.00 0.69 C ATOM 317 CZ3 TRP A 140 5.808 -4.303 0.407 1.00 0.76 C ATOM 318 CH2 TRP A 140 5.878 -4.079 1.787 1.00 0.78 C ATOM 0 H TRP A 140 6.466 2.173 -2.436 1.00 0.34 H new ATOM 0 HA TRP A 140 8.438 -0.012 -2.079 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.431 0.096 -2.374 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.338 -1.379 -2.642 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.649 1.254 0.254 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.519 0.003 2.513 1.00 0.61 H new ATOM 0 HE3 TRP A 140 5.884 -3.443 -1.555 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.134 -2.656 3.361 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 5.646 -5.305 0.039 1.00 0.76 H new ATOM 0 HH2 TRP A 140 5.768 -4.913 2.464 1.00 0.78 H new ATOM 329 N HIS A 141 7.880 -0.895 -4.595 1.00 0.34 N ATOM 330 CA HIS A 141 8.038 -1.074 -6.032 1.00 0.34 C ATOM 331 C HIS A 141 6.709 -1.456 -6.648 1.00 0.40 C ATOM 332 O HIS A 141 5.895 -2.114 -6.015 1.00 0.51 O ATOM 333 CB HIS A 141 9.063 -2.168 -6.349 1.00 0.42 C ATOM 334 CG HIS A 141 10.452 -1.864 -5.890 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.178 -2.757 -5.136 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.218 -0.773 -6.134 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.353 -2.199 -4.934 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.428 -0.992 -5.524 1.00 0.72 N ATOM 0 H HIS A 141 7.900 -1.759 -4.053 1.00 0.34 H new ATOM 0 HA HIS A 141 8.393 -0.131 -6.449 1.00 0.34 H new ATOM 0 HB2 HIS A 141 8.736 -3.100 -5.887 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.078 -2.334 -7.426 1.00 0.42 H new ATOM 0 HD2 HIS A 141 10.931 0.101 -6.700 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.154 -2.652 -4.368 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.230 -0.361 -5.519 1.00 0.72 H new ATOM 346 N LYS A 142 6.498 -1.053 -7.888 1.00 0.49 N ATOM 347 CA LYS A 142 5.294 -1.428 -8.613 1.00 0.65 C ATOM 348 C LYS A 142 5.422 -2.876 -9.071 1.00 0.71 C ATOM 349 O LYS A 142 4.433 -3.547 -9.366 1.00 0.89 O ATOM 350 CB LYS A 142 5.080 -0.487 -9.804 1.00 0.85 C ATOM 351 CG LYS A 142 3.896 -0.846 -10.683 1.00 1.52 C ATOM 352 CD LYS A 142 3.734 0.149 -11.817 1.00 1.88 C ATOM 353 CE LYS A 142 2.757 -0.352 -12.865 1.00 2.60 C ATOM 354 NZ LYS A 142 3.270 -1.561 -13.560 1.00 3.19 N ATOM 0 H LYS A 142 7.144 -0.466 -8.416 1.00 0.49 H new ATOM 0 HA LYS A 142 4.425 -1.340 -7.961 1.00 0.65 H new ATOM 0 HB2 LYS A 142 4.944 0.528 -9.430 1.00 0.85 H new ATOM 0 HB3 LYS A 142 5.983 -0.483 -10.415 1.00 0.85 H new ATOM 0 HG2 LYS A 142 4.033 -1.847 -11.091 1.00 1.52 H new ATOM 0 HG3 LYS A 142 2.987 -0.868 -10.082 1.00 1.52 H new ATOM 0 HD2 LYS A 142 3.384 1.102 -11.419 1.00 1.88 H new ATOM 0 HD3 LYS A 142 4.703 0.334 -12.281 1.00 1.88 H new ATOM 0 HE2 LYS A 142 1.802 -0.582 -12.392 1.00 2.60 H new ATOM 0 HE3 LYS A 142 2.570 0.436 -13.595 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 2.784 -1.669 -14.473 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 4.293 -1.461 -13.721 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 3.093 -2.401 -12.973 1.00 3.19 H new ATOM 368 N THR A 143 6.662 -3.351 -9.110 1.00 0.69 N ATOM 369 CA THR A 143 6.945 -4.737 -9.447 1.00 0.84 C ATOM 370 C THR A 143 6.676 -5.656 -8.251 1.00 0.84 C ATOM 371 O THR A 143 6.329 -6.826 -8.420 1.00 1.10 O ATOM 372 CB THR A 143 8.409 -4.901 -9.896 1.00 0.95 C ATOM 373 OG1 THR A 143 8.735 -3.910 -10.880 1.00 1.38 O ATOM 374 CG2 THR A 143 8.653 -6.287 -10.476 1.00 1.47 C ATOM 0 H THR A 143 7.491 -2.791 -8.911 1.00 0.69 H new ATOM 0 HA THR A 143 6.284 -5.018 -10.267 1.00 0.84 H new ATOM 0 HB THR A 143 9.045 -4.773 -9.020 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.668 -4.020 -11.159 1.00 1.38 H new ATOM 0 HG21 THR A 143 9.695 -6.374 -10.785 1.00 1.47 H new ATOM 0 HG22 THR A 143 8.434 -7.041 -9.720 1.00 1.47 H new ATOM 0 HG23 THR A 143 8.005 -6.439 -11.339 1.00 1.47 H new ATOM 382 N CYS A 144 6.830 -5.127 -7.040 1.00 0.68 N ATOM 383 CA CYS A 144 6.613 -5.922 -5.841 1.00 0.76 C ATOM 384 C CYS A 144 5.393 -5.439 -5.080 1.00 0.81 C ATOM 385 O CYS A 144 5.164 -5.849 -3.940 1.00 0.96 O ATOM 386 CB CYS A 144 7.821 -5.858 -4.930 1.00 0.73 C ATOM 387 SG CYS A 144 8.074 -4.230 -4.174 1.00 1.14 S ATOM 0 H CYS A 144 7.102 -4.159 -6.866 1.00 0.68 H new ATOM 0 HA CYS A 144 6.451 -6.952 -6.158 1.00 0.76 H new ATOM 0 HB2 CYS A 144 7.711 -6.602 -4.141 1.00 0.73 H new ATOM 0 HB3 CYS A 144 8.710 -6.127 -5.500 1.00 0.73 H new ATOM 392 N PHE A 145 4.629 -4.552 -5.699 1.00 0.80 N ATOM 393 CA PHE A 145 3.372 -4.109 -5.128 1.00 0.86 C ATOM 394 C PHE A 145 2.382 -5.249 -5.247 1.00 0.79 C ATOM 395 O PHE A 145 1.441 -5.207 -6.033 1.00 0.81 O ATOM 396 CB PHE A 145 2.857 -2.862 -5.848 1.00 0.94 C ATOM 397 CG PHE A 145 2.197 -1.873 -4.931 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.653 -1.706 -3.631 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.131 -1.105 -5.369 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.058 -0.790 -2.786 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.534 -0.186 -4.527 1.00 1.13 C ATOM 402 CZ PHE A 145 0.999 -0.029 -3.235 1.00 1.13 C ATOM 0 H PHE A 145 4.860 -4.126 -6.597 1.00 0.80 H new ATOM 0 HA PHE A 145 3.509 -3.839 -4.081 1.00 0.86 H new ATOM 0 HB2 PHE A 145 3.689 -2.375 -6.356 1.00 0.94 H new ATOM 0 HB3 PHE A 145 2.146 -3.163 -6.617 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.483 -2.299 -3.276 1.00 1.03 H new ATOM 0 HD2 PHE A 145 0.763 -1.225 -6.377 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.421 -0.670 -1.776 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.296 0.409 -4.879 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.533 0.690 -2.577 1.00 1.13 H new ATOM 412 N ARG A 146 2.653 -6.282 -4.479 1.00 0.76 N ATOM 413 CA ARG A 146 1.964 -7.545 -4.564 1.00 0.69 C ATOM 414 C ARG A 146 2.110 -8.274 -3.244 1.00 0.66 C ATOM 415 O ARG A 146 3.200 -8.314 -2.665 1.00 0.95 O ATOM 416 CB ARG A 146 2.562 -8.384 -5.702 1.00 0.77 C ATOM 417 CG ARG A 146 4.062 -8.602 -5.576 1.00 1.08 C ATOM 418 CD ARG A 146 4.652 -9.241 -6.824 1.00 1.13 C ATOM 419 NE ARG A 146 4.221 -10.625 -7.015 1.00 1.61 N ATOM 420 CZ ARG A 146 5.066 -11.638 -7.214 1.00 1.86 C ATOM 421 NH1 ARG A 146 6.377 -11.424 -7.221 1.00 1.73 N ATOM 422 NH2 ARG A 146 4.598 -12.866 -7.403 1.00 2.78 N ATOM 0 H ARG A 146 3.377 -6.263 -3.761 1.00 0.76 H new ATOM 0 HA ARG A 146 0.907 -7.379 -4.771 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.064 -9.353 -5.728 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.353 -7.893 -6.652 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.553 -7.646 -5.391 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.265 -9.237 -4.713 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.366 -8.653 -7.696 1.00 1.13 H new ATOM 0 HD3 ARG A 146 5.740 -9.210 -6.762 1.00 1.13 H new ATOM 0 HE ARG A 146 3.221 -10.827 -6.995 1.00 1.61 H new ATOM 0 HH11 ARG A 146 6.741 -10.483 -7.074 1.00 1.73 H new ATOM 0 HH12 ARG A 146 7.020 -12.201 -7.373 1.00 1.73 H new ATOM 0 HH21 ARG A 146 3.592 -13.035 -7.396 1.00 2.78 H new ATOM 0 HH22 ARG A 146 5.244 -13.640 -7.555 1.00 2.78 H new ATOM 436 N CYS A 147 1.028 -8.842 -2.758 1.00 0.42 N ATOM 437 CA CYS A 147 1.091 -9.554 -1.505 1.00 0.43 C ATOM 438 C CYS A 147 1.543 -10.982 -1.760 1.00 0.52 C ATOM 439 O CYS A 147 1.151 -11.606 -2.766 1.00 0.53 O ATOM 440 CB CYS A 147 -0.245 -9.526 -0.778 1.00 0.43 C ATOM 441 SG CYS A 147 -1.106 -11.115 -0.738 1.00 0.68 S ATOM 0 H CYS A 147 0.110 -8.825 -3.203 1.00 0.42 H new ATOM 0 HA CYS A 147 1.815 -9.058 -0.858 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.081 -9.189 0.246 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.890 -8.789 -1.256 1.00 0.43 H new ATOM 446 N ALA A 148 2.391 -11.470 -0.861 1.00 0.67 N ATOM 447 CA ALA A 148 2.970 -12.803 -0.958 1.00 0.82 C ATOM 448 C ALA A 148 1.969 -13.899 -0.600 1.00 0.84 C ATOM 449 O ALA A 148 2.288 -15.086 -0.694 1.00 0.98 O ATOM 450 CB ALA A 148 4.194 -12.899 -0.064 1.00 1.02 C ATOM 0 H ALA A 148 2.697 -10.948 -0.040 1.00 0.67 H new ATOM 0 HA ALA A 148 3.259 -12.960 -1.997 1.00 0.82 H new ATOM 0 HB1 ALA A 148 4.623 -13.898 -0.140 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.933 -12.162 -0.378 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.906 -12.706 0.969 1.00 1.02 H new ATOM 456 N ILE A 149 0.770 -13.511 -0.181 1.00 0.76 N ATOM 457 CA ILE A 149 -0.269 -14.480 0.148 1.00 0.84 C ATOM 458 C ILE A 149 -0.799 -15.123 -1.125 1.00 0.85 C ATOM 459 O ILE A 149 -1.087 -16.322 -1.161 1.00 1.00 O ATOM 460 CB ILE A 149 -1.438 -13.829 0.922 1.00 0.82 C ATOM 461 CG1 ILE A 149 -0.977 -13.353 2.303 1.00 0.86 C ATOM 462 CG2 ILE A 149 -2.612 -14.792 1.053 1.00 0.97 C ATOM 463 CD1 ILE A 149 -0.495 -14.469 3.204 1.00 1.02 C ATOM 0 H ILE A 149 0.494 -12.536 -0.061 1.00 0.76 H new ATOM 0 HA ILE A 149 0.179 -15.238 0.790 1.00 0.84 H new ATOM 0 HB ILE A 149 -1.773 -12.962 0.353 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -0.173 -12.627 2.177 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -1.801 -12.834 2.792 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -3.420 -14.308 1.602 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -2.965 -15.073 0.061 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -2.292 -15.685 1.591 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -0.185 -14.054 4.163 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -1.303 -15.184 3.361 1.00 1.02 H new ATOM 0 HD13 ILE A 149 0.351 -14.974 2.737 1.00 1.02 H new ATOM 475 N CYS A 150 -0.912 -14.324 -2.174 1.00 0.73 N ATOM 476 CA CYS A 150 -1.403 -14.816 -3.439 1.00 0.79 C ATOM 477 C CYS A 150 -0.312 -14.689 -4.499 1.00 0.75 C ATOM 478 O CYS A 150 -0.298 -15.405 -5.503 1.00 0.87 O ATOM 479 CB CYS A 150 -2.647 -14.020 -3.834 1.00 0.78 C ATOM 480 SG CYS A 150 -2.326 -12.246 -4.083 1.00 0.82 S ATOM 0 H CYS A 150 -0.669 -13.333 -2.169 1.00 0.73 H new ATOM 0 HA CYS A 150 -1.672 -15.869 -3.354 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.060 -14.439 -4.752 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.405 -14.139 -3.060 1.00 0.78 H new ATOM 485 N GLY A 151 0.625 -13.781 -4.236 1.00 0.66 N ATOM 486 CA GLY A 151 1.685 -13.490 -5.175 1.00 0.70 C ATOM 487 C GLY A 151 1.211 -12.548 -6.253 1.00 0.66 C ATOM 488 O GLY A 151 1.806 -12.471 -7.329 1.00 0.76 O ATOM 0 H GLY A 151 0.664 -13.237 -3.374 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.531 -13.049 -4.648 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.039 -14.416 -5.627 1.00 0.70 H new ATOM 492 N LYS A 152 0.152 -11.806 -5.951 1.00 0.58 N ATOM 493 CA LYS A 152 -0.530 -11.009 -6.961 1.00 0.64 C ATOM 494 C LYS A 152 -0.348 -9.514 -6.735 1.00 0.56 C ATOM 495 O LYS A 152 -0.387 -9.037 -5.596 1.00 0.50 O ATOM 496 CB LYS A 152 -2.016 -11.350 -6.968 1.00 0.80 C ATOM 497 CG LYS A 152 -2.882 -10.388 -7.760 1.00 0.89 C ATOM 498 CD LYS A 152 -4.318 -10.452 -7.283 1.00 1.39 C ATOM 499 CE LYS A 152 -4.444 -9.998 -5.834 1.00 1.75 C ATOM 500 NZ LYS A 152 -3.960 -8.605 -5.627 1.00 2.37 N ATOM 0 H LYS A 152 -0.252 -11.740 -5.017 1.00 0.58 H new ATOM 0 HA LYS A 152 -0.084 -11.252 -7.926 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -2.143 -12.353 -7.376 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.374 -11.377 -5.939 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.501 -9.372 -7.651 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.833 -10.634 -8.821 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.942 -9.824 -7.918 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.690 -11.472 -7.380 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -5.487 -10.066 -5.525 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -3.877 -10.675 -5.194 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -3.260 -8.591 -4.858 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -3.519 -8.257 -6.502 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -4.762 -7.992 -5.376 1.00 2.37 H new ATOM 514 N SER A 153 -0.173 -8.789 -7.840 1.00 0.67 N ATOM 515 CA SER A 153 0.034 -7.348 -7.825 1.00 0.73 C ATOM 516 C SER A 153 -1.205 -6.609 -7.322 1.00 0.76 C ATOM 517 O SER A 153 -2.306 -7.164 -7.280 1.00 0.94 O ATOM 518 CB SER A 153 0.390 -6.879 -9.234 1.00 0.91 C ATOM 519 OG SER A 153 1.424 -7.679 -9.786 1.00 1.46 O ATOM 0 H SER A 153 -0.172 -9.193 -8.777 1.00 0.67 H new ATOM 0 HA SER A 153 0.851 -7.122 -7.140 1.00 0.73 H new ATOM 0 HB2 SER A 153 -0.493 -6.927 -9.872 1.00 0.91 H new ATOM 0 HB3 SER A 153 0.707 -5.836 -9.206 1.00 0.91 H new ATOM 0 HG SER A 153 1.635 -7.363 -10.689 1.00 1.46 H new ATOM 525 N LEU A 154 -1.013 -5.350 -6.954 1.00 0.71 N ATOM 526 CA LEU A 154 -2.053 -4.556 -6.331 1.00 0.76 C ATOM 527 C LEU A 154 -2.266 -3.227 -7.026 1.00 0.92 C ATOM 528 O LEU A 154 -1.497 -2.826 -7.901 1.00 1.13 O ATOM 529 CB LEU A 154 -1.691 -4.299 -4.872 1.00 0.70 C ATOM 530 CG LEU A 154 -2.006 -5.451 -3.935 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.371 -5.229 -2.576 1.00 0.85 C ATOM 532 CD2 LEU A 154 -3.512 -5.600 -3.809 1.00 0.86 C ATOM 0 H LEU A 154 -0.131 -4.854 -7.081 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.981 -5.123 -6.408 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.626 -4.076 -4.809 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.223 -3.412 -4.529 1.00 0.70 H new ATOM 0 HG LEU A 154 -1.590 -6.370 -4.347 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.610 -6.067 -1.921 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.289 -5.153 -2.688 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -1.756 -4.307 -2.141 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -3.741 -6.427 -3.137 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.937 -4.679 -3.409 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.941 -5.801 -4.791 1.00 0.86 H new ATOM 544 N GLU A 155 -3.325 -2.556 -6.604 1.00 1.24 N ATOM 545 CA GLU A 155 -3.641 -1.221 -7.055 1.00 1.53 C ATOM 546 C GLU A 155 -3.866 -0.357 -5.819 1.00 1.73 C ATOM 547 O GLU A 155 -4.407 -0.848 -4.826 1.00 2.45 O ATOM 548 CB GLU A 155 -4.881 -1.261 -7.964 1.00 1.96 C ATOM 549 CG GLU A 155 -5.170 0.034 -8.716 1.00 2.39 C ATOM 550 CD GLU A 155 -6.122 0.948 -7.977 1.00 3.01 C ATOM 551 OE1 GLU A 155 -7.346 0.783 -8.122 1.00 3.46 O ATOM 552 OE2 GLU A 155 -5.641 1.842 -7.248 1.00 3.54 O ATOM 0 H GLU A 155 -3.993 -2.932 -5.931 1.00 1.24 H new ATOM 0 HA GLU A 155 -2.828 -0.796 -7.644 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -4.755 -2.065 -8.690 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -5.750 -1.513 -7.357 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -4.233 0.562 -8.893 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -5.590 -0.206 -9.693 1.00 2.39 H new ATOM 559 N SER A 156 -3.434 0.896 -5.871 1.00 1.83 N ATOM 560 CA SER A 156 -3.339 1.752 -4.683 1.00 2.22 C ATOM 561 C SER A 156 -4.616 1.757 -3.829 1.00 1.96 C ATOM 562 O SER A 156 -4.535 1.816 -2.596 1.00 2.65 O ATOM 563 CB SER A 156 -2.994 3.176 -5.104 1.00 3.04 C ATOM 564 OG SER A 156 -1.809 3.198 -5.886 1.00 3.58 O ATOM 0 H SER A 156 -3.139 1.353 -6.734 1.00 1.83 H new ATOM 0 HA SER A 156 -2.549 1.335 -4.058 1.00 2.22 H new ATOM 0 HB2 SER A 156 -3.820 3.601 -5.675 1.00 3.04 H new ATOM 0 HB3 SER A 156 -2.863 3.800 -4.220 1.00 3.04 H new ATOM 0 HG SER A 156 -1.606 4.121 -6.147 1.00 3.58 H new ATOM 570 N THR A 157 -5.777 1.685 -4.478 1.00 1.62 N ATOM 571 CA THR A 157 -7.063 1.725 -3.781 1.00 1.69 C ATOM 572 C THR A 157 -7.200 0.612 -2.740 1.00 1.51 C ATOM 573 O THR A 157 -7.756 0.829 -1.664 1.00 2.11 O ATOM 574 CB THR A 157 -8.244 1.617 -4.770 1.00 2.15 C ATOM 575 OG1 THR A 157 -8.078 0.468 -5.614 1.00 2.66 O ATOM 576 CG2 THR A 157 -8.359 2.871 -5.622 1.00 2.67 C ATOM 0 H THR A 157 -5.854 1.598 -5.491 1.00 1.62 H new ATOM 0 HA THR A 157 -7.092 2.688 -3.271 1.00 1.69 H new ATOM 0 HB THR A 157 -9.161 1.510 -4.191 1.00 2.15 H new ATOM 0 HG1 THR A 157 -8.140 0.740 -6.553 1.00 2.66 H new ATOM 0 HG21 THR A 157 -9.199 2.768 -6.309 1.00 2.67 H new ATOM 0 HG22 THR A 157 -8.521 3.735 -4.978 1.00 2.67 H new ATOM 0 HG23 THR A 157 -7.440 3.010 -6.191 1.00 2.67 H new ATOM 584 N ASN A 158 -6.683 -0.567 -3.048 1.00 1.17 N ATOM 585 CA ASN A 158 -6.918 -1.732 -2.207 1.00 1.14 C ATOM 586 C ASN A 158 -5.619 -2.327 -1.659 1.00 0.94 C ATOM 587 O ASN A 158 -5.459 -3.549 -1.605 1.00 1.16 O ATOM 588 CB ASN A 158 -7.728 -2.787 -2.976 1.00 1.38 C ATOM 589 CG ASN A 158 -7.089 -3.206 -4.293 1.00 1.61 C ATOM 590 OD1 ASN A 158 -6.349 -4.185 -4.361 1.00 2.30 O ATOM 591 ND2 ASN A 158 -7.376 -2.463 -5.353 1.00 2.09 N ATOM 0 H ASN A 158 -6.102 -0.743 -3.868 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.497 -1.402 -1.344 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -7.852 -3.668 -2.346 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -8.725 -2.394 -3.175 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -6.978 -2.697 -6.263 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -7.994 -1.657 -5.259 1.00 2.09 H new ATOM 598 N VAL A 159 -4.705 -1.461 -1.232 1.00 0.79 N ATOM 599 CA VAL A 159 -3.478 -1.915 -0.579 1.00 0.72 C ATOM 600 C VAL A 159 -3.655 -1.871 0.942 1.00 0.69 C ATOM 601 O VAL A 159 -4.346 -0.995 1.467 1.00 0.83 O ATOM 602 CB VAL A 159 -2.239 -1.065 -0.979 1.00 0.94 C ATOM 603 CG1 VAL A 159 -2.119 -0.930 -2.489 1.00 1.27 C ATOM 604 CG2 VAL A 159 -2.261 0.308 -0.324 1.00 1.59 C ATOM 0 H VAL A 159 -4.788 -0.449 -1.324 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.296 -2.937 -0.912 1.00 0.72 H new ATOM 0 HB VAL A 159 -1.361 -1.598 -0.613 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -1.242 -0.330 -2.732 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -2.017 -1.919 -2.936 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -3.012 -0.444 -2.883 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -1.379 0.871 -0.629 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -3.158 0.844 -0.633 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -2.262 0.194 0.760 1.00 1.59 H new ATOM 614 N THR A 160 -3.064 -2.829 1.650 1.00 0.62 N ATOM 615 CA THR A 160 -3.121 -2.840 3.110 1.00 0.67 C ATOM 616 C THR A 160 -1.740 -3.096 3.714 1.00 0.70 C ATOM 617 O THR A 160 -1.008 -3.984 3.271 1.00 0.81 O ATOM 618 CB THR A 160 -4.127 -3.888 3.640 1.00 0.71 C ATOM 619 OG1 THR A 160 -3.871 -5.168 3.054 1.00 1.16 O ATOM 620 CG2 THR A 160 -5.562 -3.473 3.347 1.00 1.08 C ATOM 0 H THR A 160 -2.543 -3.604 1.240 1.00 0.62 H new ATOM 0 HA THR A 160 -3.465 -1.853 3.418 1.00 0.67 H new ATOM 0 HB THR A 160 -3.998 -3.952 4.720 1.00 0.71 H new ATOM 0 HG1 THR A 160 -3.214 -5.072 2.333 1.00 1.16 H new ATOM 0 HG21 THR A 160 -6.245 -4.230 3.732 1.00 1.08 H new ATOM 0 HG22 THR A 160 -5.770 -2.518 3.829 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.699 -3.374 2.270 1.00 1.08 H new ATOM 628 N ASP A 161 -1.387 -2.301 4.714 1.00 0.82 N ATOM 629 CA ASP A 161 -0.091 -2.411 5.370 1.00 0.93 C ATOM 630 C ASP A 161 -0.186 -3.321 6.579 1.00 0.96 C ATOM 631 O ASP A 161 -1.118 -3.189 7.374 1.00 1.06 O ATOM 632 CB ASP A 161 0.394 -1.040 5.850 1.00 1.18 C ATOM 633 CG ASP A 161 0.369 0.012 4.768 1.00 1.61 C ATOM 634 OD1 ASP A 161 1.213 -0.058 3.844 1.00 2.27 O ATOM 635 OD2 ASP A 161 -0.498 0.899 4.825 1.00 2.13 O ATOM 0 H ASP A 161 -1.986 -1.567 5.092 1.00 0.82 H new ATOM 0 HA ASP A 161 0.610 -2.820 4.642 1.00 0.93 H new ATOM 0 HB2 ASP A 161 -0.230 -0.712 6.681 1.00 1.18 H new ATOM 0 HB3 ASP A 161 1.410 -1.135 6.232 1.00 1.18 H new ATOM 640 N LYS A 162 0.765 -4.238 6.715 1.00 0.98 N ATOM 641 CA LYS A 162 0.878 -5.039 7.929 1.00 1.10 C ATOM 642 C LYS A 162 2.332 -5.299 8.304 1.00 1.22 C ATOM 643 O LYS A 162 2.900 -6.346 7.974 1.00 1.27 O ATOM 644 CB LYS A 162 0.130 -6.366 7.814 1.00 1.17 C ATOM 645 CG LYS A 162 -1.358 -6.275 8.133 1.00 1.55 C ATOM 646 CD LYS A 162 -1.606 -5.484 9.417 1.00 1.86 C ATOM 647 CE LYS A 162 -0.826 -6.039 10.603 1.00 2.36 C ATOM 648 NZ LYS A 162 -0.895 -5.132 11.781 1.00 2.95 N ATOM 0 H LYS A 162 1.466 -4.445 6.004 1.00 0.98 H new ATOM 0 HA LYS A 162 0.414 -4.452 8.721 1.00 1.10 H new ATOM 0 HB2 LYS A 162 0.250 -6.751 6.801 1.00 1.17 H new ATOM 0 HB3 LYS A 162 0.591 -7.089 8.487 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -1.881 -5.799 7.304 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -1.771 -7.278 8.236 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -1.327 -4.442 9.258 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -2.671 -5.497 9.648 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.223 -7.018 10.874 1.00 2.36 H new ATOM 0 HE3 LYS A 162 0.216 -6.185 10.317 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 0.053 -5.031 12.198 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -1.242 -4.199 11.481 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -1.544 -5.531 12.489 1.00 2.95 H new ATOM 662 N ASP A 163 2.912 -4.329 9.003 1.00 1.37 N ATOM 663 CA ASP A 163 4.198 -4.467 9.696 1.00 1.58 C ATOM 664 C ASP A 163 5.302 -5.069 8.823 1.00 1.48 C ATOM 665 O ASP A 163 6.027 -5.965 9.258 1.00 1.94 O ATOM 666 CB ASP A 163 4.016 -5.316 10.963 1.00 1.83 C ATOM 667 CG ASP A 163 2.981 -4.731 11.906 1.00 2.42 C ATOM 668 OD1 ASP A 163 3.146 -3.566 12.338 1.00 2.80 O ATOM 669 OD2 ASP A 163 1.997 -5.434 12.224 1.00 2.97 O ATOM 0 H ASP A 163 2.496 -3.404 9.109 1.00 1.37 H new ATOM 0 HA ASP A 163 4.522 -3.459 9.954 1.00 1.58 H new ATOM 0 HB2 ASP A 163 3.717 -6.326 10.681 1.00 1.83 H new ATOM 0 HB3 ASP A 163 4.971 -5.399 11.482 1.00 1.83 H new ATOM 674 N GLY A 164 5.432 -4.576 7.599 1.00 1.41 N ATOM 675 CA GLY A 164 6.519 -5.023 6.743 1.00 1.46 C ATOM 676 C GLY A 164 6.031 -5.638 5.451 1.00 1.29 C ATOM 677 O GLY A 164 6.747 -5.646 4.447 1.00 1.45 O ATOM 0 H GLY A 164 4.812 -3.881 7.184 1.00 1.41 H new ATOM 0 HA2 GLY A 164 7.168 -4.177 6.515 1.00 1.46 H new ATOM 0 HA3 GLY A 164 7.124 -5.752 7.282 1.00 1.46 H new ATOM 681 N GLU A 165 4.822 -6.172 5.473 1.00 1.10 N ATOM 682 CA GLU A 165 4.226 -6.752 4.282 1.00 1.01 C ATOM 683 C GLU A 165 3.131 -5.849 3.738 1.00 0.86 C ATOM 684 O GLU A 165 2.466 -5.134 4.493 1.00 0.92 O ATOM 685 CB GLU A 165 3.645 -8.142 4.565 1.00 1.13 C ATOM 686 CG GLU A 165 4.667 -9.273 4.576 1.00 1.48 C ATOM 687 CD GLU A 165 5.575 -9.257 5.787 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.087 -9.520 6.906 1.00 2.21 O ATOM 689 OE2 GLU A 165 6.785 -9.005 5.628 1.00 2.17 O ATOM 0 H GLU A 165 4.233 -6.216 6.304 1.00 1.10 H new ATOM 0 HA GLU A 165 5.018 -6.851 3.539 1.00 1.01 H new ATOM 0 HB2 GLU A 165 3.139 -8.119 5.530 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.887 -8.363 3.813 1.00 1.13 H new ATOM 0 HG2 GLU A 165 4.141 -10.227 4.539 1.00 1.48 H new ATOM 0 HG3 GLU A 165 5.276 -9.210 3.674 1.00 1.48 H new ATOM 696 N LEU A 166 2.965 -5.874 2.426 1.00 0.77 N ATOM 697 CA LEU A 166 1.877 -5.167 1.772 1.00 0.65 C ATOM 698 C LEU A 166 0.910 -6.200 1.216 1.00 0.55 C ATOM 699 O LEU A 166 1.246 -6.929 0.288 1.00 0.63 O ATOM 700 CB LEU A 166 2.420 -4.278 0.642 1.00 0.71 C ATOM 701 CG LEU A 166 1.602 -3.024 0.308 1.00 0.86 C ATOM 702 CD1 LEU A 166 0.191 -3.379 -0.122 1.00 1.25 C ATOM 703 CD2 LEU A 166 1.564 -2.082 1.498 1.00 1.21 C ATOM 0 H LEU A 166 3.577 -6.382 1.787 1.00 0.77 H new ATOM 0 HA LEU A 166 1.365 -4.522 2.486 1.00 0.65 H new ATOM 0 HB2 LEU A 166 3.430 -3.966 0.908 1.00 0.71 H new ATOM 0 HB3 LEU A 166 2.501 -4.884 -0.261 1.00 0.71 H new ATOM 0 HG LEU A 166 2.092 -2.523 -0.527 1.00 0.86 H new ATOM 0 HD11 LEU A 166 -0.360 -2.467 -0.351 1.00 1.25 H new ATOM 0 HD12 LEU A 166 0.229 -4.012 -1.009 1.00 1.25 H new ATOM 0 HD13 LEU A 166 -0.311 -3.914 0.684 1.00 1.25 H new ATOM 0 HD21 LEU A 166 0.980 -1.198 1.244 1.00 1.21 H new ATOM 0 HD22 LEU A 166 1.106 -2.588 2.348 1.00 1.21 H new ATOM 0 HD23 LEU A 166 2.579 -1.783 1.758 1.00 1.21 H new ATOM 715 N TYR A 167 -0.271 -6.279 1.802 1.00 0.46 N ATOM 716 CA TYR A 167 -1.245 -7.285 1.407 1.00 0.38 C ATOM 717 C TYR A 167 -2.371 -6.662 0.600 1.00 0.33 C ATOM 718 O TYR A 167 -2.626 -5.458 0.690 1.00 0.45 O ATOM 719 CB TYR A 167 -1.834 -7.972 2.635 1.00 0.46 C ATOM 720 CG TYR A 167 -0.835 -8.750 3.462 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.248 -9.909 2.972 1.00 0.74 C ATOM 722 CD2 TYR A 167 -0.493 -8.333 4.741 1.00 0.79 C ATOM 723 CE1 TYR A 167 0.651 -10.630 3.734 1.00 0.94 C ATOM 724 CE2 TYR A 167 0.406 -9.047 5.508 1.00 0.97 C ATOM 725 CZ TYR A 167 0.975 -10.194 5.002 1.00 1.03 C ATOM 726 OH TYR A 167 1.873 -10.905 5.767 1.00 1.23 O ATOM 0 H TYR A 167 -0.580 -5.661 2.552 1.00 0.46 H new ATOM 0 HA TYR A 167 -0.728 -8.021 0.791 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.301 -7.217 3.268 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -2.624 -8.650 2.312 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.498 -10.252 1.979 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -0.938 -7.435 5.143 1.00 0.79 H new ATOM 0 HE1 TYR A 167 1.098 -11.530 3.339 1.00 0.94 H new ATOM 0 HE2 TYR A 167 0.662 -8.707 6.501 1.00 0.97 H new ATOM 0 HH TYR A 167 1.990 -10.460 6.632 1.00 1.23 H new ATOM 736 N CYS A 168 -3.031 -7.493 -0.194 1.00 0.30 N ATOM 737 CA CYS A 168 -4.225 -7.090 -0.913 1.00 0.38 C ATOM 738 C CYS A 168 -5.373 -6.922 0.069 1.00 0.45 C ATOM 739 O CYS A 168 -5.444 -7.651 1.052 1.00 0.47 O ATOM 740 CB CYS A 168 -4.591 -8.159 -1.940 1.00 0.46 C ATOM 741 SG CYS A 168 -3.160 -8.826 -2.846 1.00 0.52 S ATOM 0 H CYS A 168 -2.753 -8.461 -0.356 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.038 -6.145 -1.424 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.102 -8.977 -1.433 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.297 -7.737 -2.655 1.00 0.46 H new ATOM 746 N LYS A 169 -6.269 -5.977 -0.190 1.00 0.60 N ATOM 747 CA LYS A 169 -7.441 -5.799 0.666 1.00 0.72 C ATOM 748 C LYS A 169 -8.237 -7.100 0.744 1.00 0.69 C ATOM 749 O LYS A 169 -8.826 -7.425 1.775 1.00 0.75 O ATOM 750 CB LYS A 169 -8.345 -4.682 0.139 1.00 0.94 C ATOM 751 CG LYS A 169 -9.448 -4.285 1.113 1.00 1.57 C ATOM 752 CD LYS A 169 -10.573 -3.530 0.422 1.00 1.97 C ATOM 753 CE LYS A 169 -11.328 -4.429 -0.545 1.00 2.66 C ATOM 754 NZ LYS A 169 -12.475 -3.735 -1.185 1.00 3.12 N ATOM 0 H LYS A 169 -6.211 -5.328 -0.975 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.090 -5.523 1.660 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -7.735 -3.806 -0.084 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.797 -5.003 -0.799 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -9.850 -5.179 1.589 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.027 -3.664 1.904 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -11.262 -3.136 1.169 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -10.163 -2.675 -0.117 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -10.645 -4.783 -1.317 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -11.690 -5.308 -0.012 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -12.957 -4.388 -1.835 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -13.142 -3.419 -0.452 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -12.129 -2.911 -1.717 1.00 3.12 H new ATOM 768 N VAL A 170 -8.238 -7.844 -0.359 1.00 0.70 N ATOM 769 CA VAL A 170 -8.943 -9.116 -0.430 1.00 0.77 C ATOM 770 C VAL A 170 -8.259 -10.156 0.452 1.00 0.69 C ATOM 771 O VAL A 170 -8.912 -10.837 1.237 1.00 0.78 O ATOM 772 CB VAL A 170 -9.007 -9.643 -1.882 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.774 -10.958 -1.954 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.636 -8.608 -2.802 1.00 1.02 C ATOM 0 H VAL A 170 -7.755 -7.584 -1.219 1.00 0.70 H new ATOM 0 HA VAL A 170 -9.959 -8.946 -0.074 1.00 0.77 H new ATOM 0 HB VAL A 170 -7.986 -9.828 -2.217 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.804 -11.306 -2.987 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.277 -11.704 -1.334 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.791 -10.806 -1.593 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -9.671 -8.999 -3.819 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.648 -8.387 -2.463 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.040 -7.696 -2.785 1.00 1.02 H new ATOM 784 N CYS A 171 -6.939 -10.259 0.327 1.00 0.58 N ATOM 785 CA CYS A 171 -6.162 -11.195 1.125 1.00 0.59 C ATOM 786 C CYS A 171 -6.120 -10.763 2.595 1.00 0.57 C ATOM 787 O CYS A 171 -6.017 -11.596 3.495 1.00 0.66 O ATOM 788 CB CYS A 171 -4.756 -11.323 0.544 1.00 0.58 C ATOM 789 SG CYS A 171 -4.743 -11.818 -1.214 1.00 0.80 S ATOM 0 H CYS A 171 -6.385 -9.702 -0.323 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.643 -12.172 1.090 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.239 -10.369 0.650 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.196 -12.056 1.125 1.00 0.58 H new ATOM 794 N TYR A 172 -6.202 -9.457 2.827 1.00 0.51 N ATOM 795 CA TYR A 172 -6.279 -8.916 4.178 1.00 0.59 C ATOM 796 C TYR A 172 -7.539 -9.412 4.875 1.00 0.67 C ATOM 797 O TYR A 172 -7.497 -9.818 6.026 1.00 0.76 O ATOM 798 CB TYR A 172 -6.267 -7.384 4.148 1.00 0.65 C ATOM 799 CG TYR A 172 -6.319 -6.739 5.519 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.155 -6.483 6.232 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.534 -6.395 6.101 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.197 -5.902 7.485 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.584 -5.817 7.353 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.419 -5.538 8.026 1.00 1.48 C ATOM 805 OH TYR A 172 -6.461 -4.997 9.293 1.00 1.78 O ATOM 0 H TYR A 172 -6.217 -8.750 2.092 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.407 -9.260 4.734 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.366 -7.048 3.634 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.117 -7.036 3.562 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.200 -6.743 5.799 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.453 -6.583 5.565 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.285 -5.733 8.038 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.538 -5.584 7.803 1.00 1.45 H new ATOM 0 HH TYR A 172 -7.389 -4.793 9.531 1.00 1.78 H new ATOM 815 N ALA A 173 -8.662 -9.374 4.168 1.00 0.72 N ATOM 816 CA ALA A 173 -9.920 -9.877 4.709 1.00 0.87 C ATOM 817 C ALA A 173 -9.915 -11.402 4.735 1.00 0.91 C ATOM 818 O ALA A 173 -10.621 -12.033 5.524 1.00 1.05 O ATOM 819 CB ALA A 173 -11.089 -9.359 3.886 1.00 1.05 C ATOM 0 H ALA A 173 -8.728 -9.001 3.221 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.031 -9.518 5.732 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.022 -9.741 4.299 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.099 -8.269 3.914 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -10.985 -9.695 2.854 1.00 1.05 H new ATOM 825 N LYS A 174 -9.112 -11.970 3.850 1.00 0.89 N ATOM 826 CA LYS A 174 -8.980 -13.411 3.687 1.00 1.06 C ATOM 827 C LYS A 174 -8.285 -14.055 4.887 1.00 1.08 C ATOM 828 O LYS A 174 -8.850 -14.925 5.548 1.00 1.27 O ATOM 829 CB LYS A 174 -8.177 -13.672 2.408 1.00 1.17 C ATOM 830 CG LYS A 174 -7.923 -15.132 2.078 1.00 1.67 C ATOM 831 CD LYS A 174 -6.915 -15.252 0.942 1.00 2.21 C ATOM 832 CE LYS A 174 -7.374 -14.500 -0.301 1.00 2.63 C ATOM 833 NZ LYS A 174 -6.278 -14.332 -1.294 1.00 3.36 N ATOM 0 H LYS A 174 -8.523 -11.434 3.213 1.00 0.89 H new ATOM 0 HA LYS A 174 -9.973 -13.856 3.617 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -8.704 -13.215 1.570 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.216 -13.165 2.494 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -7.549 -15.651 2.961 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -8.858 -15.616 1.796 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -5.951 -14.862 1.268 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -6.767 -16.304 0.697 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -8.202 -15.038 -0.764 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -7.753 -13.520 -0.011 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -6.592 -14.683 -2.221 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -6.031 -13.325 -1.371 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -5.444 -14.870 -0.985 1.00 3.36 H new ATOM 847 N ASN A 175 -7.054 -13.634 5.156 1.00 1.04 N ATOM 848 CA ASN A 175 -6.265 -14.228 6.228 1.00 1.24 C ATOM 849 C ASN A 175 -6.387 -13.439 7.527 1.00 1.33 C ATOM 850 O ASN A 175 -6.292 -14.005 8.618 1.00 1.56 O ATOM 851 CB ASN A 175 -4.794 -14.322 5.821 1.00 1.47 C ATOM 852 CG ASN A 175 -4.572 -15.221 4.619 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.629 -14.768 3.479 1.00 2.65 O ATOM 854 ND2 ASN A 175 -4.312 -16.498 4.865 1.00 2.25 N ATOM 0 H ASN A 175 -6.582 -12.886 4.648 1.00 1.04 H new ATOM 0 HA ASN A 175 -6.660 -15.229 6.402 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -4.420 -13.323 5.596 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -4.212 -14.698 6.663 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -4.150 -17.144 4.092 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -4.274 -16.834 5.827 1.00 2.25 H new ATOM 861 N PHE A 176 -6.591 -12.122 7.374 1.00 1.30 N ATOM 862 CA PHE A 176 -6.791 -11.160 8.480 1.00 1.58 C ATOM 863 C PHE A 176 -5.826 -11.345 9.656 1.00 2.55 C ATOM 864 O PHE A 176 -6.140 -10.958 10.780 1.00 3.04 O ATOM 865 CB PHE A 176 -8.256 -11.153 8.969 1.00 1.55 C ATOM 866 CG PHE A 176 -8.803 -12.499 9.362 1.00 2.24 C ATOM 867 CD1 PHE A 176 -8.576 -13.002 10.633 1.00 2.73 C ATOM 868 CD2 PHE A 176 -9.547 -13.251 8.469 1.00 2.85 C ATOM 869 CE1 PHE A 176 -9.084 -14.233 11.005 1.00 3.72 C ATOM 870 CE2 PHE A 176 -10.057 -14.482 8.836 1.00 3.93 C ATOM 871 CZ PHE A 176 -9.796 -14.994 10.070 1.00 4.32 C ATOM 0 H PHE A 176 -6.623 -11.680 6.455 1.00 1.30 H new ATOM 0 HA PHE A 176 -6.557 -10.185 8.052 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -8.334 -10.482 9.825 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -8.884 -10.739 8.181 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -7.997 -12.427 11.340 1.00 2.73 H new ATOM 0 HD2 PHE A 176 -9.731 -12.872 7.475 1.00 2.85 H new ATOM 0 HE1 PHE A 176 -8.933 -14.604 12.008 1.00 3.72 H new ATOM 0 HE2 PHE A 176 -10.666 -15.041 8.140 1.00 3.93 H new ATOM 0 HZ PHE A 176 -10.138 -15.986 10.327 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -2.834 -11.012 -2.214 1.00 0.51 ZN HETATM 883 ZN ZN A 191 10.311 -3.994 -3.749 1.00 0.75 ZN