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= -0.993! C(o=-0.94!,f=-1.5!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= 0.0545 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-2.8!) USER MOD Set 2.2: A 197 TYR OH : rot 65:sc= 0.00301 USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.2) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 186 MET CE :methyl 176:sc= 0 (180deg=-0.00459) USER MOD Single : A 189 SER OG : rot -31:sc= -0.543 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -3.7! C(o=-3.7!,f=-16!) USER MOD Single : A 200 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0992) USER MOD Single : A 206 THR OG1 : rot 42:sc= 0.435 USER MOD Single : A 207 LYS NZ :NH3+ -112:sc= -1.8 (180deg=-4.42!) USER MOD Single : A 208 GLN : amide:sc= -2.97! C(o=-3!,f=-3.4!) USER MOD Single : A 212 TYR OH : rot 44:sc= -0.385 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -15.5! C(o=-16!,f=-2.4!) USER MOD Single : A 226 LYS NZ :NH3+ -120:sc= -0.101 (180deg=-0.643) 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= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -13:sc= -2.03! USER MOD Single : A 241 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 242 TYR OH : rot 180:sc= 0 USER MOD Single : A 243 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 5.470 -7.475 -12.716 1.00 0.00 N ATOM 2 CA ARG A 175 5.620 -8.924 -12.398 1.00 0.00 C ATOM 3 C ARG A 175 4.457 -9.398 -11.515 1.00 0.00 C ATOM 4 O ARG A 175 3.384 -8.828 -11.524 1.00 0.00 O ATOM 5 CB ARG A 175 6.961 -9.184 -11.693 1.00 0.00 C ATOM 6 CG ARG A 175 6.948 -8.666 -10.254 1.00 0.00 C ATOM 7 CD ARG A 175 6.457 -7.227 -10.217 1.00 0.00 C ATOM 8 NE ARG A 175 7.128 -6.430 -11.303 1.00 0.00 N ATOM 9 CZ ARG A 175 8.429 -6.301 -11.378 1.00 0.00 C ATOM 10 NH1 ARG A 175 9.198 -6.778 -10.435 1.00 0.00 N ATOM 11 NH2 ARG A 175 8.961 -5.669 -12.399 1.00 0.00 N ATOM 0 HA ARG A 175 5.604 -9.486 -13.332 1.00 0.00 H new ATOM 0 HB2 ARG A 175 7.172 -10.253 -11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 175 7.765 -8.700 -12.248 1.00 0.00 H new ATOM 0 HG2 ARG A 175 6.302 -9.294 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 175 7.950 -8.727 -9.829 1.00 0.00 H new ATOM 0 HD2 ARG A 175 5.375 -7.199 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 175 6.671 -6.785 -9.244 1.00 0.00 H new ATOM 0 HE ARG A 175 6.548 -5.973 -12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 175 8.786 -7.255 -9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 175 10.210 -6.673 -10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 175 8.361 -5.282 -13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 175 9.974 -5.565 -12.463 1.00 0.00 H new ATOM 25 N ALA A 176 4.644 -10.458 -10.778 1.00 0.00 N ATOM 26 CA ALA A 176 3.525 -10.974 -9.938 1.00 0.00 C ATOM 27 C ALA A 176 3.375 -10.177 -8.636 1.00 0.00 C ATOM 28 O ALA A 176 3.138 -8.985 -8.643 1.00 0.00 O ATOM 29 CB ALA A 176 3.769 -12.452 -9.611 1.00 0.00 C ATOM 0 H ALA A 176 5.515 -10.986 -10.720 1.00 0.00 H new ATOM 0 HA ALA A 176 2.601 -10.862 -10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.951 -12.829 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 176 3.822 -13.025 -10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 176 4.708 -12.554 -9.067 1.00 0.00 H new ATOM 35 N ARG A 177 3.453 -10.853 -7.517 1.00 0.00 N ATOM 36 CA ARG A 177 3.258 -10.179 -6.204 1.00 0.00 C ATOM 37 C ARG A 177 4.482 -9.356 -5.798 1.00 0.00 C ATOM 38 O ARG A 177 4.476 -8.706 -4.774 1.00 0.00 O ATOM 39 CB ARG A 177 2.956 -11.241 -5.139 1.00 0.00 C ATOM 40 CG ARG A 177 4.243 -12.004 -4.727 1.00 0.00 C ATOM 41 CD ARG A 177 5.028 -11.274 -3.623 1.00 0.00 C ATOM 42 NE ARG A 177 5.616 -12.285 -2.692 1.00 0.00 N ATOM 43 CZ ARG A 177 6.646 -11.976 -1.949 1.00 0.00 C ATOM 44 NH1 ARG A 177 7.192 -10.800 -2.061 1.00 0.00 N ATOM 45 NH2 ARG A 177 7.130 -12.837 -1.094 1.00 0.00 N ATOM 0 H ARG A 177 3.646 -11.853 -7.460 1.00 0.00 H new ATOM 0 HA ARG A 177 2.421 -9.487 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 177 2.515 -10.766 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 177 2.219 -11.946 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.975 -13.002 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 177 4.882 -12.131 -5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 177 5.817 -10.664 -4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 177 4.370 -10.598 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 177 5.212 -13.220 -2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 177 6.816 -10.124 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 177 7.996 -10.554 -1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 177 6.704 -13.759 -1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 177 7.934 -12.587 -0.518 1.00 0.00 H new ATOM 59 N ALA A 178 5.530 -9.355 -6.567 1.00 0.00 N ATOM 60 CA ALA A 178 6.701 -8.533 -6.151 1.00 0.00 C ATOM 61 C ALA A 178 6.241 -7.076 -6.152 1.00 0.00 C ATOM 62 O ALA A 178 6.508 -6.332 -5.232 1.00 0.00 O ATOM 63 CB ALA A 178 7.879 -8.740 -7.115 1.00 0.00 C ATOM 0 H ALA A 178 5.630 -9.871 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 178 7.050 -8.825 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.724 -8.131 -6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 178 8.169 -9.791 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.582 -8.445 -8.121 1.00 0.00 H new ATOM 69 N ASP A 179 5.519 -6.673 -7.166 1.00 0.00 N ATOM 70 CA ASP A 179 4.996 -5.276 -7.186 1.00 0.00 C ATOM 71 C ASP A 179 4.122 -5.116 -5.950 1.00 0.00 C ATOM 72 O ASP A 179 4.222 -4.163 -5.212 1.00 0.00 O ATOM 73 CB ASP A 179 4.138 -5.039 -8.444 1.00 0.00 C ATOM 74 CG ASP A 179 5.021 -4.773 -9.668 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.203 -4.544 -9.489 1.00 0.00 O ATOM 76 OD2 ASP A 179 4.494 -4.804 -10.773 1.00 0.00 O ATOM 0 H ASP A 179 5.271 -7.245 -7.973 1.00 0.00 H new ATOM 0 HA ASP A 179 5.819 -4.561 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.508 -5.909 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 179 3.472 -4.192 -8.280 1.00 0.00 H new ATOM 81 N LYS A 180 3.271 -6.068 -5.708 1.00 0.00 N ATOM 82 CA LYS A 180 2.400 -5.990 -4.508 1.00 0.00 C ATOM 83 C LYS A 180 3.288 -5.823 -3.278 1.00 0.00 C ATOM 84 O LYS A 180 3.250 -4.823 -2.603 1.00 0.00 O ATOM 85 CB LYS A 180 1.606 -7.296 -4.399 1.00 0.00 C ATOM 86 CG LYS A 180 0.600 -7.213 -3.249 1.00 0.00 C ATOM 87 CD LYS A 180 0.160 -8.620 -2.842 1.00 0.00 C ATOM 88 CE LYS A 180 -0.605 -9.291 -3.996 1.00 0.00 C ATOM 89 NZ LYS A 180 -1.385 -10.444 -3.460 1.00 0.00 N ATOM 0 H LYS A 180 3.141 -6.896 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 180 1.712 -5.148 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.083 -7.490 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.287 -8.131 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.049 -6.702 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -0.266 -6.625 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 180 1.031 -9.219 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.474 -8.569 -1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.274 -8.573 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 180 0.092 -9.632 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -1.905 -10.902 -4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -0.736 -11.130 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.059 -10.104 -2.745 1.00 0.00 H new ATOM 103 N GLN A 181 4.097 -6.805 -3.003 1.00 0.00 N ATOM 104 CA GLN A 181 5.006 -6.741 -1.824 1.00 0.00 C ATOM 105 C GLN A 181 5.913 -5.517 -1.926 1.00 0.00 C ATOM 106 O GLN A 181 6.139 -4.811 -0.958 1.00 0.00 O ATOM 107 CB GLN A 181 5.870 -8.009 -1.828 1.00 0.00 C ATOM 108 CG GLN A 181 6.776 -8.057 -0.597 1.00 0.00 C ATOM 109 CD GLN A 181 5.932 -8.142 0.674 1.00 0.00 C ATOM 110 OE1 GLN A 181 5.467 -9.202 1.041 1.00 0.00 O ATOM 111 NE2 GLN A 181 5.720 -7.057 1.359 1.00 0.00 N ATOM 0 H GLN A 181 4.169 -7.662 -3.552 1.00 0.00 H new ATOM 0 HA GLN A 181 4.423 -6.669 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.229 -8.890 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.477 -8.037 -2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 181 7.441 -8.918 -0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.407 -7.169 -0.565 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.114 -6.170 1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 181 5.160 -7.093 2.211 1.00 0.00 H new ATOM 120 N HIS A 182 6.446 -5.261 -3.076 1.00 0.00 N ATOM 121 CA HIS A 182 7.345 -4.096 -3.218 1.00 0.00 C ATOM 122 C HIS A 182 6.545 -2.804 -3.086 1.00 0.00 C ATOM 123 O HIS A 182 7.009 -1.823 -2.536 1.00 0.00 O ATOM 124 CB HIS A 182 8.018 -4.162 -4.580 1.00 0.00 C ATOM 125 CG HIS A 182 8.979 -3.016 -4.726 1.00 0.00 C ATOM 126 ND1 HIS A 182 10.005 -2.774 -3.820 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.088 -2.053 -5.688 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.685 -1.698 -4.261 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.165 -1.220 -5.395 1.00 0.00 N ATOM 0 H HIS A 182 6.299 -5.807 -3.925 1.00 0.00 H new ATOM 0 HA HIS A 182 8.103 -4.113 -2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.547 -5.109 -4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.268 -4.123 -5.370 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.438 -1.953 -6.545 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.543 -1.275 -3.760 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.488 -0.416 -5.932 1.00 0.00 H new ATOM 137 N VAL A 183 5.344 -2.786 -3.588 1.00 0.00 N ATOM 138 CA VAL A 183 4.531 -1.555 -3.491 1.00 0.00 C ATOM 139 C VAL A 183 4.155 -1.322 -2.030 1.00 0.00 C ATOM 140 O VAL A 183 4.079 -0.197 -1.582 1.00 0.00 O ATOM 141 CB VAL A 183 3.284 -1.706 -4.367 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.301 -0.557 -4.091 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.685 -1.708 -5.868 1.00 0.00 C ATOM 0 H VAL A 183 4.895 -3.571 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 183 5.096 -0.693 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 183 2.799 -2.652 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.418 -0.675 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.005 -0.575 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.782 0.395 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.792 -1.816 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.183 -0.770 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.362 -2.540 -6.063 1.00 0.00 H new ATOM 153 N LEU A 184 3.944 -2.362 -1.263 1.00 0.00 N ATOM 154 CA LEU A 184 3.599 -2.130 0.166 1.00 0.00 C ATOM 155 C LEU A 184 4.718 -1.315 0.800 1.00 0.00 C ATOM 156 O LEU A 184 4.471 -0.382 1.538 1.00 0.00 O ATOM 157 CB LEU A 184 3.453 -3.463 0.901 1.00 0.00 C ATOM 158 CG LEU A 184 2.179 -4.185 0.445 1.00 0.00 C ATOM 159 CD1 LEU A 184 2.132 -5.570 1.101 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.922 -3.366 0.830 1.00 0.00 C ATOM 0 H LEU A 184 3.995 -3.337 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 184 2.652 -1.595 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.323 -4.090 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.417 -3.291 1.977 1.00 0.00 H new ATOM 0 HG LEU A 184 2.192 -4.292 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.230 -6.093 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 184 3.008 -6.145 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.124 -5.459 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 184 0.028 -3.894 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.888 -3.239 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.964 -2.388 0.351 1.00 0.00 H new ATOM 172 N ASP A 185 5.953 -1.626 0.500 1.00 0.00 N ATOM 173 CA ASP A 185 7.064 -0.827 1.087 1.00 0.00 C ATOM 174 C ASP A 185 6.844 0.640 0.746 1.00 0.00 C ATOM 175 O ASP A 185 7.064 1.517 1.558 1.00 0.00 O ATOM 176 CB ASP A 185 8.411 -1.273 0.500 1.00 0.00 C ATOM 177 CG ASP A 185 8.797 -2.637 1.065 1.00 0.00 C ATOM 178 OD1 ASP A 185 8.172 -3.062 2.025 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.710 -3.237 0.526 1.00 0.00 O ATOM 0 H ASP A 185 6.235 -2.388 -0.117 1.00 0.00 H new ATOM 0 HA ASP A 185 7.078 -0.975 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.345 -1.325 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 185 9.182 -0.540 0.737 1.00 0.00 H new ATOM 184 N MET A 186 6.409 0.912 -0.456 1.00 0.00 N ATOM 185 CA MET A 186 6.165 2.329 -0.857 1.00 0.00 C ATOM 186 C MET A 186 4.990 2.868 -0.045 1.00 0.00 C ATOM 187 O MET A 186 4.989 4.005 0.389 1.00 0.00 O ATOM 188 CB MET A 186 5.839 2.416 -2.358 1.00 0.00 C ATOM 189 CG MET A 186 7.005 1.858 -3.187 1.00 0.00 C ATOM 190 SD MET A 186 8.500 2.844 -2.910 1.00 0.00 S ATOM 191 CE MET A 186 8.278 4.011 -4.277 1.00 0.00 C ATOM 0 H MET A 186 6.213 0.216 -1.176 1.00 0.00 H new ATOM 0 HA MET A 186 7.061 2.920 -0.665 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.929 1.855 -2.573 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.648 3.452 -2.637 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.190 0.819 -2.914 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.745 1.868 -4.246 1.00 0.00 H new ATOM 0 HE1 MET A 186 9.067 4.763 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 186 8.325 3.475 -5.225 1.00 0.00 H new ATOM 0 HE3 MET A 186 7.308 4.499 -4.185 1.00 0.00 H new ATOM 201 N LEU A 187 3.981 2.053 0.165 1.00 0.00 N ATOM 202 CA LEU A 187 2.804 2.515 0.956 1.00 0.00 C ATOM 203 C LEU A 187 3.238 2.768 2.398 1.00 0.00 C ATOM 204 O LEU A 187 2.959 3.805 2.967 1.00 0.00 O ATOM 205 CB LEU A 187 1.710 1.435 0.978 1.00 0.00 C ATOM 206 CG LEU A 187 1.209 1.096 -0.430 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.047 0.226 -0.304 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.876 2.368 -1.226 1.00 0.00 C ATOM 0 H LEU A 187 3.926 1.094 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 187 2.416 3.424 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.100 0.534 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.874 1.778 1.587 1.00 0.00 H new ATOM 0 HG LEU A 187 1.995 0.563 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.417 -0.025 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.197 -0.690 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.815 0.773 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.523 2.093 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.098 2.929 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.770 2.985 -1.316 1.00 0.00 H new ATOM 220 N PHE A 188 3.926 1.835 2.998 1.00 0.00 N ATOM 221 CA PHE A 188 4.361 2.051 4.400 1.00 0.00 C ATOM 222 C PHE A 188 5.228 3.301 4.458 1.00 0.00 C ATOM 223 O PHE A 188 5.107 4.112 5.351 1.00 0.00 O ATOM 224 CB PHE A 188 5.143 0.831 4.921 1.00 0.00 C ATOM 225 CG PHE A 188 4.181 -0.256 5.334 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.478 -0.137 6.542 1.00 0.00 C ATOM 227 CD2 PHE A 188 3.985 -1.377 4.521 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.584 -1.140 6.934 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.089 -2.377 4.915 1.00 0.00 C ATOM 230 CZ PHE A 188 2.390 -2.259 6.119 1.00 0.00 C ATOM 0 H PHE A 188 4.201 0.945 2.582 1.00 0.00 H new ATOM 0 HA PHE A 188 3.485 2.181 5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.814 0.460 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.764 1.121 5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.627 0.729 7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.525 -1.471 3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.045 -1.049 7.865 1.00 0.00 H new ATOM 0 HE2 PHE A 188 2.937 -3.242 4.287 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.699 -3.033 6.420 1.00 0.00 H new ATOM 240 N SER A 189 6.088 3.484 3.505 1.00 0.00 N ATOM 241 CA SER A 189 6.929 4.697 3.524 1.00 0.00 C ATOM 242 C SER A 189 6.010 5.914 3.422 1.00 0.00 C ATOM 243 O SER A 189 6.158 6.890 4.137 1.00 0.00 O ATOM 244 CB SER A 189 7.894 4.658 2.341 1.00 0.00 C ATOM 245 OG SER A 189 7.151 4.642 1.129 1.00 0.00 O ATOM 0 H SER A 189 6.243 2.851 2.721 1.00 0.00 H new ATOM 0 HA SER A 189 7.510 4.752 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.553 5.526 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.529 3.774 2.404 1.00 0.00 H new ATOM 0 HG SER A 189 6.301 4.176 1.273 1.00 0.00 H new ATOM 251 N ALA A 190 5.047 5.846 2.543 1.00 0.00 N ATOM 252 CA ALA A 190 4.095 6.975 2.387 1.00 0.00 C ATOM 253 C ALA A 190 3.273 7.119 3.669 1.00 0.00 C ATOM 254 O ALA A 190 3.176 8.189 4.231 1.00 0.00 O ATOM 255 CB ALA A 190 3.176 6.702 1.188 1.00 0.00 C ATOM 0 H ALA A 190 4.881 5.052 1.925 1.00 0.00 H new ATOM 0 HA ALA A 190 4.639 7.903 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.476 7.529 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.777 6.604 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.622 5.779 1.357 1.00 0.00 H new ATOM 261 N PHE A 191 2.698 6.047 4.138 1.00 0.00 N ATOM 262 CA PHE A 191 1.888 6.115 5.384 1.00 0.00 C ATOM 263 C PHE A 191 2.786 6.422 6.581 1.00 0.00 C ATOM 264 O PHE A 191 2.320 6.874 7.611 1.00 0.00 O ATOM 265 CB PHE A 191 1.157 4.784 5.597 1.00 0.00 C ATOM 266 CG PHE A 191 -0.069 4.758 4.710 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.164 5.569 5.028 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.107 3.937 3.577 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.301 5.559 4.212 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.240 3.924 2.761 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.339 4.733 3.075 1.00 0.00 C ATOM 0 H PHE A 191 2.755 5.123 3.709 1.00 0.00 H new ATOM 0 HA PHE A 191 1.153 6.914 5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.815 3.949 5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.870 4.674 6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.132 6.202 5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.740 3.313 3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.147 6.184 4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.269 3.290 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.215 4.722 2.444 1.00 0.00 H new ATOM 281 N GLU A 192 4.066 6.193 6.473 1.00 0.00 N ATOM 282 CA GLU A 192 4.948 6.498 7.624 1.00 0.00 C ATOM 283 C GLU A 192 5.012 8.015 7.794 1.00 0.00 C ATOM 284 O GLU A 192 5.217 8.520 8.879 1.00 0.00 O ATOM 285 CB GLU A 192 6.350 5.937 7.369 1.00 0.00 C ATOM 286 CG GLU A 192 7.256 6.210 8.581 1.00 0.00 C ATOM 287 CD GLU A 192 7.738 7.668 8.581 1.00 0.00 C ATOM 288 OE1 GLU A 192 7.858 8.234 7.509 1.00 0.00 O ATOM 289 OE2 GLU A 192 7.992 8.184 9.659 1.00 0.00 O ATOM 0 H GLU A 192 4.530 5.813 5.648 1.00 0.00 H new ATOM 0 HA GLU A 192 4.553 6.039 8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.293 4.865 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.776 6.394 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 192 6.712 6.002 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 192 8.114 5.538 8.559 1.00 0.00 H new ATOM 296 N LYS A 193 4.845 8.750 6.720 1.00 0.00 N ATOM 297 CA LYS A 193 4.904 10.241 6.823 1.00 0.00 C ATOM 298 C LYS A 193 3.533 10.797 7.242 1.00 0.00 C ATOM 299 O LYS A 193 3.447 11.835 7.864 1.00 0.00 O ATOM 300 CB LYS A 193 5.296 10.822 5.457 1.00 0.00 C ATOM 301 CG LYS A 193 6.761 10.481 5.151 1.00 0.00 C ATOM 302 CD LYS A 193 7.149 11.044 3.775 1.00 0.00 C ATOM 303 CE LYS A 193 8.600 10.659 3.457 1.00 0.00 C ATOM 304 NZ LYS A 193 9.012 11.265 2.156 1.00 0.00 N ATOM 0 H LYS A 193 4.672 8.384 5.784 1.00 0.00 H new ATOM 0 HA LYS A 193 5.643 10.522 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.648 10.417 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.157 11.903 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.410 10.898 5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.903 9.400 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.481 10.652 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.039 12.128 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.260 11.003 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.696 9.574 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 9.996 11.001 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.391 10.916 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.937 12.301 2.216 1.00 0.00 H new ATOM 318 N HIS A 194 2.464 10.114 6.923 1.00 0.00 N ATOM 319 CA HIS A 194 1.115 10.618 7.324 1.00 0.00 C ATOM 320 C HIS A 194 0.117 9.462 7.385 1.00 0.00 C ATOM 321 O HIS A 194 0.192 8.514 6.638 1.00 0.00 O ATOM 322 CB HIS A 194 0.633 11.669 6.323 1.00 0.00 C ATOM 323 CG HIS A 194 1.457 12.916 6.485 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.320 13.375 5.503 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.569 13.799 7.527 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.909 14.489 5.972 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.489 14.792 7.203 1.00 0.00 N ATOM 0 H HIS A 194 2.465 9.235 6.406 1.00 0.00 H new ATOM 0 HA HIS A 194 1.189 11.073 8.312 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.723 11.288 5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.421 11.891 6.489 1.00 0.00 H new ATOM 0 HD2 HIS A 194 1.026 13.734 8.458 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.634 15.069 5.420 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.780 15.581 7.781 1.00 0.00 H new ATOM 335 N GLN A 195 -0.811 9.532 8.282 1.00 0.00 N ATOM 336 CA GLN A 195 -1.812 8.434 8.413 1.00 0.00 C ATOM 337 C GLN A 195 -2.739 8.378 7.191 1.00 0.00 C ATOM 338 O GLN A 195 -3.285 7.337 6.882 1.00 0.00 O ATOM 339 CB GLN A 195 -2.634 8.666 9.686 1.00 0.00 C ATOM 340 CG GLN A 195 -3.602 7.505 9.917 1.00 0.00 C ATOM 341 CD GLN A 195 -2.819 6.210 10.150 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.235 6.018 11.197 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.783 5.304 9.211 1.00 0.00 N ATOM 0 H GLN A 195 -0.927 10.304 8.938 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.287 7.481 8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.968 8.768 10.543 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.190 9.600 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.237 7.716 10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.260 7.392 9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -3.273 5.462 8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.265 4.438 9.358 1.00 0.00 H new ATOM 352 N TYR A 196 -2.964 9.492 6.527 1.00 0.00 N ATOM 353 CA TYR A 196 -3.913 9.504 5.355 1.00 0.00 C ATOM 354 C TYR A 196 -3.229 9.795 4.006 1.00 0.00 C ATOM 355 O TYR A 196 -2.309 10.589 3.910 1.00 0.00 O ATOM 356 CB TYR A 196 -4.941 10.594 5.614 1.00 0.00 C ATOM 357 CG TYR A 196 -5.769 10.205 6.809 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.858 9.341 6.643 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.456 10.707 8.076 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.638 8.975 7.741 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.239 10.343 9.179 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.333 9.476 9.013 1.00 0.00 C ATOM 363 OH TYR A 196 -8.101 9.119 10.102 1.00 0.00 O ATOM 0 H TYR A 196 -2.534 10.392 6.743 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.353 8.510 5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.444 11.547 5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.579 10.727 4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.095 8.956 5.662 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.615 11.372 8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.476 8.306 7.610 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -6.002 10.729 10.159 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.750 9.555 10.907 1.00 0.00 H new ATOM 373 N TYR A 197 -3.736 9.170 2.960 1.00 0.00 N ATOM 374 CA TYR A 197 -3.222 9.387 1.563 1.00 0.00 C ATOM 375 C TYR A 197 -4.361 9.112 0.574 1.00 0.00 C ATOM 376 O TYR A 197 -4.967 8.063 0.611 1.00 0.00 O ATOM 377 CB TYR A 197 -2.058 8.434 1.255 1.00 0.00 C ATOM 378 CG TYR A 197 -0.759 8.995 1.786 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.389 8.777 3.111 1.00 0.00 C ATOM 380 CD2 TYR A 197 0.077 9.725 0.934 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.824 9.292 3.589 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.291 10.244 1.416 1.00 0.00 C ATOM 383 CZ TYR A 197 1.661 10.023 2.743 1.00 0.00 C ATOM 384 OH TYR A 197 2.853 10.529 3.215 1.00 0.00 O ATOM 0 H TYR A 197 -4.504 8.502 3.021 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.867 10.414 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.250 7.459 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.981 8.280 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.035 8.213 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.211 9.890 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 197 1.113 9.123 4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.935 10.812 0.761 1.00 0.00 H new ATOM 0 HH TYR A 197 3.452 9.790 3.450 1.00 0.00 H new ATOM 394 N ASN A 198 -4.650 10.020 -0.323 1.00 0.00 N ATOM 395 CA ASN A 198 -5.746 9.764 -1.308 1.00 0.00 C ATOM 396 C ASN A 198 -5.170 9.031 -2.537 1.00 0.00 C ATOM 397 O ASN A 198 -3.971 8.927 -2.698 1.00 0.00 O ATOM 398 CB ASN A 198 -6.382 11.097 -1.717 1.00 0.00 C ATOM 399 CG ASN A 198 -5.435 11.886 -2.615 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.237 11.688 -2.583 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.934 12.777 -3.428 1.00 0.00 N ATOM 0 H ASN A 198 -4.180 10.920 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.514 9.135 -0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.321 10.914 -2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.621 11.681 -0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.317 13.311 -4.040 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.941 12.939 -3.451 1.00 0.00 H new ATOM 408 N LEU A 199 -6.017 8.509 -3.398 1.00 0.00 N ATOM 409 CA LEU A 199 -5.513 7.775 -4.604 1.00 0.00 C ATOM 410 C LEU A 199 -4.590 8.674 -5.422 1.00 0.00 C ATOM 411 O LEU A 199 -3.569 8.246 -5.918 1.00 0.00 O ATOM 412 CB LEU A 199 -6.687 7.355 -5.497 1.00 0.00 C ATOM 413 CG LEU A 199 -7.573 6.337 -4.774 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.769 6.011 -5.664 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.773 5.054 -4.463 1.00 0.00 C ATOM 0 H LEU A 199 -7.032 8.560 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 199 -4.969 6.895 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.276 8.231 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.310 6.924 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.919 6.757 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.410 5.286 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.335 6.921 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.417 5.592 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.416 4.340 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.414 4.615 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.923 5.300 -3.826 1.00 0.00 H new ATOM 427 N LYS A 200 -4.955 9.911 -5.601 1.00 0.00 N ATOM 428 CA LYS A 200 -4.102 10.827 -6.415 1.00 0.00 C ATOM 429 C LYS A 200 -2.700 10.958 -5.801 1.00 0.00 C ATOM 430 O LYS A 200 -1.702 11.023 -6.495 1.00 0.00 O ATOM 431 CB LYS A 200 -4.770 12.207 -6.526 1.00 0.00 C ATOM 432 CG LYS A 200 -4.026 13.097 -7.562 1.00 0.00 C ATOM 433 CD LYS A 200 -3.109 14.097 -6.837 1.00 0.00 C ATOM 434 CE LYS A 200 -2.040 14.610 -7.800 1.00 0.00 C ATOM 435 NZ LYS A 200 -2.688 15.350 -8.920 1.00 0.00 N ATOM 0 H LYS A 200 -5.804 10.329 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.995 10.404 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.812 12.089 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.769 12.696 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.437 12.472 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -4.748 13.634 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -3.696 14.931 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -2.638 13.617 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -1.345 15.264 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -1.458 13.775 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -1.969 15.894 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -3.142 14.673 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -3.405 15.999 -8.538 1.00 0.00 H new ATOM 449 N ASP A 201 -2.590 11.012 -4.507 1.00 0.00 N ATOM 450 CA ASP A 201 -1.232 11.140 -3.911 1.00 0.00 C ATOM 451 C ASP A 201 -0.452 9.843 -4.147 1.00 0.00 C ATOM 452 O ASP A 201 0.722 9.862 -4.446 1.00 0.00 O ATOM 453 CB ASP A 201 -1.347 11.417 -2.412 1.00 0.00 C ATOM 454 CG ASP A 201 -1.884 12.839 -2.201 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.793 13.627 -3.129 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.373 13.116 -1.119 1.00 0.00 O ATOM 0 H ASP A 201 -3.365 10.974 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.704 11.970 -4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.013 10.691 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.373 11.309 -1.934 1.00 0.00 H new ATOM 461 N LEU A 202 -1.095 8.720 -4.012 1.00 0.00 N ATOM 462 CA LEU A 202 -0.383 7.424 -4.212 1.00 0.00 C ATOM 463 C LEU A 202 0.206 7.315 -5.628 1.00 0.00 C ATOM 464 O LEU A 202 1.290 6.797 -5.806 1.00 0.00 O ATOM 465 CB LEU A 202 -1.358 6.258 -3.980 1.00 0.00 C ATOM 466 CG LEU A 202 -1.735 6.166 -2.489 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.782 5.065 -2.295 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.482 5.837 -1.641 1.00 0.00 C ATOM 0 H LEU A 202 -2.083 8.640 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 202 0.437 7.380 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.256 6.401 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -0.902 5.323 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.142 7.124 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.049 4.999 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.671 5.301 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.372 4.111 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.761 5.775 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.065 4.883 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.263 6.622 -1.773 1.00 0.00 H new ATOM 480 N VAL A 203 -0.483 7.769 -6.630 1.00 0.00 N ATOM 481 CA VAL A 203 0.078 7.639 -8.004 1.00 0.00 C ATOM 482 C VAL A 203 1.342 8.476 -8.139 1.00 0.00 C ATOM 483 O VAL A 203 2.292 8.073 -8.778 1.00 0.00 O ATOM 484 CB VAL A 203 -0.957 8.067 -9.038 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.067 7.019 -9.111 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.566 9.392 -8.631 1.00 0.00 C ATOM 0 H VAL A 203 -1.396 8.218 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 203 0.334 6.594 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.472 8.166 -10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.808 7.324 -9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.641 6.058 -9.399 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.545 6.926 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.306 9.695 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.048 9.288 -7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.783 10.148 -8.569 1.00 0.00 H new ATOM 496 N ASP A 204 1.379 9.626 -7.537 1.00 0.00 N ATOM 497 CA ASP A 204 2.599 10.455 -7.631 1.00 0.00 C ATOM 498 C ASP A 204 3.765 9.653 -7.061 1.00 0.00 C ATOM 499 O ASP A 204 4.861 9.639 -7.591 1.00 0.00 O ATOM 500 CB ASP A 204 2.395 11.717 -6.802 1.00 0.00 C ATOM 501 CG ASP A 204 3.475 12.737 -7.146 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.259 12.464 -8.038 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.489 13.783 -6.519 1.00 0.00 O ATOM 0 H ASP A 204 0.619 10.025 -6.986 1.00 0.00 H new ATOM 0 HA ASP A 204 2.805 10.727 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.409 12.137 -6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.434 11.476 -5.740 1.00 0.00 H new ATOM 508 N ILE A 205 3.526 8.971 -5.976 1.00 0.00 N ATOM 509 CA ILE A 205 4.601 8.149 -5.351 1.00 0.00 C ATOM 510 C ILE A 205 4.916 6.962 -6.265 1.00 0.00 C ATOM 511 O ILE A 205 6.004 6.422 -6.248 1.00 0.00 O ATOM 512 CB ILE A 205 4.129 7.635 -3.990 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.664 8.822 -3.140 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.290 6.936 -3.276 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.255 8.351 -1.733 1.00 0.00 C ATOM 0 H ILE A 205 2.628 8.947 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 205 5.495 8.757 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 205 3.309 6.931 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.464 9.558 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.821 9.315 -3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.953 6.570 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.637 6.097 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.108 7.643 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.928 9.207 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.439 7.632 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.108 7.879 -1.245 1.00 0.00 H new ATOM 527 N THR A 206 3.957 6.544 -7.056 1.00 0.00 N ATOM 528 CA THR A 206 4.162 5.386 -7.968 1.00 0.00 C ATOM 529 C THR A 206 3.300 5.565 -9.219 1.00 0.00 C ATOM 530 O THR A 206 2.095 5.590 -9.154 1.00 0.00 O ATOM 531 CB THR A 206 3.721 4.110 -7.244 1.00 0.00 C ATOM 532 OG1 THR A 206 2.448 4.328 -6.655 1.00 0.00 O ATOM 533 CG2 THR A 206 4.725 3.750 -6.154 1.00 0.00 C ATOM 0 H THR A 206 3.029 6.966 -7.105 1.00 0.00 H new ATOM 0 HA THR A 206 5.212 5.320 -8.252 1.00 0.00 H new ATOM 0 HB THR A 206 3.667 3.291 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.880 4.827 -7.279 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.401 2.841 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.705 3.585 -6.602 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.788 4.565 -5.433 1.00 0.00 H new ATOM 541 N LYS A 207 3.909 5.682 -10.359 1.00 0.00 N ATOM 542 CA LYS A 207 3.114 5.865 -11.608 1.00 0.00 C ATOM 543 C LYS A 207 2.514 4.523 -12.057 1.00 0.00 C ATOM 544 O LYS A 207 2.295 4.296 -13.230 1.00 0.00 O ATOM 545 CB LYS A 207 4.013 6.425 -12.722 1.00 0.00 C ATOM 546 CG LYS A 207 4.460 7.846 -12.361 1.00 0.00 C ATOM 547 CD LYS A 207 5.133 8.512 -13.570 1.00 0.00 C ATOM 548 CE LYS A 207 6.389 7.735 -13.980 1.00 0.00 C ATOM 549 NZ LYS A 207 5.996 6.572 -14.833 1.00 0.00 N ATOM 0 H LYS A 207 4.921 5.660 -10.485 1.00 0.00 H new ATOM 0 HA LYS A 207 2.305 6.567 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.883 5.783 -12.857 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.473 6.433 -13.669 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.600 8.436 -12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.154 7.815 -11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 207 4.434 8.553 -14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.398 9.541 -13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 207 7.071 8.387 -14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.921 7.387 -13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 6.179 5.687 -14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 4.984 6.636 -15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 6.551 6.583 -15.712 1.00 0.00 H new ATOM 563 N GLN A 208 2.245 3.626 -11.142 1.00 0.00 N ATOM 564 CA GLN A 208 1.668 2.308 -11.542 1.00 0.00 C ATOM 565 C GLN A 208 0.141 2.449 -11.708 1.00 0.00 C ATOM 566 O GLN A 208 -0.474 3.252 -11.037 1.00 0.00 O ATOM 567 CB GLN A 208 1.955 1.288 -10.439 1.00 0.00 C ATOM 568 CG GLN A 208 3.467 1.105 -10.293 1.00 0.00 C ATOM 569 CD GLN A 208 3.768 0.355 -8.990 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.393 -0.790 -8.830 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.438 0.964 -8.045 1.00 0.00 N ATOM 0 H GLN A 208 2.399 3.749 -10.141 1.00 0.00 H new ATOM 0 HA GLN A 208 2.112 1.980 -12.482 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.526 1.626 -9.496 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.484 0.335 -10.679 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.861 0.549 -11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.963 2.076 -10.289 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.752 1.925 -8.181 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.646 0.478 -7.173 1.00 0.00 H new ATOM 580 N PRO A 209 -0.475 1.681 -12.587 1.00 0.00 N ATOM 581 CA PRO A 209 -1.958 1.753 -12.807 1.00 0.00 C ATOM 582 C PRO A 209 -2.769 1.794 -11.494 1.00 0.00 C ATOM 583 O PRO A 209 -2.619 0.948 -10.631 1.00 0.00 O ATOM 584 CB PRO A 209 -2.278 0.465 -13.580 1.00 0.00 C ATOM 585 CG PRO A 209 -1.007 0.081 -14.278 1.00 0.00 C ATOM 586 CD PRO A 209 0.160 0.686 -13.477 1.00 0.00 C ATOM 0 HA PRO A 209 -2.229 2.669 -13.333 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.607 -0.325 -12.905 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.083 0.629 -14.296 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -0.913 -1.003 -14.334 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.004 0.454 -15.302 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.687 -0.078 -12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.893 1.153 -14.135 1.00 0.00 H new ATOM 594 N VAL A 210 -3.639 2.764 -11.348 1.00 0.00 N ATOM 595 CA VAL A 210 -4.455 2.851 -10.104 1.00 0.00 C ATOM 596 C VAL A 210 -5.205 1.544 -9.879 1.00 0.00 C ATOM 597 O VAL A 210 -5.280 1.045 -8.777 1.00 0.00 O ATOM 598 CB VAL A 210 -5.452 4.005 -10.199 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.674 5.310 -10.315 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.362 3.843 -11.421 1.00 0.00 C ATOM 0 H VAL A 210 -3.817 3.496 -12.036 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.785 3.032 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.078 4.010 -9.307 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.372 6.145 -10.384 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.042 5.437 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.050 5.284 -11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.062 4.677 -11.466 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.756 3.829 -12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.916 2.908 -11.341 1.00 0.00 H new ATOM 610 N VAL A 211 -5.762 0.981 -10.911 1.00 0.00 N ATOM 611 CA VAL A 211 -6.508 -0.293 -10.738 1.00 0.00 C ATOM 612 C VAL A 211 -5.627 -1.302 -10.004 1.00 0.00 C ATOM 613 O VAL A 211 -6.093 -2.073 -9.188 1.00 0.00 O ATOM 614 CB VAL A 211 -6.907 -0.848 -12.106 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.908 0.097 -12.767 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.666 -0.993 -12.998 1.00 0.00 C ATOM 0 H VAL A 211 -5.734 1.346 -11.863 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.409 -0.110 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.364 -1.829 -11.974 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.192 -0.298 -13.742 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.794 0.186 -12.139 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.453 1.079 -12.893 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -5.961 -1.389 -13.970 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.197 -0.018 -13.130 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -4.958 -1.675 -12.528 1.00 0.00 H new ATOM 626 N TYR A 212 -4.356 -1.296 -10.277 1.00 0.00 N ATOM 627 CA TYR A 212 -3.458 -2.254 -9.576 1.00 0.00 C ATOM 628 C TYR A 212 -3.338 -1.814 -8.129 1.00 0.00 C ATOM 629 O TYR A 212 -3.458 -2.607 -7.214 1.00 0.00 O ATOM 630 CB TYR A 212 -2.075 -2.254 -10.231 1.00 0.00 C ATOM 631 CG TYR A 212 -1.200 -3.324 -9.608 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.358 -4.668 -9.982 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.215 -2.969 -8.674 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.527 -5.652 -9.428 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.612 -3.957 -8.116 1.00 0.00 C ATOM 636 CZ TYR A 212 0.455 -5.297 -8.495 1.00 0.00 C ATOM 637 OH TYR A 212 1.275 -6.269 -7.946 1.00 0.00 O ATOM 0 H TYR A 212 -3.901 -0.677 -10.948 1.00 0.00 H new ATOM 0 HA TYR A 212 -3.868 -3.262 -9.635 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.172 -2.432 -11.302 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.608 -1.277 -10.111 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.120 -4.944 -10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.093 -1.936 -8.384 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.644 -6.685 -9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.369 -3.684 -7.395 1.00 0.00 H new ATOM 0 HH TYR A 212 1.583 -6.874 -8.652 1.00 0.00 H new ATOM 647 N LEU A 213 -3.118 -0.549 -7.915 1.00 0.00 N ATOM 648 CA LEU A 213 -3.004 -0.038 -6.529 1.00 0.00 C ATOM 649 C LEU A 213 -4.357 -0.172 -5.827 1.00 0.00 C ATOM 650 O LEU A 213 -4.438 -0.589 -4.692 1.00 0.00 O ATOM 651 CB LEU A 213 -2.586 1.443 -6.553 1.00 0.00 C ATOM 652 CG LEU A 213 -1.190 1.587 -7.199 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.805 3.072 -7.268 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.135 0.822 -6.380 1.00 0.00 C ATOM 0 H LEU A 213 -3.012 0.154 -8.646 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.252 -0.616 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.317 2.027 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.569 1.841 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.226 1.168 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.180 3.172 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.539 3.611 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.783 3.489 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.842 0.935 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.099 1.224 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.400 -0.235 -6.342 1.00 0.00 H new ATOM 666 N LYS A 214 -5.424 0.170 -6.500 1.00 0.00 N ATOM 667 CA LYS A 214 -6.770 0.070 -5.859 1.00 0.00 C ATOM 668 C LYS A 214 -7.041 -1.373 -5.446 1.00 0.00 C ATOM 669 O LYS A 214 -7.627 -1.629 -4.411 1.00 0.00 O ATOM 670 CB LYS A 214 -7.869 0.522 -6.836 1.00 0.00 C ATOM 671 CG LYS A 214 -7.793 2.044 -7.052 1.00 0.00 C ATOM 672 CD LYS A 214 -9.139 2.564 -7.577 1.00 0.00 C ATOM 673 CE LYS A 214 -9.440 1.943 -8.939 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.665 2.577 -9.503 1.00 0.00 N ATOM 0 H LYS A 214 -5.423 0.513 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.780 0.717 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.754 0.006 -7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.849 0.251 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.541 2.541 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.000 2.280 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.933 2.319 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.111 3.650 -7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.596 2.089 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.585 0.867 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.876 2.159 -10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.467 2.416 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.508 3.599 -9.612 1.00 0.00 H new ATOM 688 N GLU A 215 -6.633 -2.320 -6.244 1.00 0.00 N ATOM 689 CA GLU A 215 -6.884 -3.738 -5.884 1.00 0.00 C ATOM 690 C GLU A 215 -6.132 -4.064 -4.595 1.00 0.00 C ATOM 691 O GLU A 215 -6.639 -4.736 -3.719 1.00 0.00 O ATOM 692 CB GLU A 215 -6.421 -4.644 -7.031 1.00 0.00 C ATOM 693 CG GLU A 215 -7.435 -4.558 -8.182 1.00 0.00 C ATOM 694 CD GLU A 215 -8.662 -5.432 -7.873 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.612 -6.183 -6.910 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.634 -5.331 -8.604 1.00 0.00 O ATOM 0 H GLU A 215 -6.140 -2.172 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.949 -3.905 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.434 -4.338 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.332 -5.674 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.744 -3.523 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -6.970 -4.886 -9.112 1.00 0.00 H new ATOM 703 N ILE A 216 -4.935 -3.574 -4.464 1.00 0.00 N ATOM 704 CA ILE A 216 -4.156 -3.828 -3.223 1.00 0.00 C ATOM 705 C ILE A 216 -4.805 -3.078 -2.059 1.00 0.00 C ATOM 706 O ILE A 216 -4.964 -3.602 -0.971 1.00 0.00 O ATOM 707 CB ILE A 216 -2.738 -3.302 -3.432 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.060 -4.133 -4.523 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.948 -3.379 -2.126 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.712 -3.518 -4.880 1.00 0.00 C ATOM 0 H ILE A 216 -4.460 -3.006 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.135 -4.895 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.773 -2.258 -3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.922 -5.158 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.696 -4.176 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.939 -3.001 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.443 -2.776 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.898 -4.415 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.234 -4.114 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.861 -2.501 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.075 -3.498 -3.995 1.00 0.00 H new ATOM 722 N LEU A 217 -5.174 -1.850 -2.281 1.00 0.00 N ATOM 723 CA LEU A 217 -5.806 -1.048 -1.199 1.00 0.00 C ATOM 724 C LEU A 217 -7.159 -1.656 -0.831 1.00 0.00 C ATOM 725 O LEU A 217 -7.522 -1.713 0.320 1.00 0.00 O ATOM 726 CB LEU A 217 -5.994 0.380 -1.685 1.00 0.00 C ATOM 727 CG LEU A 217 -4.618 0.991 -1.980 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.792 2.304 -2.746 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.863 1.265 -0.667 1.00 0.00 C ATOM 0 H LEU A 217 -5.065 -1.364 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.166 -1.051 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.613 0.394 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.514 0.970 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.044 0.287 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.813 2.736 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.311 2.111 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.376 3.001 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.888 1.698 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.437 1.961 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.728 0.330 -0.123 1.00 0.00 H new ATOM 741 N LYS A 218 -7.910 -2.109 -1.790 1.00 0.00 N ATOM 742 CA LYS A 218 -9.232 -2.715 -1.462 1.00 0.00 C ATOM 743 C LYS A 218 -9.033 -3.940 -0.552 1.00 0.00 C ATOM 744 O LYS A 218 -9.845 -4.224 0.302 1.00 0.00 O ATOM 745 CB LYS A 218 -9.938 -3.142 -2.756 1.00 0.00 C ATOM 746 CG LYS A 218 -10.517 -1.904 -3.464 1.00 0.00 C ATOM 747 CD LYS A 218 -10.889 -2.237 -4.918 1.00 0.00 C ATOM 748 CE LYS A 218 -12.128 -3.126 -4.944 1.00 0.00 C ATOM 749 NZ LYS A 218 -12.625 -3.224 -6.346 1.00 0.00 N ATOM 0 H LYS A 218 -7.671 -2.088 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.845 -1.979 -0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.235 -3.653 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.736 -3.850 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.399 -1.552 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.788 -1.094 -3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.077 -1.319 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.057 -2.742 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -11.888 -4.117 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -12.902 -2.712 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -13.471 -3.829 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -12.867 -2.275 -6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -11.885 -3.637 -6.949 1.00 0.00 H new ATOM 763 N GLU A 219 -7.981 -4.689 -0.745 1.00 0.00 N ATOM 764 CA GLU A 219 -7.769 -5.910 0.102 1.00 0.00 C ATOM 765 C GLU A 219 -7.368 -5.547 1.538 1.00 0.00 C ATOM 766 O GLU A 219 -7.840 -6.146 2.485 1.00 0.00 O ATOM 767 CB GLU A 219 -6.660 -6.768 -0.508 1.00 0.00 C ATOM 768 CG GLU A 219 -7.167 -7.432 -1.786 1.00 0.00 C ATOM 769 CD GLU A 219 -8.211 -8.492 -1.433 1.00 0.00 C ATOM 770 OE1 GLU A 219 -8.148 -9.015 -0.330 1.00 0.00 O ATOM 771 OE2 GLU A 219 -9.061 -8.753 -2.264 1.00 0.00 O ATOM 0 H GLU A 219 -7.261 -4.514 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.712 -6.455 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.789 -6.151 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.340 -7.527 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.603 -6.684 -2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -6.337 -7.889 -2.324 1.00 0.00 H new ATOM 778 N ILE A 220 -6.474 -4.606 1.706 1.00 0.00 N ATOM 779 CA ILE A 220 -6.004 -4.235 3.087 1.00 0.00 C ATOM 780 C ILE A 220 -6.245 -2.757 3.370 1.00 0.00 C ATOM 781 O ILE A 220 -6.080 -2.298 4.475 1.00 0.00 O ATOM 782 CB ILE A 220 -4.498 -4.506 3.186 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.745 -3.734 2.070 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.226 -6.015 3.054 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.262 -3.597 2.439 1.00 0.00 C ATOM 0 H ILE A 220 -6.045 -4.074 0.949 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.560 -4.829 3.812 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.140 -4.164 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.845 -4.260 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.188 -2.747 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.154 -6.199 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.740 -6.549 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.591 -6.368 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.740 -3.054 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -2.170 -3.052 3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.822 -4.588 2.550 1.00 0.00 H new ATOM 797 N GLY A 221 -6.594 -2.005 2.378 1.00 0.00 N ATOM 798 CA GLY A 221 -6.802 -0.546 2.592 1.00 0.00 C ATOM 799 C GLY A 221 -8.233 -0.249 3.042 1.00 0.00 C ATOM 800 O GLY A 221 -9.047 -1.130 3.243 1.00 0.00 O ATOM 0 H GLY A 221 -6.746 -2.331 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.100 -0.183 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.589 -0.007 1.669 1.00 0.00 H new ATOM 804 N VAL A 222 -8.529 1.010 3.186 1.00 0.00 N ATOM 805 CA VAL A 222 -9.891 1.449 3.610 1.00 0.00 C ATOM 806 C VAL A 222 -10.205 2.730 2.846 1.00 0.00 C ATOM 807 O VAL A 222 -9.364 3.243 2.146 1.00 0.00 O ATOM 808 CB VAL A 222 -9.901 1.728 5.124 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.304 2.178 5.571 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.515 0.450 5.876 1.00 0.00 C ATOM 0 H VAL A 222 -7.871 1.772 3.025 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.633 0.678 3.400 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.186 2.520 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.299 2.372 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.581 3.088 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -12.026 1.393 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.521 0.643 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.232 -0.338 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.518 0.135 5.570 1.00 0.00 H new ATOM 820 N GLN A 223 -11.396 3.253 2.966 1.00 0.00 N ATOM 821 CA GLN A 223 -11.746 4.510 2.228 1.00 0.00 C ATOM 822 C GLN A 223 -12.601 5.408 3.122 1.00 0.00 C ATOM 823 O GLN A 223 -13.276 4.946 4.024 1.00 0.00 O ATOM 824 CB GLN A 223 -12.520 4.141 0.957 1.00 0.00 C ATOM 825 CG GLN A 223 -12.984 5.401 0.214 1.00 0.00 C ATOM 826 CD GLN A 223 -11.787 6.306 -0.072 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.900 5.934 -0.804 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.723 7.494 0.477 1.00 0.00 N ATOM 0 H GLN A 223 -12.144 2.867 3.542 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.838 5.048 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.888 3.540 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.383 3.528 1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.473 5.124 -0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.721 5.936 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.470 7.811 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.926 8.102 0.286 1.00 0.00 H new ATOM 837 N ASN A 224 -12.560 6.697 2.893 1.00 0.00 N ATOM 838 CA ASN A 224 -13.344 7.632 3.739 1.00 0.00 C ATOM 839 C ASN A 224 -13.736 8.864 2.933 1.00 0.00 C ATOM 840 O ASN A 224 -12.905 9.562 2.374 1.00 0.00 O ATOM 841 CB ASN A 224 -12.486 8.082 4.925 1.00 0.00 C ATOM 842 CG ASN A 224 -11.647 6.906 5.413 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.059 6.151 6.275 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.473 6.717 4.874 1.00 0.00 N ATOM 0 H ASN A 224 -12.014 7.138 2.153 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.241 7.122 4.089 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.839 8.907 4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.122 8.449 5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.894 5.933 5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.135 7.354 4.152 1.00 0.00 H new ATOM 851 N VAL A 225 -14.999 9.150 2.918 1.00 0.00 N ATOM 852 CA VAL A 225 -15.512 10.359 2.217 1.00 0.00 C ATOM 853 C VAL A 225 -15.792 11.389 3.310 1.00 0.00 C ATOM 854 O VAL A 225 -16.263 11.042 4.377 1.00 0.00 O ATOM 855 CB VAL A 225 -16.803 10.017 1.480 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.473 9.143 0.269 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.731 9.255 2.433 1.00 0.00 C ATOM 0 H VAL A 225 -15.718 8.586 3.371 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.798 10.736 1.484 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.296 10.928 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.392 8.895 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.803 9.684 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.989 8.226 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.658 9.005 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.241 8.339 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.955 9.878 3.299 1.00 0.00 H new ATOM 867 N LYS A 226 -15.452 12.631 3.103 1.00 0.00 N ATOM 868 CA LYS A 226 -15.649 13.653 4.188 1.00 0.00 C ATOM 869 C LYS A 226 -16.416 14.879 3.677 1.00 0.00 C ATOM 870 O LYS A 226 -17.053 14.834 2.645 1.00 0.00 O ATOM 871 CB LYS A 226 -14.259 14.024 4.690 1.00 0.00 C ATOM 872 CG LYS A 226 -13.503 12.710 4.990 1.00 0.00 C ATOM 873 CD LYS A 226 -12.154 12.982 5.671 1.00 0.00 C ATOM 874 CE LYS A 226 -12.331 13.082 7.197 1.00 0.00 C ATOM 875 NZ LYS A 226 -12.727 11.751 7.758 1.00 0.00 N ATOM 0 H LYS A 226 -15.048 12.988 2.237 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.255 13.248 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.726 14.610 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.328 14.639 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.114 12.075 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.340 12.162 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.452 12.183 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.726 13.908 5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -11.402 13.417 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -13.091 13.826 7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -13.650 11.834 8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -12.794 11.055 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -12.013 11.438 8.446 1.00 0.00 H new ATOM 889 N GLY A 227 -16.377 15.957 4.427 1.00 0.00 N ATOM 890 CA GLY A 227 -17.115 17.212 4.050 1.00 0.00 C ATOM 891 C GLY A 227 -17.200 17.384 2.525 1.00 0.00 C ATOM 892 O GLY A 227 -18.233 17.143 1.930 1.00 0.00 O ATOM 0 H GLY A 227 -15.855 16.023 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.121 17.183 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.612 18.075 4.486 1.00 0.00 H new ATOM 896 N ILE A 228 -16.128 17.791 1.884 1.00 0.00 N ATOM 897 CA ILE A 228 -16.164 17.960 0.402 1.00 0.00 C ATOM 898 C ILE A 228 -15.860 16.614 -0.248 1.00 0.00 C ATOM 899 O ILE A 228 -15.315 16.537 -1.329 1.00 0.00 O ATOM 900 CB ILE A 228 -15.147 19.022 -0.039 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.721 18.615 0.351 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.482 20.360 0.632 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.737 19.629 -0.236 1.00 0.00 C ATOM 0 H ILE A 228 -15.235 18.012 2.325 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.152 18.299 0.090 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.201 19.116 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.623 18.579 1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.499 17.615 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.760 21.115 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.484 20.673 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.440 20.244 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.720 19.348 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.832 19.642 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.958 20.621 0.159 1.00 0.00 H new ATOM 915 N HIS A 229 -16.209 15.555 0.436 1.00 0.00 N ATOM 916 CA HIS A 229 -15.965 14.170 -0.090 1.00 0.00 C ATOM 917 C HIS A 229 -14.469 13.944 -0.312 1.00 0.00 C ATOM 918 O HIS A 229 -14.047 13.539 -1.378 1.00 0.00 O ATOM 919 CB HIS A 229 -16.713 13.954 -1.409 1.00 0.00 C ATOM 920 CG HIS A 229 -18.185 14.213 -1.220 1.00 0.00 C ATOM 921 ND1 HIS A 229 -19.012 13.357 -0.503 1.00 0.00 N ATOM 922 CD2 HIS A 229 -19.000 15.225 -1.667 1.00 0.00 C ATOM 923 CE1 HIS A 229 -20.263 13.865 -0.549 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.306 15.005 -1.246 1.00 0.00 N ATOM 0 H HIS A 229 -16.660 15.588 1.351 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.333 13.457 0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.315 14.619 -2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.558 12.934 -1.761 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.674 16.068 -2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -21.122 13.407 -0.081 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -21.122 15.588 -1.429 1.00 0.00 H new ATOM 932 N LYS A 230 -13.662 14.196 0.680 1.00 0.00 N ATOM 933 CA LYS A 230 -12.200 13.985 0.504 1.00 0.00 C ATOM 934 C LYS A 230 -11.901 12.491 0.477 1.00 0.00 C ATOM 935 O LYS A 230 -12.188 11.765 1.405 1.00 0.00 O ATOM 936 CB LYS A 230 -11.438 14.652 1.647 1.00 0.00 C ATOM 937 CG LYS A 230 -11.665 16.167 1.567 1.00 0.00 C ATOM 938 CD LYS A 230 -10.758 16.910 2.565 1.00 0.00 C ATOM 939 CE LYS A 230 -11.436 16.973 3.939 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.467 17.457 4.964 1.00 0.00 N ATOM 0 H LYS A 230 -13.949 14.536 1.598 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.881 14.431 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.783 14.268 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.374 14.424 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.462 16.517 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.710 16.394 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -9.798 16.400 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.554 17.918 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.298 17.639 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.808 15.987 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.934 17.497 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -9.658 16.806 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.132 18.407 4.704 1.00 0.00 H new ATOM 954 N ASN A 231 -11.341 12.032 -0.600 1.00 0.00 N ATOM 955 CA ASN A 231 -11.028 10.591 -0.727 1.00 0.00 C ATOM 956 C ASN A 231 -9.732 10.274 0.031 1.00 0.00 C ATOM 957 O ASN A 231 -8.690 10.803 -0.286 1.00 0.00 O ATOM 958 CB ASN A 231 -10.828 10.255 -2.213 1.00 0.00 C ATOM 959 CG ASN A 231 -11.859 11.003 -3.067 1.00 0.00 C ATOM 960 OD1 ASN A 231 -13.050 10.792 -2.930 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.444 11.873 -3.956 1.00 0.00 N ATOM 0 H ASN A 231 -11.084 12.601 -1.406 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.846 10.003 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.820 10.530 -2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.928 9.181 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.119 12.374 -4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.446 12.049 -4.070 1.00 0.00 H new ATOM 968 N THR A 232 -9.772 9.405 1.007 1.00 0.00 N ATOM 969 CA THR A 232 -8.512 9.064 1.742 1.00 0.00 C ATOM 970 C THR A 232 -8.456 7.568 2.008 1.00 0.00 C ATOM 971 O THR A 232 -9.442 6.945 2.353 1.00 0.00 O ATOM 972 CB THR A 232 -8.462 9.822 3.058 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.555 9.430 3.883 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.534 11.319 2.784 1.00 0.00 C ATOM 0 H THR A 232 -10.611 8.920 1.326 1.00 0.00 H new ATOM 0 HA THR A 232 -7.656 9.350 1.131 1.00 0.00 H new ATOM 0 HB THR A 232 -7.529 9.592 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.517 9.920 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.498 11.864 3.727 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.690 11.616 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.465 11.550 2.267 1.00 0.00 H new ATOM 982 N TRP A 233 -7.292 6.993 1.832 1.00 0.00 N ATOM 983 CA TRP A 233 -7.108 5.525 2.051 1.00 0.00 C ATOM 984 C TRP A 233 -6.167 5.276 3.228 1.00 0.00 C ATOM 985 O TRP A 233 -5.192 5.979 3.409 1.00 0.00 O ATOM 986 CB TRP A 233 -6.503 4.896 0.795 1.00 0.00 C ATOM 987 CG TRP A 233 -7.532 4.857 -0.280 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.846 5.886 -1.098 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.391 3.753 -0.658 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.836 5.476 -1.969 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.210 4.165 -1.734 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.533 2.441 -0.183 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.148 3.307 -2.309 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.476 1.577 -0.757 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.279 2.005 -1.820 1.00 0.00 C ATOM 0 H TRP A 233 -6.448 7.487 1.541 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.079 5.080 2.266 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.638 5.472 0.466 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.150 3.888 1.013 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.396 6.868 -1.074 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.241 6.066 -2.695 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.912 2.094 0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.768 3.647 -3.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.584 0.572 -0.375 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.998 1.331 -2.261 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.455 4.259 4.010 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.583 3.913 5.181 1.00 0.00 C ATOM 1008 C GLU A 234 -5.305 2.404 5.166 1.00 0.00 C ATOM 1009 O GLU A 234 -6.177 1.603 4.894 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.311 4.260 6.481 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.537 5.768 6.570 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.136 6.103 7.941 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.260 5.704 8.185 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.458 6.750 8.723 1.00 0.00 O ATOM 0 H GLU A 234 -7.263 3.650 3.885 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.650 4.473 5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.267 3.738 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.726 3.921 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.595 6.299 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.208 6.096 5.776 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.104 2.000 5.471 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.808 0.539 5.481 1.00 0.00 C ATOM 1023 C LEU A 235 -4.567 -0.090 6.645 1.00 0.00 C ATOM 1024 O LEU A 235 -4.313 0.229 7.788 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.306 0.332 5.674 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.535 0.875 4.466 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.036 0.736 4.745 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.899 0.087 3.194 1.00 0.00 C ATOM 0 H LEU A 235 -3.322 2.609 5.711 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.113 0.079 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.976 0.837 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.092 -0.729 5.804 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.797 1.921 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.529 1.118 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.222 1.305 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.209 -0.315 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.342 0.487 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.645 -0.964 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.968 0.180 3.002 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.509 -0.968 6.372 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.293 -1.593 7.479 1.00 0.00 C ATOM 1042 C LYS A 236 -5.349 -2.448 8.352 1.00 0.00 C ATOM 1043 O LYS A 236 -4.823 -3.438 7.889 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.401 -2.492 6.896 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.424 -2.821 7.997 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.732 -3.350 7.375 1.00 0.00 C ATOM 1047 CE LYS A 236 -9.516 -4.767 6.838 1.00 0.00 C ATOM 1048 NZ LYS A 236 -10.832 -5.378 6.487 1.00 0.00 N ATOM 0 H LYS A 236 -5.764 -1.274 5.433 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.749 -0.809 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.894 -1.988 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.968 -3.411 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.010 -3.566 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.630 -1.929 8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -10.526 -3.352 8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -10.054 -2.691 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -8.871 -4.739 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -9.009 -5.376 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -10.682 -6.340 6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -11.433 -5.419 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.299 -4.801 5.759 1.00 0.00 H new ATOM 1062 N PRO A 237 -5.123 -2.084 9.604 1.00 0.00 N ATOM 1063 CA PRO A 237 -4.231 -2.855 10.516 1.00 0.00 C ATOM 1064 C PRO A 237 -4.981 -3.945 11.286 1.00 0.00 C ATOM 1065 O PRO A 237 -4.466 -4.539 12.217 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.735 -1.770 11.469 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.912 -0.860 11.639 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.689 -0.910 10.308 1.00 0.00 C ATOM 0 HA PRO A 237 -3.443 -3.388 9.984 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.418 -2.193 12.422 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.878 -1.239 11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.539 -1.186 12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.589 0.157 11.863 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.760 -1.024 10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.552 0.005 9.732 1.00 0.00 H new ATOM 1076 N GLU A 238 -6.206 -4.177 10.928 1.00 0.00 N ATOM 1077 CA GLU A 238 -7.022 -5.190 11.652 1.00 0.00 C ATOM 1078 C GLU A 238 -6.308 -6.554 11.677 1.00 0.00 C ATOM 1079 O GLU A 238 -6.278 -7.210 12.699 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.393 -5.335 10.965 1.00 0.00 C ATOM 1081 CG GLU A 238 -9.228 -4.063 11.187 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.578 -3.921 12.674 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.295 -4.772 13.180 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.124 -2.966 13.280 1.00 0.00 O ATOM 0 H GLU A 238 -6.684 -3.707 10.159 1.00 0.00 H new ATOM 0 HA GLU A 238 -7.159 -4.854 12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.258 -5.510 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.920 -6.201 11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.671 -3.189 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -10.140 -4.108 10.592 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.737 -6.997 10.573 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.040 -8.332 10.570 1.00 0.00 C ATOM 1093 C TYR A 239 -3.661 -8.258 9.896 1.00 0.00 C ATOM 1094 O TYR A 239 -3.115 -9.273 9.512 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.904 -9.341 9.826 1.00 0.00 C ATOM 1096 CG TYR A 239 -5.991 -8.958 8.377 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.805 -7.889 7.985 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.255 -9.666 7.422 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -6.887 -7.528 6.635 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.335 -9.307 6.076 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.151 -8.241 5.681 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.225 -7.894 4.349 1.00 0.00 O ATOM 0 H TYR A 239 -5.723 -6.498 9.684 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.891 -8.636 11.606 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.480 -10.340 9.924 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.901 -9.374 10.264 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.370 -7.342 8.725 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.626 -10.489 7.726 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.515 -6.704 6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -4.766 -9.853 5.338 1.00 0.00 H new ATOM 0 HH TYR A 239 -6.977 -7.281 4.212 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.080 -7.099 9.749 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.739 -7.044 9.092 1.00 0.00 C ATOM 1114 C ARG A 240 -0.660 -7.585 10.045 1.00 0.00 C ATOM 1115 O ARG A 240 -0.179 -6.884 10.916 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.408 -5.589 8.707 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.105 -5.196 7.382 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.186 -5.466 6.173 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.092 -6.928 5.892 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.691 -7.335 4.719 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.395 -6.456 3.795 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.584 -8.611 4.473 1.00 0.00 N ATOM 0 H ARG A 240 -3.464 -6.203 10.048 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.760 -7.661 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.726 -4.916 9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.329 -5.472 8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -3.031 -5.760 7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -2.376 -4.141 7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.571 -4.947 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -0.192 -5.065 6.370 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.340 -7.606 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.478 -5.459 3.994 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -0.081 -6.768 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.814 -9.291 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -0.271 -8.929 3.556 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.265 -8.824 9.856 1.00 0.00 N ATOM 1137 CA HIS A 241 0.801 -9.430 10.712 1.00 0.00 C ATOM 1138 C HIS A 241 2.130 -8.771 10.342 1.00 0.00 C ATOM 1139 O HIS A 241 3.059 -8.721 11.120 1.00 0.00 O ATOM 1140 CB HIS A 241 0.856 -10.935 10.435 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.467 -11.556 10.804 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.733 -12.017 12.082 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.606 -11.795 10.075 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -1.988 -12.506 12.081 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.564 -12.395 10.887 1.00 0.00 N ATOM 0 H HIS A 241 -0.640 -9.444 9.139 1.00 0.00 H new ATOM 0 HA HIS A 241 0.596 -9.274 11.771 1.00 0.00 H new ATOM 0 HB2 HIS A 241 1.075 -11.115 9.383 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.660 -11.394 11.011 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.738 -11.554 9.031 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.469 -12.937 12.946 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.505 -12.687 10.623 1.00 0.00 H new ATOM 1153 N TYR A 242 2.192 -8.247 9.143 1.00 0.00 N ATOM 1154 CA TYR A 242 3.421 -7.548 8.656 1.00 0.00 C ATOM 1155 C TYR A 242 3.128 -6.041 8.614 1.00 0.00 C ATOM 1156 O TYR A 242 2.138 -5.617 8.059 1.00 0.00 O ATOM 1157 CB TYR A 242 3.755 -8.051 7.239 1.00 0.00 C ATOM 1158 CG TYR A 242 4.784 -7.141 6.594 1.00 0.00 C ATOM 1159 CD1 TYR A 242 6.152 -7.344 6.816 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.357 -6.081 5.783 1.00 0.00 C ATOM 1161 CE1 TYR A 242 7.090 -6.484 6.230 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.294 -5.227 5.199 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.657 -5.427 5.423 1.00 0.00 C ATOM 1164 OH TYR A 242 7.573 -4.578 4.843 1.00 0.00 O ATOM 0 H TYR A 242 1.427 -8.275 8.468 1.00 0.00 H new ATOM 0 HA TYR A 242 4.266 -7.747 9.316 1.00 0.00 H new ATOM 0 HB2 TYR A 242 4.138 -9.070 7.287 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.850 -8.079 6.631 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.483 -8.162 7.438 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.303 -5.925 5.610 1.00 0.00 H new ATOM 0 HE1 TYR A 242 8.145 -6.637 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.964 -4.411 4.573 1.00 0.00 H new ATOM 0 HH TYR A 242 7.102 -3.901 4.314 1.00 0.00 H new ATOM 1174 N GLN A 243 3.980 -5.232 9.195 1.00 0.00 N ATOM 1175 CA GLN A 243 3.728 -3.758 9.175 1.00 0.00 C ATOM 1176 C GLN A 243 4.950 -3.009 9.724 1.00 0.00 C ATOM 1177 O GLN A 243 6.082 -3.332 9.422 1.00 0.00 O ATOM 1178 CB GLN A 243 2.498 -3.436 10.035 1.00 0.00 C ATOM 1179 CG GLN A 243 2.765 -3.834 11.486 1.00 0.00 C ATOM 1180 CD GLN A 243 1.474 -3.720 12.290 1.00 0.00 C ATOM 1181 OE1 GLN A 243 1.016 -2.633 12.597 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.865 -4.811 12.642 1.00 0.00 N ATOM 0 H GLN A 243 4.830 -5.524 9.677 1.00 0.00 H new ATOM 0 HA GLN A 243 3.548 -3.441 8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 243 2.270 -2.372 9.976 1.00 0.00 H new ATOM 0 HB3 GLN A 243 1.627 -3.970 9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.145 -4.855 11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 243 3.532 -3.190 11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.253 -5.718 12.382 1.00 0.00 H new ATOM 0 HE22 GLN A 243 -0.001 -4.761 13.178 1.00 0.00 H new TER 1191 GLN A 243