USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 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= -0.932! C(o=-1.2!,f=-1.2!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.236 USER MOD Set 2.1: A 181 GLN : amide:sc= -6.1! C(o=-5.7!,f=-4!) USER MOD Set 2.2: A 242 TYR OH : rot 129:sc= 0.357 USER MOD Single : A 180 LYS NZ :NH3+ -155:sc= -0.0884 (180deg=-0.655) USER MOD Single : A 182 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.23) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 SER OG : rot -45:sc= 0.356 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 194 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.1) USER MOD Single : A 195 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 75:sc= 0.207 USER MOD Single : A 198 ASN : amide:sc= -3.69! C(o=-3.7!,f=-15!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 38:sc= 0.357 USER MOD Single : A 207 LYS NZ :NH3+ 161:sc= -0.0592 (180deg=-0.45) USER MOD Single : A 208 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.9!) USER MOD Single : A 212 TYR OH : rot 54:sc= 0.849 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ -156:sc= -0.0669 (180deg=-0.613) USER MOD Single : A 223 GLN : amide:sc= -16.1! C(o=-16!,f=-2.1!) USER MOD Single : A 226 LYS NZ :NH3+ 153:sc= -0.187 (180deg=-0.914) USER MOD Single : A 229 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 236 LYS NZ :NH3+ -174:sc= -1.3 (180deg=-1.34) USER MOD Single : A 239 TYR OH : rot -15:sc= 0.0841 USER MOD Single : A 241 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 243 GLN : amide:sc= -0.946 K(o=-0.95,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 3.320 -13.783 -10.788 1.00 0.00 N ATOM 2 CA ARG A 175 2.994 -12.802 -11.861 1.00 0.00 C ATOM 3 C ARG A 175 3.327 -11.386 -11.379 1.00 0.00 C ATOM 4 O ARG A 175 4.429 -11.112 -10.947 1.00 0.00 O ATOM 5 CB ARG A 175 1.501 -12.901 -12.205 1.00 0.00 C ATOM 6 CG ARG A 175 0.666 -12.834 -10.918 1.00 0.00 C ATOM 7 CD ARG A 175 -0.778 -12.447 -11.253 1.00 0.00 C ATOM 8 NE ARG A 175 -1.622 -12.606 -10.036 1.00 0.00 N ATOM 9 CZ ARG A 175 -2.813 -12.072 -9.989 1.00 0.00 C ATOM 10 NH1 ARG A 175 -3.251 -11.355 -10.989 1.00 0.00 N ATOM 11 NH2 ARG A 175 -3.562 -12.252 -8.936 1.00 0.00 N ATOM 0 HA ARG A 175 3.583 -13.023 -12.751 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.218 -12.090 -12.876 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.301 -13.834 -12.731 1.00 0.00 H new ATOM 0 HG2 ARG A 175 0.685 -13.799 -10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.097 -12.105 -10.232 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.818 -11.417 -11.606 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -1.158 -13.075 -12.059 1.00 0.00 H new ATOM 0 HE ARG A 175 -1.269 -13.133 -9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.662 -11.211 -11.810 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -4.182 -10.939 -10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -3.217 -12.808 -8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -4.493 -11.837 -8.895 1.00 0.00 H new ATOM 25 N ALA A 176 2.383 -10.486 -11.450 1.00 0.00 N ATOM 26 CA ALA A 176 2.638 -9.093 -10.997 1.00 0.00 C ATOM 27 C ALA A 176 2.574 -9.035 -9.470 1.00 0.00 C ATOM 28 O ALA A 176 2.573 -7.972 -8.881 1.00 0.00 O ATOM 29 CB ALA A 176 1.569 -8.164 -11.581 1.00 0.00 C ATOM 0 H ALA A 176 1.442 -10.659 -11.804 1.00 0.00 H new ATOM 0 HA ALA A 176 3.625 -8.776 -11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.755 -7.142 -11.250 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.607 -8.205 -12.670 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.584 -8.483 -11.240 1.00 0.00 H new ATOM 35 N ARG A 177 2.510 -10.167 -8.821 1.00 0.00 N ATOM 36 CA ARG A 177 2.437 -10.152 -7.334 1.00 0.00 C ATOM 37 C ARG A 177 3.778 -9.717 -6.757 1.00 0.00 C ATOM 38 O ARG A 177 3.887 -9.394 -5.592 1.00 0.00 O ATOM 39 CB ARG A 177 2.093 -11.539 -6.794 1.00 0.00 C ATOM 40 CG ARG A 177 2.063 -11.484 -5.261 1.00 0.00 C ATOM 41 CD ARG A 177 1.287 -12.682 -4.712 1.00 0.00 C ATOM 42 NE ARG A 177 1.281 -12.632 -3.222 1.00 0.00 N ATOM 43 CZ ARG A 177 0.423 -13.348 -2.550 1.00 0.00 C ATOM 44 NH1 ARG A 177 -0.455 -14.074 -3.185 1.00 0.00 N ATOM 45 NH2 ARG A 177 0.432 -13.326 -1.246 1.00 0.00 N ATOM 0 H ARG A 177 2.505 -11.091 -9.252 1.00 0.00 H new ATOM 0 HA ARG A 177 1.656 -9.451 -7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.126 -11.864 -7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 177 2.831 -12.268 -7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.080 -11.488 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.597 -10.556 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 177 0.265 -12.671 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.743 -13.611 -5.053 1.00 0.00 H new ATOM 0 HE ARG A 177 1.948 -12.038 -2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -0.469 -14.081 -4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -1.127 -14.635 -2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 177 1.111 -12.748 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -0.240 -13.887 -0.722 1.00 0.00 H new ATOM 59 N ALA A 178 4.805 -9.687 -7.553 1.00 0.00 N ATOM 60 CA ALA A 178 6.109 -9.243 -7.012 1.00 0.00 C ATOM 61 C ALA A 178 5.967 -7.769 -6.669 1.00 0.00 C ATOM 62 O ALA A 178 6.252 -7.333 -5.573 1.00 0.00 O ATOM 63 CB ALA A 178 7.197 -9.423 -8.067 1.00 0.00 C ATOM 0 H ALA A 178 4.798 -9.947 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 178 6.386 -9.826 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.154 -9.094 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.263 -10.475 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.952 -8.829 -8.947 1.00 0.00 H new ATOM 69 N ASP A 179 5.489 -7.005 -7.604 1.00 0.00 N ATOM 70 CA ASP A 179 5.281 -5.567 -7.351 1.00 0.00 C ATOM 71 C ASP A 179 4.291 -5.413 -6.200 1.00 0.00 C ATOM 72 O ASP A 179 4.423 -4.553 -5.361 1.00 0.00 O ATOM 73 CB ASP A 179 4.720 -4.907 -8.605 1.00 0.00 C ATOM 74 CG ASP A 179 5.813 -4.847 -9.673 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.968 -4.732 -9.300 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.477 -4.921 -10.844 1.00 0.00 O ATOM 0 H ASP A 179 5.233 -7.322 -8.539 1.00 0.00 H new ATOM 0 HA ASP A 179 6.227 -5.091 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.864 -5.471 -8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.365 -3.903 -8.374 1.00 0.00 H new ATOM 81 N LYS A 180 3.287 -6.240 -6.169 1.00 0.00 N ATOM 82 CA LYS A 180 2.269 -6.133 -5.092 1.00 0.00 C ATOM 83 C LYS A 180 2.938 -6.027 -3.719 1.00 0.00 C ATOM 84 O LYS A 180 2.754 -5.057 -3.015 1.00 0.00 O ATOM 85 CB LYS A 180 1.362 -7.368 -5.139 1.00 0.00 C ATOM 86 CG LYS A 180 0.350 -7.318 -3.996 1.00 0.00 C ATOM 87 CD LYS A 180 -0.774 -8.323 -4.263 1.00 0.00 C ATOM 88 CE LYS A 180 -1.706 -8.377 -3.053 1.00 0.00 C ATOM 89 NZ LYS A 180 -0.959 -8.925 -1.884 1.00 0.00 N ATOM 0 H LYS A 180 3.127 -6.987 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 180 1.677 -5.231 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 180 0.841 -7.410 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 180 1.963 -8.274 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 180 0.842 -7.549 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -0.061 -6.313 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -1.332 -8.033 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.355 -9.310 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -2.083 -7.380 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -2.571 -9.002 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -1.629 -9.356 -1.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -0.284 -9.645 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -0.443 -8.156 -1.410 1.00 0.00 H new ATOM 103 N GLN A 181 3.704 -7.003 -3.318 1.00 0.00 N ATOM 104 CA GLN A 181 4.346 -6.909 -1.969 1.00 0.00 C ATOM 105 C GLN A 181 5.322 -5.727 -1.949 1.00 0.00 C ATOM 106 O GLN A 181 5.370 -4.958 -1.008 1.00 0.00 O ATOM 107 CB GLN A 181 5.092 -8.213 -1.656 1.00 0.00 C ATOM 108 CG GLN A 181 5.288 -8.359 -0.138 1.00 0.00 C ATOM 109 CD GLN A 181 6.031 -7.151 0.442 1.00 0.00 C ATOM 110 OE1 GLN A 181 5.708 -6.682 1.514 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.016 -6.624 -0.222 1.00 0.00 N ATOM 0 H GLN A 181 3.913 -7.847 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 181 3.578 -6.752 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 181 4.530 -9.064 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.060 -8.217 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 181 4.318 -8.461 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.848 -9.270 0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 181 7.291 -7.015 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.515 -5.819 0.158 1.00 0.00 H new ATOM 120 N HIS A 182 6.103 -5.576 -2.977 1.00 0.00 N ATOM 121 CA HIS A 182 7.075 -4.454 -3.022 1.00 0.00 C ATOM 122 C HIS A 182 6.327 -3.125 -3.025 1.00 0.00 C ATOM 123 O HIS A 182 6.793 -2.129 -2.497 1.00 0.00 O ATOM 124 CB HIS A 182 7.900 -4.593 -4.291 1.00 0.00 C ATOM 125 CG HIS A 182 8.893 -3.480 -4.393 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.569 -2.967 -3.299 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.333 -2.774 -5.475 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.376 -1.988 -3.751 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.270 -1.829 -5.073 1.00 0.00 N ATOM 0 H HIS A 182 6.110 -6.186 -3.794 1.00 0.00 H new ATOM 0 HA HIS A 182 7.727 -4.481 -2.149 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.418 -5.552 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.244 -4.584 -5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 182 9.003 -2.927 -6.492 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.029 -1.403 -3.121 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.768 -1.160 -5.660 1.00 0.00 H new ATOM 137 N VAL A 183 5.165 -3.097 -3.605 1.00 0.00 N ATOM 138 CA VAL A 183 4.396 -1.834 -3.629 1.00 0.00 C ATOM 139 C VAL A 183 3.971 -1.496 -2.201 1.00 0.00 C ATOM 140 O VAL A 183 3.908 -0.347 -1.822 1.00 0.00 O ATOM 141 CB VAL A 183 3.170 -1.997 -4.535 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.262 -0.772 -4.377 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.623 -2.140 -6.019 1.00 0.00 C ATOM 0 H VAL A 183 4.718 -3.892 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 183 5.008 -1.023 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 183 2.621 -2.894 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.388 -0.882 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.941 -0.688 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.810 0.126 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.747 -2.255 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.175 -1.249 -6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.264 -3.016 -6.121 1.00 0.00 H new ATOM 153 N LEU A 184 3.698 -2.486 -1.392 1.00 0.00 N ATOM 154 CA LEU A 184 3.306 -2.185 0.010 1.00 0.00 C ATOM 155 C LEU A 184 4.425 -1.381 0.665 1.00 0.00 C ATOM 156 O LEU A 184 4.186 -0.399 1.337 1.00 0.00 O ATOM 157 CB LEU A 184 3.121 -3.492 0.780 1.00 0.00 C ATOM 158 CG LEU A 184 1.952 -4.298 0.195 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.921 -5.681 0.857 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.617 -3.574 0.461 1.00 0.00 C ATOM 0 H LEU A 184 3.729 -3.475 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 184 2.374 -1.620 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.037 -4.082 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.933 -3.278 1.832 1.00 0.00 H new ATOM 0 HG LEU A 184 2.088 -4.399 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.094 -6.262 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.860 -6.199 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.787 -5.567 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.203 -4.157 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.471 -3.464 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.638 -2.589 -0.005 1.00 0.00 H new ATOM 172 N ASP A 185 5.652 -1.779 0.456 1.00 0.00 N ATOM 173 CA ASP A 185 6.788 -1.026 1.060 1.00 0.00 C ATOM 174 C ASP A 185 6.638 0.453 0.712 1.00 0.00 C ATOM 175 O ASP A 185 6.859 1.320 1.536 1.00 0.00 O ATOM 176 CB ASP A 185 8.114 -1.554 0.502 1.00 0.00 C ATOM 177 CG ASP A 185 8.398 -2.945 1.078 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.899 -3.229 2.154 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.110 -3.699 0.435 1.00 0.00 O ATOM 0 H ASP A 185 5.915 -2.590 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 185 6.783 -1.155 2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.068 -1.602 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.925 -0.872 0.757 1.00 0.00 H new ATOM 184 N MET A 186 6.247 0.748 -0.497 1.00 0.00 N ATOM 185 CA MET A 186 6.064 2.176 -0.886 1.00 0.00 C ATOM 186 C MET A 186 4.935 2.779 -0.040 1.00 0.00 C ATOM 187 O MET A 186 4.976 3.934 0.334 1.00 0.00 O ATOM 188 CB MET A 186 5.700 2.260 -2.377 1.00 0.00 C ATOM 189 CG MET A 186 6.854 1.712 -3.222 1.00 0.00 C ATOM 190 SD MET A 186 8.250 2.862 -3.157 1.00 0.00 S ATOM 191 CE MET A 186 9.218 2.126 -4.499 1.00 0.00 C ATOM 0 H MET A 186 6.047 0.067 -1.229 1.00 0.00 H new ATOM 0 HA MET A 186 6.987 2.730 -0.715 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.791 1.690 -2.572 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.493 3.294 -2.653 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.158 0.733 -2.850 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.530 1.575 -4.254 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.141 2.690 -4.634 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.458 1.092 -4.250 1.00 0.00 H new ATOM 0 HE3 MET A 186 8.639 2.152 -5.422 1.00 0.00 H new ATOM 201 N LEU A 187 3.927 2.000 0.265 1.00 0.00 N ATOM 202 CA LEU A 187 2.796 2.524 1.089 1.00 0.00 C ATOM 203 C LEU A 187 3.290 2.842 2.500 1.00 0.00 C ATOM 204 O LEU A 187 2.989 3.884 3.052 1.00 0.00 O ATOM 205 CB LEU A 187 1.694 1.465 1.188 1.00 0.00 C ATOM 206 CG LEU A 187 1.224 1.041 -0.206 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.065 0.055 -0.054 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.758 2.265 -1.005 1.00 0.00 C ATOM 0 H LEU A 187 3.839 1.025 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 187 2.406 3.426 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.065 0.596 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.852 1.861 1.756 1.00 0.00 H new ATOM 0 HG LEU A 187 2.049 0.571 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.280 -0.256 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.401 -0.818 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.753 0.535 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.427 1.949 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.068 2.748 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.584 2.969 -1.107 1.00 0.00 H new ATOM 220 N PHE A 188 4.050 1.961 3.092 1.00 0.00 N ATOM 221 CA PHE A 188 4.551 2.237 4.462 1.00 0.00 C ATOM 222 C PHE A 188 5.359 3.527 4.440 1.00 0.00 C ATOM 223 O PHE A 188 5.208 4.369 5.297 1.00 0.00 O ATOM 224 CB PHE A 188 5.415 1.068 4.960 1.00 0.00 C ATOM 225 CG PHE A 188 4.520 -0.043 5.471 1.00 0.00 C ATOM 226 CD1 PHE A 188 4.033 -1.025 4.600 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.172 -0.080 6.826 1.00 0.00 C ATOM 228 CE1 PHE A 188 3.199 -2.042 5.086 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.342 -1.095 7.311 1.00 0.00 C ATOM 230 CZ PHE A 188 2.855 -2.076 6.441 1.00 0.00 C ATOM 0 H PHE A 188 4.342 1.071 2.688 1.00 0.00 H new ATOM 0 HA PHE A 188 3.709 2.348 5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 188 6.045 0.698 4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 188 6.081 1.407 5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 188 4.300 -0.999 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.546 0.678 7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.822 -2.799 4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.077 -1.122 8.358 1.00 0.00 H new ATOM 0 HZ PHE A 188 2.213 -2.860 6.816 1.00 0.00 H new ATOM 240 N SER A 189 6.194 3.709 3.459 1.00 0.00 N ATOM 241 CA SER A 189 6.981 4.968 3.400 1.00 0.00 C ATOM 242 C SER A 189 5.993 6.131 3.303 1.00 0.00 C ATOM 243 O SER A 189 6.114 7.137 3.981 1.00 0.00 O ATOM 244 CB SER A 189 7.881 4.947 2.165 1.00 0.00 C ATOM 245 OG SER A 189 7.073 4.929 0.996 1.00 0.00 O ATOM 0 H SER A 189 6.365 3.047 2.702 1.00 0.00 H new ATOM 0 HA SER A 189 7.606 5.075 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.530 5.823 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.528 4.070 2.187 1.00 0.00 H new ATOM 0 HG SER A 189 6.353 4.273 1.106 1.00 0.00 H new ATOM 251 N ALA A 190 4.998 5.983 2.477 1.00 0.00 N ATOM 252 CA ALA A 190 3.978 7.052 2.343 1.00 0.00 C ATOM 253 C ALA A 190 3.231 7.186 3.669 1.00 0.00 C ATOM 254 O ALA A 190 3.123 8.260 4.222 1.00 0.00 O ATOM 255 CB ALA A 190 3.000 6.691 1.224 1.00 0.00 C ATOM 0 H ALA A 190 4.848 5.164 1.888 1.00 0.00 H new ATOM 0 HA ALA A 190 4.458 7.999 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.252 7.477 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.543 6.590 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.507 5.748 1.462 1.00 0.00 H new ATOM 261 N PHE A 191 2.729 6.096 4.195 1.00 0.00 N ATOM 262 CA PHE A 191 1.998 6.162 5.491 1.00 0.00 C ATOM 263 C PHE A 191 2.972 6.527 6.617 1.00 0.00 C ATOM 264 O PHE A 191 2.567 6.955 7.681 1.00 0.00 O ATOM 265 CB PHE A 191 1.319 4.815 5.787 1.00 0.00 C ATOM 266 CG PHE A 191 0.051 4.701 4.963 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.058 5.499 5.279 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.013 3.811 3.885 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.227 5.403 4.518 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.181 3.716 3.123 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.289 4.512 3.439 1.00 0.00 C ATOM 0 H PHE A 191 2.795 5.166 3.781 1.00 0.00 H new ATOM 0 HA PHE A 191 1.227 6.930 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.995 3.994 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 191 1.085 4.738 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.009 6.187 6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.841 3.197 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.082 6.016 4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.229 3.029 2.291 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.192 4.439 2.851 1.00 0.00 H new ATOM 281 N GLU A 192 4.253 6.379 6.394 1.00 0.00 N ATOM 282 CA GLU A 192 5.240 6.740 7.456 1.00 0.00 C ATOM 283 C GLU A 192 5.220 8.257 7.661 1.00 0.00 C ATOM 284 O GLU A 192 5.455 8.745 8.748 1.00 0.00 O ATOM 285 CB GLU A 192 6.653 6.298 7.035 1.00 0.00 C ATOM 286 CG GLU A 192 7.656 6.601 8.152 1.00 0.00 C ATOM 287 CD GLU A 192 9.057 6.162 7.711 1.00 0.00 C ATOM 288 OE1 GLU A 192 9.152 5.438 6.733 1.00 0.00 O ATOM 289 OE2 GLU A 192 10.012 6.558 8.359 1.00 0.00 O ATOM 0 H GLU A 192 4.657 6.025 5.527 1.00 0.00 H new ATOM 0 HA GLU A 192 4.973 6.235 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.657 5.231 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.947 6.816 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.652 7.667 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 192 7.370 6.078 9.065 1.00 0.00 H new ATOM 296 N LYS A 193 4.956 9.012 6.622 1.00 0.00 N ATOM 297 CA LYS A 193 4.937 10.500 6.770 1.00 0.00 C ATOM 298 C LYS A 193 3.549 10.985 7.212 1.00 0.00 C ATOM 299 O LYS A 193 3.423 12.006 7.857 1.00 0.00 O ATOM 300 CB LYS A 193 5.289 11.151 5.433 1.00 0.00 C ATOM 301 CG LYS A 193 6.764 10.909 5.112 1.00 0.00 C ATOM 302 CD LYS A 193 7.084 11.479 3.730 1.00 0.00 C ATOM 303 CE LYS A 193 8.573 11.297 3.437 1.00 0.00 C ATOM 304 NZ LYS A 193 8.884 11.830 2.080 1.00 0.00 N ATOM 0 H LYS A 193 4.754 8.665 5.684 1.00 0.00 H new ATOM 0 HA LYS A 193 5.668 10.780 7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.663 10.739 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.087 12.221 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.394 11.381 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.982 9.841 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.488 10.974 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.821 12.536 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.168 11.817 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.839 10.241 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 9.897 11.706 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.326 11.315 1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.645 12.842 2.041 1.00 0.00 H new ATOM 318 N HIS A 194 2.501 10.272 6.879 1.00 0.00 N ATOM 319 CA HIS A 194 1.132 10.720 7.300 1.00 0.00 C ATOM 320 C HIS A 194 0.191 9.515 7.432 1.00 0.00 C ATOM 321 O HIS A 194 0.314 8.529 6.747 1.00 0.00 O ATOM 322 CB HIS A 194 0.560 11.707 6.269 1.00 0.00 C ATOM 323 CG HIS A 194 1.225 13.046 6.422 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.898 13.667 5.380 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.324 13.895 7.493 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.368 14.841 5.845 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.045 15.028 7.129 1.00 0.00 N ATOM 0 H HIS A 194 2.530 9.407 6.339 1.00 0.00 H new ATOM 0 HA HIS A 194 1.214 11.214 8.268 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.718 11.325 5.260 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.517 11.808 6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.906 13.712 8.472 1.00 0.00 H new ATOM 0 HE1 HIS A 194 2.936 15.544 5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.277 15.829 7.716 1.00 0.00 H new ATOM 335 N GLN A 195 -0.745 9.588 8.325 1.00 0.00 N ATOM 336 CA GLN A 195 -1.695 8.454 8.519 1.00 0.00 C ATOM 337 C GLN A 195 -2.630 8.295 7.309 1.00 0.00 C ATOM 338 O GLN A 195 -3.130 7.219 7.050 1.00 0.00 O ATOM 339 CB GLN A 195 -2.532 8.719 9.774 1.00 0.00 C ATOM 340 CG GLN A 195 -3.384 7.491 10.110 1.00 0.00 C ATOM 341 CD GLN A 195 -2.472 6.348 10.556 1.00 0.00 C ATOM 342 OE1 GLN A 195 -1.916 6.384 11.636 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.290 5.330 9.762 1.00 0.00 N ATOM 0 H GLN A 195 -0.899 10.389 8.937 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.121 7.534 8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.878 8.957 10.613 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.175 9.585 9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.095 7.733 10.900 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -3.965 7.189 9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.757 5.300 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.681 4.563 10.047 1.00 0.00 H new ATOM 352 N TYR A 196 -2.923 9.365 6.605 1.00 0.00 N ATOM 353 CA TYR A 196 -3.892 9.281 5.455 1.00 0.00 C ATOM 354 C TYR A 196 -3.246 9.650 4.110 1.00 0.00 C ATOM 355 O TYR A 196 -2.360 10.477 4.029 1.00 0.00 O ATOM 356 CB TYR A 196 -5.030 10.262 5.725 1.00 0.00 C ATOM 357 CG TYR A 196 -5.777 9.853 6.973 1.00 0.00 C ATOM 358 CD1 TYR A 196 -5.367 10.326 8.224 1.00 0.00 C ATOM 359 CD2 TYR A 196 -6.889 9.011 6.876 1.00 0.00 C ATOM 360 CE1 TYR A 196 -6.073 9.955 9.377 1.00 0.00 C ATOM 361 CE2 TYR A 196 -7.591 8.644 8.023 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.187 9.115 9.274 1.00 0.00 C ATOM 363 OH TYR A 196 -7.882 8.744 10.407 1.00 0.00 O ATOM 0 H TYR A 196 -2.535 10.293 6.774 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.241 8.251 5.383 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.632 11.270 5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.711 10.285 4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -4.508 10.976 8.302 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -7.205 8.644 5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -5.757 10.317 10.344 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -8.450 7.994 7.944 1.00 0.00 H new ATOM 0 HH TYR A 196 -8.628 8.160 10.157 1.00 0.00 H new ATOM 373 N TYR A 197 -3.734 9.047 3.049 1.00 0.00 N ATOM 374 CA TYR A 197 -3.227 9.342 1.668 1.00 0.00 C ATOM 375 C TYR A 197 -4.373 9.166 0.661 1.00 0.00 C ATOM 376 O TYR A 197 -5.045 8.154 0.651 1.00 0.00 O ATOM 377 CB TYR A 197 -2.063 8.395 1.303 1.00 0.00 C ATOM 378 CG TYR A 197 -0.761 8.940 1.842 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.417 8.764 3.185 1.00 0.00 C ATOM 380 CD2 TYR A 197 0.104 9.633 0.982 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.787 9.285 3.668 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.310 10.148 1.468 1.00 0.00 C ATOM 383 CZ TYR A 197 1.650 9.976 2.810 1.00 0.00 C ATOM 384 OH TYR A 197 2.830 10.493 3.290 1.00 0.00 O ATOM 0 H TYR A 197 -4.477 8.349 3.084 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.860 10.368 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.249 7.403 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.000 8.285 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.079 8.227 3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.162 9.769 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 197 1.052 9.154 4.707 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.977 10.678 0.805 1.00 0.00 H new ATOM 0 HH TYR A 197 3.472 9.766 3.432 1.00 0.00 H new ATOM 394 N ASN A 198 -4.598 10.133 -0.194 1.00 0.00 N ATOM 395 CA ASN A 198 -5.695 10.000 -1.202 1.00 0.00 C ATOM 396 C ASN A 198 -5.139 9.340 -2.471 1.00 0.00 C ATOM 397 O ASN A 198 -3.944 9.265 -2.669 1.00 0.00 O ATOM 398 CB ASN A 198 -6.283 11.379 -1.532 1.00 0.00 C ATOM 399 CG ASN A 198 -5.293 12.208 -2.343 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.099 12.005 -2.265 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.751 13.143 -3.131 1.00 0.00 N ATOM 0 H ASN A 198 -4.072 11.006 -0.238 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.490 9.378 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.210 11.260 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.534 11.903 -0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.105 13.706 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.755 13.310 -3.194 1.00 0.00 H new ATOM 408 N LEU A 199 -5.997 8.847 -3.325 1.00 0.00 N ATOM 409 CA LEU A 199 -5.520 8.171 -4.570 1.00 0.00 C ATOM 410 C LEU A 199 -4.556 9.077 -5.351 1.00 0.00 C ATOM 411 O LEU A 199 -3.567 8.619 -5.889 1.00 0.00 O ATOM 412 CB LEU A 199 -6.719 7.865 -5.471 1.00 0.00 C ATOM 413 CG LEU A 199 -7.661 6.861 -4.794 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.902 6.682 -5.671 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.953 5.502 -4.610 1.00 0.00 C ATOM 0 H LEU A 199 -7.010 8.883 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.003 7.255 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.259 8.786 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.372 7.462 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.948 7.237 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.580 5.970 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.406 7.641 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.604 6.307 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.633 4.800 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.657 5.111 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.068 5.634 -3.988 1.00 0.00 H new ATOM 427 N LYS A 200 -4.849 10.348 -5.450 1.00 0.00 N ATOM 428 CA LYS A 200 -3.959 11.264 -6.232 1.00 0.00 C ATOM 429 C LYS A 200 -2.545 11.281 -5.653 1.00 0.00 C ATOM 430 O LYS A 200 -1.569 11.309 -6.370 1.00 0.00 O ATOM 431 CB LYS A 200 -4.537 12.684 -6.213 1.00 0.00 C ATOM 432 CG LYS A 200 -3.698 13.616 -7.109 1.00 0.00 C ATOM 433 CD LYS A 200 -3.775 13.143 -8.576 1.00 0.00 C ATOM 434 CE LYS A 200 -3.556 14.318 -9.539 1.00 0.00 C ATOM 435 NZ LYS A 200 -2.135 14.766 -9.472 1.00 0.00 N ATOM 0 H LYS A 200 -5.663 10.792 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.907 10.898 -7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.570 12.668 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.550 13.065 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -4.064 14.639 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.661 13.621 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -3.023 12.375 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -4.747 12.688 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -3.805 14.018 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -4.220 15.142 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -1.991 15.562 -10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -1.912 15.069 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -1.510 13.979 -9.741 1.00 0.00 H new ATOM 449 N ASP A 201 -2.418 11.293 -4.364 1.00 0.00 N ATOM 450 CA ASP A 201 -1.058 11.333 -3.765 1.00 0.00 C ATOM 451 C ASP A 201 -0.347 10.002 -4.003 1.00 0.00 C ATOM 452 O ASP A 201 0.837 9.957 -4.259 1.00 0.00 O ATOM 453 CB ASP A 201 -1.179 11.567 -2.263 1.00 0.00 C ATOM 454 CG ASP A 201 -1.674 12.989 -1.997 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.645 13.790 -2.917 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.082 13.248 -0.878 1.00 0.00 O ATOM 0 H ASP A 201 -3.191 11.277 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.486 12.138 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -1.870 10.845 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.213 11.413 -1.783 1.00 0.00 H new ATOM 461 N LEU A 202 -1.062 8.917 -3.904 1.00 0.00 N ATOM 462 CA LEU A 202 -0.427 7.582 -4.098 1.00 0.00 C ATOM 463 C LEU A 202 0.183 7.481 -5.502 1.00 0.00 C ATOM 464 O LEU A 202 1.264 6.952 -5.673 1.00 0.00 O ATOM 465 CB LEU A 202 -1.489 6.481 -3.915 1.00 0.00 C ATOM 466 CG LEU A 202 -1.818 6.270 -2.418 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.209 5.627 -2.286 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.784 5.331 -1.769 1.00 0.00 C ATOM 0 H LEU A 202 -2.061 8.896 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 202 0.366 7.455 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.396 6.752 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.128 5.547 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 202 -1.796 7.238 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.442 5.478 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.957 6.282 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -3.215 4.665 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.029 5.192 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.800 4.366 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.210 5.769 -1.856 1.00 0.00 H new ATOM 480 N VAL A 203 -0.481 7.978 -6.512 1.00 0.00 N ATOM 481 CA VAL A 203 0.112 7.882 -7.877 1.00 0.00 C ATOM 482 C VAL A 203 1.391 8.724 -7.954 1.00 0.00 C ATOM 483 O VAL A 203 2.371 8.322 -8.552 1.00 0.00 O ATOM 484 CB VAL A 203 -0.891 8.326 -8.946 1.00 0.00 C ATOM 485 CG1 VAL A 203 -1.981 7.268 -9.100 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.537 9.640 -8.537 1.00 0.00 C ATOM 0 H VAL A 203 -1.390 8.437 -6.454 1.00 0.00 H new ATOM 0 HA VAL A 203 0.364 6.839 -8.070 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.363 8.455 -9.891 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.693 7.587 -9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.530 6.322 -9.399 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.499 7.139 -8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.249 9.949 -9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.058 9.510 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.768 10.405 -8.427 1.00 0.00 H new ATOM 496 N ASP A 204 1.406 9.879 -7.349 1.00 0.00 N ATOM 497 CA ASP A 204 2.639 10.710 -7.399 1.00 0.00 C ATOM 498 C ASP A 204 3.796 9.870 -6.844 1.00 0.00 C ATOM 499 O ASP A 204 4.887 9.864 -7.377 1.00 0.00 O ATOM 500 CB ASP A 204 2.441 11.976 -6.550 1.00 0.00 C ATOM 501 CG ASP A 204 3.565 12.978 -6.830 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.516 12.605 -7.497 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.454 14.107 -6.374 1.00 0.00 O ATOM 0 H ASP A 204 0.626 10.280 -6.828 1.00 0.00 H new ATOM 0 HA ASP A 204 2.858 11.015 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.475 12.428 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.431 11.716 -5.492 1.00 0.00 H new ATOM 508 N ILE A 205 3.553 9.142 -5.787 1.00 0.00 N ATOM 509 CA ILE A 205 4.618 8.274 -5.197 1.00 0.00 C ATOM 510 C ILE A 205 4.918 7.116 -6.160 1.00 0.00 C ATOM 511 O ILE A 205 6.007 6.578 -6.180 1.00 0.00 O ATOM 512 CB ILE A 205 4.133 7.713 -3.849 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.731 8.880 -2.939 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.254 6.909 -3.174 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.410 8.368 -1.528 1.00 0.00 C ATOM 0 H ILE A 205 2.656 9.110 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 205 5.524 8.860 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 205 3.280 7.057 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.539 9.610 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.863 9.392 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.898 6.518 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.547 6.081 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.113 7.557 -3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.126 9.207 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.586 7.656 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.289 7.877 -1.110 1.00 0.00 H new ATOM 527 N THR A 206 3.951 6.715 -6.946 1.00 0.00 N ATOM 528 CA THR A 206 4.166 5.579 -7.894 1.00 0.00 C ATOM 529 C THR A 206 3.259 5.750 -9.114 1.00 0.00 C ATOM 530 O THR A 206 2.058 5.751 -9.005 1.00 0.00 O ATOM 531 CB THR A 206 3.803 4.273 -7.187 1.00 0.00 C ATOM 532 OG1 THR A 206 2.540 4.426 -6.551 1.00 0.00 O ATOM 533 CG2 THR A 206 4.863 3.932 -6.138 1.00 0.00 C ATOM 0 H THR A 206 3.018 7.127 -6.972 1.00 0.00 H new ATOM 0 HA THR A 206 5.208 5.560 -8.214 1.00 0.00 H new ATOM 0 HB THR A 206 3.757 3.466 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.950 4.962 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.595 3.000 -5.640 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.832 3.819 -6.624 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.918 4.734 -5.402 1.00 0.00 H new ATOM 541 N LYS A 207 3.821 5.884 -10.277 1.00 0.00 N ATOM 542 CA LYS A 207 2.976 6.058 -11.490 1.00 0.00 C ATOM 543 C LYS A 207 2.375 4.713 -11.910 1.00 0.00 C ATOM 544 O LYS A 207 2.150 4.466 -13.078 1.00 0.00 O ATOM 545 CB LYS A 207 3.826 6.613 -12.632 1.00 0.00 C ATOM 546 CG LYS A 207 4.381 7.986 -12.246 1.00 0.00 C ATOM 547 CD LYS A 207 5.043 8.622 -13.471 1.00 0.00 C ATOM 548 CE LYS A 207 5.645 9.976 -13.095 1.00 0.00 C ATOM 549 NZ LYS A 207 6.758 9.777 -12.126 1.00 0.00 N ATOM 0 H LYS A 207 4.827 5.881 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 207 2.169 6.755 -11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.645 5.929 -12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.225 6.695 -13.538 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.579 8.626 -11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.105 7.885 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 207 5.821 7.963 -13.857 1.00 0.00 H new ATOM 0 HD3 LYS A 207 4.309 8.749 -14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 207 6.013 10.482 -13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 207 4.879 10.617 -12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 7.364 10.622 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 6.367 9.620 -11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 7.321 8.950 -12.410 1.00 0.00 H new ATOM 563 N GLN A 208 2.104 3.839 -10.971 1.00 0.00 N ATOM 564 CA GLN A 208 1.508 2.518 -11.339 1.00 0.00 C ATOM 565 C GLN A 208 -0.014 2.697 -11.504 1.00 0.00 C ATOM 566 O GLN A 208 -0.615 3.489 -10.806 1.00 0.00 O ATOM 567 CB GLN A 208 1.765 1.498 -10.220 1.00 0.00 C ATOM 568 CG GLN A 208 3.268 1.228 -10.083 1.00 0.00 C ATOM 569 CD GLN A 208 3.525 0.427 -8.805 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.899 -0.730 -8.861 1.00 0.00 O ATOM 571 NE2 GLN A 208 3.332 0.996 -7.646 1.00 0.00 N ATOM 0 H GLN A 208 2.268 3.982 -9.974 1.00 0.00 H new ATOM 0 HA GLN A 208 1.958 2.160 -12.265 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.369 1.874 -9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.240 0.568 -10.438 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.630 0.676 -10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.817 2.169 -10.052 1.00 0.00 H new ATOM 0 HE21 GLN A 208 3.019 1.966 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 208 3.495 0.471 -6.787 1.00 0.00 H new ATOM 580 N PRO A 209 -0.648 1.970 -12.403 1.00 0.00 N ATOM 581 CA PRO A 209 -2.125 2.079 -12.613 1.00 0.00 C ATOM 582 C PRO A 209 -2.910 2.149 -11.292 1.00 0.00 C ATOM 583 O PRO A 209 -2.718 1.344 -10.405 1.00 0.00 O ATOM 584 CB PRO A 209 -2.466 0.791 -13.370 1.00 0.00 C ATOM 585 CG PRO A 209 -1.235 0.473 -14.155 1.00 0.00 C ATOM 586 CD PRO A 209 -0.046 0.980 -13.323 1.00 0.00 C ATOM 0 HA PRO A 209 -2.393 2.992 -13.145 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.717 -0.017 -12.683 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.327 0.932 -14.024 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.155 -0.599 -14.334 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.261 0.958 -15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.434 0.168 -12.777 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.718 1.435 -13.954 1.00 0.00 H new ATOM 594 N VAL A 210 -3.803 3.097 -11.165 1.00 0.00 N ATOM 595 CA VAL A 210 -4.601 3.200 -9.916 1.00 0.00 C ATOM 596 C VAL A 210 -5.377 1.899 -9.718 1.00 0.00 C ATOM 597 O VAL A 210 -5.438 1.354 -8.635 1.00 0.00 O ATOM 598 CB VAL A 210 -5.579 4.374 -10.026 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.790 5.665 -10.225 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.523 4.159 -11.216 1.00 0.00 C ATOM 0 H VAL A 210 -4.011 3.801 -11.873 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.940 3.368 -9.066 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.170 4.440 -9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.480 6.505 -10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.126 5.820 -9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.200 5.593 -11.138 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.215 4.998 -11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.940 4.090 -12.135 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.085 3.236 -11.073 1.00 0.00 H new ATOM 610 N VAL A 211 -5.964 1.403 -10.765 1.00 0.00 N ATOM 611 CA VAL A 211 -6.746 0.143 -10.667 1.00 0.00 C ATOM 612 C VAL A 211 -5.893 -0.921 -9.996 1.00 0.00 C ATOM 613 O VAL A 211 -6.369 -1.711 -9.207 1.00 0.00 O ATOM 614 CB VAL A 211 -7.125 -0.324 -12.070 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.111 -1.492 -11.976 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.761 0.835 -12.837 1.00 0.00 C ATOM 0 H VAL A 211 -5.936 1.820 -11.695 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.650 0.313 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 211 -6.231 -0.656 -12.597 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.380 -1.823 -12.979 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -7.648 -2.316 -11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -9.008 -1.169 -11.448 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -8.032 0.503 -13.839 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -8.655 1.172 -12.312 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -7.050 1.658 -12.908 1.00 0.00 H new ATOM 626 N TYR A 212 -4.631 -0.945 -10.300 1.00 0.00 N ATOM 627 CA TYR A 212 -3.746 -1.959 -9.670 1.00 0.00 C ATOM 628 C TYR A 212 -3.532 -1.576 -8.208 1.00 0.00 C ATOM 629 O TYR A 212 -3.580 -2.405 -7.319 1.00 0.00 O ATOM 630 CB TYR A 212 -2.415 -1.994 -10.419 1.00 0.00 C ATOM 631 CG TYR A 212 -1.518 -3.053 -9.826 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.700 -4.398 -10.174 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.496 -2.690 -8.943 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.858 -5.381 -9.638 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.344 -3.672 -8.404 1.00 0.00 C ATOM 636 CZ TYR A 212 0.163 -5.016 -8.752 1.00 0.00 C ATOM 637 OH TYR A 212 0.992 -5.982 -8.224 1.00 0.00 O ATOM 0 H TYR A 212 -4.174 -0.310 -10.954 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.199 -2.949 -9.717 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.588 -2.201 -11.475 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.929 -1.020 -10.361 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.490 -4.677 -10.856 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.355 -1.653 -8.677 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.996 -6.418 -9.907 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.132 -3.393 -7.720 1.00 0.00 H new ATOM 0 HH TYR A 212 1.388 -6.506 -8.951 1.00 0.00 H new ATOM 647 N LEU A 213 -3.317 -0.317 -7.952 1.00 0.00 N ATOM 648 CA LEU A 213 -3.125 0.136 -6.549 1.00 0.00 C ATOM 649 C LEU A 213 -4.430 -0.040 -5.780 1.00 0.00 C ATOM 650 O LEU A 213 -4.446 -0.486 -4.650 1.00 0.00 O ATOM 651 CB LEU A 213 -2.739 1.615 -6.537 1.00 0.00 C ATOM 652 CG LEU A 213 -1.335 1.800 -7.129 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.037 3.299 -7.236 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.280 1.122 -6.230 1.00 0.00 C ATOM 0 H LEU A 213 -3.266 0.419 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.335 -0.454 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.463 2.192 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.765 1.997 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.295 1.340 -8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.041 3.443 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.776 3.771 -7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.082 3.751 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.711 1.262 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.308 1.568 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.496 0.056 -6.155 1.00 0.00 H new ATOM 666 N LYS A 214 -5.526 0.326 -6.382 1.00 0.00 N ATOM 667 CA LYS A 214 -6.833 0.200 -5.683 1.00 0.00 C ATOM 668 C LYS A 214 -7.079 -1.258 -5.299 1.00 0.00 C ATOM 669 O LYS A 214 -7.582 -1.548 -4.234 1.00 0.00 O ATOM 670 CB LYS A 214 -7.964 0.678 -6.599 1.00 0.00 C ATOM 671 CG LYS A 214 -7.886 2.205 -6.784 1.00 0.00 C ATOM 672 CD LYS A 214 -9.237 2.746 -7.266 1.00 0.00 C ATOM 673 CE LYS A 214 -9.524 2.237 -8.680 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.762 2.889 -9.197 1.00 0.00 N ATOM 0 H LYS A 214 -5.573 0.707 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.810 0.815 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.892 0.182 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.929 0.404 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.610 2.680 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.108 2.453 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -10.029 2.429 -6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.227 3.836 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.682 2.457 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.646 1.154 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.960 2.545 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.562 2.657 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.628 3.920 -9.219 1.00 0.00 H new ATOM 688 N GLU A 215 -6.738 -2.181 -6.152 1.00 0.00 N ATOM 689 CA GLU A 215 -6.973 -3.614 -5.809 1.00 0.00 C ATOM 690 C GLU A 215 -6.162 -3.983 -4.573 1.00 0.00 C ATOM 691 O GLU A 215 -6.634 -4.679 -3.697 1.00 0.00 O ATOM 692 CB GLU A 215 -6.559 -4.505 -6.979 1.00 0.00 C ATOM 693 CG GLU A 215 -7.586 -4.375 -8.103 1.00 0.00 C ATOM 694 CD GLU A 215 -7.033 -5.025 -9.369 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.978 -5.631 -9.283 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.675 -4.913 -10.400 1.00 0.00 O ATOM 0 H GLU A 215 -6.311 -2.011 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.033 -3.763 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.571 -4.217 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.489 -5.543 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.522 -4.854 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.809 -3.324 -8.288 1.00 0.00 H new ATOM 703 N ILE A 216 -4.950 -3.522 -4.485 1.00 0.00 N ATOM 704 CA ILE A 216 -4.125 -3.849 -3.295 1.00 0.00 C ATOM 705 C ILE A 216 -4.714 -3.147 -2.078 1.00 0.00 C ATOM 706 O ILE A 216 -4.786 -3.698 -0.998 1.00 0.00 O ATOM 707 CB ILE A 216 -2.700 -3.359 -3.534 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.104 -4.131 -4.711 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.852 -3.578 -2.278 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.767 -3.509 -5.115 1.00 0.00 C ATOM 0 H ILE A 216 -4.496 -2.934 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.116 -4.925 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.711 -2.293 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.961 -5.176 -4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.793 -4.114 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.837 -3.225 -2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.286 -3.025 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.829 -4.640 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.347 -4.063 -5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.922 -2.470 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.077 -3.549 -4.272 1.00 0.00 H new ATOM 722 N LEU A 217 -5.143 -1.934 -2.249 1.00 0.00 N ATOM 723 CA LEU A 217 -5.736 -1.190 -1.110 1.00 0.00 C ATOM 724 C LEU A 217 -7.122 -1.759 -0.801 1.00 0.00 C ATOM 725 O LEU A 217 -7.573 -1.751 0.321 1.00 0.00 O ATOM 726 CB LEU A 217 -5.854 0.283 -1.482 1.00 0.00 C ATOM 727 CG LEU A 217 -4.455 0.864 -1.715 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.590 2.241 -2.364 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.690 0.983 -0.384 1.00 0.00 C ATOM 0 H LEU A 217 -5.109 -1.423 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.101 -1.292 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.460 0.395 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.359 0.831 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.895 0.199 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.599 2.662 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.111 2.145 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.156 2.900 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.699 1.397 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.237 1.640 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.592 -0.004 0.069 1.00 0.00 H new ATOM 741 N LYS A 218 -7.808 -2.252 -1.787 1.00 0.00 N ATOM 742 CA LYS A 218 -9.158 -2.813 -1.525 1.00 0.00 C ATOM 743 C LYS A 218 -9.043 -3.977 -0.530 1.00 0.00 C ATOM 744 O LYS A 218 -9.916 -4.191 0.289 1.00 0.00 O ATOM 745 CB LYS A 218 -9.772 -3.309 -2.835 1.00 0.00 C ATOM 746 CG LYS A 218 -11.235 -3.705 -2.598 1.00 0.00 C ATOM 747 CD LYS A 218 -11.907 -4.036 -3.934 1.00 0.00 C ATOM 748 CE LYS A 218 -13.326 -4.552 -3.678 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.256 -5.857 -2.960 1.00 0.00 N ATOM 0 H LYS A 218 -7.496 -2.292 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.798 -2.039 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.714 -2.529 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.210 -4.163 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.285 -4.567 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.766 -2.891 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.940 -3.149 -4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.326 -4.787 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.887 -3.828 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.857 -4.672 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.127 -6.397 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -12.438 -6.399 -3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -13.154 -5.687 -1.939 1.00 0.00 H new ATOM 763 N GLU A 219 -7.984 -4.745 -0.606 1.00 0.00 N ATOM 764 CA GLU A 219 -7.845 -5.905 0.326 1.00 0.00 C ATOM 765 C GLU A 219 -7.426 -5.447 1.733 1.00 0.00 C ATOM 766 O GLU A 219 -8.072 -5.783 2.706 1.00 0.00 O ATOM 767 CB GLU A 219 -6.794 -6.875 -0.225 1.00 0.00 C ATOM 768 CG GLU A 219 -7.310 -7.527 -1.514 1.00 0.00 C ATOM 769 CD GLU A 219 -8.517 -8.418 -1.202 1.00 0.00 C ATOM 770 OE1 GLU A 219 -8.380 -9.295 -0.364 1.00 0.00 O ATOM 771 OE2 GLU A 219 -9.557 -8.207 -1.804 1.00 0.00 O ATOM 0 H GLU A 219 -7.217 -4.620 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.814 -6.399 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.864 -6.343 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.570 -7.642 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.591 -6.758 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -6.519 -8.119 -1.974 1.00 0.00 H new ATOM 778 N ILE A 220 -6.348 -4.702 1.861 1.00 0.00 N ATOM 779 CA ILE A 220 -5.895 -4.252 3.225 1.00 0.00 C ATOM 780 C ILE A 220 -6.153 -2.758 3.423 1.00 0.00 C ATOM 781 O ILE A 220 -6.043 -2.247 4.518 1.00 0.00 O ATOM 782 CB ILE A 220 -4.390 -4.526 3.378 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.597 -3.779 2.293 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.128 -6.027 3.245 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.101 -3.834 2.608 1.00 0.00 C ATOM 0 H ILE A 220 -5.765 -4.387 1.086 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.460 -4.806 3.975 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.069 -4.177 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.788 -4.227 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.928 -2.742 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.061 -6.221 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.675 -6.562 4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.461 -6.369 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.547 -3.303 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.915 -3.366 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.774 -4.873 2.640 1.00 0.00 H new ATOM 797 N GLY A 221 -6.469 -2.048 2.378 1.00 0.00 N ATOM 798 CA GLY A 221 -6.699 -0.579 2.519 1.00 0.00 C ATOM 799 C GLY A 221 -8.125 -0.287 2.980 1.00 0.00 C ATOM 800 O GLY A 221 -8.938 -1.172 3.164 1.00 0.00 O ATOM 0 H GLY A 221 -6.578 -2.417 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -5.990 -0.164 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.514 -0.086 1.565 1.00 0.00 H new ATOM 804 N VAL A 222 -8.418 0.970 3.160 1.00 0.00 N ATOM 805 CA VAL A 222 -9.772 1.403 3.602 1.00 0.00 C ATOM 806 C VAL A 222 -10.090 2.683 2.841 1.00 0.00 C ATOM 807 O VAL A 222 -9.251 3.200 2.146 1.00 0.00 O ATOM 808 CB VAL A 222 -9.759 1.679 5.114 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.162 2.090 5.585 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.320 0.412 5.854 1.00 0.00 C ATOM 0 H VAL A 222 -7.758 1.734 3.015 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.519 0.634 3.405 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.062 2.490 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.144 2.284 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.473 2.993 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.867 1.286 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.309 0.603 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.018 -0.397 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.320 0.127 5.526 1.00 0.00 H new ATOM 820 N GLN A 223 -11.278 3.201 2.948 1.00 0.00 N ATOM 821 CA GLN A 223 -11.616 4.452 2.202 1.00 0.00 C ATOM 822 C GLN A 223 -12.517 5.320 3.071 1.00 0.00 C ATOM 823 O GLN A 223 -13.212 4.836 3.946 1.00 0.00 O ATOM 824 CB GLN A 223 -12.336 4.075 0.897 1.00 0.00 C ATOM 825 CG GLN A 223 -12.778 5.336 0.140 1.00 0.00 C ATOM 826 CD GLN A 223 -11.573 6.242 -0.132 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.699 5.897 -0.903 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.494 7.398 0.465 1.00 0.00 N ATOM 0 H GLN A 223 -12.032 2.817 3.517 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.710 5.008 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.673 3.480 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.204 3.455 1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.251 5.056 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.524 5.876 0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.227 7.689 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.699 8.012 0.285 1.00 0.00 H new ATOM 837 N ASN A 224 -12.499 6.605 2.850 1.00 0.00 N ATOM 838 CA ASN A 224 -13.339 7.516 3.666 1.00 0.00 C ATOM 839 C ASN A 224 -13.711 8.734 2.832 1.00 0.00 C ATOM 840 O ASN A 224 -12.865 9.523 2.444 1.00 0.00 O ATOM 841 CB ASN A 224 -12.544 7.986 4.891 1.00 0.00 C ATOM 842 CG ASN A 224 -11.700 6.836 5.430 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.114 6.119 6.320 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.514 6.634 4.922 1.00 0.00 N ATOM 0 H ASN A 224 -11.934 7.063 2.134 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.238 6.989 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.902 8.824 4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.225 8.343 5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.932 5.873 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.170 7.237 4.175 1.00 0.00 H new ATOM 851 N VAL A 225 -14.974 8.902 2.582 1.00 0.00 N ATOM 852 CA VAL A 225 -15.446 10.083 1.813 1.00 0.00 C ATOM 853 C VAL A 225 -15.854 11.135 2.837 1.00 0.00 C ATOM 854 O VAL A 225 -16.444 10.815 3.849 1.00 0.00 O ATOM 855 CB VAL A 225 -16.654 9.705 0.956 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.235 8.672 -0.089 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.735 9.114 1.862 1.00 0.00 C ATOM 0 H VAL A 225 -15.711 8.263 2.881 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.665 10.454 1.150 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.041 10.588 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.096 8.403 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.456 9.093 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.853 7.782 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.603 8.840 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.346 8.228 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -18.028 9.853 2.608 1.00 0.00 H new ATOM 867 N LYS A 226 -15.507 12.369 2.616 1.00 0.00 N ATOM 868 CA LYS A 226 -15.831 13.438 3.611 1.00 0.00 C ATOM 869 C LYS A 226 -16.594 14.578 2.931 1.00 0.00 C ATOM 870 O LYS A 226 -17.119 14.415 1.848 1.00 0.00 O ATOM 871 CB LYS A 226 -14.509 13.931 4.200 1.00 0.00 C ATOM 872 CG LYS A 226 -13.692 12.702 4.633 1.00 0.00 C ATOM 873 CD LYS A 226 -12.377 13.114 5.303 1.00 0.00 C ATOM 874 CE LYS A 226 -12.604 13.465 6.777 1.00 0.00 C ATOM 875 NZ LYS A 226 -13.063 12.252 7.513 1.00 0.00 N ATOM 0 H LYS A 226 -15.010 12.690 1.785 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.470 13.052 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.958 14.514 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.692 14.586 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.280 12.097 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.480 12.079 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.654 12.302 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.951 13.971 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -11.682 13.843 7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -13.347 14.258 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -12.789 12.328 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -14.098 12.174 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -12.623 11.406 7.097 1.00 0.00 H new ATOM 889 N GLY A 227 -16.680 15.721 3.578 1.00 0.00 N ATOM 890 CA GLY A 227 -17.431 16.887 2.998 1.00 0.00 C ATOM 891 C GLY A 227 -17.252 16.941 1.480 1.00 0.00 C ATOM 892 O GLY A 227 -18.090 16.474 0.735 1.00 0.00 O ATOM 0 H GLY A 227 -16.259 15.897 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.490 16.802 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -17.074 17.815 3.445 1.00 0.00 H new ATOM 896 N ILE A 228 -16.163 17.479 1.009 1.00 0.00 N ATOM 897 CA ILE A 228 -15.946 17.520 -0.459 1.00 0.00 C ATOM 898 C ILE A 228 -15.571 16.116 -0.928 1.00 0.00 C ATOM 899 O ILE A 228 -14.837 15.940 -1.880 1.00 0.00 O ATOM 900 CB ILE A 228 -14.836 18.526 -0.795 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.511 18.089 -0.156 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.230 19.900 -0.249 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.398 19.044 -0.595 1.00 0.00 C ATOM 0 H ILE A 228 -15.419 17.889 1.574 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.853 17.842 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.708 18.572 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.600 18.091 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.269 17.069 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.448 20.622 -0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.166 20.219 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.357 19.839 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.455 18.736 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.305 19.019 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.641 20.057 -0.275 1.00 0.00 H new ATOM 915 N HIS A 229 -16.066 15.113 -0.246 1.00 0.00 N ATOM 916 CA HIS A 229 -15.748 13.714 -0.630 1.00 0.00 C ATOM 917 C HIS A 229 -14.232 13.537 -0.672 1.00 0.00 C ATOM 918 O HIS A 229 -13.679 13.097 -1.659 1.00 0.00 O ATOM 919 CB HIS A 229 -16.348 13.400 -2.003 1.00 0.00 C ATOM 920 CG HIS A 229 -17.837 13.597 -1.951 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.669 12.736 -1.252 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.660 14.545 -2.510 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.930 13.178 -1.406 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.981 14.277 -2.164 1.00 0.00 N ATOM 0 H HIS A 229 -16.679 15.209 0.563 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.174 13.030 0.104 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.910 14.049 -2.761 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.115 12.374 -2.288 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.332 15.371 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.796 12.702 -0.970 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.811 14.806 -2.432 1.00 0.00 H new ATOM 932 N LYS A 230 -13.551 13.884 0.389 1.00 0.00 N ATOM 933 CA LYS A 230 -12.070 13.730 0.387 1.00 0.00 C ATOM 934 C LYS A 230 -11.735 12.240 0.347 1.00 0.00 C ATOM 935 O LYS A 230 -12.060 11.495 1.248 1.00 0.00 O ATOM 936 CB LYS A 230 -11.471 14.360 1.652 1.00 0.00 C ATOM 937 CG LYS A 230 -11.793 15.859 1.684 1.00 0.00 C ATOM 938 CD LYS A 230 -11.093 16.537 2.871 1.00 0.00 C ATOM 939 CE LYS A 230 -11.687 17.939 3.056 1.00 0.00 C ATOM 940 NZ LYS A 230 -11.065 18.620 4.234 1.00 0.00 N ATOM 0 H LYS A 230 -13.952 14.263 1.247 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.650 14.233 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.875 13.872 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.392 14.209 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.474 16.325 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.871 16.003 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.228 15.947 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.020 16.602 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.522 18.532 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.765 17.868 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -11.478 19.568 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -11.244 18.061 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.039 18.705 4.084 1.00 0.00 H new ATOM 954 N ASN A 231 -11.098 11.801 -0.698 1.00 0.00 N ATOM 955 CA ASN A 231 -10.747 10.361 -0.806 1.00 0.00 C ATOM 956 C ASN A 231 -9.503 10.084 0.037 1.00 0.00 C ATOM 957 O ASN A 231 -8.435 10.569 -0.266 1.00 0.00 O ATOM 958 CB ASN A 231 -10.438 10.024 -2.271 1.00 0.00 C ATOM 959 CG ASN A 231 -11.431 10.731 -3.189 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.621 10.493 -3.121 1.00 0.00 O ATOM 961 ND2 ASN A 231 -10.986 11.607 -4.050 1.00 0.00 N ATOM 0 H ASN A 231 -10.804 12.379 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.580 9.754 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.421 10.330 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.492 8.946 -2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.638 12.093 -4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -9.987 11.805 -4.106 1.00 0.00 H new ATOM 968 N THR A 232 -9.618 9.304 1.079 1.00 0.00 N ATOM 969 CA THR A 232 -8.413 8.995 1.916 1.00 0.00 C ATOM 970 C THR A 232 -8.331 7.488 2.140 1.00 0.00 C ATOM 971 O THR A 232 -9.319 6.841 2.432 1.00 0.00 O ATOM 972 CB THR A 232 -8.525 9.715 3.256 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.718 9.314 3.911 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.540 11.223 3.024 1.00 0.00 C ATOM 0 H THR A 232 -10.487 8.868 1.388 1.00 0.00 H new ATOM 0 HA THR A 232 -7.512 9.334 1.405 1.00 0.00 H new ATOM 0 HB THR A 232 -7.670 9.458 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.789 9.775 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.620 11.738 3.982 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.618 11.524 2.526 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.393 11.486 2.398 1.00 0.00 H new ATOM 982 N TRP A 233 -7.151 6.926 1.990 1.00 0.00 N ATOM 983 CA TRP A 233 -6.964 5.453 2.174 1.00 0.00 C ATOM 984 C TRP A 233 -6.087 5.173 3.388 1.00 0.00 C ATOM 985 O TRP A 233 -5.172 5.915 3.695 1.00 0.00 O ATOM 986 CB TRP A 233 -6.305 4.853 0.928 1.00 0.00 C ATOM 987 CG TRP A 233 -7.295 4.818 -0.192 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.561 5.843 -1.030 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.152 3.717 -0.605 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.532 5.444 -1.927 1.00 0.00 N ATOM 991 CE2 TRP A 233 -8.929 4.139 -1.704 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.330 2.406 -0.131 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -9.852 3.289 -2.316 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.258 1.547 -0.741 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.018 1.989 -1.832 1.00 0.00 C ATOM 0 H TRP A 233 -6.301 7.435 1.745 1.00 0.00 H new ATOM 0 HA TRP A 233 -7.943 4.999 2.329 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.437 5.446 0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -5.947 3.846 1.142 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.091 6.815 -1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -8.910 6.039 -2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.748 2.057 0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.434 3.634 -3.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.387 0.542 -0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.731 1.326 -2.298 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.365 4.094 4.078 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.560 3.723 5.284 1.00 0.00 C ATOM 1008 C GLU A 234 -5.317 2.215 5.288 1.00 0.00 C ATOM 1009 O GLU A 234 -6.224 1.436 5.073 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.345 4.066 6.549 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.542 5.572 6.661 1.00 0.00 C ATOM 1012 CD GLU A 234 -6.963 5.908 8.089 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.076 5.568 8.451 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.170 6.512 8.793 1.00 0.00 O ATOM 0 H GLU A 234 -7.122 3.448 3.855 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.616 4.267 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.314 3.567 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.813 3.696 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.619 6.093 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.302 5.907 5.955 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.116 1.785 5.559 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.858 0.318 5.602 1.00 0.00 C ATOM 1023 C LEU A 235 -4.567 -0.251 6.824 1.00 0.00 C ATOM 1024 O LEU A 235 -4.184 0.022 7.940 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.353 0.061 5.726 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.634 0.573 4.478 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.121 0.459 4.677 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.056 -0.241 3.242 1.00 0.00 C ATOM 0 H LEU A 235 -3.309 2.379 5.751 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.225 -0.155 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.962 0.560 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.166 -1.005 5.852 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.905 1.617 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.392 0.824 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.179 1.056 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.146 -0.584 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.535 0.137 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.801 -1.290 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.132 -0.147 3.094 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.595 -1.038 6.638 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.303 -1.602 7.818 1.00 0.00 C ATOM 1042 C LYS A 236 -5.324 -2.515 8.586 1.00 0.00 C ATOM 1043 O LYS A 236 -4.913 -3.533 8.068 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.505 -2.434 7.347 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.324 -2.854 8.569 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.494 -3.758 8.150 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.513 -2.982 7.308 1.00 0.00 C ATOM 1048 NZ LYS A 236 -10.711 -1.616 7.867 1.00 0.00 N ATOM 0 H LYS A 236 -5.969 -1.310 5.729 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.654 -0.796 8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -8.121 -1.852 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.164 -3.314 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.686 -3.381 9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.705 -1.970 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.116 -4.607 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.982 -4.162 9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.166 -2.914 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -11.463 -3.516 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -11.476 -1.137 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.964 -1.686 8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -9.832 -1.070 7.768 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.946 -2.180 9.808 1.00 0.00 N ATOM 1063 CA PRO A 237 -4.010 -3.024 10.605 1.00 0.00 C ATOM 1064 C PRO A 237 -4.739 -4.117 11.386 1.00 0.00 C ATOM 1065 O PRO A 237 -4.175 -4.777 12.235 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.380 -2.018 11.558 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.474 -1.034 11.842 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.350 -0.980 10.575 1.00 0.00 C ATOM 0 HA PRO A 237 -3.293 -3.555 9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.033 -2.500 12.472 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.516 -1.531 11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.061 -1.344 12.707 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.062 -0.051 12.072 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.411 -1.003 10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.175 -0.066 10.007 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.997 -4.280 11.131 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.784 -5.295 11.884 1.00 0.00 C ATOM 1078 C GLU A 238 -6.165 -6.692 11.763 1.00 0.00 C ATOM 1079 O GLU A 238 -6.077 -7.408 12.742 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.225 -5.327 11.349 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.973 -4.048 11.756 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.111 -3.980 13.281 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -9.772 -4.844 13.835 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -8.555 -3.065 13.866 1.00 0.00 O ATOM 0 H GLU A 238 -6.522 -3.755 10.432 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.779 -5.012 12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.215 -5.421 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.746 -6.201 11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.436 -3.172 11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.960 -4.032 11.293 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.758 -7.108 10.588 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.175 -8.488 10.442 1.00 0.00 C ATOM 1093 C TYR A 239 -3.869 -8.474 9.633 1.00 0.00 C ATOM 1094 O TYR A 239 -3.546 -9.439 8.969 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.196 -9.367 9.730 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.392 -8.846 8.329 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.140 -7.686 8.114 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.807 -9.511 7.251 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.308 -7.193 6.819 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.972 -9.019 5.952 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.724 -7.859 5.736 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.886 -7.373 4.457 1.00 0.00 O ATOM 0 H TYR A 239 -5.802 -6.561 9.728 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.946 -8.875 11.435 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.851 -10.401 9.704 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.142 -9.361 10.271 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.589 -7.170 8.950 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -5.227 -10.406 7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.889 -6.298 6.653 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.520 -9.534 5.117 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.615 -6.718 4.446 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.104 -7.417 9.679 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.831 -7.420 8.900 1.00 0.00 C ATOM 1114 C ARG A 240 -0.795 -8.279 9.625 1.00 0.00 C ATOM 1115 O ARG A 240 -0.243 -7.885 10.633 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.282 -5.986 8.753 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.013 -5.242 7.625 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.251 -3.958 7.275 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.156 -3.101 8.491 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.388 -2.046 8.492 1.00 0.00 C ATOM 1121 NH1 ARG A 240 0.184 -1.653 7.387 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.224 -1.363 9.593 1.00 0.00 N ATOM 0 H ARG A 240 -3.298 -6.568 10.210 1.00 0.00 H new ATOM 0 HA ARG A 240 -2.030 -7.827 7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.404 -5.446 9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.213 -6.020 8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.091 -5.881 6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -3.030 -5.000 7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -0.254 -4.201 6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -1.764 -3.422 6.476 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.693 -3.340 9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.031 -2.171 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.784 -0.828 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.696 -1.655 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.376 -0.538 9.597 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.499 -9.434 9.098 1.00 0.00 N ATOM 1137 CA HIS A 241 0.531 -10.291 9.738 1.00 0.00 C ATOM 1138 C HIS A 241 1.884 -9.694 9.386 1.00 0.00 C ATOM 1139 O HIS A 241 2.898 -9.995 9.985 1.00 0.00 O ATOM 1140 CB HIS A 241 0.428 -11.716 9.192 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.846 -12.339 9.686 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.948 -12.900 10.948 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.084 -12.484 9.109 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.206 -13.350 11.092 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.942 -13.124 9.998 1.00 0.00 N ATOM 0 H HIS A 241 -0.925 -9.819 8.255 1.00 0.00 H new ATOM 0 HA HIS A 241 0.394 -10.331 10.819 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.443 -11.703 8.102 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.286 -12.306 9.516 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.351 -12.152 8.117 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.578 -13.835 11.983 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.921 -13.368 9.848 1.00 0.00 H new ATOM 1153 N TYR A 242 1.883 -8.841 8.398 1.00 0.00 N ATOM 1154 CA TYR A 242 3.132 -8.175 7.934 1.00 0.00 C ATOM 1155 C TYR A 242 3.099 -6.692 8.327 1.00 0.00 C ATOM 1156 O TYR A 242 2.180 -5.974 7.990 1.00 0.00 O ATOM 1157 CB TYR A 242 3.189 -8.309 6.408 1.00 0.00 C ATOM 1158 CG TYR A 242 4.264 -7.415 5.841 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.588 -7.861 5.753 1.00 0.00 C ATOM 1160 CD2 TYR A 242 3.925 -6.132 5.402 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.572 -7.017 5.226 1.00 0.00 C ATOM 1162 CE2 TYR A 242 4.904 -5.289 4.876 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.230 -5.730 4.787 1.00 0.00 C ATOM 1164 OH TYR A 242 7.199 -4.896 4.269 1.00 0.00 O ATOM 0 H TYR A 242 1.046 -8.572 7.881 1.00 0.00 H new ATOM 0 HA TYR A 242 4.009 -8.635 8.390 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.388 -9.345 6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.223 -8.045 5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.849 -8.853 6.091 1.00 0.00 H new ATOM 0 HD2 TYR A 242 2.902 -5.792 5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.595 -7.357 5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.640 -4.298 4.538 1.00 0.00 H new ATOM 0 HH TYR A 242 6.901 -4.547 3.403 1.00 0.00 H new ATOM 1174 N GLN A 243 4.102 -6.235 9.030 1.00 0.00 N ATOM 1175 CA GLN A 243 4.144 -4.803 9.447 1.00 0.00 C ATOM 1176 C GLN A 243 5.474 -4.518 10.150 1.00 0.00 C ATOM 1177 O GLN A 243 6.356 -5.355 10.198 1.00 0.00 O ATOM 1178 CB GLN A 243 2.989 -4.509 10.408 1.00 0.00 C ATOM 1179 CG GLN A 243 3.053 -5.472 11.593 1.00 0.00 C ATOM 1180 CD GLN A 243 1.875 -5.202 12.532 1.00 0.00 C ATOM 1181 OE1 GLN A 243 1.991 -5.351 13.731 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.735 -4.812 12.034 1.00 0.00 N ATOM 0 H GLN A 243 4.898 -6.796 9.335 1.00 0.00 H new ATOM 0 HA GLN A 243 4.050 -4.168 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.048 -3.479 10.759 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.036 -4.615 9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.022 -6.503 11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 243 3.995 -5.346 12.128 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.635 -4.686 11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 243 -0.057 -4.633 12.652 1.00 0.00 H new TER 1191 GLN A 243