USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 179 CYS SG : rot -138:sc= -0.463 USER MOD Set 1.2: A 182 CYS SG : rot 144:sc= 0.0754 USER MOD Set 1.3: A 186 HIS : no HE2:sc= -2.11 K(o=-2.5,f=-4.1!) USER MOD Set 2.1: A 138 CYS SG : rot -93:sc= -3.62! USER MOD Set 2.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 160 CYS SG : rot -45:sc= -0.859 USER MOD Set 2.4: A 163 CYS SG : rot 147:sc= -1.55! USER MOD Single : A 139 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.5) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.5) USER MOD Single : A 155 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.163) USER MOD Single : A 157 HIS : no HD1:sc= -1.87 X(o=-1.9,f=-1.8!) USER MOD Single : A 165 THR OG1 : rot -74:sc= 0.303 USER MOD Single : A 167 SER OG : rot 103:sc= 0.09 USER MOD Single : A 175 ASN : amide:sc= -0.135 K(o=-0.14,f=-2) USER MOD Single : A 176 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0197) USER MOD Single : A 178 TYR OH : rot -60:sc= 0.956 USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 181 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.5!) USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ALA A 136 -8.172 20.541 -12.134 1.00 0.00 N ATOM 18 CA ALA A 136 -8.302 19.624 -11.007 1.00 0.00 C ATOM 19 C ALA A 136 -9.656 19.778 -10.326 1.00 0.00 C ATOM 20 O ALA A 136 -9.967 20.831 -9.771 1.00 0.00 O ATOM 21 CB ALA A 136 -7.177 19.857 -10.009 1.00 0.00 C ATOM 0 HA ALA A 136 -8.232 18.605 -11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.284 19.167 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.217 19.689 -10.497 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.223 20.882 -9.642 1.00 0.00 H new ATOM 27 N ARG A 137 -10.461 18.722 -10.377 1.00 0.00 N ATOM 28 CA ARG A 137 -11.785 18.740 -9.768 1.00 0.00 C ATOM 29 C ARG A 137 -12.294 17.321 -9.529 1.00 0.00 C ATOM 30 O ARG A 137 -12.464 16.547 -10.473 1.00 0.00 O ATOM 31 CB ARG A 137 -12.765 19.505 -10.663 1.00 0.00 C ATOM 32 CG ARG A 137 -14.198 19.497 -10.153 1.00 0.00 C ATOM 33 CD ARG A 137 -14.649 20.885 -9.726 1.00 0.00 C ATOM 34 NE ARG A 137 -15.307 21.604 -10.814 1.00 0.00 N ATOM 35 CZ ARG A 137 -16.567 21.389 -11.190 1.00 0.00 C ATOM 36 NH1 ARG A 137 -17.308 20.482 -10.565 1.00 0.00 N ATOM 37 NH2 ARG A 137 -17.086 22.084 -12.193 1.00 0.00 N ATOM 0 H ARG A 137 -10.219 17.843 -10.834 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.711 19.244 -8.805 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.428 20.537 -10.755 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.743 19.072 -11.663 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.860 19.123 -10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.281 18.812 -9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -15.333 20.800 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -13.787 21.457 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.771 22.312 -11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.913 19.945 -9.793 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -18.272 20.322 -10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -16.521 22.782 -12.676 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -18.050 21.920 -12.482 1.00 0.00 H new ATOM 51 N CYS A 138 -12.544 16.984 -8.266 1.00 0.00 N ATOM 52 CA CYS A 138 -13.041 15.657 -7.920 1.00 0.00 C ATOM 53 C CYS A 138 -14.365 15.390 -8.626 1.00 0.00 C ATOM 54 O CYS A 138 -15.425 15.828 -8.172 1.00 0.00 O ATOM 55 CB CYS A 138 -13.212 15.520 -6.407 1.00 0.00 C ATOM 56 SG CYS A 138 -13.461 13.818 -5.854 1.00 0.00 S ATOM 0 H CYS A 138 -12.411 17.608 -7.470 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.309 14.920 -8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.330 15.928 -5.912 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.063 16.123 -6.091 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.734 13.565 -5.788 1.00 0.00 H new ATOM 61 N GLN A 139 -14.290 14.688 -9.754 1.00 0.00 N ATOM 62 CA GLN A 139 -15.474 14.376 -10.551 1.00 0.00 C ATOM 63 C GLN A 139 -16.157 13.087 -10.096 1.00 0.00 C ATOM 64 O GLN A 139 -16.594 12.286 -10.922 1.00 0.00 O ATOM 65 CB GLN A 139 -15.096 14.266 -12.029 1.00 0.00 C ATOM 66 CG GLN A 139 -14.016 13.233 -12.312 1.00 0.00 C ATOM 67 CD GLN A 139 -14.586 11.891 -12.729 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.578 11.822 -13.453 1.00 0.00 O ATOM 69 NE2 GLN A 139 -13.956 10.814 -12.273 1.00 0.00 N ATOM 0 H GLN A 139 -13.418 14.323 -10.138 1.00 0.00 H new ATOM 0 HA GLN A 139 -16.183 15.191 -10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -15.987 14.013 -12.604 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.755 15.240 -12.381 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -13.360 13.605 -13.099 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.402 13.102 -11.421 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -13.136 10.918 -11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -14.292 9.883 -12.521 1.00 0.00 H new ATOM 78 N VAL A 140 -16.270 12.894 -8.785 1.00 0.00 N ATOM 79 CA VAL A 140 -16.923 11.706 -8.253 1.00 0.00 C ATOM 80 C VAL A 140 -18.417 11.966 -8.059 1.00 0.00 C ATOM 81 O VAL A 140 -18.801 12.953 -7.434 1.00 0.00 O ATOM 82 CB VAL A 140 -16.299 11.266 -6.913 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.868 9.928 -6.470 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.785 11.195 -7.030 1.00 0.00 C ATOM 0 H VAL A 140 -15.920 13.540 -8.078 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.781 10.903 -8.976 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.550 12.009 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.415 9.636 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.947 10.015 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.651 9.172 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.361 10.883 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.513 10.474 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.394 12.177 -7.297 1.00 0.00 H new ATOM 94 N PRO A 141 -19.288 11.091 -8.597 1.00 0.00 N ATOM 95 CA PRO A 141 -20.740 11.250 -8.478 1.00 0.00 C ATOM 96 C PRO A 141 -21.179 11.555 -7.049 1.00 0.00 C ATOM 97 O PRO A 141 -21.826 12.570 -6.791 1.00 0.00 O ATOM 98 CB PRO A 141 -21.305 9.895 -8.941 1.00 0.00 C ATOM 99 CG PRO A 141 -20.123 8.997 -9.118 1.00 0.00 C ATOM 100 CD PRO A 141 -18.941 9.890 -9.363 1.00 0.00 C ATOM 0 HA PRO A 141 -21.099 12.092 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.998 9.488 -8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.858 10.001 -9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -19.967 8.382 -8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -20.275 8.316 -9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -18.012 9.439 -9.013 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.810 10.108 -10.423 1.00 0.00 H new ATOM 108 N ASP A 142 -20.824 10.671 -6.125 1.00 0.00 N ATOM 109 CA ASP A 142 -21.183 10.847 -4.722 1.00 0.00 C ATOM 110 C ASP A 142 -20.371 11.970 -4.077 1.00 0.00 C ATOM 111 O ASP A 142 -20.750 12.492 -3.028 1.00 0.00 O ATOM 112 CB ASP A 142 -20.968 9.542 -3.953 1.00 0.00 C ATOM 113 CG ASP A 142 -19.537 9.049 -4.041 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.044 8.857 -5.172 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.911 8.851 -2.978 1.00 0.00 O ATOM 0 H ASP A 142 -20.288 9.825 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.237 11.121 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.234 9.692 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.638 8.777 -4.346 1.00 0.00 H new ATOM 120 N CYS A 143 -19.254 12.337 -4.700 1.00 0.00 N ATOM 121 CA CYS A 143 -18.401 13.395 -4.169 1.00 0.00 C ATOM 122 C CYS A 143 -17.967 14.366 -5.265 1.00 0.00 C ATOM 123 O CYS A 143 -16.967 14.143 -5.947 1.00 0.00 O ATOM 124 CB CYS A 143 -17.170 12.792 -3.487 1.00 0.00 C ATOM 125 SG CYS A 143 -16.046 14.015 -2.773 1.00 0.00 S ATOM 0 H CYS A 143 -18.920 11.919 -5.569 1.00 0.00 H new ATOM 0 HA CYS A 143 -18.982 13.953 -3.435 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.500 12.115 -2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.622 12.193 -4.214 1.00 0.00 H new ATOM 0 HG CYS A 143 -15.039 13.408 -2.219 1.00 0.00 H new ATOM 130 N GLU A 144 -18.718 15.452 -5.416 1.00 0.00 N ATOM 131 CA GLU A 144 -18.402 16.465 -6.417 1.00 0.00 C ATOM 132 C GLU A 144 -17.583 17.586 -5.784 1.00 0.00 C ATOM 133 O GLU A 144 -18.097 18.671 -5.513 1.00 0.00 O ATOM 134 CB GLU A 144 -19.687 17.029 -7.030 1.00 0.00 C ATOM 135 CG GLU A 144 -19.587 17.281 -8.526 1.00 0.00 C ATOM 136 CD GLU A 144 -18.418 18.178 -8.889 1.00 0.00 C ATOM 137 OE1 GLU A 144 -18.054 19.042 -8.065 1.00 0.00 O ATOM 138 OE2 GLU A 144 -17.869 18.014 -9.999 1.00 0.00 O ATOM 0 H GLU A 144 -19.548 15.653 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.815 16.003 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.505 16.334 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -19.939 17.963 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -19.484 16.328 -9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -20.513 17.737 -8.877 1.00 0.00 H new ATOM 145 N ALA A 145 -16.306 17.308 -5.539 1.00 0.00 N ATOM 146 CA ALA A 145 -15.414 18.283 -4.922 1.00 0.00 C ATOM 147 C ALA A 145 -14.715 19.144 -5.966 1.00 0.00 C ATOM 148 O ALA A 145 -14.596 18.758 -7.128 1.00 0.00 O ATOM 149 CB ALA A 145 -14.389 17.576 -4.049 1.00 0.00 C ATOM 0 H ALA A 145 -15.866 16.415 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.020 18.943 -4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.728 18.314 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -14.902 17.016 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.801 16.891 -4.660 1.00 0.00 H new ATOM 155 N ASP A 146 -14.247 20.311 -5.536 1.00 0.00 N ATOM 156 CA ASP A 146 -13.551 21.235 -6.423 1.00 0.00 C ATOM 157 C ASP A 146 -12.125 21.477 -5.935 1.00 0.00 C ATOM 158 O ASP A 146 -11.864 22.421 -5.189 1.00 0.00 O ATOM 159 CB ASP A 146 -14.306 22.563 -6.508 1.00 0.00 C ATOM 160 CG ASP A 146 -13.651 23.545 -7.461 1.00 0.00 C ATOM 161 OD1 ASP A 146 -12.804 23.112 -8.271 1.00 0.00 O ATOM 162 OD2 ASP A 146 -13.983 24.747 -7.397 1.00 0.00 O ATOM 0 H ASP A 146 -14.338 20.640 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.509 20.788 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.330 22.375 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.363 23.009 -5.515 1.00 0.00 H new ATOM 167 N ILE A 147 -11.208 20.612 -6.356 1.00 0.00 N ATOM 168 CA ILE A 147 -9.810 20.722 -5.960 1.00 0.00 C ATOM 169 C ILE A 147 -9.024 21.600 -6.930 1.00 0.00 C ATOM 170 O ILE A 147 -7.948 21.223 -7.395 1.00 0.00 O ATOM 171 CB ILE A 147 -9.145 19.333 -5.878 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.213 18.631 -7.237 1.00 0.00 C ATOM 173 CG2 ILE A 147 -9.812 18.488 -4.804 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.344 17.394 -7.321 1.00 0.00 C ATOM 0 H ILE A 147 -11.410 19.825 -6.973 1.00 0.00 H new ATOM 0 HA ILE A 147 -9.795 21.185 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.097 19.463 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.247 18.354 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -8.910 19.332 -8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.331 17.511 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -9.716 18.985 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -10.868 18.362 -5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.441 16.948 -8.311 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.303 17.668 -7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -8.661 16.675 -6.566 1.00 0.00 H new ATOM 186 N SER A 148 -9.567 22.775 -7.230 1.00 0.00 N ATOM 187 CA SER A 148 -8.914 23.706 -8.144 1.00 0.00 C ATOM 188 C SER A 148 -7.705 24.361 -7.484 1.00 0.00 C ATOM 189 O SER A 148 -6.752 24.748 -8.159 1.00 0.00 O ATOM 190 CB SER A 148 -9.903 24.781 -8.603 1.00 0.00 C ATOM 191 OG SER A 148 -9.393 25.509 -9.705 1.00 0.00 O ATOM 0 H SER A 148 -10.456 23.105 -6.855 1.00 0.00 H new ATOM 0 HA SER A 148 -8.570 23.142 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 148 -10.849 24.315 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 148 -10.112 25.463 -7.779 1.00 0.00 H new ATOM 0 HG SER A 148 -10.045 26.188 -9.979 1.00 0.00 H new ATOM 197 N GLU A 149 -7.751 24.481 -6.159 1.00 0.00 N ATOM 198 CA GLU A 149 -6.658 25.089 -5.409 1.00 0.00 C ATOM 199 C GLU A 149 -5.969 24.058 -4.519 1.00 0.00 C ATOM 200 O GLU A 149 -5.573 24.360 -3.394 1.00 0.00 O ATOM 201 CB GLU A 149 -7.183 26.249 -4.558 1.00 0.00 C ATOM 202 CG GLU A 149 -6.375 27.527 -4.708 1.00 0.00 C ATOM 203 CD GLU A 149 -6.914 28.432 -5.800 1.00 0.00 C ATOM 204 OE1 GLU A 149 -6.557 28.218 -6.977 1.00 0.00 O ATOM 205 OE2 GLU A 149 -7.693 29.353 -5.477 1.00 0.00 O ATOM 0 H GLU A 149 -8.533 24.165 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.927 25.471 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -8.219 26.450 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -7.182 25.949 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -6.376 28.066 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -5.338 27.273 -4.930 1.00 0.00 H new ATOM 212 N LEU A 150 -5.828 22.839 -5.033 1.00 0.00 N ATOM 213 CA LEU A 150 -5.186 21.763 -4.286 1.00 0.00 C ATOM 214 C LEU A 150 -3.851 21.382 -4.919 1.00 0.00 C ATOM 215 O LEU A 150 -3.623 21.624 -6.104 1.00 0.00 O ATOM 216 CB LEU A 150 -6.103 20.540 -4.229 1.00 0.00 C ATOM 217 CG LEU A 150 -5.784 19.540 -3.116 1.00 0.00 C ATOM 218 CD1 LEU A 150 -6.026 20.165 -1.751 1.00 0.00 C ATOM 219 CD2 LEU A 150 -6.614 18.276 -3.281 1.00 0.00 C ATOM 0 H LEU A 150 -6.150 22.572 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 150 -4.998 22.118 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.131 20.881 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.052 20.022 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.730 19.270 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.794 19.439 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.387 21.040 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.071 20.464 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -6.374 17.576 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.674 18.528 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.390 17.817 -4.244 1.00 0.00 H new ATOM 231 N LYS A 151 -2.972 20.788 -4.119 1.00 0.00 N ATOM 232 CA LYS A 151 -1.658 20.373 -4.601 1.00 0.00 C ATOM 233 C LYS A 151 -1.368 18.927 -4.214 1.00 0.00 C ATOM 234 O LYS A 151 -1.734 18.479 -3.128 1.00 0.00 O ATOM 235 CB LYS A 151 -0.573 21.293 -4.036 1.00 0.00 C ATOM 236 CG LYS A 151 -0.458 21.240 -2.521 1.00 0.00 C ATOM 237 CD LYS A 151 -1.363 22.266 -1.859 1.00 0.00 C ATOM 238 CE LYS A 151 -1.575 21.952 -0.386 1.00 0.00 C ATOM 239 NZ LYS A 151 -2.405 22.990 0.289 1.00 0.00 N ATOM 0 H LYS A 151 -3.145 20.583 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 151 -1.657 20.445 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 151 0.387 21.021 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 151 -0.783 22.318 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -0.719 20.242 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 151 0.576 21.421 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 151 -0.925 23.259 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 151 -2.326 22.288 -2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 151 -2.058 20.980 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 151 -0.608 21.879 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 -2.526 22.740 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 -1.932 23.913 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 -3.337 23.042 -0.170 1.00 0.00 H new ATOM 253 N GLY A 152 -0.706 18.202 -5.111 1.00 0.00 N ATOM 254 CA GLY A 152 -0.377 16.814 -4.844 1.00 0.00 C ATOM 255 C GLY A 152 -0.651 15.913 -6.033 1.00 0.00 C ATOM 256 O GLY A 152 -0.915 16.392 -7.136 1.00 0.00 O ATOM 0 H GLY A 152 -0.392 18.551 -6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 152 0.676 16.740 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -0.954 16.465 -3.987 1.00 0.00 H new ATOM 260 N TYR A 153 -0.586 14.605 -5.808 1.00 0.00 N ATOM 261 CA TYR A 153 -0.827 13.633 -6.868 1.00 0.00 C ATOM 262 C TYR A 153 -2.314 13.540 -7.197 1.00 0.00 C ATOM 263 O TYR A 153 -2.691 13.239 -8.330 1.00 0.00 O ATOM 264 CB TYR A 153 -0.294 12.257 -6.462 1.00 0.00 C ATOM 265 CG TYR A 153 -0.688 11.843 -5.061 1.00 0.00 C ATOM 266 CD1 TYR A 153 -2.007 11.539 -4.750 1.00 0.00 C ATOM 267 CD2 TYR A 153 0.261 11.757 -4.051 1.00 0.00 C ATOM 268 CE1 TYR A 153 -2.370 11.162 -3.472 1.00 0.00 C ATOM 269 CE2 TYR A 153 -0.095 11.381 -2.769 1.00 0.00 C ATOM 270 CZ TYR A 153 -1.410 11.084 -2.486 1.00 0.00 C ATOM 271 OH TYR A 153 -1.768 10.709 -1.212 1.00 0.00 O ATOM 0 H TYR A 153 -0.368 14.193 -4.900 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.298 13.970 -7.759 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.660 11.512 -7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 153 0.793 12.261 -6.538 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.761 11.598 -5.521 1.00 0.00 H new ATOM 0 HD2 TYR A 153 1.293 11.987 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.400 10.930 -3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 153 0.654 11.320 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 153 -0.974 10.703 -0.638 1.00 0.00 H new ATOM 281 N HIS A 154 -3.154 13.802 -6.200 1.00 0.00 N ATOM 282 CA HIS A 154 -4.602 13.748 -6.388 1.00 0.00 C ATOM 283 C HIS A 154 -5.096 14.920 -7.239 1.00 0.00 C ATOM 284 O HIS A 154 -6.254 14.952 -7.651 1.00 0.00 O ATOM 285 CB HIS A 154 -5.322 13.748 -5.036 1.00 0.00 C ATOM 286 CG HIS A 154 -4.770 14.736 -4.056 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.515 14.423 -2.738 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.426 16.038 -4.204 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.039 15.488 -2.117 1.00 0.00 C ATOM 290 NE2 HIS A 154 -3.975 16.481 -2.985 1.00 0.00 N ATOM 0 H HIS A 154 -2.859 14.053 -5.256 1.00 0.00 H new ATOM 0 HA HIS A 154 -4.831 12.821 -6.914 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.378 13.963 -5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.262 12.749 -4.603 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -4.494 16.619 -5.112 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.751 15.538 -1.077 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -3.644 17.424 -2.783 1.00 0.00 H new ATOM 298 N LYS A 155 -4.213 15.881 -7.498 1.00 0.00 N ATOM 299 CA LYS A 155 -4.569 17.046 -8.301 1.00 0.00 C ATOM 300 C LYS A 155 -4.655 16.681 -9.779 1.00 0.00 C ATOM 301 O LYS A 155 -5.554 17.134 -10.488 1.00 0.00 O ATOM 302 CB LYS A 155 -3.543 18.162 -8.096 1.00 0.00 C ATOM 303 CG LYS A 155 -4.056 19.538 -8.492 1.00 0.00 C ATOM 304 CD LYS A 155 -2.982 20.355 -9.191 1.00 0.00 C ATOM 305 CE LYS A 155 -3.537 21.671 -9.714 1.00 0.00 C ATOM 306 NZ LYS A 155 -3.977 21.563 -11.132 1.00 0.00 N ATOM 0 H LYS A 155 -3.249 15.876 -7.164 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.548 17.398 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.244 18.182 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.650 17.935 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.918 19.430 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -4.398 20.069 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -2.165 20.553 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -2.566 19.780 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -4.379 21.982 -9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -2.775 22.446 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -4.639 22.335 -11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -3.149 21.630 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -4.450 20.649 -11.280 1.00 0.00 H new ATOM 320 N ARG A 156 -3.715 15.860 -10.236 1.00 0.00 N ATOM 321 CA ARG A 156 -3.681 15.432 -11.631 1.00 0.00 C ATOM 322 C ARG A 156 -4.479 14.144 -11.840 1.00 0.00 C ATOM 323 O ARG A 156 -4.189 13.370 -12.751 1.00 0.00 O ATOM 324 CB ARG A 156 -2.234 15.225 -12.085 1.00 0.00 C ATOM 325 CG ARG A 156 -2.037 15.394 -13.583 1.00 0.00 C ATOM 326 CD ARG A 156 -1.808 14.057 -14.270 1.00 0.00 C ATOM 327 NE ARG A 156 -0.839 14.158 -15.359 1.00 0.00 N ATOM 328 CZ ARG A 156 -0.192 13.116 -15.877 1.00 0.00 C ATOM 329 NH1 ARG A 156 -0.408 11.893 -15.410 1.00 0.00 N ATOM 330 NH2 ARG A 156 0.672 13.298 -16.867 1.00 0.00 N ATOM 0 H ARG A 156 -2.965 15.477 -9.660 1.00 0.00 H new ATOM 0 HA ARG A 156 -4.141 16.217 -12.231 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.592 15.933 -11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.910 14.226 -11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.913 15.880 -14.013 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -1.186 16.049 -13.767 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -1.456 13.329 -13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -2.755 13.684 -14.661 1.00 0.00 H new ATOM 0 HE ARG A 156 -0.647 15.082 -15.746 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -1.073 11.747 -14.650 1.00 0.00 H new ATOM 0 HH12 ARG A 156 0.091 11.099 -15.811 1.00 0.00 H new ATOM 0 HH21 ARG A 156 0.840 14.236 -17.231 1.00 0.00 H new ATOM 0 HH22 ARG A 156 1.168 12.500 -17.264 1.00 0.00 H new ATOM 344 N HIS A 157 -5.481 13.918 -10.995 1.00 0.00 N ATOM 345 CA HIS A 157 -6.309 12.721 -11.101 1.00 0.00 C ATOM 346 C HIS A 157 -7.784 13.034 -10.840 1.00 0.00 C ATOM 347 O HIS A 157 -8.587 12.127 -10.623 1.00 0.00 O ATOM 348 CB HIS A 157 -5.823 11.655 -10.118 1.00 0.00 C ATOM 349 CG HIS A 157 -4.712 10.806 -10.656 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.915 9.786 -11.563 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.380 10.830 -10.410 1.00 0.00 C ATOM 352 CE1 HIS A 157 -3.757 9.219 -11.851 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.810 9.835 -11.166 1.00 0.00 N ATOM 0 H HIS A 157 -5.738 14.545 -10.233 1.00 0.00 H new ATOM 0 HA HIS A 157 -6.218 12.344 -12.120 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.486 12.143 -9.203 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.661 11.013 -9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.863 11.505 -9.744 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -3.610 8.393 -12.531 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.816 9.608 -11.194 1.00 0.00 H new ATOM 361 N ARG A 158 -8.135 14.319 -10.864 1.00 0.00 N ATOM 362 CA ARG A 158 -9.514 14.741 -10.633 1.00 0.00 C ATOM 363 C ARG A 158 -10.092 14.086 -9.380 1.00 0.00 C ATOM 364 O ARG A 158 -11.156 13.466 -9.424 1.00 0.00 O ATOM 365 CB ARG A 158 -10.382 14.405 -11.847 1.00 0.00 C ATOM 366 CG ARG A 158 -9.977 15.149 -13.110 1.00 0.00 C ATOM 367 CD ARG A 158 -9.327 14.219 -14.123 1.00 0.00 C ATOM 368 NE ARG A 158 -10.250 13.184 -14.584 1.00 0.00 N ATOM 369 CZ ARG A 158 -9.963 12.313 -15.550 1.00 0.00 C ATOM 370 NH1 ARG A 158 -8.784 12.349 -16.157 1.00 0.00 N ATOM 371 NH2 ARG A 158 -10.860 11.404 -15.910 1.00 0.00 N ATOM 0 H ARG A 158 -7.484 15.084 -11.041 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.512 15.820 -10.482 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -10.330 13.333 -12.035 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -11.421 14.638 -11.616 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -10.855 15.616 -13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -9.284 15.951 -12.854 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -8.977 14.800 -14.977 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -8.450 13.750 -13.675 1.00 0.00 H new ATOM 0 HE ARG A 158 -11.167 13.125 -14.141 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -8.091 13.046 -15.885 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -8.570 11.679 -16.896 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -11.768 11.373 -15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -10.641 10.737 -16.650 1.00 0.00 H new ATOM 385 N VAL A 159 -9.384 14.229 -8.265 1.00 0.00 N ATOM 386 CA VAL A 159 -9.822 13.655 -6.998 1.00 0.00 C ATOM 387 C VAL A 159 -9.344 14.500 -5.822 1.00 0.00 C ATOM 388 O VAL A 159 -8.249 15.062 -5.855 1.00 0.00 O ATOM 389 CB VAL A 159 -9.309 12.210 -6.831 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.789 12.174 -6.856 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.844 11.595 -5.546 1.00 0.00 C ATOM 0 H VAL A 159 -8.502 14.739 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 159 -10.912 13.642 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.676 11.617 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.447 11.146 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.431 12.567 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.397 12.783 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.470 10.576 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.512 12.187 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -10.934 11.581 -5.576 1.00 0.00 H new ATOM 401 N CYS A 160 -10.170 14.588 -4.784 1.00 0.00 N ATOM 402 CA CYS A 160 -9.828 15.370 -3.601 1.00 0.00 C ATOM 403 C CYS A 160 -9.037 14.531 -2.600 1.00 0.00 C ATOM 404 O CYS A 160 -8.940 13.311 -2.735 1.00 0.00 O ATOM 405 CB CYS A 160 -11.094 15.932 -2.947 1.00 0.00 C ATOM 406 SG CYS A 160 -12.090 14.712 -2.056 1.00 0.00 S ATOM 0 H CYS A 160 -11.079 14.128 -4.738 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.199 16.203 -3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -10.808 16.723 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.712 16.392 -3.718 1.00 0.00 H new ATOM 0 HG CYS A 160 -12.214 13.640 -2.781 1.00 0.00 H new ATOM 411 N LEU A 161 -8.470 15.195 -1.598 1.00 0.00 N ATOM 412 CA LEU A 161 -7.682 14.517 -0.575 1.00 0.00 C ATOM 413 C LEU A 161 -8.534 13.528 0.214 1.00 0.00 C ATOM 414 O LEU A 161 -8.083 12.430 0.539 1.00 0.00 O ATOM 415 CB LEU A 161 -7.058 15.541 0.376 1.00 0.00 C ATOM 416 CG LEU A 161 -6.093 14.962 1.411 1.00 0.00 C ATOM 417 CD1 LEU A 161 -4.947 15.926 1.674 1.00 0.00 C ATOM 418 CD2 LEU A 161 -6.830 14.639 2.703 1.00 0.00 C ATOM 0 H LEU A 161 -8.542 16.205 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 161 -6.890 13.961 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.527 16.287 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -7.859 16.062 0.901 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.675 14.037 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.272 15.495 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.403 16.106 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.344 16.869 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -6.129 14.228 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.276 15.549 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.614 13.909 2.502 1.00 0.00 H new ATOM 430 N ARG A 162 -9.766 13.924 0.524 1.00 0.00 N ATOM 431 CA ARG A 162 -10.676 13.069 1.280 1.00 0.00 C ATOM 432 C ARG A 162 -10.862 11.718 0.595 1.00 0.00 C ATOM 433 O ARG A 162 -11.010 10.692 1.258 1.00 0.00 O ATOM 434 CB ARG A 162 -12.033 13.756 1.453 1.00 0.00 C ATOM 435 CG ARG A 162 -13.035 12.934 2.249 1.00 0.00 C ATOM 436 CD ARG A 162 -13.669 13.747 3.366 1.00 0.00 C ATOM 437 NE ARG A 162 -15.011 14.203 3.018 1.00 0.00 N ATOM 438 CZ ARG A 162 -15.918 14.592 3.911 1.00 0.00 C ATOM 439 NH1 ARG A 162 -15.630 14.587 5.206 1.00 0.00 N ATOM 440 NH2 ARG A 162 -17.117 14.992 3.508 1.00 0.00 N ATOM 0 H ARG A 162 -10.156 14.830 0.264 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.234 12.897 2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -11.885 14.714 1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.451 13.969 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -13.813 12.564 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -12.536 12.062 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -13.715 13.143 4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -13.040 14.609 3.589 1.00 0.00 H new ATOM 0 HE ARG A 162 -15.269 14.225 2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -14.709 14.284 5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -16.330 14.886 5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -17.344 15.001 2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -17.812 15.290 4.193 1.00 0.00 H new ATOM 454 N CYS A 163 -10.853 11.724 -0.734 1.00 0.00 N ATOM 455 CA CYS A 163 -11.021 10.497 -1.504 1.00 0.00 C ATOM 456 C CYS A 163 -9.710 9.720 -1.582 1.00 0.00 C ATOM 457 O CYS A 163 -9.711 8.491 -1.658 1.00 0.00 O ATOM 458 CB CYS A 163 -11.524 10.818 -2.913 1.00 0.00 C ATOM 459 SG CYS A 163 -13.308 11.088 -3.016 1.00 0.00 S ATOM 0 H CYS A 163 -10.731 12.564 -1.300 1.00 0.00 H new ATOM 0 HA CYS A 163 -11.760 9.877 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -11.011 11.709 -3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.252 9.999 -3.579 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.561 11.968 -3.938 1.00 0.00 H new ATOM 464 N ALA A 164 -8.596 10.443 -1.563 1.00 0.00 N ATOM 465 CA ALA A 164 -7.280 9.820 -1.632 1.00 0.00 C ATOM 466 C ALA A 164 -6.963 9.064 -0.346 1.00 0.00 C ATOM 467 O ALA A 164 -6.237 8.070 -0.360 1.00 0.00 O ATOM 468 CB ALA A 164 -6.214 10.869 -1.907 1.00 0.00 C ATOM 0 H ALA A 164 -8.578 11.461 -1.500 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.287 9.102 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.236 10.390 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.425 11.362 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.216 11.608 -1.106 1.00 0.00 H new ATOM 474 N THR A 165 -7.510 9.543 0.768 1.00 0.00 N ATOM 475 CA THR A 165 -7.285 8.913 2.063 1.00 0.00 C ATOM 476 C THR A 165 -8.455 8.016 2.453 1.00 0.00 C ATOM 477 O THR A 165 -8.287 7.047 3.193 1.00 0.00 O ATOM 478 CB THR A 165 -7.068 9.963 3.168 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.159 10.891 3.184 1.00 0.00 O ATOM 480 CG2 THR A 165 -5.762 10.714 2.953 1.00 0.00 C ATOM 0 H THR A 165 -8.112 10.366 0.799 1.00 0.00 H new ATOM 0 HA THR A 165 -6.385 8.306 1.965 1.00 0.00 H new ATOM 0 HB THR A 165 -7.018 9.444 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 165 -8.082 11.500 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 165 -5.631 11.450 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 165 -4.930 10.010 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 165 -5.788 11.221 1.988 1.00 0.00 H new ATOM 488 N ALA A 166 -9.642 8.347 1.952 1.00 0.00 N ATOM 489 CA ALA A 166 -10.841 7.571 2.250 1.00 0.00 C ATOM 490 C ALA A 166 -10.661 6.107 1.862 1.00 0.00 C ATOM 491 O ALA A 166 -10.004 5.794 0.869 1.00 0.00 O ATOM 492 CB ALA A 166 -12.044 8.164 1.531 1.00 0.00 C ATOM 0 H ALA A 166 -9.799 9.147 1.338 1.00 0.00 H new ATOM 0 HA ALA A 166 -11.013 7.615 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -12.932 7.576 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.194 9.192 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.869 8.149 0.455 1.00 0.00 H new ATOM 498 N SER A 167 -11.250 5.215 2.653 1.00 0.00 N ATOM 499 CA SER A 167 -11.155 3.783 2.392 1.00 0.00 C ATOM 500 C SER A 167 -11.854 3.420 1.087 1.00 0.00 C ATOM 501 O SER A 167 -11.413 2.529 0.361 1.00 0.00 O ATOM 502 CB SER A 167 -11.767 2.991 3.550 1.00 0.00 C ATOM 503 OG SER A 167 -12.848 3.695 4.134 1.00 0.00 O ATOM 0 H SER A 167 -11.797 5.458 3.479 1.00 0.00 H new ATOM 0 HA SER A 167 -10.100 3.525 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 167 -12.112 2.022 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.005 2.797 4.305 1.00 0.00 H new ATOM 0 HG SER A 167 -13.694 3.309 3.826 1.00 0.00 H new ATOM 509 N PHE A 168 -12.948 4.115 0.794 1.00 0.00 N ATOM 510 CA PHE A 168 -13.710 3.865 -0.424 1.00 0.00 C ATOM 511 C PHE A 168 -14.704 4.992 -0.687 1.00 0.00 C ATOM 512 O PHE A 168 -14.899 5.869 0.154 1.00 0.00 O ATOM 513 CB PHE A 168 -14.448 2.530 -0.323 1.00 0.00 C ATOM 514 CG PHE A 168 -15.475 2.492 0.772 1.00 0.00 C ATOM 515 CD1 PHE A 168 -15.095 2.611 2.100 1.00 0.00 C ATOM 516 CD2 PHE A 168 -16.820 2.337 0.474 1.00 0.00 C ATOM 517 CE1 PHE A 168 -16.039 2.577 3.109 1.00 0.00 C ATOM 518 CE2 PHE A 168 -17.767 2.303 1.480 1.00 0.00 C ATOM 519 CZ PHE A 168 -17.377 2.421 2.800 1.00 0.00 C ATOM 0 H PHE A 168 -13.327 4.856 1.384 1.00 0.00 H new ATOM 0 HA PHE A 168 -13.010 3.823 -1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.936 2.321 -1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.722 1.735 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -14.051 2.731 2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -17.131 2.242 -0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -15.731 2.672 4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -18.812 2.184 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 168 -18.115 2.391 3.588 1.00 0.00 H new ATOM 529 N VAL A 169 -15.328 4.961 -1.860 1.00 0.00 N ATOM 530 CA VAL A 169 -16.302 5.977 -2.235 1.00 0.00 C ATOM 531 C VAL A 169 -17.446 5.372 -3.041 1.00 0.00 C ATOM 532 O VAL A 169 -17.231 4.493 -3.877 1.00 0.00 O ATOM 533 CB VAL A 169 -15.651 7.105 -3.057 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.733 7.946 -2.183 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.892 6.530 -4.243 1.00 0.00 C ATOM 0 H VAL A 169 -15.176 4.242 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.695 6.394 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.440 7.753 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -14.283 8.737 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -15.309 8.390 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.947 7.315 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.438 7.341 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.112 5.858 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.581 5.978 -4.883 1.00 0.00 H new ATOM 545 N VAL A 170 -18.660 5.845 -2.786 1.00 0.00 N ATOM 546 CA VAL A 170 -19.836 5.350 -3.489 1.00 0.00 C ATOM 547 C VAL A 170 -19.960 5.988 -4.868 1.00 0.00 C ATOM 548 O VAL A 170 -20.835 6.821 -5.104 1.00 0.00 O ATOM 549 CB VAL A 170 -21.127 5.618 -2.691 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.321 4.961 -3.365 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.981 5.130 -1.258 1.00 0.00 C ATOM 0 H VAL A 170 -18.855 6.571 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.707 4.273 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.299 6.694 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -23.222 5.162 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.439 5.364 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -22.160 3.885 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.903 5.328 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.781 4.058 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -20.154 5.653 -0.778 1.00 0.00 H new ATOM 561 N LEU A 171 -19.074 5.594 -5.779 1.00 0.00 N ATOM 562 CA LEU A 171 -19.084 6.128 -7.136 1.00 0.00 C ATOM 563 C LEU A 171 -20.420 5.847 -7.820 1.00 0.00 C ATOM 564 O LEU A 171 -21.370 5.393 -7.180 1.00 0.00 O ATOM 565 CB LEU A 171 -17.939 5.525 -7.951 1.00 0.00 C ATOM 566 CG LEU A 171 -17.295 6.476 -8.965 1.00 0.00 C ATOM 567 CD1 LEU A 171 -15.941 6.955 -8.466 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.155 5.798 -10.321 1.00 0.00 C ATOM 0 H LEU A 171 -18.341 4.907 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 171 -18.948 7.208 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.169 5.175 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.313 4.650 -8.483 1.00 0.00 H new ATOM 0 HG LEU A 171 -17.945 7.344 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.500 7.629 -9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -16.067 7.481 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.283 6.098 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -16.696 6.489 -11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.529 4.911 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.140 5.507 -10.686 1.00 0.00 H new ATOM 580 N ASP A 172 -20.489 6.120 -9.120 1.00 0.00 N ATOM 581 CA ASP A 172 -21.711 5.896 -9.887 1.00 0.00 C ATOM 582 C ASP A 172 -22.175 4.447 -9.772 1.00 0.00 C ATOM 583 O ASP A 172 -21.811 3.601 -10.590 1.00 0.00 O ATOM 584 CB ASP A 172 -21.486 6.255 -11.358 1.00 0.00 C ATOM 585 CG ASP A 172 -22.785 6.539 -12.087 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.831 6.000 -11.672 1.00 0.00 O ATOM 587 OD2 ASP A 172 -22.754 7.301 -13.077 1.00 0.00 O ATOM 0 H ASP A 172 -19.713 6.497 -9.665 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.489 6.539 -9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -20.838 7.129 -11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -20.965 5.436 -11.854 1.00 0.00 H new ATOM 592 N GLY A 173 -22.980 4.168 -8.751 1.00 0.00 N ATOM 593 CA GLY A 173 -23.482 2.821 -8.546 1.00 0.00 C ATOM 594 C GLY A 173 -22.373 1.789 -8.449 1.00 0.00 C ATOM 595 O GLY A 173 -22.602 0.602 -8.676 1.00 0.00 O ATOM 0 H GLY A 173 -23.294 4.851 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.077 2.795 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.147 2.557 -9.368 1.00 0.00 H new ATOM 599 N GLU A 174 -21.169 2.243 -8.115 1.00 0.00 N ATOM 600 CA GLU A 174 -20.024 1.349 -7.993 1.00 0.00 C ATOM 601 C GLU A 174 -19.044 1.856 -6.939 1.00 0.00 C ATOM 602 O GLU A 174 -18.607 3.006 -6.984 1.00 0.00 O ATOM 603 CB GLU A 174 -19.312 1.213 -9.338 1.00 0.00 C ATOM 604 CG GLU A 174 -20.076 0.377 -10.351 1.00 0.00 C ATOM 605 CD GLU A 174 -19.985 -1.111 -10.067 1.00 0.00 C ATOM 606 OE1 GLU A 174 -20.693 -1.585 -9.155 1.00 0.00 O ATOM 607 OE2 GLU A 174 -19.205 -1.799 -10.759 1.00 0.00 O ATOM 0 H GLU A 174 -20.962 3.223 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.392 0.372 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.145 2.207 -9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.331 0.766 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -21.123 0.680 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -19.687 0.577 -11.349 1.00 0.00 H new ATOM 614 N ASN A 175 -18.700 0.988 -5.992 1.00 0.00 N ATOM 615 CA ASN A 175 -17.767 1.347 -4.930 1.00 0.00 C ATOM 616 C ASN A 175 -16.327 1.134 -5.383 1.00 0.00 C ATOM 617 O ASN A 175 -15.854 0.000 -5.473 1.00 0.00 O ATOM 618 CB ASN A 175 -18.048 0.518 -3.675 1.00 0.00 C ATOM 619 CG ASN A 175 -19.349 0.909 -3.003 1.00 0.00 C ATOM 620 OD1 ASN A 175 -20.022 1.848 -3.427 1.00 0.00 O ATOM 621 ND2 ASN A 175 -19.709 0.188 -1.947 1.00 0.00 N ATOM 0 H ASN A 175 -19.053 0.033 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.905 2.403 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -18.083 -0.538 -3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -17.226 0.642 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -20.575 0.404 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -19.120 -0.582 -1.630 1.00 0.00 H new ATOM 628 N LYS A 176 -15.634 2.231 -5.673 1.00 0.00 N ATOM 629 CA LYS A 176 -14.248 2.162 -6.122 1.00 0.00 C ATOM 630 C LYS A 176 -13.292 2.662 -5.044 1.00 0.00 C ATOM 631 O LYS A 176 -13.702 3.339 -4.100 1.00 0.00 O ATOM 632 CB LYS A 176 -14.063 2.985 -7.399 1.00 0.00 C ATOM 633 CG LYS A 176 -15.031 2.611 -8.509 1.00 0.00 C ATOM 634 CD LYS A 176 -14.467 2.955 -9.879 1.00 0.00 C ATOM 635 CE LYS A 176 -15.013 2.031 -10.957 1.00 0.00 C ATOM 636 NZ LYS A 176 -15.902 2.752 -11.909 1.00 0.00 N ATOM 0 H LYS A 176 -16.009 3.177 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.016 1.117 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.186 4.042 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.042 2.856 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -15.247 1.544 -8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -15.976 3.134 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -14.713 3.988 -10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -13.380 2.883 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -14.184 1.582 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -15.566 1.216 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -16.199 2.103 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -16.741 3.101 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -15.388 3.556 -12.323 1.00 0.00 H new ATOM 650 N ARG A 177 -12.015 2.323 -5.195 1.00 0.00 N ATOM 651 CA ARG A 177 -10.994 2.736 -4.239 1.00 0.00 C ATOM 652 C ARG A 177 -9.799 3.349 -4.961 1.00 0.00 C ATOM 653 O ARG A 177 -9.340 2.827 -5.977 1.00 0.00 O ATOM 654 CB ARG A 177 -10.540 1.541 -3.398 1.00 0.00 C ATOM 655 CG ARG A 177 -10.026 1.926 -2.021 1.00 0.00 C ATOM 656 CD ARG A 177 -8.526 2.173 -2.035 1.00 0.00 C ATOM 657 NE ARG A 177 -7.961 2.193 -0.687 1.00 0.00 N ATOM 658 CZ ARG A 177 -6.688 2.473 -0.421 1.00 0.00 C ATOM 659 NH1 ARG A 177 -5.843 2.761 -1.403 1.00 0.00 N ATOM 660 NH2 ARG A 177 -6.259 2.466 0.835 1.00 0.00 N ATOM 0 H ARG A 177 -11.663 1.763 -5.971 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.426 3.489 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.375 0.849 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.755 1.008 -3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -10.540 2.823 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -10.259 1.133 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -8.036 1.396 -2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -8.320 3.123 -2.529 1.00 0.00 H new ATOM 0 HE ARG A 177 -8.579 1.980 0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -6.168 2.769 -2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -4.868 2.975 -1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -6.905 2.246 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -5.283 2.680 1.042 1.00 0.00 H new ATOM 674 N TYR A 178 -9.301 4.463 -4.433 1.00 0.00 N ATOM 675 CA TYR A 178 -8.160 5.148 -5.031 1.00 0.00 C ATOM 676 C TYR A 178 -6.944 4.229 -5.108 1.00 0.00 C ATOM 677 O TYR A 178 -6.430 3.779 -4.083 1.00 0.00 O ATOM 678 CB TYR A 178 -7.815 6.405 -4.229 1.00 0.00 C ATOM 679 CG TYR A 178 -6.688 7.216 -4.830 1.00 0.00 C ATOM 680 CD1 TYR A 178 -5.362 6.916 -4.544 1.00 0.00 C ATOM 681 CD2 TYR A 178 -6.952 8.280 -5.684 1.00 0.00 C ATOM 682 CE1 TYR A 178 -4.330 7.656 -5.091 1.00 0.00 C ATOM 683 CE2 TYR A 178 -5.925 9.024 -6.233 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.617 8.708 -5.935 1.00 0.00 C ATOM 685 OH TYR A 178 -3.592 9.447 -6.482 1.00 0.00 O ATOM 0 H TYR A 178 -9.669 4.910 -3.593 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.436 5.435 -6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.703 7.033 -4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.542 6.115 -3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -5.134 6.092 -3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -7.975 8.529 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -3.304 7.411 -4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -6.146 9.850 -6.893 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.068 9.861 -5.765 1.00 0.00 H new ATOM 695 N CYS A 179 -6.490 3.957 -6.326 1.00 0.00 N ATOM 696 CA CYS A 179 -5.334 3.093 -6.538 1.00 0.00 C ATOM 697 C CYS A 179 -4.038 3.891 -6.438 1.00 0.00 C ATOM 698 O CYS A 179 -3.762 4.751 -7.272 1.00 0.00 O ATOM 699 CB CYS A 179 -5.425 2.413 -7.905 1.00 0.00 C ATOM 700 SG CYS A 179 -4.122 1.196 -8.214 1.00 0.00 S ATOM 0 H CYS A 179 -6.905 4.323 -7.183 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.331 2.329 -5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.394 1.921 -7.990 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.386 3.177 -8.682 1.00 0.00 H new ATOM 0 HG CYS A 179 -3.695 1.319 -9.436 1.00 0.00 H new ATOM 705 N GLN A 180 -3.248 3.605 -5.410 1.00 0.00 N ATOM 706 CA GLN A 180 -1.982 4.303 -5.201 1.00 0.00 C ATOM 707 C GLN A 180 -0.931 3.888 -6.232 1.00 0.00 C ATOM 708 O GLN A 180 0.148 4.477 -6.295 1.00 0.00 O ATOM 709 CB GLN A 180 -1.458 4.034 -3.790 1.00 0.00 C ATOM 710 CG GLN A 180 -1.956 5.031 -2.757 1.00 0.00 C ATOM 711 CD GLN A 180 -1.033 5.141 -1.560 1.00 0.00 C ATOM 712 OE1 GLN A 180 0.038 5.744 -1.639 1.00 0.00 O ATOM 713 NE2 GLN A 180 -1.442 4.552 -0.441 1.00 0.00 N ATOM 0 H GLN A 180 -3.460 2.896 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.170 5.370 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.754 3.030 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.368 4.053 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -2.058 6.011 -3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -2.949 4.733 -2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -2.337 4.063 -0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -0.861 4.589 0.397 1.00 0.00 H new ATOM 722 N GLN A 181 -1.242 2.871 -7.033 1.00 0.00 N ATOM 723 CA GLN A 181 -0.311 2.390 -8.048 1.00 0.00 C ATOM 724 C GLN A 181 -0.583 3.030 -9.406 1.00 0.00 C ATOM 725 O GLN A 181 0.317 3.135 -10.241 1.00 0.00 O ATOM 726 CB GLN A 181 -0.397 0.868 -8.163 1.00 0.00 C ATOM 727 CG GLN A 181 0.597 0.275 -9.150 1.00 0.00 C ATOM 728 CD GLN A 181 1.168 -1.048 -8.677 1.00 0.00 C ATOM 729 OE1 GLN A 181 1.317 -1.280 -7.479 1.00 0.00 O ATOM 730 NE2 GLN A 181 1.490 -1.925 -9.622 1.00 0.00 N ATOM 0 H GLN A 181 -2.128 2.367 -6.998 1.00 0.00 H new ATOM 0 HA GLN A 181 0.695 2.674 -7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -0.227 0.428 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -1.407 0.591 -8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 181 0.106 0.132 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 181 1.411 0.982 -9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 181 1.349 -1.690 -10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 181 1.878 -2.833 -9.365 1.00 0.00 H new ATOM 739 N CYS A 182 -1.825 3.452 -9.630 1.00 0.00 N ATOM 740 CA CYS A 182 -2.201 4.073 -10.899 1.00 0.00 C ATOM 741 C CYS A 182 -2.717 5.495 -10.697 1.00 0.00 C ATOM 742 O CYS A 182 -2.634 6.328 -11.598 1.00 0.00 O ATOM 743 CB CYS A 182 -3.267 3.232 -11.603 1.00 0.00 C ATOM 744 SG CYS A 182 -2.774 1.521 -11.917 1.00 0.00 S ATOM 0 H CYS A 182 -2.585 3.376 -8.954 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.307 4.122 -11.520 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -4.173 3.232 -10.996 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.519 3.706 -12.552 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.801 0.739 -11.765 1.00 0.00 H new ATOM 749 N GLY A 183 -3.256 5.766 -9.514 1.00 0.00 N ATOM 750 CA GLY A 183 -3.781 7.087 -9.224 1.00 0.00 C ATOM 751 C GLY A 183 -5.273 7.183 -9.480 1.00 0.00 C ATOM 752 O GLY A 183 -6.003 7.806 -8.709 1.00 0.00 O ATOM 0 H GLY A 183 -3.339 5.095 -8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -3.577 7.336 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.262 7.824 -9.836 1.00 0.00 H new ATOM 756 N LYS A 184 -5.725 6.562 -10.565 1.00 0.00 N ATOM 757 CA LYS A 184 -7.138 6.578 -10.922 1.00 0.00 C ATOM 758 C LYS A 184 -7.963 5.770 -9.923 1.00 0.00 C ATOM 759 O LYS A 184 -7.477 5.408 -8.851 1.00 0.00 O ATOM 760 CB LYS A 184 -7.336 6.019 -12.334 1.00 0.00 C ATOM 761 CG LYS A 184 -6.329 6.545 -13.343 1.00 0.00 C ATOM 762 CD LYS A 184 -6.980 6.825 -14.689 1.00 0.00 C ATOM 763 CE LYS A 184 -5.985 6.690 -15.830 1.00 0.00 C ATOM 764 NZ LYS A 184 -6.256 5.487 -16.664 1.00 0.00 N ATOM 0 H LYS A 184 -5.133 6.042 -11.212 1.00 0.00 H new ATOM 0 HA LYS A 184 -7.481 7.612 -10.896 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -7.268 4.932 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -8.342 6.264 -12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.874 7.459 -12.961 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -5.527 5.818 -13.470 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -7.808 6.134 -14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -7.400 7.831 -14.689 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -6.027 7.582 -16.455 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -4.975 6.631 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -5.556 5.431 -17.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -6.191 4.633 -16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -7.211 5.555 -17.071 1.00 0.00 H new ATOM 778 N PHE A 185 -9.213 5.492 -10.282 1.00 0.00 N ATOM 779 CA PHE A 185 -10.106 4.729 -9.418 1.00 0.00 C ATOM 780 C PHE A 185 -10.226 3.285 -9.896 1.00 0.00 C ATOM 781 O PHE A 185 -10.116 3.006 -11.089 1.00 0.00 O ATOM 782 CB PHE A 185 -11.489 5.380 -9.377 1.00 0.00 C ATOM 783 CG PHE A 185 -11.552 6.611 -8.517 1.00 0.00 C ATOM 784 CD1 PHE A 185 -11.150 6.567 -7.192 1.00 0.00 C ATOM 785 CD2 PHE A 185 -12.013 7.810 -9.035 1.00 0.00 C ATOM 786 CE1 PHE A 185 -11.207 7.696 -6.399 1.00 0.00 C ATOM 787 CE2 PHE A 185 -12.073 8.943 -8.246 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.669 8.886 -6.926 1.00 0.00 C ATOM 0 H PHE A 185 -9.630 5.784 -11.166 1.00 0.00 H new ATOM 0 HA PHE A 185 -9.682 4.726 -8.414 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -11.788 5.641 -10.392 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.212 4.653 -9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.788 5.639 -6.775 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.329 7.860 -10.067 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.891 7.648 -5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.435 9.872 -8.661 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.714 9.770 -6.308 1.00 0.00 H new ATOM 798 N HIS A 186 -10.455 2.372 -8.957 1.00 0.00 N ATOM 799 CA HIS A 186 -10.593 0.956 -9.283 1.00 0.00 C ATOM 800 C HIS A 186 -11.725 0.320 -8.483 1.00 0.00 C ATOM 801 O HIS A 186 -12.073 0.791 -7.400 1.00 0.00 O ATOM 802 CB HIS A 186 -9.282 0.217 -9.010 1.00 0.00 C ATOM 803 CG HIS A 186 -8.214 0.497 -10.022 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.483 1.005 -11.277 1.00 0.00 N ATOM 805 CD2 HIS A 186 -6.871 0.338 -9.962 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.351 1.149 -11.943 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.359 0.753 -11.168 1.00 0.00 N ATOM 0 H HIS A 186 -10.549 2.587 -7.964 1.00 0.00 H new ATOM 0 HA HIS A 186 -10.833 0.876 -10.343 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -8.916 0.496 -8.022 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.477 -0.855 -8.987 1.00 0.00 H new ATOM 0 HD1 HIS A 186 -9.411 1.233 -11.634 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.307 -0.044 -9.123 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -7.254 1.527 -12.950 1.00 0.00 H new ATOM 815 N LEU A 187 -12.295 -0.751 -9.024 1.00 0.00 N ATOM 816 CA LEU A 187 -13.389 -1.453 -8.361 1.00 0.00 C ATOM 817 C LEU A 187 -12.903 -2.139 -7.087 1.00 0.00 C ATOM 818 O LEU A 187 -11.794 -2.672 -7.040 1.00 0.00 O ATOM 819 CB LEU A 187 -14.010 -2.483 -9.309 1.00 0.00 C ATOM 820 CG LEU A 187 -15.534 -2.428 -9.416 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.966 -1.296 -10.336 1.00 0.00 C ATOM 822 CD2 LEU A 187 -16.083 -3.761 -9.906 1.00 0.00 C ATOM 0 H LEU A 187 -12.018 -1.152 -9.920 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.147 -0.719 -8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.586 -2.341 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -13.720 -3.480 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 187 -15.942 -2.234 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -17.054 -1.273 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -15.606 -0.347 -9.939 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.548 -1.455 -11.330 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -17.169 -3.703 -9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -15.667 -3.987 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -15.806 -4.548 -9.205 1.00 0.00 H new ATOM 834 N LEU A 188 -13.741 -2.120 -6.055 1.00 0.00 N ATOM 835 CA LEU A 188 -13.400 -2.738 -4.780 1.00 0.00 C ATOM 836 C LEU A 188 -13.332 -4.268 -4.881 1.00 0.00 C ATOM 837 O LEU A 188 -12.457 -4.886 -4.277 1.00 0.00 O ATOM 838 CB LEU A 188 -14.401 -2.323 -3.697 1.00 0.00 C ATOM 839 CG LEU A 188 -13.788 -1.596 -2.499 1.00 0.00 C ATOM 840 CD1 LEU A 188 -13.844 -0.090 -2.702 1.00 0.00 C ATOM 841 CD2 LEU A 188 -14.503 -1.989 -1.214 1.00 0.00 C ATOM 0 H LEU A 188 -14.662 -1.682 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.407 -2.382 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.155 -1.678 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -14.916 -3.214 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 188 -12.742 -1.892 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -13.403 0.410 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -13.287 0.177 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -14.882 0.224 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -14.054 -1.462 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -15.557 -1.722 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -14.411 -3.064 -1.060 1.00 0.00 H new ATOM 853 N PRO A 189 -14.249 -4.914 -5.638 1.00 0.00 N ATOM 854 CA PRO A 189 -14.246 -6.376 -5.775 1.00 0.00 C ATOM 855 C PRO A 189 -13.060 -6.888 -6.586 1.00 0.00 C ATOM 856 O PRO A 189 -12.811 -8.092 -6.643 1.00 0.00 O ATOM 857 CB PRO A 189 -15.559 -6.674 -6.499 1.00 0.00 C ATOM 858 CG PRO A 189 -15.870 -5.426 -7.248 1.00 0.00 C ATOM 859 CD PRO A 189 -15.350 -4.293 -6.408 1.00 0.00 C ATOM 0 HA PRO A 189 -14.158 -6.869 -4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.455 -7.525 -7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.353 -6.921 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.396 -5.433 -8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -16.943 -5.328 -7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -14.994 -3.467 -7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.123 -3.892 -5.752 1.00 0.00 H new ATOM 867 N ASP A 190 -12.326 -5.971 -7.214 1.00 0.00 N ATOM 868 CA ASP A 190 -11.168 -6.342 -8.018 1.00 0.00 C ATOM 869 C ASP A 190 -9.875 -6.178 -7.220 1.00 0.00 C ATOM 870 O ASP A 190 -8.805 -5.973 -7.793 1.00 0.00 O ATOM 871 CB ASP A 190 -11.109 -5.491 -9.287 1.00 0.00 C ATOM 872 CG ASP A 190 -10.692 -6.295 -10.504 1.00 0.00 C ATOM 873 OD1 ASP A 190 -11.326 -7.337 -10.772 1.00 0.00 O ATOM 874 OD2 ASP A 190 -9.732 -5.881 -11.187 1.00 0.00 O ATOM 0 H ASP A 190 -12.514 -4.969 -7.180 1.00 0.00 H new ATOM 0 HA ASP A 190 -11.271 -7.391 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -12.087 -5.045 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -10.407 -4.671 -9.139 1.00 0.00 H new