USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=16 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 162 LYS NZ :NH3+ -168:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 175 ASN : amide:sc= -2.98! C(o=-1.9!,f=-4.7!) 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 -173:sc= -0.272 (180deg=-0.365) USER MOD Single : A 138 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0205) USER MOD Single : A 142 LYS NZ :NH3+ -158:sc= 1.35 (180deg=0.946) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 167:sc= -0.0542 (180deg=-0.27) USER MOD Single : A 153 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 156 SER OG : rot 180:sc=-0.00922 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0.00799 USER MOD Single : A 158 ASN : amide:sc= -0.072 K(o=-0.072,f=-11!) USER MOD Single : A 160 THR OG1 : rot -150:sc= 0 USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 164:sc= -0.0114 (180deg=-0.209) USER MOD Single : A 172 TYR OH : rot 46:sc= 0.0948 USER MOD Single : A 174 LYS NZ :NH3+ 152:sc= 0.0587 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 12.979 2.463 -0.137 1.00 0.89 N ATOM 2 CA LYS A 119 13.372 1.076 -0.370 1.00 0.80 C ATOM 3 C LYS A 119 12.179 0.133 -0.508 1.00 0.78 C ATOM 4 O LYS A 119 11.155 0.286 0.160 1.00 0.90 O ATOM 5 CB LYS A 119 14.264 0.556 0.758 1.00 0.93 C ATOM 6 CG LYS A 119 15.702 1.040 0.706 1.00 1.51 C ATOM 7 CD LYS A 119 16.609 0.087 1.464 1.00 1.54 C ATOM 8 CE LYS A 119 18.044 0.580 1.498 1.00 2.16 C ATOM 9 NZ LYS A 119 18.965 -0.443 2.061 1.00 2.76 N ATOM 0 HA LYS A 119 13.918 1.085 -1.313 1.00 0.80 H new ATOM 0 HB2 LYS A 119 13.829 0.853 1.712 1.00 0.93 H new ATOM 0 HB3 LYS A 119 14.261 -0.534 0.732 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.029 1.116 -0.331 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.772 2.039 1.137 1.00 1.51 H new ATOM 0 HD2 LYS A 119 16.241 -0.031 2.483 1.00 1.54 H new ATOM 0 HD3 LYS A 119 16.574 -0.897 0.996 1.00 1.54 H new ATOM 0 HE2 LYS A 119 18.363 0.841 0.489 1.00 2.16 H new ATOM 0 HE3 LYS A 119 18.102 1.490 2.096 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 19.936 -0.070 2.068 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 18.676 -0.673 3.033 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 18.929 -1.302 1.476 1.00 2.76 H new ATOM 23 N CYS A 120 12.358 -0.863 -1.364 1.00 0.70 N ATOM 24 CA CYS A 120 11.418 -1.956 -1.527 1.00 0.72 C ATOM 25 C CYS A 120 11.905 -3.161 -0.727 1.00 0.76 C ATOM 26 O CYS A 120 12.960 -3.721 -1.034 1.00 0.80 O ATOM 27 CB CYS A 120 11.301 -2.311 -3.016 1.00 0.67 C ATOM 28 SG CYS A 120 10.567 -3.942 -3.393 1.00 0.74 S ATOM 0 H CYS A 120 13.174 -0.933 -1.973 1.00 0.70 H new ATOM 0 HA CYS A 120 10.435 -1.661 -1.159 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.703 -1.543 -3.507 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.296 -2.271 -3.458 1.00 0.67 H new ATOM 33 N PRO A 121 11.154 -3.560 0.314 1.00 0.79 N ATOM 34 CA PRO A 121 11.518 -4.682 1.190 1.00 0.87 C ATOM 35 C PRO A 121 11.383 -6.036 0.502 1.00 0.90 C ATOM 36 O PRO A 121 11.799 -7.061 1.041 1.00 1.00 O ATOM 37 CB PRO A 121 10.523 -4.584 2.358 1.00 0.96 C ATOM 38 CG PRO A 121 9.844 -3.265 2.197 1.00 1.00 C ATOM 39 CD PRO A 121 9.897 -2.940 0.734 1.00 0.82 C ATOM 0 HA PRO A 121 12.562 -4.618 1.496 1.00 0.87 H new ATOM 0 HB2 PRO A 121 9.803 -5.402 2.329 1.00 0.96 H new ATOM 0 HB3 PRO A 121 11.037 -4.646 3.317 1.00 0.96 H new ATOM 0 HG2 PRO A 121 8.813 -3.313 2.547 1.00 1.00 H new ATOM 0 HG3 PRO A 121 10.345 -2.496 2.785 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.043 -3.351 0.196 1.00 0.82 H new ATOM 0 HD3 PRO A 121 9.897 -1.864 0.558 1.00 0.82 H new ATOM 47 N ARG A 122 10.810 -6.037 -0.691 1.00 0.86 N ATOM 48 CA ARG A 122 10.649 -7.267 -1.453 1.00 0.94 C ATOM 49 C ARG A 122 11.971 -7.627 -2.102 1.00 0.90 C ATOM 50 O ARG A 122 12.423 -8.773 -2.048 1.00 1.05 O ATOM 51 CB ARG A 122 9.571 -7.109 -2.530 1.00 0.98 C ATOM 52 CG ARG A 122 8.185 -6.792 -1.995 1.00 0.97 C ATOM 53 CD ARG A 122 7.626 -7.935 -1.164 1.00 1.11 C ATOM 54 NE ARG A 122 6.258 -7.669 -0.726 1.00 1.54 N ATOM 55 CZ ARG A 122 5.865 -7.689 0.545 1.00 1.95 C ATOM 56 NH1 ARG A 122 6.731 -7.982 1.507 1.00 2.03 N ATOM 57 NH2 ARG A 122 4.605 -7.424 0.856 1.00 2.82 N ATOM 0 H ARG A 122 10.449 -5.202 -1.153 1.00 0.86 H new ATOM 0 HA ARG A 122 10.337 -8.061 -0.774 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.873 -6.315 -3.214 1.00 0.98 H new ATOM 0 HB3 ARG A 122 9.520 -8.029 -3.112 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.228 -5.888 -1.388 1.00 0.97 H new ATOM 0 HG3 ARG A 122 7.513 -6.585 -2.828 1.00 0.97 H new ATOM 0 HD2 ARG A 122 7.648 -8.854 -1.749 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.262 -8.096 -0.293 1.00 1.11 H new ATOM 0 HE ARG A 122 5.561 -7.455 -1.439 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.701 -8.193 1.273 1.00 2.03 H new ATOM 0 HH12 ARG A 122 6.426 -7.996 2.480 1.00 2.03 H new ATOM 0 HH21 ARG A 122 3.934 -7.204 0.120 1.00 2.82 H new ATOM 0 HH22 ARG A 122 4.306 -7.440 1.831 1.00 2.82 H new ATOM 71 N CYS A 123 12.596 -6.630 -2.701 1.00 0.76 N ATOM 72 CA CYS A 123 13.862 -6.820 -3.377 1.00 0.78 C ATOM 73 C CYS A 123 15.034 -6.465 -2.471 1.00 0.76 C ATOM 74 O CYS A 123 16.148 -6.965 -2.646 1.00 0.86 O ATOM 75 CB CYS A 123 13.905 -5.953 -4.628 1.00 0.77 C ATOM 76 SG CYS A 123 12.503 -6.214 -5.751 1.00 0.88 S ATOM 0 H CYS A 123 12.242 -5.674 -2.732 1.00 0.76 H new ATOM 0 HA CYS A 123 13.949 -7.872 -3.648 1.00 0.78 H new ATOM 0 HB2 CYS A 123 13.930 -4.905 -4.331 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.831 -6.154 -5.166 1.00 0.77 H new ATOM 81 N GLY A 124 14.770 -5.602 -1.502 1.00 0.70 N ATOM 82 CA GLY A 124 15.828 -5.059 -0.679 1.00 0.73 C ATOM 83 C GLY A 124 16.592 -3.993 -1.433 1.00 0.71 C ATOM 84 O GLY A 124 17.773 -3.758 -1.187 1.00 0.85 O ATOM 0 H GLY A 124 13.835 -5.267 -1.270 1.00 0.70 H new ATOM 0 HA2 GLY A 124 15.407 -4.636 0.233 1.00 0.73 H new ATOM 0 HA3 GLY A 124 16.507 -5.856 -0.377 1.00 0.73 H new ATOM 88 N LYS A 125 15.891 -3.345 -2.350 1.00 0.61 N ATOM 89 CA LYS A 125 16.497 -2.381 -3.259 1.00 0.61 C ATOM 90 C LYS A 125 15.915 -0.995 -3.018 1.00 0.57 C ATOM 91 O LYS A 125 14.966 -0.845 -2.256 1.00 0.60 O ATOM 92 CB LYS A 125 16.245 -2.802 -4.707 1.00 0.63 C ATOM 93 CG LYS A 125 16.871 -4.136 -5.077 1.00 1.30 C ATOM 94 CD LYS A 125 16.533 -4.529 -6.505 1.00 1.71 C ATOM 95 CE LYS A 125 17.160 -5.864 -6.876 1.00 2.44 C ATOM 96 NZ LYS A 125 16.849 -6.256 -8.274 1.00 2.99 N ATOM 0 H LYS A 125 14.888 -3.471 -2.486 1.00 0.61 H new ATOM 0 HA LYS A 125 17.571 -2.351 -3.075 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.170 -2.856 -4.878 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.635 -2.032 -5.372 1.00 0.63 H new ATOM 0 HG2 LYS A 125 17.953 -4.077 -4.961 1.00 1.30 H new ATOM 0 HG3 LYS A 125 16.519 -4.908 -4.392 1.00 1.30 H new ATOM 0 HD2 LYS A 125 15.451 -4.589 -6.621 1.00 1.71 H new ATOM 0 HD3 LYS A 125 16.885 -3.757 -7.189 1.00 1.71 H new ATOM 0 HE2 LYS A 125 18.241 -5.805 -6.748 1.00 2.44 H new ATOM 0 HE3 LYS A 125 16.800 -6.635 -6.195 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 17.295 -7.171 -8.485 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 15.819 -6.338 -8.391 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 17.215 -5.534 -8.927 1.00 2.99 H new ATOM 110 N SER A 126 16.472 0.007 -3.681 1.00 0.66 N ATOM 111 CA SER A 126 16.025 1.382 -3.496 1.00 0.68 C ATOM 112 C SER A 126 14.971 1.761 -4.535 1.00 0.57 C ATOM 113 O SER A 126 14.893 1.158 -5.608 1.00 0.66 O ATOM 114 CB SER A 126 17.215 2.340 -3.566 1.00 0.89 C ATOM 115 OG SER A 126 18.161 2.053 -2.547 1.00 1.37 O ATOM 0 H SER A 126 17.233 -0.104 -4.351 1.00 0.66 H new ATOM 0 HA SER A 126 15.568 1.462 -2.510 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.692 2.261 -4.543 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.866 3.367 -3.464 1.00 0.89 H new ATOM 0 HG SER A 126 18.913 2.678 -2.614 1.00 1.37 H new ATOM 121 N VAL A 127 14.155 2.753 -4.192 1.00 0.52 N ATOM 122 CA VAL A 127 13.076 3.225 -5.055 1.00 0.45 C ATOM 123 C VAL A 127 13.138 4.748 -5.165 1.00 0.58 C ATOM 124 O VAL A 127 13.726 5.404 -4.309 1.00 0.80 O ATOM 125 CB VAL A 127 11.694 2.832 -4.479 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.579 3.094 -5.478 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.678 1.377 -4.042 1.00 0.71 C ATOM 0 H VAL A 127 14.223 3.254 -3.306 1.00 0.52 H new ATOM 0 HA VAL A 127 13.200 2.764 -6.035 1.00 0.45 H new ATOM 0 HB VAL A 127 11.519 3.459 -3.604 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.623 2.807 -5.040 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.558 4.154 -5.730 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.755 2.509 -6.381 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.695 1.128 -3.641 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.893 0.738 -4.898 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.434 1.220 -3.272 1.00 0.71 H new ATOM 137 N TYR A 128 12.561 5.313 -6.219 1.00 0.60 N ATOM 138 CA TYR A 128 12.443 6.761 -6.307 1.00 0.78 C ATOM 139 C TYR A 128 11.014 7.169 -6.697 1.00 0.58 C ATOM 140 O TYR A 128 10.151 6.308 -6.854 1.00 0.48 O ATOM 141 CB TYR A 128 13.486 7.345 -7.270 1.00 1.14 C ATOM 142 CG TYR A 128 13.697 8.837 -7.087 1.00 2.06 C ATOM 143 CD1 TYR A 128 13.425 9.443 -5.865 1.00 2.80 C ATOM 144 CD2 TYR A 128 14.142 9.640 -8.128 1.00 2.76 C ATOM 145 CE1 TYR A 128 13.589 10.799 -5.686 1.00 3.75 C ATOM 146 CE2 TYR A 128 14.312 11.002 -7.956 1.00 3.69 C ATOM 147 CZ TYR A 128 14.035 11.577 -6.734 1.00 4.06 C ATOM 148 OH TYR A 128 14.202 12.934 -6.563 1.00 5.08 O ATOM 0 H TYR A 128 12.174 4.800 -7.011 1.00 0.60 H new ATOM 0 HA TYR A 128 12.647 7.180 -5.322 1.00 0.78 H new ATOM 0 HB2 TYR A 128 14.435 6.829 -7.124 1.00 1.14 H new ATOM 0 HB3 TYR A 128 13.173 7.152 -8.296 1.00 1.14 H new ATOM 0 HD1 TYR A 128 13.078 8.838 -5.040 1.00 2.80 H new ATOM 0 HD2 TYR A 128 14.359 9.194 -9.088 1.00 2.76 H new ATOM 0 HE1 TYR A 128 13.369 11.251 -4.730 1.00 3.75 H new ATOM 0 HE2 TYR A 128 14.660 11.613 -8.776 1.00 3.69 H new ATOM 0 HH TYR A 128 14.523 13.332 -7.399 1.00 5.08 H new ATOM 158 N ALA A 129 10.783 8.469 -6.873 1.00 0.69 N ATOM 159 CA ALA A 129 9.437 9.030 -7.019 1.00 0.74 C ATOM 160 C ALA A 129 8.637 8.392 -8.153 1.00 0.75 C ATOM 161 O ALA A 129 7.439 8.138 -8.005 1.00 0.87 O ATOM 162 CB ALA A 129 9.523 10.534 -7.223 1.00 0.95 C ATOM 0 H ALA A 129 11.525 9.167 -6.919 1.00 0.69 H new ATOM 0 HA ALA A 129 8.901 8.806 -6.097 1.00 0.74 H new ATOM 0 HB1 ALA A 129 8.519 10.945 -7.331 1.00 0.95 H new ATOM 0 HB2 ALA A 129 10.011 10.991 -6.362 1.00 0.95 H new ATOM 0 HB3 ALA A 129 10.101 10.747 -8.123 1.00 0.95 H new ATOM 168 N ALA A 130 9.294 8.134 -9.278 1.00 0.80 N ATOM 169 CA ALA A 130 8.634 7.549 -10.444 1.00 1.00 C ATOM 170 C ALA A 130 7.973 6.211 -10.113 1.00 0.91 C ATOM 171 O ALA A 130 6.975 5.835 -10.726 1.00 1.16 O ATOM 172 CB ALA A 130 9.630 7.374 -11.580 1.00 1.21 C ATOM 0 H ALA A 130 10.288 8.321 -9.410 1.00 0.80 H new ATOM 0 HA ALA A 130 7.848 8.237 -10.756 1.00 1.00 H new ATOM 0 HB1 ALA A 130 9.126 6.938 -12.442 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.043 8.345 -11.854 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.436 6.714 -11.259 1.00 1.21 H new ATOM 178 N GLU A 131 8.528 5.505 -9.138 1.00 0.68 N ATOM 179 CA GLU A 131 7.996 4.214 -8.726 1.00 0.65 C ATOM 180 C GLU A 131 7.351 4.316 -7.349 1.00 0.46 C ATOM 181 O GLU A 131 6.793 3.346 -6.849 1.00 0.50 O ATOM 182 CB GLU A 131 9.117 3.173 -8.677 1.00 0.87 C ATOM 183 CG GLU A 131 9.903 3.047 -9.967 1.00 1.41 C ATOM 184 CD GLU A 131 11.078 2.103 -9.831 1.00 1.70 C ATOM 185 OE1 GLU A 131 12.176 2.565 -9.454 1.00 2.44 O ATOM 186 OE2 GLU A 131 10.908 0.896 -10.106 1.00 1.99 O ATOM 0 H GLU A 131 9.350 5.807 -8.615 1.00 0.68 H new ATOM 0 HA GLU A 131 7.244 3.909 -9.454 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.803 3.431 -7.870 1.00 0.87 H new ATOM 0 HB3 GLU A 131 8.686 2.203 -8.431 1.00 0.87 H new ATOM 0 HG2 GLU A 131 9.244 2.692 -10.759 1.00 1.41 H new ATOM 0 HG3 GLU A 131 10.263 4.031 -10.269 1.00 1.41 H new ATOM 193 N LYS A 132 7.432 5.504 -6.753 1.00 0.44 N ATOM 194 CA LYS A 132 7.021 5.710 -5.368 1.00 0.42 C ATOM 195 C LYS A 132 5.544 5.400 -5.135 1.00 0.44 C ATOM 196 O LYS A 132 4.665 6.237 -5.342 1.00 0.58 O ATOM 197 CB LYS A 132 7.351 7.142 -4.903 1.00 0.55 C ATOM 198 CG LYS A 132 6.794 7.477 -3.525 1.00 0.65 C ATOM 199 CD LYS A 132 7.424 8.735 -2.947 1.00 1.05 C ATOM 200 CE LYS A 132 8.914 8.542 -2.718 1.00 1.58 C ATOM 201 NZ LYS A 132 9.498 9.607 -1.869 1.00 2.18 N ATOM 0 H LYS A 132 7.782 6.344 -7.213 1.00 0.44 H new ATOM 0 HA LYS A 132 7.592 5.001 -4.768 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.433 7.271 -4.890 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.954 7.852 -5.629 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.714 7.610 -3.593 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.970 6.640 -2.849 1.00 0.65 H new ATOM 0 HD2 LYS A 132 7.262 9.572 -3.626 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.938 8.990 -2.005 1.00 1.05 H new ATOM 0 HE2 LYS A 132 9.084 7.573 -2.249 1.00 1.58 H new ATOM 0 HE3 LYS A 132 9.427 8.525 -3.679 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 10.515 9.431 -1.742 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 9.361 10.531 -2.327 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 9.028 9.608 -0.941 1.00 2.18 H new ATOM 215 N VAL A 133 5.293 4.168 -4.729 1.00 0.39 N ATOM 216 CA VAL A 133 4.013 3.765 -4.178 1.00 0.44 C ATOM 217 C VAL A 133 4.187 3.539 -2.682 1.00 0.44 C ATOM 218 O VAL A 133 4.893 2.620 -2.259 1.00 0.50 O ATOM 219 CB VAL A 133 3.471 2.493 -4.865 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.784 2.846 -6.174 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.596 1.501 -5.117 1.00 0.88 C ATOM 0 H VAL A 133 5.978 3.414 -4.773 1.00 0.39 H new ATOM 0 HA VAL A 133 3.281 4.553 -4.357 1.00 0.44 H new ATOM 0 HB VAL A 133 2.741 2.031 -4.200 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.408 1.937 -6.644 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.953 3.523 -5.978 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.498 3.331 -6.840 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.195 0.611 -5.602 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.347 1.958 -5.762 1.00 0.88 H new ATOM 0 HG23 VAL A 133 5.054 1.222 -4.168 1.00 0.88 H new ATOM 231 N MET A 134 3.584 4.415 -1.889 1.00 0.54 N ATOM 232 CA MET A 134 3.834 4.454 -0.451 1.00 0.60 C ATOM 233 C MET A 134 3.210 3.267 0.274 1.00 0.57 C ATOM 234 O MET A 134 2.077 3.339 0.742 1.00 0.75 O ATOM 235 CB MET A 134 3.307 5.765 0.144 1.00 0.83 C ATOM 236 CG MET A 134 3.955 7.011 -0.447 1.00 1.14 C ATOM 237 SD MET A 134 5.716 7.139 -0.068 1.00 1.65 S ATOM 238 CE MET A 134 5.658 7.452 1.695 1.00 1.78 C ATOM 0 H MET A 134 2.915 5.112 -2.218 1.00 0.54 H new ATOM 0 HA MET A 134 4.913 4.396 -0.309 1.00 0.60 H new ATOM 0 HB2 MET A 134 2.230 5.818 -0.013 1.00 0.83 H new ATOM 0 HB3 MET A 134 3.472 5.757 1.221 1.00 0.83 H new ATOM 0 HG2 MET A 134 3.822 7.005 -1.529 1.00 1.14 H new ATOM 0 HG3 MET A 134 3.442 7.895 -0.068 1.00 1.14 H new ATOM 0 HE1 MET A 134 6.661 7.678 2.058 1.00 1.78 H new ATOM 0 HE2 MET A 134 5.001 8.299 1.893 1.00 1.78 H new ATOM 0 HE3 MET A 134 5.277 6.569 2.209 1.00 1.78 H new ATOM 248 N GLY A 135 3.960 2.179 0.363 1.00 0.50 N ATOM 249 CA GLY A 135 3.511 1.031 1.112 1.00 0.61 C ATOM 250 C GLY A 135 4.073 1.018 2.518 1.00 0.70 C ATOM 251 O GLY A 135 5.286 0.922 2.712 1.00 0.77 O ATOM 0 H GLY A 135 4.876 2.074 -0.074 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.422 1.030 1.157 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.810 0.120 0.593 1.00 0.61 H new ATOM 255 N GLY A 136 3.193 1.147 3.502 1.00 0.85 N ATOM 256 CA GLY A 136 3.612 1.083 4.890 1.00 1.03 C ATOM 257 C GLY A 136 4.431 2.289 5.317 1.00 1.08 C ATOM 258 O GLY A 136 5.131 2.246 6.330 1.00 1.72 O ATOM 0 H GLY A 136 2.193 1.295 3.364 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.731 1.005 5.527 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.199 0.178 5.046 1.00 1.03 H new ATOM 262 N GLY A 137 4.363 3.357 4.531 1.00 0.94 N ATOM 263 CA GLY A 137 5.061 4.577 4.885 1.00 0.98 C ATOM 264 C GLY A 137 6.314 4.815 4.061 1.00 0.87 C ATOM 265 O GLY A 137 7.015 5.806 4.269 1.00 1.04 O ATOM 0 H GLY A 137 3.838 3.399 3.657 1.00 0.94 H new ATOM 0 HA2 GLY A 137 4.386 5.423 4.758 1.00 0.98 H new ATOM 0 HA3 GLY A 137 5.331 4.539 5.940 1.00 0.98 H new ATOM 269 N LYS A 138 6.615 3.919 3.127 1.00 0.71 N ATOM 270 CA LYS A 138 7.767 4.112 2.254 1.00 0.71 C ATOM 271 C LYS A 138 7.482 3.607 0.843 1.00 0.53 C ATOM 272 O LYS A 138 6.696 2.681 0.658 1.00 0.52 O ATOM 273 CB LYS A 138 9.016 3.430 2.828 1.00 0.92 C ATOM 274 CG LYS A 138 8.883 1.937 3.083 1.00 1.15 C ATOM 275 CD LYS A 138 10.259 1.304 3.241 1.00 1.46 C ATOM 276 CE LYS A 138 10.180 -0.142 3.699 1.00 2.11 C ATOM 277 NZ LYS A 138 9.792 -0.252 5.130 1.00 2.69 N ATOM 0 H LYS A 138 6.086 3.064 2.956 1.00 0.71 H new ATOM 0 HA LYS A 138 7.959 5.183 2.198 1.00 0.71 H new ATOM 0 HB2 LYS A 138 9.846 3.592 2.140 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.279 3.920 3.766 1.00 0.92 H new ATOM 0 HG2 LYS A 138 8.291 1.766 3.982 1.00 1.15 H new ATOM 0 HG3 LYS A 138 8.351 1.466 2.257 1.00 1.15 H new ATOM 0 HD2 LYS A 138 10.790 1.353 2.290 1.00 1.46 H new ATOM 0 HD3 LYS A 138 10.841 1.880 3.961 1.00 1.46 H new ATOM 0 HE2 LYS A 138 9.456 -0.678 3.085 1.00 2.11 H new ATOM 0 HE3 LYS A 138 11.146 -0.624 3.547 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 9.832 -1.249 5.425 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 10.448 0.308 5.712 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 8.824 0.108 5.256 1.00 2.69 H new ATOM 291 N PRO A 139 8.098 4.248 -0.169 1.00 0.51 N ATOM 292 CA PRO A 139 7.940 3.870 -1.581 1.00 0.46 C ATOM 293 C PRO A 139 8.485 2.488 -1.901 1.00 0.39 C ATOM 294 O PRO A 139 9.649 2.190 -1.642 1.00 0.51 O ATOM 295 CB PRO A 139 8.764 4.923 -2.326 1.00 0.60 C ATOM 296 CG PRO A 139 9.735 5.418 -1.319 1.00 0.72 C ATOM 297 CD PRO A 139 8.984 5.414 -0.027 1.00 0.63 C ATOM 0 HA PRO A 139 6.886 3.833 -1.857 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.272 4.492 -3.188 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.133 5.730 -2.699 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.613 4.775 -1.267 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.087 6.419 -1.568 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.652 5.313 0.829 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.420 6.336 0.116 1.00 0.63 H new ATOM 305 N TRP A 140 7.632 1.656 -2.466 1.00 0.34 N ATOM 306 CA TRP A 140 8.041 0.355 -2.968 1.00 0.33 C ATOM 307 C TRP A 140 8.128 0.414 -4.487 1.00 0.31 C ATOM 308 O TRP A 140 7.753 1.421 -5.081 1.00 0.38 O ATOM 309 CB TRP A 140 7.025 -0.714 -2.554 1.00 0.40 C ATOM 310 CG TRP A 140 6.976 -0.983 -1.076 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.358 -0.149 -0.067 1.00 0.54 C ATOM 312 CD2 TRP A 140 6.507 -2.176 -0.448 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.155 -0.753 1.148 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.634 -2.001 0.940 1.00 0.58 C ATOM 315 CE3 TRP A 140 5.989 -3.373 -0.932 1.00 0.62 C ATOM 316 CZ2 TRP A 140 6.265 -2.986 1.849 1.00 0.69 C ATOM 317 CZ3 TRP A 140 5.623 -4.351 -0.032 1.00 0.76 C ATOM 318 CH2 TRP A 140 5.762 -4.155 1.347 1.00 0.78 C ATOM 0 H TRP A 140 6.640 1.860 -2.591 1.00 0.34 H new ATOM 0 HA TRP A 140 9.014 0.096 -2.549 1.00 0.33 H new ATOM 0 HB2 TRP A 140 6.034 -0.405 -2.888 1.00 0.40 H new ATOM 0 HB3 TRP A 140 7.261 -1.643 -3.073 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.762 0.843 -0.204 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.359 -0.339 2.058 1.00 0.61 H new ATOM 0 HE3 TRP A 140 5.876 -3.533 -1.994 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.372 -2.834 2.913 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 5.222 -5.285 -0.397 1.00 0.76 H new ATOM 0 HH2 TRP A 140 5.467 -4.941 2.027 1.00 0.78 H new ATOM 329 N HIS A 141 8.626 -0.642 -5.118 1.00 0.34 N ATOM 330 CA HIS A 141 8.583 -0.725 -6.574 1.00 0.34 C ATOM 331 C HIS A 141 7.156 -1.028 -7.002 1.00 0.40 C ATOM 332 O HIS A 141 6.480 -1.827 -6.366 1.00 0.51 O ATOM 333 CB HIS A 141 9.501 -1.833 -7.116 1.00 0.42 C ATOM 334 CG HIS A 141 10.956 -1.671 -6.796 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.760 -2.759 -6.559 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.700 -0.542 -6.689 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.963 -2.279 -6.301 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.976 -0.938 -6.371 1.00 0.72 N ATOM 0 H HIS A 141 9.058 -1.441 -4.655 1.00 0.34 H new ATOM 0 HA HIS A 141 8.928 0.228 -6.976 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.163 -2.790 -6.718 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.387 -1.880 -8.199 1.00 0.42 H new ATOM 0 HD2 HIS A 141 11.356 0.472 -6.827 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.824 -2.886 -6.064 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.780 -0.330 -6.217 1.00 0.72 H new ATOM 346 N LYS A 142 6.699 -0.391 -8.073 1.00 0.49 N ATOM 347 CA LYS A 142 5.358 -0.651 -8.598 1.00 0.65 C ATOM 348 C LYS A 142 5.192 -2.132 -8.966 1.00 0.71 C ATOM 349 O LYS A 142 4.077 -2.654 -9.011 1.00 0.89 O ATOM 350 CB LYS A 142 5.077 0.249 -9.812 1.00 0.85 C ATOM 351 CG LYS A 142 3.762 -0.056 -10.522 1.00 1.52 C ATOM 352 CD LYS A 142 2.580 -0.022 -9.564 1.00 1.88 C ATOM 353 CE LYS A 142 1.356 -0.672 -10.186 1.00 2.60 C ATOM 354 NZ LYS A 142 0.239 -0.800 -9.217 1.00 3.19 N ATOM 0 H LYS A 142 7.231 0.306 -8.595 1.00 0.49 H new ATOM 0 HA LYS A 142 4.632 -0.417 -7.819 1.00 0.65 H new ATOM 0 HB2 LYS A 142 5.069 1.289 -9.486 1.00 0.85 H new ATOM 0 HB3 LYS A 142 5.895 0.145 -10.525 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.604 0.669 -11.320 1.00 1.52 H new ATOM 0 HG3 LYS A 142 3.822 -1.038 -10.991 1.00 1.52 H new ATOM 0 HD2 LYS A 142 2.841 -0.539 -8.641 1.00 1.88 H new ATOM 0 HD3 LYS A 142 2.352 1.010 -9.298 1.00 1.88 H new ATOM 0 HE2 LYS A 142 1.028 -0.081 -11.041 1.00 2.60 H new ATOM 0 HE3 LYS A 142 1.623 -1.659 -10.564 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 -0.410 -1.549 -9.533 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 0.619 -1.043 -8.280 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 -0.275 0.102 -9.159 1.00 3.19 H new ATOM 368 N THR A 143 6.306 -2.801 -9.211 1.00 0.69 N ATOM 369 CA THR A 143 6.291 -4.220 -9.512 1.00 0.84 C ATOM 370 C THR A 143 5.961 -5.038 -8.261 1.00 0.84 C ATOM 371 O THR A 143 5.176 -5.989 -8.316 1.00 1.10 O ATOM 372 CB THR A 143 7.656 -4.664 -10.070 1.00 0.95 C ATOM 373 OG1 THR A 143 8.094 -3.728 -11.064 1.00 1.38 O ATOM 374 CG2 THR A 143 7.574 -6.056 -10.685 1.00 1.47 C ATOM 0 H THR A 143 7.235 -2.381 -9.207 1.00 0.69 H new ATOM 0 HA THR A 143 5.520 -4.396 -10.262 1.00 0.84 H new ATOM 0 HB THR A 143 8.368 -4.695 -9.246 1.00 0.95 H new ATOM 0 HG1 THR A 143 8.963 -4.010 -11.418 1.00 1.38 H new ATOM 0 HG21 THR A 143 8.553 -6.342 -11.070 1.00 1.47 H new ATOM 0 HG22 THR A 143 7.260 -6.772 -9.925 1.00 1.47 H new ATOM 0 HG23 THR A 143 6.850 -6.052 -11.500 1.00 1.47 H new ATOM 382 N CYS A 144 6.530 -4.633 -7.134 1.00 0.68 N ATOM 383 CA CYS A 144 6.476 -5.423 -5.911 1.00 0.76 C ATOM 384 C CYS A 144 5.646 -4.750 -4.829 1.00 0.81 C ATOM 385 O CYS A 144 5.657 -5.180 -3.672 1.00 0.96 O ATOM 386 CB CYS A 144 7.888 -5.629 -5.426 1.00 0.73 C ATOM 387 SG CYS A 144 9.097 -5.110 -6.671 1.00 1.14 S ATOM 0 H CYS A 144 7.039 -3.754 -7.041 1.00 0.68 H new ATOM 0 HA CYS A 144 5.995 -6.376 -6.129 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.045 -5.064 -4.507 1.00 0.73 H new ATOM 0 HB3 CYS A 144 8.041 -6.681 -5.184 1.00 0.73 H new ATOM 392 N PHE A 145 4.960 -3.681 -5.195 1.00 0.80 N ATOM 393 CA PHE A 145 3.953 -3.093 -4.331 1.00 0.86 C ATOM 394 C PHE A 145 2.788 -4.061 -4.268 1.00 0.79 C ATOM 395 O PHE A 145 1.759 -3.871 -4.912 1.00 0.81 O ATOM 396 CB PHE A 145 3.510 -1.736 -4.876 1.00 0.94 C ATOM 397 CG PHE A 145 2.596 -0.983 -3.954 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.962 -0.742 -2.641 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.362 -0.531 -4.396 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.118 -0.065 -1.789 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.515 0.147 -3.545 1.00 1.13 C ATOM 402 CZ PHE A 145 0.919 0.439 -2.262 1.00 1.13 C ATOM 0 H PHE A 145 5.083 -3.202 -6.087 1.00 0.80 H new ATOM 0 HA PHE A 145 4.353 -2.922 -3.332 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.393 -1.128 -5.074 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.006 -1.885 -5.831 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.919 -1.088 -2.281 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.061 -0.712 -5.417 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.391 0.072 -0.753 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.465 0.449 -3.885 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.303 1.059 -1.627 1.00 1.13 H new ATOM 412 N ARG A 146 2.988 -5.120 -3.509 1.00 0.76 N ATOM 413 CA ARG A 146 2.128 -6.274 -3.553 1.00 0.69 C ATOM 414 C ARG A 146 2.243 -7.053 -2.262 1.00 0.66 C ATOM 415 O ARG A 146 3.164 -6.825 -1.471 1.00 0.95 O ATOM 416 CB ARG A 146 2.554 -7.157 -4.730 1.00 0.77 C ATOM 417 CG ARG A 146 3.962 -7.720 -4.624 1.00 1.08 C ATOM 418 CD ARG A 146 4.336 -8.498 -5.874 1.00 1.13 C ATOM 419 NE ARG A 146 5.713 -8.989 -5.835 1.00 1.61 N ATOM 420 CZ ARG A 146 6.368 -9.438 -6.906 1.00 1.86 C ATOM 421 NH1 ARG A 146 5.779 -9.451 -8.095 1.00 1.73 N ATOM 422 NH2 ARG A 146 7.613 -9.877 -6.792 1.00 2.78 N ATOM 0 H ARG A 146 3.757 -5.199 -2.843 1.00 0.76 H new ATOM 0 HA ARG A 146 1.092 -5.958 -3.679 1.00 0.69 H new ATOM 0 HB2 ARG A 146 1.851 -7.986 -4.818 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.478 -6.576 -5.649 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.672 -6.907 -4.472 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.032 -8.371 -3.752 1.00 1.08 H new ATOM 0 HD2 ARG A 146 3.656 -9.342 -5.990 1.00 1.13 H new ATOM 0 HD3 ARG A 146 4.205 -7.860 -6.748 1.00 1.13 H new ATOM 0 HE ARG A 146 6.199 -8.988 -4.938 1.00 1.61 H new ATOM 0 HH11 ARG A 146 4.820 -9.116 -8.193 1.00 1.73 H new ATOM 0 HH12 ARG A 146 6.285 -9.796 -8.911 1.00 1.73 H new ATOM 0 HH21 ARG A 146 8.074 -9.872 -5.882 1.00 2.78 H new ATOM 0 HH22 ARG A 146 8.110 -10.220 -7.614 1.00 2.78 H new ATOM 436 N CYS A 147 1.326 -7.975 -2.044 1.00 0.42 N ATOM 437 CA CYS A 147 1.422 -8.829 -0.887 1.00 0.43 C ATOM 438 C CYS A 147 2.251 -10.052 -1.228 1.00 0.52 C ATOM 439 O CYS A 147 2.095 -10.661 -2.311 1.00 0.53 O ATOM 440 CB CYS A 147 0.053 -9.232 -0.359 1.00 0.43 C ATOM 441 SG CYS A 147 -0.337 -10.993 -0.547 1.00 0.68 S ATOM 0 H CYS A 147 0.520 -8.147 -2.645 1.00 0.42 H new ATOM 0 HA CYS A 147 1.913 -8.269 -0.091 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.006 -8.970 0.698 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.708 -8.647 -0.875 1.00 0.43 H new ATOM 446 N ALA A 148 3.146 -10.367 -0.301 1.00 0.67 N ATOM 447 CA ALA A 148 4.069 -11.478 -0.430 1.00 0.82 C ATOM 448 C ALA A 148 3.373 -12.814 -0.207 1.00 0.84 C ATOM 449 O ALA A 148 3.967 -13.873 -0.429 1.00 0.98 O ATOM 450 CB ALA A 148 5.209 -11.300 0.557 1.00 1.02 C ATOM 0 H ALA A 148 3.250 -9.849 0.572 1.00 0.67 H new ATOM 0 HA ALA A 148 4.462 -11.485 -1.446 1.00 0.82 H new ATOM 0 HB1 ALA A 148 5.905 -12.133 0.463 1.00 1.02 H new ATOM 0 HB2 ALA A 148 5.730 -10.366 0.346 1.00 1.02 H new ATOM 0 HB3 ALA A 148 4.811 -11.272 1.571 1.00 1.02 H new ATOM 456 N ILE A 149 2.123 -12.767 0.242 1.00 0.76 N ATOM 457 CA ILE A 149 1.366 -13.982 0.489 1.00 0.84 C ATOM 458 C ILE A 149 1.108 -14.709 -0.818 1.00 0.85 C ATOM 459 O ILE A 149 1.302 -15.923 -0.916 1.00 1.00 O ATOM 460 CB ILE A 149 0.011 -13.702 1.186 1.00 0.82 C ATOM 461 CG1 ILE A 149 0.230 -13.073 2.564 1.00 0.86 C ATOM 462 CG2 ILE A 149 -0.810 -14.982 1.305 1.00 0.97 C ATOM 463 CD1 ILE A 149 -1.059 -12.790 3.305 1.00 1.02 C ATOM 0 H ILE A 149 1.618 -11.904 0.440 1.00 0.76 H new ATOM 0 HA ILE A 149 1.967 -14.600 1.156 1.00 0.84 H new ATOM 0 HB ILE A 149 -0.546 -12.994 0.572 1.00 0.82 H new ATOM 0 HG12 ILE A 149 0.848 -13.739 3.166 1.00 0.86 H new ATOM 0 HG13 ILE A 149 0.785 -12.142 2.447 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -1.757 -14.762 1.797 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -1.003 -15.384 0.311 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -0.257 -15.715 1.892 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -0.832 -12.345 4.274 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -1.669 -12.100 2.723 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -1.606 -13.721 3.453 1.00 1.02 H new ATOM 475 N CYS A 150 0.689 -13.963 -1.829 1.00 0.73 N ATOM 476 CA CYS A 150 0.354 -14.556 -3.096 1.00 0.79 C ATOM 477 C CYS A 150 1.343 -14.099 -4.159 1.00 0.75 C ATOM 478 O CYS A 150 1.641 -14.827 -5.110 1.00 0.87 O ATOM 479 CB CYS A 150 -1.071 -14.165 -3.478 1.00 0.78 C ATOM 480 SG CYS A 150 -1.263 -12.405 -3.883 1.00 0.82 S ATOM 0 H CYS A 150 0.576 -12.950 -1.788 1.00 0.73 H new ATOM 0 HA CYS A 150 0.411 -15.642 -3.020 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -1.385 -14.762 -4.334 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -1.740 -14.414 -2.654 1.00 0.78 H new ATOM 485 N GLY A 151 1.876 -12.899 -3.962 1.00 0.66 N ATOM 486 CA GLY A 151 2.754 -12.306 -4.942 1.00 0.70 C ATOM 487 C GLY A 151 1.991 -11.419 -5.901 1.00 0.66 C ATOM 488 O GLY A 151 2.428 -11.193 -7.028 1.00 0.76 O ATOM 0 H GLY A 151 1.712 -12.326 -3.134 1.00 0.66 H new ATOM 0 HA2 GLY A 151 3.523 -11.722 -4.437 1.00 0.70 H new ATOM 0 HA3 GLY A 151 3.264 -13.092 -5.499 1.00 0.70 H new ATOM 492 N LYS A 152 0.852 -10.901 -5.448 1.00 0.58 N ATOM 493 CA LYS A 152 -0.036 -10.143 -6.337 1.00 0.64 C ATOM 494 C LYS A 152 0.060 -8.647 -6.090 1.00 0.56 C ATOM 495 O LYS A 152 -0.057 -8.189 -4.952 1.00 0.50 O ATOM 496 CB LYS A 152 -1.488 -10.591 -6.189 1.00 0.80 C ATOM 497 CG LYS A 152 -2.473 -9.788 -7.020 1.00 0.89 C ATOM 498 CD LYS A 152 -3.899 -10.212 -6.729 1.00 1.39 C ATOM 499 CE LYS A 152 -4.902 -9.386 -7.515 1.00 1.75 C ATOM 500 NZ LYS A 152 -4.658 -9.458 -8.977 1.00 2.37 N ATOM 0 H LYS A 152 0.522 -10.988 -4.487 1.00 0.58 H new ATOM 0 HA LYS A 152 0.296 -10.348 -7.355 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.563 -11.641 -6.471 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -1.773 -10.521 -5.139 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.354 -8.726 -6.806 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.258 -9.925 -8.080 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.023 -11.266 -6.976 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.099 -10.109 -5.662 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -5.911 -9.738 -7.298 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.850 -8.347 -7.190 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -5.478 -9.071 -9.485 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -3.810 -8.905 -9.215 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -4.514 -10.449 -9.257 1.00 2.37 H new ATOM 514 N SER A 153 0.250 -7.901 -7.175 1.00 0.67 N ATOM 515 CA SER A 153 0.485 -6.463 -7.111 1.00 0.73 C ATOM 516 C SER A 153 -0.773 -5.689 -6.736 1.00 0.76 C ATOM 517 O SER A 153 -1.886 -6.043 -7.139 1.00 0.94 O ATOM 518 CB SER A 153 1.040 -5.970 -8.451 1.00 0.91 C ATOM 519 OG SER A 153 0.251 -6.432 -9.536 1.00 1.46 O ATOM 0 H SER A 153 0.245 -8.277 -8.123 1.00 0.67 H new ATOM 0 HA SER A 153 1.216 -6.280 -6.323 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.068 -4.880 -8.457 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.067 -6.316 -8.572 1.00 0.91 H new ATOM 0 HG SER A 153 0.627 -6.101 -10.378 1.00 1.46 H new ATOM 525 N LEU A 154 -0.579 -4.634 -5.960 1.00 0.71 N ATOM 526 CA LEU A 154 -1.660 -3.769 -5.529 1.00 0.76 C ATOM 527 C LEU A 154 -1.712 -2.531 -6.412 1.00 0.92 C ATOM 528 O LEU A 154 -0.675 -2.015 -6.838 1.00 1.13 O ATOM 529 CB LEU A 154 -1.449 -3.366 -4.069 1.00 0.70 C ATOM 530 CG LEU A 154 -1.225 -4.533 -3.101 1.00 0.70 C ATOM 531 CD1 LEU A 154 -0.992 -4.024 -1.687 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.408 -5.483 -3.143 1.00 0.86 C ATOM 0 H LEU A 154 0.338 -4.355 -5.611 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.606 -4.304 -5.615 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.590 -2.697 -4.013 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.318 -2.798 -3.735 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.333 -5.076 -3.413 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -0.835 -4.869 -1.017 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.112 -3.381 -1.672 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -1.862 -3.456 -1.357 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.237 -6.308 -2.451 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.314 -4.949 -2.855 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.524 -5.875 -4.153 1.00 0.86 H new ATOM 544 N GLU A 155 -2.919 -2.063 -6.685 1.00 1.24 N ATOM 545 CA GLU A 155 -3.116 -0.922 -7.560 1.00 1.53 C ATOM 546 C GLU A 155 -3.430 0.337 -6.758 1.00 1.73 C ATOM 547 O GLU A 155 -2.564 1.191 -6.571 1.00 2.45 O ATOM 548 CB GLU A 155 -4.234 -1.205 -8.560 1.00 1.96 C ATOM 549 CG GLU A 155 -3.893 -2.293 -9.563 1.00 2.39 C ATOM 550 CD GLU A 155 -2.713 -1.919 -10.433 1.00 3.01 C ATOM 551 OE1 GLU A 155 -2.891 -1.122 -11.376 1.00 3.46 O ATOM 552 OE2 GLU A 155 -1.603 -2.436 -10.194 1.00 3.54 O ATOM 0 H GLU A 155 -3.781 -2.459 -6.310 1.00 1.24 H new ATOM 0 HA GLU A 155 -2.189 -0.753 -8.107 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -5.133 -1.494 -8.015 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -4.469 -0.287 -9.099 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -3.671 -3.218 -9.031 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -4.760 -2.488 -10.194 1.00 2.39 H new ATOM 559 N SER A 156 -4.665 0.457 -6.285 1.00 1.83 N ATOM 560 CA SER A 156 -5.063 1.613 -5.491 1.00 2.22 C ATOM 561 C SER A 156 -6.105 1.231 -4.445 1.00 1.96 C ATOM 562 O SER A 156 -5.913 1.448 -3.250 1.00 2.65 O ATOM 563 CB SER A 156 -5.610 2.716 -6.408 1.00 3.04 C ATOM 564 OG SER A 156 -4.654 3.079 -7.394 1.00 3.58 O ATOM 0 H SER A 156 -5.405 -0.229 -6.437 1.00 1.83 H new ATOM 0 HA SER A 156 -4.183 1.986 -4.967 1.00 2.22 H new ATOM 0 HB2 SER A 156 -6.524 2.372 -6.892 1.00 3.04 H new ATOM 0 HB3 SER A 156 -5.874 3.590 -5.813 1.00 3.04 H new ATOM 0 HG SER A 156 -5.026 3.782 -7.967 1.00 3.58 H new ATOM 570 N THR A 157 -7.191 0.624 -4.893 1.00 1.62 N ATOM 571 CA THR A 157 -8.310 0.322 -4.017 1.00 1.69 C ATOM 572 C THR A 157 -8.079 -0.959 -3.219 1.00 1.51 C ATOM 573 O THR A 157 -8.785 -1.231 -2.248 1.00 2.11 O ATOM 574 CB THR A 157 -9.612 0.196 -4.820 1.00 2.15 C ATOM 575 OG1 THR A 157 -9.418 -0.698 -5.926 1.00 2.66 O ATOM 576 CG2 THR A 157 -10.056 1.559 -5.328 1.00 2.67 C ATOM 0 H THR A 157 -7.322 0.330 -5.861 1.00 1.62 H new ATOM 0 HA THR A 157 -8.395 1.152 -3.315 1.00 1.69 H new ATOM 0 HB THR A 157 -10.388 -0.203 -4.167 1.00 2.15 H new ATOM 0 HG1 THR A 157 -10.252 -0.776 -6.434 1.00 2.66 H new ATOM 0 HG21 THR A 157 -10.981 1.452 -5.895 1.00 2.67 H new ATOM 0 HG22 THR A 157 -10.224 2.225 -4.482 1.00 2.67 H new ATOM 0 HG23 THR A 157 -9.282 1.977 -5.971 1.00 2.67 H new ATOM 584 N ASN A 158 -7.089 -1.740 -3.624 1.00 1.17 N ATOM 585 CA ASN A 158 -6.793 -2.996 -2.949 1.00 1.14 C ATOM 586 C ASN A 158 -5.520 -2.881 -2.115 1.00 0.94 C ATOM 587 O ASN A 158 -4.972 -3.886 -1.662 1.00 1.16 O ATOM 588 CB ASN A 158 -6.668 -4.149 -3.959 1.00 1.38 C ATOM 589 CG ASN A 158 -5.484 -3.994 -4.899 1.00 1.61 C ATOM 590 OD1 ASN A 158 -5.060 -2.881 -5.215 1.00 2.30 O ATOM 591 ND2 ASN A 158 -4.948 -5.114 -5.364 1.00 2.09 N ATOM 0 H ASN A 158 -6.479 -1.528 -4.413 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.624 -3.216 -2.279 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.573 -5.090 -3.417 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -7.584 -4.211 -4.546 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -4.157 -5.072 -6.006 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.327 -6.017 -5.079 1.00 2.09 H new ATOM 598 N VAL A 159 -5.068 -1.650 -1.885 1.00 0.79 N ATOM 599 CA VAL A 159 -3.862 -1.416 -1.098 1.00 0.72 C ATOM 600 C VAL A 159 -4.172 -1.522 0.395 1.00 0.69 C ATOM 601 O VAL A 159 -4.749 -0.610 0.985 1.00 0.83 O ATOM 602 CB VAL A 159 -3.235 -0.029 -1.385 1.00 0.94 C ATOM 603 CG1 VAL A 159 -2.031 0.214 -0.485 1.00 1.27 C ATOM 604 CG2 VAL A 159 -2.828 0.095 -2.848 1.00 1.59 C ATOM 0 H VAL A 159 -5.518 -0.803 -2.232 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.143 -2.182 -1.388 1.00 0.72 H new ATOM 0 HB VAL A 159 -3.990 0.728 -1.172 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -1.606 1.194 -0.703 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -2.344 0.178 0.559 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -1.281 -0.556 -0.666 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -2.391 1.078 -3.022 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -2.096 -0.676 -3.088 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -3.706 -0.029 -3.482 1.00 1.59 H new ATOM 614 N THR A 160 -3.805 -2.646 0.993 1.00 0.62 N ATOM 615 CA THR A 160 -4.014 -2.854 2.415 1.00 0.67 C ATOM 616 C THR A 160 -2.685 -3.186 3.084 1.00 0.70 C ATOM 617 O THR A 160 -1.776 -3.697 2.435 1.00 0.81 O ATOM 618 CB THR A 160 -5.020 -3.997 2.650 1.00 0.71 C ATOM 619 OG1 THR A 160 -6.078 -3.901 1.687 1.00 1.16 O ATOM 620 CG2 THR A 160 -5.604 -3.932 4.052 1.00 1.08 C ATOM 0 H THR A 160 -3.360 -3.428 0.513 1.00 0.62 H new ATOM 0 HA THR A 160 -4.420 -1.940 2.849 1.00 0.67 H new ATOM 0 HB THR A 160 -4.497 -4.947 2.541 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.905 -4.258 2.073 1.00 1.16 H new ATOM 0 HG21 THR A 160 -6.311 -4.750 4.190 1.00 1.08 H new ATOM 0 HG22 THR A 160 -4.802 -4.018 4.785 1.00 1.08 H new ATOM 0 HG23 THR A 160 -6.119 -2.981 4.188 1.00 1.08 H new ATOM 628 N ASP A 161 -2.550 -2.866 4.358 1.00 0.82 N ATOM 629 CA ASP A 161 -1.345 -3.221 5.094 1.00 0.93 C ATOM 630 C ASP A 161 -1.700 -3.640 6.507 1.00 0.96 C ATOM 631 O ASP A 161 -2.720 -3.219 7.055 1.00 1.06 O ATOM 632 CB ASP A 161 -0.342 -2.058 5.129 1.00 1.18 C ATOM 633 CG ASP A 161 -0.823 -0.892 5.970 1.00 1.61 C ATOM 634 OD1 ASP A 161 -1.517 -0.003 5.426 1.00 2.27 O ATOM 635 OD2 ASP A 161 -0.505 -0.856 7.177 1.00 2.13 O ATOM 0 H ASP A 161 -3.252 -2.365 4.903 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.874 -4.056 4.576 1.00 0.93 H new ATOM 0 HB2 ASP A 161 0.609 -2.416 5.523 1.00 1.18 H new ATOM 0 HB3 ASP A 161 -0.156 -1.714 4.112 1.00 1.18 H new ATOM 640 N LYS A 162 -0.868 -4.485 7.083 1.00 0.98 N ATOM 641 CA LYS A 162 -1.041 -4.903 8.459 1.00 1.10 C ATOM 642 C LYS A 162 0.311 -5.227 9.070 1.00 1.22 C ATOM 643 O LYS A 162 1.063 -6.039 8.523 1.00 1.27 O ATOM 644 CB LYS A 162 -1.952 -6.122 8.550 1.00 1.17 C ATOM 645 CG LYS A 162 -2.282 -6.517 9.977 1.00 1.55 C ATOM 646 CD LYS A 162 -2.931 -7.886 10.055 1.00 1.86 C ATOM 647 CE LYS A 162 -2.001 -8.974 9.545 1.00 2.36 C ATOM 648 NZ LYS A 162 -2.516 -10.331 9.863 1.00 2.95 N ATOM 0 H LYS A 162 -0.061 -4.897 6.615 1.00 0.98 H new ATOM 0 HA LYS A 162 -1.506 -4.085 9.010 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -2.878 -5.916 8.014 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -1.474 -6.963 8.049 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -1.370 -6.514 10.574 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -2.950 -5.774 10.413 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -3.210 -8.099 11.087 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -3.850 -7.888 9.469 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.881 -8.874 8.466 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -1.014 -8.846 9.989 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -1.771 -11.035 9.686 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -2.799 -10.369 10.863 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -3.339 -10.539 9.262 1.00 2.95 H new ATOM 662 N ASP A 163 0.622 -4.569 10.181 1.00 1.37 N ATOM 663 CA ASP A 163 1.866 -4.806 10.912 1.00 1.58 C ATOM 664 C ASP A 163 3.075 -4.463 10.050 1.00 1.48 C ATOM 665 O ASP A 163 4.146 -5.057 10.191 1.00 1.94 O ATOM 666 CB ASP A 163 1.953 -6.257 11.402 1.00 1.83 C ATOM 667 CG ASP A 163 0.966 -6.554 12.514 1.00 2.42 C ATOM 668 OD1 ASP A 163 1.262 -6.238 13.686 1.00 2.80 O ATOM 669 OD2 ASP A 163 -0.114 -7.106 12.219 1.00 2.97 O ATOM 0 H ASP A 163 0.023 -3.858 10.601 1.00 1.37 H new ATOM 0 HA ASP A 163 1.867 -4.153 11.784 1.00 1.58 H new ATOM 0 HB2 ASP A 163 1.767 -6.931 10.566 1.00 1.83 H new ATOM 0 HB3 ASP A 163 2.964 -6.458 11.755 1.00 1.83 H new ATOM 674 N GLY A 164 2.891 -3.502 9.153 1.00 1.41 N ATOM 675 CA GLY A 164 3.976 -3.050 8.303 1.00 1.46 C ATOM 676 C GLY A 164 4.120 -3.863 7.030 1.00 1.29 C ATOM 677 O GLY A 164 4.902 -3.508 6.147 1.00 1.45 O ATOM 0 H GLY A 164 2.003 -3.025 8.999 1.00 1.41 H new ATOM 0 HA2 GLY A 164 3.812 -2.005 8.042 1.00 1.46 H new ATOM 0 HA3 GLY A 164 4.910 -3.096 8.863 1.00 1.46 H new ATOM 681 N GLU A 165 3.369 -4.948 6.924 1.00 1.10 N ATOM 682 CA GLU A 165 3.424 -5.783 5.740 1.00 1.01 C ATOM 683 C GLU A 165 2.240 -5.478 4.830 1.00 0.86 C ATOM 684 O GLU A 165 1.106 -5.344 5.293 1.00 0.92 O ATOM 685 CB GLU A 165 3.436 -7.264 6.129 1.00 1.13 C ATOM 686 CG GLU A 165 3.695 -8.204 4.965 1.00 1.48 C ATOM 687 CD GLU A 165 5.019 -7.937 4.287 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.117 -6.937 3.547 1.00 2.17 O ATOM 689 OE2 GLU A 165 5.966 -8.727 4.481 1.00 2.21 O ATOM 0 H GLU A 165 2.718 -5.268 7.641 1.00 1.10 H new ATOM 0 HA GLU A 165 4.345 -5.565 5.199 1.00 1.01 H new ATOM 0 HB2 GLU A 165 4.201 -7.424 6.889 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.478 -7.518 6.582 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.675 -9.233 5.323 1.00 1.48 H new ATOM 0 HG3 GLU A 165 2.891 -8.104 4.236 1.00 1.48 H new ATOM 696 N LEU A 166 2.516 -5.345 3.543 1.00 0.77 N ATOM 697 CA LEU A 166 1.479 -5.040 2.561 1.00 0.65 C ATOM 698 C LEU A 166 0.719 -6.298 2.178 1.00 0.55 C ATOM 699 O LEU A 166 1.318 -7.351 1.951 1.00 0.63 O ATOM 700 CB LEU A 166 2.084 -4.396 1.308 1.00 0.71 C ATOM 701 CG LEU A 166 2.221 -2.868 1.337 1.00 0.86 C ATOM 702 CD1 LEU A 166 0.854 -2.206 1.257 1.00 1.25 C ATOM 703 CD2 LEU A 166 2.951 -2.408 2.589 1.00 1.21 C ATOM 0 H LEU A 166 3.452 -5.443 3.149 1.00 0.77 H new ATOM 0 HA LEU A 166 0.786 -4.332 3.016 1.00 0.65 H new ATOM 0 HB2 LEU A 166 3.072 -4.827 1.143 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.470 -4.670 0.450 1.00 0.71 H new ATOM 0 HG LEU A 166 2.808 -2.570 0.468 1.00 0.86 H new ATOM 0 HD11 LEU A 166 0.973 -1.123 1.279 1.00 1.25 H new ATOM 0 HD12 LEU A 166 0.362 -2.498 0.329 1.00 1.25 H new ATOM 0 HD13 LEU A 166 0.247 -2.522 2.105 1.00 1.25 H new ATOM 0 HD21 LEU A 166 3.034 -1.321 2.583 1.00 1.21 H new ATOM 0 HD22 LEU A 166 2.395 -2.725 3.471 1.00 1.21 H new ATOM 0 HD23 LEU A 166 3.948 -2.848 2.611 1.00 1.21 H new ATOM 715 N TYR A 167 -0.600 -6.176 2.113 1.00 0.46 N ATOM 716 CA TYR A 167 -1.472 -7.283 1.763 1.00 0.38 C ATOM 717 C TYR A 167 -2.538 -6.822 0.773 1.00 0.33 C ATOM 718 O TYR A 167 -2.985 -5.672 0.820 1.00 0.45 O ATOM 719 CB TYR A 167 -2.162 -7.851 3.010 1.00 0.46 C ATOM 720 CG TYR A 167 -1.221 -8.382 4.069 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.366 -9.442 3.801 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.200 -7.829 5.343 1.00 0.79 C ATOM 723 CE1 TYR A 167 0.485 -9.935 4.773 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.350 -8.314 6.318 1.00 0.97 C ATOM 725 CZ TYR A 167 0.489 -9.367 6.028 1.00 1.03 C ATOM 726 OH TYR A 167 1.332 -9.857 7.003 1.00 1.23 O ATOM 0 H TYR A 167 -1.094 -5.304 2.302 1.00 0.46 H new ATOM 0 HA TYR A 167 -0.858 -8.061 1.309 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.781 -7.071 3.452 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -2.832 -8.654 2.703 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.365 -9.889 2.818 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.859 -7.006 5.575 1.00 0.79 H new ATOM 0 HE1 TYR A 167 1.143 -10.761 4.549 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -0.343 -7.870 7.302 1.00 0.97 H new ATOM 0 HH TYR A 167 1.210 -9.344 7.829 1.00 1.23 H new ATOM 736 N CYS A 168 -2.921 -7.714 -0.129 1.00 0.30 N ATOM 737 CA CYS A 168 -4.023 -7.449 -1.035 1.00 0.38 C ATOM 738 C CYS A 168 -5.322 -7.378 -0.244 1.00 0.45 C ATOM 739 O CYS A 168 -5.436 -8.001 0.811 1.00 0.47 O ATOM 740 CB CYS A 168 -4.126 -8.552 -2.088 1.00 0.46 C ATOM 741 SG CYS A 168 -2.536 -9.040 -2.823 1.00 0.52 S ATOM 0 H CYS A 168 -2.483 -8.627 -0.251 1.00 0.30 H new ATOM 0 HA CYS A 168 -3.845 -6.499 -1.539 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -4.587 -9.429 -1.634 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -4.792 -8.217 -2.883 1.00 0.46 H new ATOM 746 N LYS A 169 -6.297 -6.636 -0.744 1.00 0.60 N ATOM 747 CA LYS A 169 -7.585 -6.538 -0.065 1.00 0.72 C ATOM 748 C LYS A 169 -8.214 -7.925 0.069 1.00 0.69 C ATOM 749 O LYS A 169 -8.838 -8.244 1.083 1.00 0.75 O ATOM 750 CB LYS A 169 -8.524 -5.596 -0.824 1.00 0.94 C ATOM 751 CG LYS A 169 -9.702 -5.115 0.011 1.00 1.57 C ATOM 752 CD LYS A 169 -10.621 -4.196 -0.779 1.00 1.97 C ATOM 753 CE LYS A 169 -11.672 -3.567 0.119 1.00 2.66 C ATOM 754 NZ LYS A 169 -11.079 -2.594 1.074 1.00 3.12 N ATOM 0 H LYS A 169 -6.226 -6.097 -1.607 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.423 -6.128 0.932 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -7.957 -4.732 -1.171 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.901 -6.107 -1.710 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.269 -5.975 0.368 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.332 -4.589 0.891 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -10.033 -3.413 -1.258 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -11.109 -4.760 -1.574 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -12.419 -3.063 -0.495 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -12.190 -4.349 0.674 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -11.831 -1.997 1.473 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -10.601 -3.108 1.841 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -10.389 -1.995 0.576 1.00 3.12 H new ATOM 768 N VAL A 170 -8.006 -8.753 -0.950 1.00 0.70 N ATOM 769 CA VAL A 170 -8.517 -10.118 -0.952 1.00 0.77 C ATOM 770 C VAL A 170 -7.753 -10.979 0.049 1.00 0.69 C ATOM 771 O VAL A 170 -8.347 -11.745 0.809 1.00 0.78 O ATOM 772 CB VAL A 170 -8.411 -10.754 -2.355 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.016 -12.151 -2.363 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.084 -9.872 -3.396 1.00 1.02 C ATOM 0 H VAL A 170 -7.484 -8.500 -1.789 1.00 0.70 H new ATOM 0 HA VAL A 170 -9.568 -10.073 -0.665 1.00 0.77 H new ATOM 0 HB VAL A 170 -7.355 -10.840 -2.610 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -8.930 -12.579 -3.362 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -8.484 -12.782 -1.651 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.068 -12.094 -2.082 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -8.998 -10.338 -4.378 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.137 -9.750 -3.143 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -8.599 -8.896 -3.414 1.00 1.02 H new ATOM 784 N CYS A 171 -6.431 -10.843 0.050 1.00 0.58 N ATOM 785 CA CYS A 171 -5.586 -11.616 0.943 1.00 0.59 C ATOM 786 C CYS A 171 -5.756 -11.182 2.400 1.00 0.57 C ATOM 787 O CYS A 171 -5.613 -11.993 3.316 1.00 0.66 O ATOM 788 CB CYS A 171 -4.127 -11.513 0.504 1.00 0.58 C ATOM 789 SG CYS A 171 -3.839 -12.170 -1.172 1.00 0.80 S ATOM 0 H CYS A 171 -5.924 -10.202 -0.560 1.00 0.58 H new ATOM 0 HA CYS A 171 -5.896 -12.659 0.884 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -3.816 -10.469 0.537 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -3.501 -12.055 1.213 1.00 0.58 H new ATOM 794 N TYR A 172 -6.068 -9.912 2.615 1.00 0.51 N ATOM 795 CA TYR A 172 -6.355 -9.424 3.955 1.00 0.59 C ATOM 796 C TYR A 172 -7.690 -9.962 4.429 1.00 0.67 C ATOM 797 O TYR A 172 -7.860 -10.256 5.603 1.00 0.76 O ATOM 798 CB TYR A 172 -6.357 -7.894 4.005 1.00 0.65 C ATOM 799 CG TYR A 172 -6.436 -7.328 5.412 1.00 0.89 C ATOM 800 CD1 TYR A 172 -7.657 -7.211 6.065 1.00 1.24 C ATOM 801 CD2 TYR A 172 -5.292 -6.911 6.086 1.00 1.29 C ATOM 802 CE1 TYR A 172 -7.735 -6.693 7.345 1.00 1.45 C ATOM 803 CE2 TYR A 172 -5.365 -6.397 7.362 1.00 1.57 C ATOM 804 CZ TYR A 172 -6.571 -6.292 7.989 1.00 1.48 C ATOM 805 OH TYR A 172 -6.654 -5.766 9.258 1.00 1.78 O ATOM 0 H TYR A 172 -6.129 -9.205 1.883 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.566 -9.780 4.618 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.452 -7.523 3.524 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.202 -7.522 3.425 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -8.560 -7.530 5.565 1.00 1.24 H new ATOM 0 HD2 TYR A 172 -4.331 -6.992 5.600 1.00 1.29 H new ATOM 0 HE1 TYR A 172 -8.691 -6.601 7.839 1.00 1.45 H new ATOM 0 HE2 TYR A 172 -4.465 -6.077 7.866 1.00 1.57 H new ATOM 0 HH TYR A 172 -7.249 -6.321 9.804 1.00 1.78 H new ATOM 815 N ALA A 173 -8.626 -10.104 3.506 1.00 0.72 N ATOM 816 CA ALA A 173 -9.920 -10.692 3.817 1.00 0.87 C ATOM 817 C ALA A 173 -9.757 -12.115 4.352 1.00 0.91 C ATOM 818 O ALA A 173 -10.619 -12.621 5.064 1.00 1.05 O ATOM 819 CB ALA A 173 -10.822 -10.678 2.592 1.00 1.05 C ATOM 0 H ALA A 173 -8.515 -9.820 2.533 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.389 -10.090 4.595 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -11.785 -11.122 2.844 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -10.971 -9.650 2.262 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -10.357 -11.252 1.791 1.00 1.05 H new ATOM 825 N LYS A 174 -8.645 -12.756 3.991 1.00 0.89 N ATOM 826 CA LYS A 174 -8.347 -14.110 4.448 1.00 1.06 C ATOM 827 C LYS A 174 -7.804 -14.124 5.881 1.00 1.08 C ATOM 828 O LYS A 174 -8.092 -15.047 6.643 1.00 1.27 O ATOM 829 CB LYS A 174 -7.351 -14.792 3.498 1.00 1.17 C ATOM 830 CG LYS A 174 -7.925 -15.072 2.114 1.00 1.67 C ATOM 831 CD LYS A 174 -6.929 -15.779 1.204 1.00 2.21 C ATOM 832 CE LYS A 174 -5.735 -14.898 0.876 1.00 2.63 C ATOM 833 NZ LYS A 174 -4.853 -15.504 -0.159 1.00 3.36 N ATOM 0 H LYS A 174 -7.933 -12.355 3.380 1.00 0.89 H new ATOM 0 HA LYS A 174 -9.284 -14.667 4.444 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -6.468 -14.161 3.396 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.022 -15.731 3.943 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -8.821 -15.685 2.213 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -8.230 -14.132 1.653 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -6.584 -16.694 1.686 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -7.427 -16.074 0.280 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -6.087 -13.927 0.527 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -5.158 -14.720 1.783 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -4.367 -14.750 -0.685 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -4.148 -16.116 0.300 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -5.427 -16.070 -0.816 1.00 3.36 H new ATOM 847 N ASN A 175 -6.996 -13.132 6.246 1.00 1.04 N ATOM 848 CA ASN A 175 -6.405 -13.103 7.589 1.00 1.24 C ATOM 849 C ASN A 175 -7.179 -12.204 8.561 1.00 1.33 C ATOM 850 O ASN A 175 -7.083 -12.381 9.777 1.00 1.56 O ATOM 851 CB ASN A 175 -4.932 -12.708 7.539 1.00 1.47 C ATOM 852 CG ASN A 175 -4.692 -11.259 7.157 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.656 -10.376 8.015 1.00 2.65 O ATOM 854 ND2 ASN A 175 -4.501 -11.006 5.872 1.00 2.25 N ATOM 0 H ASN A 175 -6.736 -12.349 5.646 1.00 1.04 H new ATOM 0 HA ASN A 175 -6.476 -14.120 7.976 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -4.484 -12.894 8.515 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -4.418 -13.351 6.824 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -4.316 -10.052 5.562 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -4.539 -11.765 5.192 1.00 2.25 H new ATOM 861 N PHE A 176 -7.915 -11.232 8.011 1.00 1.30 N ATOM 862 CA PHE A 176 -8.807 -10.338 8.782 1.00 1.58 C ATOM 863 C PHE A 176 -8.038 -9.304 9.610 1.00 2.55 C ATOM 864 O PHE A 176 -8.497 -8.176 9.787 1.00 3.04 O ATOM 865 CB PHE A 176 -9.744 -11.135 9.691 1.00 1.55 C ATOM 866 CG PHE A 176 -10.627 -12.121 8.968 1.00 2.24 C ATOM 867 CD1 PHE A 176 -10.084 -13.252 8.387 1.00 2.85 C ATOM 868 CD2 PHE A 176 -11.996 -11.923 8.882 1.00 2.73 C ATOM 869 CE1 PHE A 176 -10.876 -14.170 7.737 1.00 3.93 C ATOM 870 CE2 PHE A 176 -12.801 -12.840 8.229 1.00 3.72 C ATOM 871 CZ PHE A 176 -12.239 -13.966 7.655 1.00 4.32 C ATOM 0 H PHE A 176 -7.913 -11.036 7.010 1.00 1.30 H new ATOM 0 HA PHE A 176 -9.399 -9.797 8.044 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -9.146 -11.673 10.426 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -10.375 -10.438 10.242 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -9.018 -13.418 8.445 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -12.439 -11.045 9.329 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -10.433 -15.048 7.292 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -13.867 -12.677 8.168 1.00 3.72 H new ATOM 0 HZ PHE A 176 -12.864 -14.683 7.144 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -1.991 -11.151 -2.101 1.00 0.51 ZN HETATM 883 ZN ZN A 191 11.017 -4.431 -5.622 1.00 0.75 ZN