USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 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 224 ASN : amide:sc= -1.57! C(o=-1.7!,f=-2.5!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.164 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -3.54! C(o=-2.8!,f=-2.2!) USER MOD Set 2.2: A 197 TYR OH : rot 66:sc= 0.729 USER MOD Set 3.1: A 182 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.16) USER MOD Set 3.2: A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -4.24! C(o=-4.2!,f=-3.7!) USER MOD Single : A 189 SER OG : rot -41:sc= -0.0693 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.13) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -1.8 K(o=-1.8,f=-14!) USER MOD Single : A 200 LYS NZ :NH3+ -165:sc= -0.0245 (180deg=-0.287) USER MOD Single : A 206 THR OG1 : rot -46:sc= 0.1 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -5.13! C(o=-5.1!,f=-12!) USER MOD Single : A 212 TYR OH : rot 78:sc= 1.06 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 161:sc= -0.0343 (180deg=-0.332) USER MOD Single : A 223 GLN : amide:sc= -12.2! C(o=-12!,f=-2.1!) USER MOD Single : A 226 LYS NZ :NH3+ -154:sc= -0.079 (180deg=-0.504) USER MOD Single : A 229 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 230 LYS NZ :NH3+ 156:sc= -0.034 (180deg=-0.413) USER MOD Single : A 231 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.072) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -31:sc= -0.455 USER MOD Single : A 241 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.015) USER MOD Single : A 242 TYR OH : rot 179:sc= 0.0592 USER MOD Single : A 243 GLN : amide:sc= 0.0211 X(o=0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.283 -13.426 -10.710 1.00 0.00 N ATOM 2 CA ARG A 175 3.752 -12.556 -11.801 1.00 0.00 C ATOM 3 C ARG A 175 3.909 -11.084 -11.419 1.00 0.00 C ATOM 4 O ARG A 175 4.999 -10.608 -11.163 1.00 0.00 O ATOM 5 CB ARG A 175 2.269 -12.868 -12.051 1.00 0.00 C ATOM 6 CG ARG A 175 1.487 -12.881 -10.723 1.00 0.00 C ATOM 7 CD ARG A 175 -0.010 -12.685 -10.999 1.00 0.00 C ATOM 8 NE ARG A 175 -0.516 -13.790 -11.867 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.797 -13.981 -11.999 1.00 0.00 C ATOM 10 NH1 ARG A 175 -2.645 -13.225 -11.355 1.00 0.00 N ATOM 11 NH2 ARG A 175 -2.234 -14.936 -12.770 1.00 0.00 N ATOM 0 HA ARG A 175 4.317 -12.753 -12.712 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.843 -12.123 -12.723 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.173 -13.835 -12.545 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.650 -13.825 -10.204 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.852 -12.090 -10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.562 -12.667 -10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -0.176 -11.724 -11.485 1.00 0.00 H new ATOM 0 HE ARG A 175 0.143 -14.396 -12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.305 -12.481 -10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.648 -13.378 -11.461 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -1.573 -15.532 -13.268 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.237 -15.088 -12.875 1.00 0.00 H new ATOM 25 N ALA A 176 2.826 -10.360 -11.384 1.00 0.00 N ATOM 26 CA ALA A 176 2.897 -8.923 -11.022 1.00 0.00 C ATOM 27 C ALA A 176 2.912 -8.787 -9.498 1.00 0.00 C ATOM 28 O ALA A 176 2.840 -7.700 -8.959 1.00 0.00 O ATOM 29 CB ALA A 176 1.673 -8.206 -11.583 1.00 0.00 C ATOM 0 H ALA A 176 1.890 -10.707 -11.592 1.00 0.00 H new ATOM 0 HA ALA A 176 3.803 -8.481 -11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.718 -7.149 -11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.656 -8.310 -12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.769 -8.646 -11.162 1.00 0.00 H new ATOM 35 N ARG A 177 2.999 -9.891 -8.801 1.00 0.00 N ATOM 36 CA ARG A 177 3.016 -9.842 -7.307 1.00 0.00 C ATOM 37 C ARG A 177 4.316 -9.207 -6.826 1.00 0.00 C ATOM 38 O ARG A 177 4.400 -8.717 -5.720 1.00 0.00 O ATOM 39 CB ARG A 177 2.895 -11.257 -6.735 1.00 0.00 C ATOM 40 CG ARG A 177 2.683 -11.178 -5.218 1.00 0.00 C ATOM 41 CD ARG A 177 2.182 -12.525 -4.704 1.00 0.00 C ATOM 42 NE ARG A 177 3.201 -13.573 -4.993 1.00 0.00 N ATOM 43 CZ ARG A 177 3.134 -14.724 -4.390 1.00 0.00 C ATOM 44 NH1 ARG A 177 2.153 -14.949 -3.559 1.00 0.00 N ATOM 45 NH2 ARG A 177 4.037 -15.638 -4.631 1.00 0.00 N ATOM 0 H ARG A 177 3.059 -10.827 -9.203 1.00 0.00 H new ATOM 0 HA ARG A 177 2.172 -9.244 -6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 177 2.061 -11.780 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.795 -11.829 -6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.617 -10.912 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.962 -10.395 -4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 177 1.994 -12.471 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.236 -12.780 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 177 3.949 -13.389 -5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 177 1.452 -14.227 -3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 177 2.087 -15.846 -3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 177 4.792 -15.448 -5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 177 3.987 -16.541 -4.160 1.00 0.00 H new ATOM 59 N ALA A 178 5.331 -9.184 -7.645 1.00 0.00 N ATOM 60 CA ALA A 178 6.594 -8.547 -7.200 1.00 0.00 C ATOM 61 C ALA A 178 6.291 -7.091 -6.923 1.00 0.00 C ATOM 62 O ALA A 178 6.681 -6.543 -5.913 1.00 0.00 O ATOM 63 CB ALA A 178 7.645 -8.647 -8.307 1.00 0.00 C ATOM 0 H ALA A 178 5.339 -9.573 -8.588 1.00 0.00 H new ATOM 0 HA ALA A 178 6.981 -9.042 -6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.570 -8.177 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.833 -9.696 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.282 -8.139 -9.201 1.00 0.00 H new ATOM 69 N ASP A 179 5.557 -6.472 -7.798 1.00 0.00 N ATOM 70 CA ASP A 179 5.181 -5.055 -7.580 1.00 0.00 C ATOM 71 C ASP A 179 4.335 -4.980 -6.312 1.00 0.00 C ATOM 72 O ASP A 179 4.470 -4.098 -5.497 1.00 0.00 O ATOM 73 CB ASP A 179 4.345 -4.565 -8.763 1.00 0.00 C ATOM 74 CG ASP A 179 5.231 -4.443 -10.003 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.440 -4.374 -9.842 1.00 0.00 O ATOM 76 OD2 ASP A 179 4.687 -4.416 -11.095 1.00 0.00 O ATOM 0 H ASP A 179 5.200 -6.889 -8.658 1.00 0.00 H new ATOM 0 HA ASP A 179 6.074 -4.437 -7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.527 -5.259 -8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 179 3.896 -3.600 -8.529 1.00 0.00 H new ATOM 81 N LYS A 180 3.445 -5.917 -6.156 1.00 0.00 N ATOM 82 CA LYS A 180 2.563 -5.907 -4.961 1.00 0.00 C ATOM 83 C LYS A 180 3.390 -5.818 -3.682 1.00 0.00 C ATOM 84 O LYS A 180 3.238 -4.889 -2.925 1.00 0.00 O ATOM 85 CB LYS A 180 1.707 -7.178 -4.934 1.00 0.00 C ATOM 86 CG LYS A 180 0.784 -7.147 -3.711 1.00 0.00 C ATOM 87 CD LYS A 180 -0.290 -8.230 -3.872 1.00 0.00 C ATOM 88 CE LYS A 180 -1.298 -8.180 -2.720 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.353 -9.191 -2.983 1.00 0.00 N ATOM 0 H LYS A 180 3.291 -6.689 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 180 1.914 -5.033 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.116 -7.251 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.347 -8.060 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.359 -7.318 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.319 -6.166 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.810 -8.094 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.181 -9.212 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -0.802 -8.386 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.736 -7.185 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.050 -9.174 -2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.827 -8.972 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -1.922 -10.136 -3.040 1.00 0.00 H new ATOM 103 N GLN A 181 4.265 -6.754 -3.432 1.00 0.00 N ATOM 104 CA GLN A 181 5.077 -6.676 -2.184 1.00 0.00 C ATOM 105 C GLN A 181 5.932 -5.415 -2.197 1.00 0.00 C ATOM 106 O GLN A 181 6.054 -4.715 -1.212 1.00 0.00 O ATOM 107 CB GLN A 181 5.977 -7.910 -2.082 1.00 0.00 C ATOM 108 CG GLN A 181 6.675 -7.942 -0.713 1.00 0.00 C ATOM 109 CD GLN A 181 7.856 -6.979 -0.715 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.858 -7.225 -1.359 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.771 -5.878 -0.022 1.00 0.00 N ATOM 0 H GLN A 181 4.452 -7.560 -4.029 1.00 0.00 H new ATOM 0 HA GLN A 181 4.409 -6.642 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.384 -8.815 -2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.721 -7.894 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.970 -7.667 0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.018 -8.953 -0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.928 -5.678 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.548 -5.217 -0.018 1.00 0.00 H new ATOM 120 N HIS A 182 6.532 -5.119 -3.303 1.00 0.00 N ATOM 121 CA HIS A 182 7.392 -3.921 -3.387 1.00 0.00 C ATOM 122 C HIS A 182 6.552 -2.656 -3.240 1.00 0.00 C ATOM 123 O HIS A 182 6.967 -1.679 -2.637 1.00 0.00 O ATOM 124 CB HIS A 182 8.080 -3.946 -4.741 1.00 0.00 C ATOM 125 CG HIS A 182 9.024 -2.790 -4.857 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.839 -2.377 -3.813 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.295 -1.954 -5.903 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.560 -1.327 -4.258 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.266 -1.029 -5.527 1.00 0.00 N ATOM 0 H HIS A 182 6.463 -5.662 -4.164 1.00 0.00 H new ATOM 0 HA HIS A 182 8.130 -3.923 -2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.623 -4.883 -4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.337 -3.900 -5.537 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.827 -2.003 -6.875 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.285 -0.793 -3.662 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.667 -0.284 -6.098 1.00 0.00 H new ATOM 137 N VAL A 183 5.374 -2.666 -3.790 1.00 0.00 N ATOM 138 CA VAL A 183 4.499 -1.476 -3.704 1.00 0.00 C ATOM 139 C VAL A 183 4.041 -1.272 -2.259 1.00 0.00 C ATOM 140 O VAL A 183 3.901 -0.153 -1.799 1.00 0.00 O ATOM 141 CB VAL A 183 3.306 -1.674 -4.646 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.261 -0.588 -4.394 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.787 -1.595 -6.111 1.00 0.00 C ATOM 0 H VAL A 183 4.979 -3.456 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 183 5.043 -0.582 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 183 2.861 -2.651 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.415 -0.734 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.918 -0.646 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.703 0.392 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.939 -1.736 -6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.236 -0.619 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.527 -2.375 -6.294 1.00 0.00 H new ATOM 153 N LEU A 184 3.822 -2.327 -1.525 1.00 0.00 N ATOM 154 CA LEU A 184 3.407 -2.147 -0.117 1.00 0.00 C ATOM 155 C LEU A 184 4.501 -1.373 0.612 1.00 0.00 C ATOM 156 O LEU A 184 4.232 -0.507 1.417 1.00 0.00 O ATOM 157 CB LEU A 184 3.224 -3.506 0.550 1.00 0.00 C ATOM 158 CG LEU A 184 1.984 -4.219 0.011 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.935 -5.617 0.632 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.706 -3.436 0.371 1.00 0.00 C ATOM 0 H LEU A 184 3.912 -3.293 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 184 2.463 -1.603 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.106 -4.122 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.133 -3.376 1.628 1.00 0.00 H new ATOM 0 HG LEU A 184 2.039 -4.286 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.058 -6.148 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.835 -6.168 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.878 -5.531 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.165 -3.961 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.622 -3.355 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.756 -2.438 -0.065 1.00 0.00 H new ATOM 172 N ASP A 185 5.742 -1.674 0.333 1.00 0.00 N ATOM 173 CA ASP A 185 6.834 -0.943 1.018 1.00 0.00 C ATOM 174 C ASP A 185 6.635 0.554 0.784 1.00 0.00 C ATOM 175 O ASP A 185 6.816 1.359 1.675 1.00 0.00 O ATOM 176 CB ASP A 185 8.183 -1.374 0.450 1.00 0.00 C ATOM 177 CG ASP A 185 8.503 -2.803 0.886 1.00 0.00 C ATOM 178 OD1 ASP A 185 8.027 -3.203 1.937 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.226 -3.470 0.168 1.00 0.00 O ATOM 0 H ASP A 185 6.039 -2.387 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 185 6.816 -1.163 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.165 -1.313 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.965 -0.697 0.794 1.00 0.00 H new ATOM 184 N MET A 186 6.263 0.942 -0.410 1.00 0.00 N ATOM 185 CA MET A 186 6.064 2.393 -0.679 1.00 0.00 C ATOM 186 C MET A 186 4.922 2.927 0.195 1.00 0.00 C ATOM 187 O MET A 186 4.985 4.024 0.718 1.00 0.00 O ATOM 188 CB MET A 186 5.723 2.585 -2.155 1.00 0.00 C ATOM 189 CG MET A 186 6.896 2.105 -3.012 1.00 0.00 C ATOM 190 SD MET A 186 8.321 3.189 -2.742 1.00 0.00 S ATOM 191 CE MET A 186 9.546 2.148 -3.568 1.00 0.00 C ATOM 0 H MET A 186 6.091 0.322 -1.201 1.00 0.00 H new ATOM 0 HA MET A 186 6.976 2.941 -0.443 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.821 2.027 -2.407 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.515 3.636 -2.358 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.153 1.078 -2.754 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.617 2.109 -4.066 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.523 2.630 -3.523 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.596 1.180 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.259 2.006 -4.610 1.00 0.00 H new ATOM 201 N LEU A 187 3.877 2.159 0.356 1.00 0.00 N ATOM 202 CA LEU A 187 2.734 2.623 1.193 1.00 0.00 C ATOM 203 C LEU A 187 3.208 2.862 2.623 1.00 0.00 C ATOM 204 O LEU A 187 2.907 3.876 3.215 1.00 0.00 O ATOM 205 CB LEU A 187 1.642 1.556 1.221 1.00 0.00 C ATOM 206 CG LEU A 187 1.183 1.218 -0.198 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.028 0.214 -0.108 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.715 2.491 -0.918 1.00 0.00 C ATOM 0 H LEU A 187 3.766 1.232 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 187 2.342 3.546 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.016 0.658 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.795 1.910 1.808 1.00 0.00 H new ATOM 0 HG LEU A 187 2.010 0.787 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.313 -0.039 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.370 -0.689 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.795 0.656 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.390 2.239 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.116 2.935 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.538 3.204 -0.969 1.00 0.00 H new ATOM 220 N PHE A 188 3.947 1.950 3.190 1.00 0.00 N ATOM 221 CA PHE A 188 4.417 2.169 4.585 1.00 0.00 C ATOM 222 C PHE A 188 5.253 3.443 4.629 1.00 0.00 C ATOM 223 O PHE A 188 5.106 4.254 5.515 1.00 0.00 O ATOM 224 CB PHE A 188 5.247 0.972 5.059 1.00 0.00 C ATOM 225 CG PHE A 188 4.328 -0.163 5.452 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.689 -0.135 6.696 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.117 -1.238 4.578 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.839 -1.185 7.073 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.270 -2.288 4.957 1.00 0.00 C ATOM 230 CZ PHE A 188 2.630 -2.262 6.205 1.00 0.00 C ATOM 0 H PHE A 188 4.242 1.075 2.756 1.00 0.00 H new ATOM 0 HA PHE A 188 3.559 2.272 5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.922 0.648 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.867 1.261 5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.850 0.696 7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.606 -1.257 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.346 -1.162 8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.110 -3.119 4.287 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.977 -3.072 6.495 1.00 0.00 H new ATOM 240 N SER A 189 6.110 3.653 3.671 1.00 0.00 N ATOM 241 CA SER A 189 6.907 4.906 3.690 1.00 0.00 C ATOM 242 C SER A 189 5.936 6.065 3.600 1.00 0.00 C ATOM 243 O SER A 189 6.035 7.046 4.311 1.00 0.00 O ATOM 244 CB SER A 189 7.841 4.949 2.488 1.00 0.00 C ATOM 245 OG SER A 189 7.071 4.961 1.287 1.00 0.00 O ATOM 0 H SER A 189 6.291 3.023 2.889 1.00 0.00 H new ATOM 0 HA SER A 189 7.504 4.959 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.473 5.836 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.505 4.084 2.499 1.00 0.00 H new ATOM 0 HG SER A 189 6.317 4.342 1.376 1.00 0.00 H new ATOM 251 N ALA A 190 4.985 5.945 2.730 1.00 0.00 N ATOM 252 CA ALA A 190 3.984 7.022 2.579 1.00 0.00 C ATOM 253 C ALA A 190 3.175 7.144 3.874 1.00 0.00 C ATOM 254 O ALA A 190 3.056 8.211 4.438 1.00 0.00 O ATOM 255 CB ALA A 190 3.065 6.676 1.405 1.00 0.00 C ATOM 0 H ALA A 190 4.857 5.143 2.113 1.00 0.00 H new ATOM 0 HA ALA A 190 4.475 7.975 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.321 7.463 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.656 6.590 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.563 5.729 1.603 1.00 0.00 H new ATOM 261 N PHE A 191 2.631 6.051 4.360 1.00 0.00 N ATOM 262 CA PHE A 191 1.829 6.107 5.618 1.00 0.00 C ATOM 263 C PHE A 191 2.724 6.472 6.802 1.00 0.00 C ATOM 264 O PHE A 191 2.254 6.956 7.813 1.00 0.00 O ATOM 265 CB PHE A 191 1.138 4.758 5.862 1.00 0.00 C ATOM 266 CG PHE A 191 -0.090 4.678 4.982 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.185 5.509 5.243 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.131 3.789 3.906 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.320 5.451 4.430 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.268 3.730 3.082 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.365 4.561 3.348 1.00 0.00 C ATOM 0 H PHE A 191 2.710 5.126 3.938 1.00 0.00 H new ATOM 0 HA PHE A 191 1.064 6.877 5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.819 3.938 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.859 4.660 6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.153 6.197 6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.713 3.145 3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.164 6.093 4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.296 3.046 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.243 4.516 2.721 1.00 0.00 H new ATOM 281 N GLU A 192 4.001 6.265 6.692 1.00 0.00 N ATOM 282 CA GLU A 192 4.897 6.633 7.824 1.00 0.00 C ATOM 283 C GLU A 192 4.955 8.162 7.953 1.00 0.00 C ATOM 284 O GLU A 192 5.157 8.695 9.023 1.00 0.00 O ATOM 285 CB GLU A 192 6.301 6.073 7.569 1.00 0.00 C ATOM 286 CG GLU A 192 6.377 4.606 8.025 1.00 0.00 C ATOM 287 CD GLU A 192 7.550 3.909 7.325 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.671 4.097 7.768 1.00 0.00 O ATOM 289 OE2 GLU A 192 7.309 3.201 6.360 1.00 0.00 O ATOM 0 H GLU A 192 4.463 5.861 5.877 1.00 0.00 H new ATOM 0 HA GLU A 192 4.509 6.211 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.542 6.145 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 192 7.041 6.667 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 192 6.505 4.557 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 192 5.444 4.093 7.791 1.00 0.00 H new ATOM 296 N LYS A 193 4.792 8.875 6.869 1.00 0.00 N ATOM 297 CA LYS A 193 4.850 10.369 6.947 1.00 0.00 C ATOM 298 C LYS A 193 3.460 10.935 7.281 1.00 0.00 C ATOM 299 O LYS A 193 3.332 12.040 7.770 1.00 0.00 O ATOM 300 CB LYS A 193 5.307 10.916 5.599 1.00 0.00 C ATOM 301 CG LYS A 193 6.748 10.489 5.345 1.00 0.00 C ATOM 302 CD LYS A 193 7.218 11.122 4.044 1.00 0.00 C ATOM 303 CE LYS A 193 8.629 10.649 3.720 1.00 0.00 C ATOM 304 NZ LYS A 193 9.085 11.311 2.469 1.00 0.00 N ATOM 0 H LYS A 193 4.622 8.493 5.939 1.00 0.00 H new ATOM 0 HA LYS A 193 5.550 10.664 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.660 10.544 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.231 12.003 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.387 10.802 6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.816 9.403 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.540 10.855 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.200 12.208 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.305 10.889 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.645 9.566 3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.049 10.994 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.443 11.060 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 9.083 12.343 2.601 1.00 0.00 H new ATOM 318 N HIS A 194 2.419 10.184 7.033 1.00 0.00 N ATOM 319 CA HIS A 194 1.048 10.687 7.357 1.00 0.00 C ATOM 320 C HIS A 194 0.055 9.522 7.507 1.00 0.00 C ATOM 321 O HIS A 194 0.152 8.503 6.859 1.00 0.00 O ATOM 322 CB HIS A 194 0.566 11.648 6.262 1.00 0.00 C ATOM 323 CG HIS A 194 1.280 12.968 6.393 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.981 13.544 5.342 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.414 13.830 7.452 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.503 14.703 5.792 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.189 14.924 7.072 1.00 0.00 N ATOM 0 H HIS A 194 2.456 9.251 6.623 1.00 0.00 H new ATOM 0 HA HIS A 194 1.097 11.220 8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.755 11.218 5.278 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.511 11.797 6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.984 13.683 8.432 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.102 15.371 5.191 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.459 15.722 7.647 1.00 0.00 H new ATOM 335 N GLN A 195 -0.901 9.674 8.373 1.00 0.00 N ATOM 336 CA GLN A 195 -1.908 8.599 8.592 1.00 0.00 C ATOM 337 C GLN A 195 -2.837 8.438 7.366 1.00 0.00 C ATOM 338 O GLN A 195 -3.376 7.371 7.128 1.00 0.00 O ATOM 339 CB GLN A 195 -2.742 8.955 9.829 1.00 0.00 C ATOM 340 CG GLN A 195 -3.663 7.784 10.177 1.00 0.00 C ATOM 341 CD GLN A 195 -2.819 6.597 10.671 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.369 6.585 11.801 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.579 5.593 9.862 1.00 0.00 N ATOM 0 H GLN A 195 -1.032 10.507 8.947 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.387 7.653 8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.087 9.179 10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.332 9.851 9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.374 8.083 10.947 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.244 7.492 9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.955 5.601 8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.016 4.804 10.181 1.00 0.00 H new ATOM 352 N TYR A 196 -3.079 9.495 6.620 1.00 0.00 N ATOM 353 CA TYR A 196 -4.035 9.408 5.458 1.00 0.00 C ATOM 354 C TYR A 196 -3.364 9.695 4.110 1.00 0.00 C ATOM 355 O TYR A 196 -2.452 10.492 3.994 1.00 0.00 O ATOM 356 CB TYR A 196 -5.137 10.443 5.686 1.00 0.00 C ATOM 357 CG TYR A 196 -5.907 10.082 6.936 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.953 9.152 6.884 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.568 10.686 8.153 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.659 8.830 8.048 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.278 10.363 9.319 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.321 9.436 9.266 1.00 0.00 C ATOM 363 OH TYR A 196 -8.015 9.124 10.417 1.00 0.00 O ATOM 0 H TYR A 196 -2.658 10.413 6.763 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.423 8.390 5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.703 11.438 5.786 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.808 10.473 4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.214 8.684 5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.760 11.401 8.194 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.466 8.113 8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -6.018 10.831 10.257 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.648 9.635 11.169 1.00 0.00 H new ATOM 373 N TYR A 197 -3.858 9.054 3.083 1.00 0.00 N ATOM 374 CA TYR A 197 -3.333 9.274 1.704 1.00 0.00 C ATOM 375 C TYR A 197 -4.465 9.046 0.699 1.00 0.00 C ATOM 376 O TYR A 197 -5.130 8.030 0.717 1.00 0.00 O ATOM 377 CB TYR A 197 -2.178 8.308 1.419 1.00 0.00 C ATOM 378 CG TYR A 197 -0.890 8.867 1.952 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.521 8.648 3.278 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.059 9.605 1.099 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.690 9.163 3.750 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.146 10.121 1.570 1.00 0.00 C ATOM 383 CZ TYR A 197 1.525 9.900 2.893 1.00 0.00 C ATOM 384 OH TYR A 197 2.721 10.407 3.357 1.00 0.00 O ATOM 0 H TYR A 197 -4.617 8.375 3.144 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.961 10.295 1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.381 7.341 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.093 8.138 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.166 8.085 3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.353 9.774 0.074 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.984 8.994 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.785 10.691 0.912 1.00 0.00 H new ATOM 0 HH TYR A 197 3.326 9.668 3.577 1.00 0.00 H new ATOM 394 N ASN A 198 -4.690 9.980 -0.193 1.00 0.00 N ATOM 395 CA ASN A 198 -5.775 9.795 -1.203 1.00 0.00 C ATOM 396 C ASN A 198 -5.205 9.115 -2.453 1.00 0.00 C ATOM 397 O ASN A 198 -4.009 9.012 -2.625 1.00 0.00 O ATOM 398 CB ASN A 198 -6.384 11.144 -1.592 1.00 0.00 C ATOM 399 CG ASN A 198 -5.372 11.981 -2.362 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.180 11.746 -2.293 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.812 12.951 -3.109 1.00 0.00 N ATOM 0 H ASN A 198 -4.173 10.856 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.554 9.170 -0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.274 10.986 -2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.702 11.679 -0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.156 13.521 -3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.813 13.141 -3.161 1.00 0.00 H new ATOM 408 N LEU A 199 -6.057 8.648 -3.326 1.00 0.00 N ATOM 409 CA LEU A 199 -5.569 7.970 -4.563 1.00 0.00 C ATOM 410 C LEU A 199 -4.573 8.871 -5.318 1.00 0.00 C ATOM 411 O LEU A 199 -3.553 8.411 -5.792 1.00 0.00 O ATOM 412 CB LEU A 199 -6.758 7.683 -5.493 1.00 0.00 C ATOM 413 CG LEU A 199 -7.706 6.643 -4.870 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.970 6.526 -5.741 1.00 0.00 C ATOM 415 CD2 LEU A 199 -7.015 5.266 -4.780 1.00 0.00 C ATOM 0 H LEU A 199 -7.071 8.707 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.075 7.043 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.303 8.607 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.394 7.319 -6.454 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.974 6.966 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.646 5.790 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.469 7.494 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.691 6.211 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.700 4.543 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.734 4.934 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.122 5.347 -4.160 1.00 0.00 H new ATOM 427 N LYS A 200 -4.869 10.137 -5.452 1.00 0.00 N ATOM 428 CA LYS A 200 -3.957 11.056 -6.204 1.00 0.00 C ATOM 429 C LYS A 200 -2.555 11.088 -5.572 1.00 0.00 C ATOM 430 O LYS A 200 -1.558 11.095 -6.263 1.00 0.00 O ATOM 431 CB LYS A 200 -4.563 12.470 -6.223 1.00 0.00 C ATOM 432 CG LYS A 200 -3.778 13.389 -7.186 1.00 0.00 C ATOM 433 CD LYS A 200 -4.277 13.211 -8.631 1.00 0.00 C ATOM 434 CE LYS A 200 -3.407 14.033 -9.596 1.00 0.00 C ATOM 435 NZ LYS A 200 -3.504 15.484 -9.257 1.00 0.00 N ATOM 0 H LYS A 200 -5.706 10.578 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.853 10.687 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.607 12.419 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.548 12.891 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.894 14.429 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.714 13.158 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.245 12.157 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.317 13.529 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -2.370 13.705 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.732 13.868 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -3.132 16.050 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.499 15.736 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -2.949 15.678 -8.399 1.00 0.00 H new ATOM 449 N ASP A 201 -2.454 11.121 -4.281 1.00 0.00 N ATOM 450 CA ASP A 201 -1.102 11.162 -3.670 1.00 0.00 C ATOM 451 C ASP A 201 -0.399 9.816 -3.880 1.00 0.00 C ATOM 452 O ASP A 201 0.787 9.755 -4.141 1.00 0.00 O ATOM 453 CB ASP A 201 -1.218 11.463 -2.174 1.00 0.00 C ATOM 454 CG ASP A 201 -1.660 12.917 -1.966 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.653 13.667 -2.928 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.005 13.248 -0.843 1.00 0.00 O ATOM 0 H ASP A 201 -3.236 11.122 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.516 11.948 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -1.937 10.786 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.259 11.292 -1.684 1.00 0.00 H new ATOM 461 N LEU A 202 -1.120 8.734 -3.760 1.00 0.00 N ATOM 462 CA LEU A 202 -0.496 7.390 -3.934 1.00 0.00 C ATOM 463 C LEU A 202 0.086 7.223 -5.340 1.00 0.00 C ATOM 464 O LEU A 202 1.137 6.637 -5.502 1.00 0.00 O ATOM 465 CB LEU A 202 -1.548 6.299 -3.666 1.00 0.00 C ATOM 466 CG LEU A 202 -1.907 6.252 -2.168 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.064 5.260 -1.948 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.687 5.794 -1.341 1.00 0.00 C ATOM 0 H LEU A 202 -2.118 8.723 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 202 0.323 7.296 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.444 6.497 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.165 5.330 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.205 7.250 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.318 5.227 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.934 5.583 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.760 4.267 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.954 5.765 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.380 4.800 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.136 6.494 -1.488 1.00 0.00 H new ATOM 480 N VAL A 203 -0.572 7.717 -6.358 1.00 0.00 N ATOM 481 CA VAL A 203 -0.014 7.551 -7.733 1.00 0.00 C ATOM 482 C VAL A 203 1.289 8.322 -7.859 1.00 0.00 C ATOM 483 O VAL A 203 2.244 7.837 -8.429 1.00 0.00 O ATOM 484 CB VAL A 203 -1.017 8.013 -8.792 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.143 6.990 -8.891 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.592 9.359 -8.382 1.00 0.00 C ATOM 0 H VAL A 203 -1.457 8.220 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 203 0.183 6.492 -7.901 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.520 8.107 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.862 7.312 -9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.731 6.021 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.642 6.904 -7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.308 9.693 -9.133 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.095 9.262 -7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.786 10.089 -8.298 1.00 0.00 H new ATOM 496 N ASP A 204 1.360 9.506 -7.322 1.00 0.00 N ATOM 497 CA ASP A 204 2.638 10.262 -7.414 1.00 0.00 C ATOM 498 C ASP A 204 3.744 9.375 -6.836 1.00 0.00 C ATOM 499 O ASP A 204 4.832 9.287 -7.369 1.00 0.00 O ATOM 500 CB ASP A 204 2.535 11.548 -6.587 1.00 0.00 C ATOM 501 CG ASP A 204 3.712 12.464 -6.918 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.569 12.047 -7.681 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.736 13.570 -6.405 1.00 0.00 O ATOM 0 H ASP A 204 0.601 9.978 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 204 2.854 10.525 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.594 12.056 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.534 11.310 -5.523 1.00 0.00 H new ATOM 508 N ILE A 205 3.451 8.709 -5.751 1.00 0.00 N ATOM 509 CA ILE A 205 4.451 7.804 -5.114 1.00 0.00 C ATOM 510 C ILE A 205 4.602 6.543 -5.970 1.00 0.00 C ATOM 511 O ILE A 205 5.601 5.855 -5.913 1.00 0.00 O ATOM 512 CB ILE A 205 3.970 7.427 -3.709 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.698 8.713 -2.921 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.056 6.613 -2.986 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.106 8.388 -1.546 1.00 0.00 C ATOM 0 H ILE A 205 2.551 8.754 -5.274 1.00 0.00 H new ATOM 0 HA ILE A 205 5.415 8.307 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 205 3.062 6.828 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.624 9.275 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 205 3.010 9.349 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.708 6.348 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.266 5.704 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 205 5.965 7.209 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.920 9.314 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.168 7.847 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 205 3.808 7.772 -0.984 1.00 0.00 H new ATOM 527 N THR A 206 3.605 6.225 -6.760 1.00 0.00 N ATOM 528 CA THR A 206 3.677 5.004 -7.619 1.00 0.00 C ATOM 529 C THR A 206 2.959 5.279 -8.949 1.00 0.00 C ATOM 530 O THR A 206 1.762 5.392 -9.009 1.00 0.00 O ATOM 531 CB THR A 206 2.992 3.840 -6.895 1.00 0.00 C ATOM 532 OG1 THR A 206 1.638 4.180 -6.621 1.00 0.00 O ATOM 533 CG2 THR A 206 3.729 3.553 -5.588 1.00 0.00 C ATOM 0 H THR A 206 2.742 6.761 -6.846 1.00 0.00 H new ATOM 0 HA THR A 206 4.718 4.748 -7.815 1.00 0.00 H new ATOM 0 HB THR A 206 3.016 2.952 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.596 5.088 -6.254 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.244 2.725 -5.071 1.00 0.00 H new ATOM 0 HG22 THR A 206 4.764 3.289 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 206 3.706 4.440 -4.955 1.00 0.00 H new ATOM 541 N LYS A 207 3.694 5.394 -10.014 1.00 0.00 N ATOM 542 CA LYS A 207 3.067 5.683 -11.338 1.00 0.00 C ATOM 543 C LYS A 207 2.391 4.421 -11.892 1.00 0.00 C ATOM 544 O LYS A 207 2.093 4.333 -13.072 1.00 0.00 O ATOM 545 CB LYS A 207 4.154 6.149 -12.307 1.00 0.00 C ATOM 546 CG LYS A 207 4.793 7.439 -11.778 1.00 0.00 C ATOM 547 CD LYS A 207 5.603 8.124 -12.893 1.00 0.00 C ATOM 548 CE LYS A 207 6.818 7.271 -13.282 1.00 0.00 C ATOM 549 NZ LYS A 207 7.663 8.019 -14.255 1.00 0.00 N ATOM 0 H LYS A 207 4.710 5.300 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 207 2.312 6.460 -11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.913 5.374 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.726 6.321 -13.295 1.00 0.00 H new ATOM 0 HG2 LYS A 207 4.019 8.114 -11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.443 7.212 -10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 207 4.969 8.282 -13.765 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.935 9.107 -12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 207 7.400 7.023 -12.394 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.488 6.329 -13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 8.486 7.440 -14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 7.105 8.234 -15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 7.989 8.906 -13.822 1.00 0.00 H new ATOM 563 N GLN A 208 2.149 3.442 -11.054 1.00 0.00 N ATOM 564 CA GLN A 208 1.502 2.184 -11.532 1.00 0.00 C ATOM 565 C GLN A 208 -0.009 2.422 -11.678 1.00 0.00 C ATOM 566 O GLN A 208 -0.570 3.229 -10.965 1.00 0.00 O ATOM 567 CB GLN A 208 1.734 1.062 -10.506 1.00 0.00 C ATOM 568 CG GLN A 208 3.217 0.670 -10.478 1.00 0.00 C ATOM 569 CD GLN A 208 4.031 1.697 -9.680 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.245 2.801 -10.132 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.515 1.374 -8.510 1.00 0.00 N ATOM 0 H GLN A 208 2.373 3.462 -10.059 1.00 0.00 H new ATOM 0 HA GLN A 208 1.931 1.896 -12.492 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.419 1.393 -9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.125 0.194 -10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.329 -0.318 -10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.601 0.605 -11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.339 0.447 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 208 5.069 2.049 -7.983 1.00 0.00 H new ATOM 580 N PRO A 209 -0.671 1.737 -12.598 1.00 0.00 N ATOM 581 CA PRO A 209 -2.145 1.920 -12.821 1.00 0.00 C ATOM 582 C PRO A 209 -2.932 1.924 -11.498 1.00 0.00 C ATOM 583 O PRO A 209 -2.769 1.053 -10.670 1.00 0.00 O ATOM 584 CB PRO A 209 -2.539 0.706 -13.687 1.00 0.00 C ATOM 585 CG PRO A 209 -1.284 0.290 -14.399 1.00 0.00 C ATOM 586 CD PRO A 209 -0.102 0.713 -13.511 1.00 0.00 C ATOM 0 HA PRO A 209 -2.372 2.876 -13.292 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.927 -0.105 -13.071 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.323 0.970 -14.397 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.275 -0.787 -14.566 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.220 0.765 -15.378 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.300 -0.134 -12.956 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.715 1.121 -14.106 1.00 0.00 H new ATOM 594 N VAL A 210 -3.788 2.891 -11.295 1.00 0.00 N ATOM 595 CA VAL A 210 -4.570 2.931 -10.031 1.00 0.00 C ATOM 596 C VAL A 210 -5.348 1.641 -9.870 1.00 0.00 C ATOM 597 O VAL A 210 -5.376 1.046 -8.809 1.00 0.00 O ATOM 598 CB VAL A 210 -5.525 4.125 -10.073 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.703 5.399 -10.131 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.423 4.044 -11.311 1.00 0.00 C ATOM 0 H VAL A 210 -3.977 3.651 -11.949 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.896 3.039 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.155 4.118 -9.183 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.369 6.261 -10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.068 5.463 -9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.080 5.390 -11.026 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.097 4.900 -11.328 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.806 4.051 -12.209 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.006 3.124 -11.278 1.00 0.00 H new ATOM 610 N VAL A 211 -5.973 1.185 -10.920 1.00 0.00 N ATOM 611 CA VAL A 211 -6.747 -0.074 -10.831 1.00 0.00 C ATOM 612 C VAL A 211 -5.885 -1.129 -10.157 1.00 0.00 C ATOM 613 O VAL A 211 -6.356 -1.912 -9.359 1.00 0.00 O ATOM 614 CB VAL A 211 -7.141 -0.551 -12.233 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.093 0.461 -12.876 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.878 -0.701 -13.096 1.00 0.00 C ATOM 0 H VAL A 211 -5.978 1.634 -11.836 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.655 0.095 -10.252 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.645 -1.515 -12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.370 0.117 -13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.989 0.558 -12.263 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.598 1.429 -12.951 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -6.157 -1.040 -14.094 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.371 0.261 -13.169 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -5.209 -1.430 -12.639 1.00 0.00 H new ATOM 626 N TYR A 212 -4.616 -1.147 -10.455 1.00 0.00 N ATOM 627 CA TYR A 212 -3.736 -2.154 -9.796 1.00 0.00 C ATOM 628 C TYR A 212 -3.538 -1.771 -8.321 1.00 0.00 C ATOM 629 O TYR A 212 -3.609 -2.603 -7.439 1.00 0.00 O ATOM 630 CB TYR A 212 -2.375 -2.207 -10.491 1.00 0.00 C ATOM 631 CG TYR A 212 -1.532 -3.282 -9.844 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.777 -4.632 -10.120 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.507 -2.925 -8.963 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.987 -5.624 -9.516 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.277 -3.910 -8.360 1.00 0.00 C ATOM 636 CZ TYR A 212 0.043 -5.258 -8.634 1.00 0.00 C ATOM 637 OH TYR A 212 0.832 -6.225 -8.041 1.00 0.00 O ATOM 0 H TYR A 212 -4.155 -0.520 -11.115 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.208 -3.134 -9.866 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.503 -2.417 -11.553 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.876 -1.241 -10.415 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.572 -4.910 -10.796 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.321 -1.883 -8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.171 -6.667 -9.729 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.067 -3.628 -7.680 1.00 0.00 H new ATOM 0 HH TYR A 212 1.493 -6.550 -8.688 1.00 0.00 H new ATOM 647 N LEU A 213 -3.294 -0.518 -8.055 1.00 0.00 N ATOM 648 CA LEU A 213 -3.097 -0.070 -6.645 1.00 0.00 C ATOM 649 C LEU A 213 -4.394 -0.244 -5.863 1.00 0.00 C ATOM 650 O LEU A 213 -4.393 -0.650 -4.715 1.00 0.00 O ATOM 651 CB LEU A 213 -2.691 1.407 -6.631 1.00 0.00 C ATOM 652 CG LEU A 213 -1.313 1.572 -7.283 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.991 3.060 -7.384 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.232 0.859 -6.440 1.00 0.00 C ATOM 0 H LEU A 213 -3.222 0.220 -8.756 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.313 -0.671 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.431 2.002 -7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.665 1.777 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.326 1.126 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.013 3.190 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.748 3.556 -7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.982 3.499 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.741 0.984 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.206 1.292 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.467 -0.203 -6.370 1.00 0.00 H new ATOM 666 N LYS A 214 -5.497 0.074 -6.472 1.00 0.00 N ATOM 667 CA LYS A 214 -6.799 -0.053 -5.768 1.00 0.00 C ATOM 668 C LYS A 214 -7.023 -1.493 -5.326 1.00 0.00 C ATOM 669 O LYS A 214 -7.513 -1.739 -4.241 1.00 0.00 O ATOM 670 CB LYS A 214 -7.920 0.362 -6.712 1.00 0.00 C ATOM 671 CG LYS A 214 -7.851 1.867 -6.964 1.00 0.00 C ATOM 672 CD LYS A 214 -9.071 2.272 -7.792 1.00 0.00 C ATOM 673 CE LYS A 214 -8.982 3.750 -8.169 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.350 4.278 -8.423 1.00 0.00 N ATOM 0 H LYS A 214 -5.554 0.418 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.792 0.590 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.833 -0.179 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.887 0.100 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.836 2.410 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -6.932 2.122 -7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.128 1.662 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.983 2.088 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.506 4.313 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -8.362 3.874 -9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.292 5.284 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -10.788 3.747 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.928 4.173 -7.565 1.00 0.00 H new ATOM 688 N GLU A 215 -6.676 -2.446 -6.143 1.00 0.00 N ATOM 689 CA GLU A 215 -6.889 -3.865 -5.744 1.00 0.00 C ATOM 690 C GLU A 215 -6.095 -4.140 -4.466 1.00 0.00 C ATOM 691 O GLU A 215 -6.555 -4.819 -3.570 1.00 0.00 O ATOM 692 CB GLU A 215 -6.411 -4.794 -6.860 1.00 0.00 C ATOM 693 CG GLU A 215 -7.354 -4.684 -8.066 1.00 0.00 C ATOM 694 CD GLU A 215 -8.657 -5.433 -7.775 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.732 -6.069 -6.739 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.558 -5.358 -8.596 1.00 0.00 O ATOM 0 H GLU A 215 -6.257 -2.307 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.949 -4.045 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.395 -4.530 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.382 -5.823 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.566 -3.636 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -6.875 -5.099 -8.953 1.00 0.00 H new ATOM 703 N ILE A 216 -4.908 -3.606 -4.362 1.00 0.00 N ATOM 704 CA ILE A 216 -4.101 -3.830 -3.123 1.00 0.00 C ATOM 705 C ILE A 216 -4.743 -3.066 -1.973 1.00 0.00 C ATOM 706 O ILE A 216 -4.857 -3.562 -0.873 1.00 0.00 O ATOM 707 CB ILE A 216 -2.684 -3.302 -3.328 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.002 -4.112 -4.426 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.890 -3.428 -2.026 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.730 -3.397 -4.867 1.00 0.00 C ATOM 0 H ILE A 216 -4.463 -3.028 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.066 -4.897 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.725 -2.252 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.763 -5.111 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.676 -4.235 -5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.879 -3.050 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.380 -2.849 -1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.844 -4.475 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.241 -3.975 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.982 -2.408 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.055 -3.297 -4.017 1.00 0.00 H new ATOM 722 N LEU A 217 -5.158 -1.859 -2.226 1.00 0.00 N ATOM 723 CA LEU A 217 -5.790 -1.050 -1.153 1.00 0.00 C ATOM 724 C LEU A 217 -7.138 -1.683 -0.779 1.00 0.00 C ATOM 725 O LEU A 217 -7.574 -1.625 0.347 1.00 0.00 O ATOM 726 CB LEU A 217 -6.010 0.374 -1.672 1.00 0.00 C ATOM 727 CG LEU A 217 -4.656 1.037 -1.975 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.898 2.345 -2.740 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.891 1.336 -0.666 1.00 0.00 C ATOM 0 H LEU A 217 -5.086 -1.397 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.148 -1.021 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.623 0.351 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.554 0.960 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.055 0.357 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.942 2.821 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.418 2.130 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.506 3.015 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.936 1.805 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.482 2.009 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.715 0.405 -0.127 1.00 0.00 H new ATOM 741 N LYS A 218 -7.811 -2.284 -1.712 1.00 0.00 N ATOM 742 CA LYS A 218 -9.130 -2.906 -1.383 1.00 0.00 C ATOM 743 C LYS A 218 -8.961 -4.014 -0.342 1.00 0.00 C ATOM 744 O LYS A 218 -9.771 -4.165 0.554 1.00 0.00 O ATOM 745 CB LYS A 218 -9.744 -3.506 -2.656 1.00 0.00 C ATOM 746 CG LYS A 218 -10.306 -2.383 -3.549 1.00 0.00 C ATOM 747 CD LYS A 218 -11.735 -2.024 -3.117 1.00 0.00 C ATOM 748 CE LYS A 218 -12.298 -0.960 -4.063 1.00 0.00 C ATOM 749 NZ LYS A 218 -12.529 -1.553 -5.412 1.00 0.00 N ATOM 0 H LYS A 218 -7.514 -2.375 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.784 -2.135 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -8.989 -4.073 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.538 -4.204 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.667 -1.503 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -10.303 -2.702 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -12.366 -2.912 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.735 -1.652 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.232 -0.564 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -11.604 -0.123 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -13.190 -0.954 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.626 -1.614 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -12.933 -2.506 -5.308 1.00 0.00 H new ATOM 763 N GLU A 219 -7.932 -4.804 -0.483 1.00 0.00 N ATOM 764 CA GLU A 219 -7.706 -5.938 0.455 1.00 0.00 C ATOM 765 C GLU A 219 -7.228 -5.445 1.837 1.00 0.00 C ATOM 766 O GLU A 219 -7.703 -5.919 2.851 1.00 0.00 O ATOM 767 CB GLU A 219 -6.646 -6.861 -0.159 1.00 0.00 C ATOM 768 CG GLU A 219 -7.246 -7.576 -1.379 1.00 0.00 C ATOM 769 CD GLU A 219 -8.250 -8.627 -0.907 1.00 0.00 C ATOM 770 OE1 GLU A 219 -8.218 -8.961 0.264 1.00 0.00 O ATOM 771 OE2 GLU A 219 -9.035 -9.078 -1.724 1.00 0.00 O ATOM 0 H GLU A 219 -7.230 -4.710 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.646 -6.469 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.771 -6.283 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.311 -7.591 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.737 -6.855 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -6.456 -8.048 -1.963 1.00 0.00 H new ATOM 778 N ILE A 220 -6.287 -4.523 1.891 1.00 0.00 N ATOM 779 CA ILE A 220 -5.769 -4.034 3.225 1.00 0.00 C ATOM 780 C ILE A 220 -6.033 -2.537 3.420 1.00 0.00 C ATOM 781 O ILE A 220 -5.808 -1.998 4.484 1.00 0.00 O ATOM 782 CB ILE A 220 -4.262 -4.295 3.281 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.551 -3.496 2.168 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.010 -5.796 3.085 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.036 -3.598 2.343 1.00 0.00 C ATOM 0 H ILE A 220 -5.855 -4.088 1.076 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.289 -4.568 4.020 1.00 0.00 H new ATOM 0 HB ILE A 220 -3.869 -3.979 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.840 -3.881 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.861 -2.452 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -2.939 -5.993 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.510 -6.355 3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.402 -6.107 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.540 -3.032 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.754 -3.191 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.733 -4.643 2.285 1.00 0.00 H new ATOM 797 N GLY A 221 -6.476 -1.852 2.404 1.00 0.00 N ATOM 798 CA GLY A 221 -6.732 -0.381 2.543 1.00 0.00 C ATOM 799 C GLY A 221 -8.160 -0.130 3.050 1.00 0.00 C ATOM 800 O GLY A 221 -8.950 -1.038 3.222 1.00 0.00 O ATOM 0 H GLY A 221 -6.673 -2.241 1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.012 0.056 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.589 0.112 1.581 1.00 0.00 H new ATOM 804 N VAL A 222 -8.488 1.114 3.269 1.00 0.00 N ATOM 805 CA VAL A 222 -9.848 1.497 3.743 1.00 0.00 C ATOM 806 C VAL A 222 -10.230 2.754 2.952 1.00 0.00 C ATOM 807 O VAL A 222 -9.427 3.258 2.205 1.00 0.00 O ATOM 808 CB VAL A 222 -9.800 1.803 5.260 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.170 2.276 5.754 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.414 0.537 6.023 1.00 0.00 C ATOM 0 H VAL A 222 -7.853 1.901 3.135 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.576 0.700 3.590 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.064 2.588 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.119 2.487 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.457 3.181 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.911 1.497 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.380 0.752 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.153 -0.242 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.434 0.196 5.690 1.00 0.00 H new ATOM 820 N GLN A 223 -11.432 3.264 3.088 1.00 0.00 N ATOM 821 CA GLN A 223 -11.831 4.502 2.318 1.00 0.00 C ATOM 822 C GLN A 223 -12.643 5.431 3.225 1.00 0.00 C ATOM 823 O GLN A 223 -13.266 4.997 4.176 1.00 0.00 O ATOM 824 CB GLN A 223 -12.678 4.129 1.084 1.00 0.00 C ATOM 825 CG GLN A 223 -13.114 5.406 0.320 1.00 0.00 C ATOM 826 CD GLN A 223 -11.878 6.203 -0.110 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.124 5.772 -0.958 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.641 7.369 0.431 1.00 0.00 N ATOM 0 H GLN A 223 -12.157 2.883 3.696 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.925 5.007 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.103 3.481 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.558 3.566 1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.704 5.133 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.751 6.021 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.270 7.738 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.827 7.910 0.140 1.00 0.00 H new ATOM 837 N ASN A 224 -12.623 6.712 2.943 1.00 0.00 N ATOM 838 CA ASN A 224 -13.378 7.680 3.792 1.00 0.00 C ATOM 839 C ASN A 224 -13.749 8.915 2.972 1.00 0.00 C ATOM 840 O ASN A 224 -12.912 9.721 2.616 1.00 0.00 O ATOM 841 CB ASN A 224 -12.500 8.117 4.965 1.00 0.00 C ATOM 842 CG ASN A 224 -11.694 6.920 5.460 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.127 6.203 6.337 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.535 6.668 4.919 1.00 0.00 N ATOM 0 H ASN A 224 -12.116 7.126 2.161 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.284 7.198 4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.830 8.919 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.119 8.513 5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.989 5.866 5.233 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.174 7.273 4.182 1.00 0.00 H new ATOM 851 N VAL A 225 -15.011 9.080 2.701 1.00 0.00 N ATOM 852 CA VAL A 225 -15.476 10.269 1.940 1.00 0.00 C ATOM 853 C VAL A 225 -15.842 11.344 2.962 1.00 0.00 C ATOM 854 O VAL A 225 -16.464 11.058 3.964 1.00 0.00 O ATOM 855 CB VAL A 225 -16.709 9.886 1.128 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.348 8.778 0.134 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.790 9.392 2.082 1.00 0.00 C ATOM 0 H VAL A 225 -15.749 8.433 2.978 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.706 10.633 1.260 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.073 10.752 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.231 8.506 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.568 9.133 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.988 7.905 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.678 9.115 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.423 8.523 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -18.043 10.184 2.787 1.00 0.00 H new ATOM 867 N LYS A 226 -15.424 12.560 2.750 1.00 0.00 N ATOM 868 CA LYS A 226 -15.712 13.646 3.746 1.00 0.00 C ATOM 869 C LYS A 226 -16.356 14.851 3.052 1.00 0.00 C ATOM 870 O LYS A 226 -16.939 14.720 1.998 1.00 0.00 O ATOM 871 CB LYS A 226 -14.391 14.042 4.397 1.00 0.00 C ATOM 872 CG LYS A 226 -13.705 12.774 4.914 1.00 0.00 C ATOM 873 CD LYS A 226 -12.328 13.117 5.496 1.00 0.00 C ATOM 874 CE LYS A 226 -11.895 12.029 6.492 1.00 0.00 C ATOM 875 NZ LYS A 226 -12.740 12.102 7.714 1.00 0.00 N ATOM 0 H LYS A 226 -14.894 12.856 1.930 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.412 13.292 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.751 14.552 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.566 14.739 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.324 12.303 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.596 12.054 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.595 13.200 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -12.365 14.085 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -11.987 11.045 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -10.846 12.161 6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -12.214 11.715 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -12.989 13.093 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -13.609 11.549 7.569 1.00 0.00 H new ATOM 889 N GLY A 227 -16.263 16.019 3.656 1.00 0.00 N ATOM 890 CA GLY A 227 -16.872 17.265 3.063 1.00 0.00 C ATOM 891 C GLY A 227 -16.873 17.196 1.532 1.00 0.00 C ATOM 892 O GLY A 227 -17.788 16.658 0.937 1.00 0.00 O ATOM 0 H GLY A 227 -15.785 16.165 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -17.893 17.385 3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.312 18.141 3.392 1.00 0.00 H new ATOM 896 N ILE A 228 -15.858 17.708 0.876 1.00 0.00 N ATOM 897 CA ILE A 228 -15.846 17.619 -0.611 1.00 0.00 C ATOM 898 C ILE A 228 -15.419 16.198 -1.013 1.00 0.00 C ATOM 899 O ILE A 228 -14.681 15.992 -1.954 1.00 0.00 O ATOM 900 CB ILE A 228 -14.912 18.684 -1.224 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.482 18.545 -0.676 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.458 20.087 -0.903 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.508 19.248 -1.631 1.00 0.00 C ATOM 0 H ILE A 228 -15.055 18.174 1.299 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.845 17.818 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.878 18.537 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.416 18.985 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.218 17.492 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.800 20.841 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.458 20.194 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.503 20.221 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.492 19.154 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.569 18.787 -2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.771 20.303 -1.707 1.00 0.00 H new ATOM 915 N HIS A 229 -15.905 15.214 -0.292 1.00 0.00 N ATOM 916 CA HIS A 229 -15.577 13.790 -0.605 1.00 0.00 C ATOM 917 C HIS A 229 -14.058 13.558 -0.602 1.00 0.00 C ATOM 918 O HIS A 229 -13.504 13.021 -1.546 1.00 0.00 O ATOM 919 CB HIS A 229 -16.147 13.419 -1.979 1.00 0.00 C ATOM 920 CG HIS A 229 -17.606 13.792 -2.037 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.540 13.267 -1.155 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.300 14.652 -2.855 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.733 13.822 -1.457 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.641 14.672 -2.484 1.00 0.00 N ATOM 0 H HIS A 229 -16.523 15.342 0.510 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.024 13.161 0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.597 13.937 -2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.027 12.350 -2.158 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -17.870 15.225 -3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.651 13.605 -0.932 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.392 15.218 -2.905 1.00 0.00 H new ATOM 932 N LYS A 230 -13.366 13.943 0.441 1.00 0.00 N ATOM 933 CA LYS A 230 -11.904 13.712 0.438 1.00 0.00 C ATOM 934 C LYS A 230 -11.663 12.209 0.419 1.00 0.00 C ATOM 935 O LYS A 230 -11.925 11.508 1.377 1.00 0.00 O ATOM 936 CB LYS A 230 -11.244 14.332 1.683 1.00 0.00 C ATOM 937 CG LYS A 230 -11.127 15.879 1.545 1.00 0.00 C ATOM 938 CD LYS A 230 -12.314 16.581 2.226 1.00 0.00 C ATOM 939 CE LYS A 230 -12.077 16.706 3.740 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.980 17.689 4.001 1.00 0.00 N ATOM 0 H LYS A 230 -13.745 14.396 1.272 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.463 14.183 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.829 14.086 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.253 13.901 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -10.193 16.219 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -11.093 16.153 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -12.455 17.571 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -13.230 16.019 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.993 17.029 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.814 15.734 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -11.083 18.078 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.060 17.212 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -11.034 18.462 3.307 1.00 0.00 H new ATOM 954 N ASN A 231 -11.177 11.704 -0.679 1.00 0.00 N ATOM 955 CA ASN A 231 -10.935 10.253 -0.778 1.00 0.00 C ATOM 956 C ASN A 231 -9.661 9.924 -0.027 1.00 0.00 C ATOM 957 O ASN A 231 -8.586 10.216 -0.494 1.00 0.00 O ATOM 958 CB ASN A 231 -10.747 9.863 -2.246 1.00 0.00 C ATOM 959 CG ASN A 231 -11.766 10.597 -3.108 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.920 10.216 -3.174 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.379 11.643 -3.778 1.00 0.00 N ATOM 0 H ASN A 231 -10.938 12.242 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.782 9.710 -0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.736 10.110 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.865 8.786 -2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.044 12.149 -4.363 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.410 11.957 -3.718 1.00 0.00 H new ATOM 968 N THR A 232 -9.763 9.322 1.125 1.00 0.00 N ATOM 969 CA THR A 232 -8.524 8.973 1.892 1.00 0.00 C ATOM 970 C THR A 232 -8.463 7.461 2.115 1.00 0.00 C ATOM 971 O THR A 232 -9.457 6.819 2.386 1.00 0.00 O ATOM 972 CB THR A 232 -8.533 9.696 3.235 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.625 9.240 4.010 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.649 11.207 3.016 1.00 0.00 C ATOM 0 H THR A 232 -10.642 9.056 1.570 1.00 0.00 H new ATOM 0 HA THR A 232 -7.648 9.284 1.323 1.00 0.00 H new ATOM 0 HB THR A 232 -7.602 9.485 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.629 9.703 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.655 11.715 3.980 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.800 11.556 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.575 11.428 2.484 1.00 0.00 H new ATOM 982 N TRP A 233 -7.283 6.897 1.993 1.00 0.00 N ATOM 983 CA TRP A 233 -7.099 5.422 2.185 1.00 0.00 C ATOM 984 C TRP A 233 -6.197 5.148 3.388 1.00 0.00 C ATOM 985 O TRP A 233 -5.254 5.875 3.645 1.00 0.00 O ATOM 986 CB TRP A 233 -6.463 4.811 0.928 1.00 0.00 C ATOM 987 CG TRP A 233 -7.481 4.766 -0.169 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.764 5.785 -1.012 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.356 3.664 -0.555 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.767 5.386 -1.876 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.162 4.083 -1.639 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.527 2.358 -0.071 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.107 3.231 -2.220 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.475 1.497 -0.651 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.265 1.934 -1.724 1.00 0.00 C ATOM 0 H TRP A 233 -6.428 7.404 1.765 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.076 4.971 2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.602 5.403 0.617 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.098 3.807 1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.285 6.753 -1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.167 5.982 -2.601 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.924 2.011 0.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.711 3.573 -3.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.595 0.494 -0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.993 1.270 -2.166 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.482 4.097 4.123 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.641 3.744 5.315 1.00 0.00 C ATOM 1008 C GLU A 234 -5.416 2.226 5.368 1.00 0.00 C ATOM 1009 O GLU A 234 -6.332 1.447 5.180 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.369 4.145 6.590 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.530 5.658 6.656 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.056 6.028 8.038 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.202 5.714 8.315 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.313 6.629 8.793 1.00 0.00 O ATOM 0 H GLU A 234 -7.264 3.466 3.948 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.688 4.267 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.348 3.667 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.813 3.794 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.575 6.149 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.220 6.000 5.884 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.217 1.798 5.656 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.954 0.331 5.757 1.00 0.00 C ATOM 1023 C LEU A 235 -4.586 -0.181 7.048 1.00 0.00 C ATOM 1024 O LEU A 235 -4.024 -0.033 8.114 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.439 0.086 5.797 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.797 0.630 4.510 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.264 0.572 4.621 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.271 -0.198 3.294 1.00 0.00 C ATOM 0 H LEU A 235 -3.409 2.397 5.826 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.378 -0.189 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -2.004 0.576 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.235 -0.980 5.895 1.00 0.00 H new ATOM 0 HG LEU A 235 -2.102 1.667 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.182 0.959 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.063 1.176 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.051 -0.461 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.812 0.193 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.980 -1.240 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.356 -0.132 3.210 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.745 -0.775 6.988 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.349 -1.259 8.256 1.00 0.00 C ATOM 1042 C LYS A 236 -5.386 -2.276 8.902 1.00 0.00 C ATOM 1043 O LYS A 236 -5.120 -3.312 8.324 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.712 -1.919 8.000 1.00 0.00 C ATOM 1045 CG LYS A 236 -7.715 -2.670 6.675 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.040 -3.426 6.541 1.00 0.00 C ATOM 1047 CE LYS A 236 -9.171 -4.012 5.140 1.00 0.00 C ATOM 1048 NZ LYS A 236 -10.452 -4.763 5.046 1.00 0.00 N ATOM 0 H LYS A 236 -6.287 -0.942 6.140 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.508 -0.412 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.945 -2.607 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -8.493 -1.158 7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.592 -1.973 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -6.877 -3.366 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.089 -4.223 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.873 -2.753 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -9.146 -3.216 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -8.331 -4.673 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -10.549 -5.166 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.457 -5.530 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.247 -4.118 5.232 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.861 -2.001 10.081 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.919 -2.928 10.775 1.00 0.00 C ATOM 1064 C PRO A 237 -4.647 -4.003 11.577 1.00 0.00 C ATOM 1065 O PRO A 237 -4.067 -4.684 12.398 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.145 -1.999 11.701 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.136 -0.948 12.093 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.093 -0.788 10.898 1.00 0.00 C ATOM 0 HA PRO A 237 -3.291 -3.479 10.075 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -2.767 -2.533 12.573 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.283 -1.563 11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -4.680 -1.243 12.990 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -3.635 -0.007 12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.131 -0.721 11.225 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -4.877 0.119 10.334 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.915 -4.136 11.361 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.704 -5.141 12.123 1.00 0.00 C ATOM 1078 C GLU A 238 -6.100 -6.540 11.982 1.00 0.00 C ATOM 1079 O GLU A 238 -6.075 -7.289 12.937 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.145 -5.160 11.597 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.878 -3.883 12.025 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.000 -3.840 13.552 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -8.929 -4.896 14.162 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.166 -2.757 14.084 1.00 0.00 O ATOM 0 H GLU A 238 -6.449 -3.590 10.685 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.688 -4.862 13.177 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.143 -5.241 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.669 -6.035 11.980 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.337 -3.006 11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.869 -3.852 11.571 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.644 -6.916 10.808 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.073 -8.289 10.626 1.00 0.00 C ATOM 1093 C TYR A 239 -3.753 -8.264 9.835 1.00 0.00 C ATOM 1094 O TYR A 239 -3.330 -9.289 9.342 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.099 -9.139 9.872 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.226 -8.613 8.470 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.901 -7.410 8.249 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.647 -9.306 7.398 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.005 -6.898 6.963 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.746 -8.792 6.107 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.423 -7.587 5.886 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.510 -7.083 4.610 1.00 0.00 O ATOM 0 H TYR A 239 -5.643 -6.333 9.971 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.858 -8.708 11.609 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.786 -10.183 9.857 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.064 -9.103 10.378 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.342 -6.878 9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -5.126 -10.236 7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.532 -5.971 6.791 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.301 -9.322 5.278 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.347 -6.582 4.512 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.079 -7.145 9.689 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.802 -7.201 8.909 1.00 0.00 C ATOM 1114 C ARG A 240 -0.722 -7.853 9.774 1.00 0.00 C ATOM 1115 O ARG A 240 -0.233 -7.267 10.720 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.315 -5.793 8.490 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.078 -5.280 7.250 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.188 -4.304 6.475 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.570 -3.337 7.431 1.00 0.00 N ATOM 1120 CZ ARG A 240 -1.304 -2.562 8.176 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -2.587 -2.473 7.967 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.745 -1.832 9.096 1.00 0.00 N ATOM 0 H ARG A 240 -3.344 -6.232 10.059 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.988 -7.779 8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.453 -5.097 9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.247 -5.825 8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.362 -6.117 6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -3.000 -4.785 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -0.412 -4.849 5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -1.777 -3.770 5.729 1.00 0.00 H new ATOM 0 HE ARG A 240 0.446 -3.283 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -3.020 -3.012 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -3.158 -1.864 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 240 0.265 -1.868 9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -1.317 -1.223 9.682 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.329 -9.049 9.435 1.00 0.00 N ATOM 1137 CA HIS A 241 0.745 -9.734 10.203 1.00 0.00 C ATOM 1138 C HIS A 241 2.071 -9.212 9.656 1.00 0.00 C ATOM 1139 O HIS A 241 3.124 -9.433 10.212 1.00 0.00 O ATOM 1140 CB HIS A 241 0.649 -11.246 9.971 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.728 -11.724 10.345 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.047 -12.190 11.614 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.889 -11.808 9.615 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.353 -12.529 11.605 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.911 -12.315 10.413 1.00 0.00 N ATOM 0 H HIS A 241 -0.709 -9.584 8.654 1.00 0.00 H new ATOM 0 HA HIS A 241 0.657 -9.542 11.272 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.855 -11.478 8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.400 -11.765 10.567 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.993 -11.524 8.578 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.882 -12.925 12.459 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.880 -12.486 10.143 1.00 0.00 H new ATOM 1153 N TYR A 242 1.998 -8.513 8.554 1.00 0.00 N ATOM 1154 CA TYR A 242 3.218 -7.941 7.902 1.00 0.00 C ATOM 1155 C TYR A 242 3.210 -6.411 8.045 1.00 0.00 C ATOM 1156 O TYR A 242 2.254 -5.755 7.690 1.00 0.00 O ATOM 1157 CB TYR A 242 3.176 -8.311 6.415 1.00 0.00 C ATOM 1158 CG TYR A 242 4.248 -7.559 5.663 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.566 -8.000 5.700 1.00 0.00 C ATOM 1160 CD2 TYR A 242 3.914 -6.415 4.930 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.557 -7.297 5.005 1.00 0.00 C ATOM 1162 CE2 TYR A 242 4.899 -5.713 4.236 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.223 -6.152 4.272 1.00 0.00 C ATOM 1164 OH TYR A 242 7.201 -5.459 3.589 1.00 0.00 O ATOM 0 H TYR A 242 1.126 -8.309 8.066 1.00 0.00 H new ATOM 0 HA TYR A 242 4.119 -8.337 8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.322 -9.385 6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.196 -8.074 6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.825 -8.884 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 242 2.890 -6.074 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.581 -7.639 5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.637 -4.830 3.671 1.00 0.00 H new ATOM 0 HH TYR A 242 6.796 -4.700 3.119 1.00 0.00 H new ATOM 1174 N GLN A 243 4.278 -5.839 8.545 1.00 0.00 N ATOM 1175 CA GLN A 243 4.348 -4.351 8.699 1.00 0.00 C ATOM 1176 C GLN A 243 5.743 -3.972 9.181 1.00 0.00 C ATOM 1177 O GLN A 243 6.409 -4.752 9.832 1.00 0.00 O ATOM 1178 CB GLN A 243 3.305 -3.868 9.717 1.00 0.00 C ATOM 1179 CG GLN A 243 3.532 -4.535 11.078 1.00 0.00 C ATOM 1180 CD GLN A 243 2.375 -4.168 12.010 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.366 -3.103 12.601 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.380 -4.999 12.156 1.00 0.00 N ATOM 0 H GLN A 243 5.110 -6.342 8.855 1.00 0.00 H new ATOM 0 HA GLN A 243 4.140 -3.879 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.366 -2.785 9.822 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.303 -4.098 9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.593 -5.617 10.962 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.479 -4.206 11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.384 -5.892 11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.598 -4.756 12.764 1.00 0.00 H new TER 1191 GLN A 243