USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 224 ASN : amide:sc= -1.06! C(o=-1.8!,f=-2.3!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.791 USER MOD Set 2.1: A 182 HIS : no HD1:sc= -0.0578 X(o=-0.099,f=-0.38) USER MOD Set 2.2: A 186 MET CE :methyl 172:sc= -0.0412 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ -145:sc= 1.3 (180deg=0.245) USER MOD Single : A 181 GLN : amide:sc= -4.81! C(o=-4.8!,f=-3.5!) USER MOD Single : A 189 SER OG : rot -32:sc= 0.0956 USER MOD Single : A 193 LYS NZ :NH3+ -156:sc= -0.145 (180deg=-0.883) USER MOD Single : A 194 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.92) USER MOD Single : A 195 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 63:sc= 0.587 USER MOD Single : A 198 ASN : amide:sc= -3.42! C(o=-3.4!,f=-15!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot 39:sc= 0.46 USER MOD Single : A 207 LYS NZ :NH3+ 163:sc= -0.0293 (180deg=-0.325) USER MOD Single : A 208 GLN : amide:sc= -3.11! C(o=-3.1!,f=-3.8!) USER MOD Single : A 212 TYR OH : rot 62:sc= 0.396 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0764) USER MOD Single : A 223 GLN : amide:sc= -13.4! C(o=-13!,f=-2.7!) USER MOD Single : A 226 LYS NZ :NH3+ -158:sc= -1.32 (180deg=-1.89) USER MOD Single : A 229 HIS : no HD1:sc= -0.614 X(o=-0.61,f=-0.47) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -14:sc= -1.74! USER MOD Single : A 241 HIS : no HD1:sc= -0.59 K(o=-0.59,f=-0.034) USER MOD Single : A 242 TYR OH : rot 133:sc= 0.898 USER MOD Single : A 243 GLN : amide:sc= -0.0963 K(o=-0.096,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 2.750 -14.135 -10.145 1.00 0.00 N ATOM 2 CA ARG A 175 2.722 -13.272 -11.360 1.00 0.00 C ATOM 3 C ARG A 175 3.112 -11.840 -10.984 1.00 0.00 C ATOM 4 O ARG A 175 4.179 -11.603 -10.450 1.00 0.00 O ATOM 5 CB ARG A 175 1.317 -13.271 -11.963 1.00 0.00 C ATOM 6 CG ARG A 175 0.284 -12.998 -10.858 1.00 0.00 C ATOM 7 CD ARG A 175 -1.020 -12.501 -11.480 1.00 0.00 C ATOM 8 NE ARG A 175 -1.629 -13.592 -12.291 1.00 0.00 N ATOM 9 CZ ARG A 175 -2.862 -13.490 -12.697 1.00 0.00 C ATOM 10 NH1 ARG A 175 -3.569 -12.437 -12.384 1.00 0.00 N ATOM 11 NH2 ARG A 175 -3.401 -14.445 -13.395 1.00 0.00 N ATOM 0 HA ARG A 175 3.430 -13.663 -12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.244 -12.510 -12.740 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.113 -14.231 -12.437 1.00 0.00 H new ATOM 0 HG2 ARG A 175 0.101 -13.907 -10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 175 0.671 -12.255 -10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -1.711 -12.185 -10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -0.828 -11.630 -12.107 1.00 0.00 H new ATOM 0 HE ARG A 175 -1.080 -14.419 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -3.155 -11.694 -11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -4.535 -12.358 -12.703 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -2.858 -15.277 -13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -4.367 -14.362 -13.712 1.00 0.00 H new ATOM 25 N ALA A 176 2.260 -10.884 -11.253 1.00 0.00 N ATOM 26 CA ALA A 176 2.591 -9.482 -10.906 1.00 0.00 C ATOM 27 C ALA A 176 2.521 -9.308 -9.392 1.00 0.00 C ATOM 28 O ALA A 176 2.572 -8.206 -8.888 1.00 0.00 O ATOM 29 CB ALA A 176 1.593 -8.539 -11.580 1.00 0.00 C ATOM 0 H ALA A 176 1.352 -11.020 -11.698 1.00 0.00 H new ATOM 0 HA ALA A 176 3.597 -9.247 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.837 -7.508 -11.324 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.645 -8.667 -12.661 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.585 -8.769 -11.235 1.00 0.00 H new ATOM 35 N ARG A 177 2.406 -10.386 -8.660 1.00 0.00 N ATOM 36 CA ARG A 177 2.335 -10.261 -7.182 1.00 0.00 C ATOM 37 C ARG A 177 3.683 -9.771 -6.661 1.00 0.00 C ATOM 38 O ARG A 177 3.796 -9.312 -5.540 1.00 0.00 O ATOM 39 CB ARG A 177 2.004 -11.612 -6.539 1.00 0.00 C ATOM 40 CG ARG A 177 1.919 -11.446 -5.008 1.00 0.00 C ATOM 41 CD ARG A 177 1.100 -12.590 -4.409 1.00 0.00 C ATOM 42 NE ARG A 177 0.889 -12.360 -2.937 1.00 0.00 N ATOM 43 CZ ARG A 177 1.894 -12.241 -2.104 1.00 0.00 C ATOM 44 NH1 ARG A 177 3.117 -12.471 -2.494 1.00 0.00 N ATOM 45 NH2 ARG A 177 1.667 -11.941 -0.856 1.00 0.00 N ATOM 0 H ARG A 177 2.359 -11.338 -9.022 1.00 0.00 H new ATOM 0 HA ARG A 177 1.548 -9.552 -6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.058 -11.990 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 177 2.769 -12.345 -6.794 1.00 0.00 H new ATOM 0 HG2 ARG A 177 2.920 -11.439 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.459 -10.489 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 177 0.137 -12.662 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.615 -13.538 -4.567 1.00 0.00 H new ATOM 0 HE ARG A 177 -0.063 -12.295 -2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 177 3.301 -12.747 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 177 3.889 -12.374 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 177 0.710 -11.800 -0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 177 2.446 -11.847 -0.204 1.00 0.00 H new ATOM 59 N ALA A 178 4.710 -9.848 -7.461 1.00 0.00 N ATOM 60 CA ALA A 178 6.033 -9.359 -6.985 1.00 0.00 C ATOM 61 C ALA A 178 5.905 -7.877 -6.674 1.00 0.00 C ATOM 62 O ALA A 178 6.325 -7.398 -5.638 1.00 0.00 O ATOM 63 CB ALA A 178 7.082 -9.514 -8.093 1.00 0.00 C ATOM 0 H ALA A 178 4.692 -10.222 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 178 6.336 -9.931 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.046 -9.153 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.167 -10.565 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.779 -8.934 -8.965 1.00 0.00 H new ATOM 69 N ASP A 179 5.322 -7.142 -7.579 1.00 0.00 N ATOM 70 CA ASP A 179 5.153 -5.689 -7.360 1.00 0.00 C ATOM 71 C ASP A 179 4.224 -5.459 -6.181 1.00 0.00 C ATOM 72 O ASP A 179 4.406 -4.551 -5.411 1.00 0.00 O ATOM 73 CB ASP A 179 4.554 -5.043 -8.609 1.00 0.00 C ATOM 74 CG ASP A 179 5.593 -5.062 -9.724 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.772 -5.015 -9.409 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.197 -5.126 -10.876 1.00 0.00 O ATOM 0 H ASP A 179 4.955 -7.492 -8.464 1.00 0.00 H new ATOM 0 HA ASP A 179 6.126 -5.243 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.659 -5.582 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.251 -4.018 -8.394 1.00 0.00 H new ATOM 81 N LYS A 180 3.221 -6.271 -6.042 1.00 0.00 N ATOM 82 CA LYS A 180 2.280 -6.088 -4.908 1.00 0.00 C ATOM 83 C LYS A 180 3.050 -5.990 -3.597 1.00 0.00 C ATOM 84 O LYS A 180 2.954 -5.022 -2.881 1.00 0.00 O ATOM 85 CB LYS A 180 1.335 -7.289 -4.851 1.00 0.00 C ATOM 86 CG LYS A 180 0.407 -7.180 -3.636 1.00 0.00 C ATOM 87 CD LYS A 180 -0.659 -8.280 -3.721 1.00 0.00 C ATOM 88 CE LYS A 180 -1.606 -8.218 -2.514 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.669 -9.250 -2.674 1.00 0.00 N ATOM 0 H LYS A 180 3.011 -7.053 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 180 1.713 -5.169 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 180 0.744 -7.338 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 180 1.912 -8.212 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 180 0.980 -7.282 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -0.066 -6.198 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -1.230 -8.168 -4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.177 -9.257 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.051 -8.390 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -2.053 -7.227 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.564 -8.890 -2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.793 -9.467 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.393 -10.114 -2.166 1.00 0.00 H new ATOM 103 N GLN A 181 3.823 -6.984 -3.286 1.00 0.00 N ATOM 104 CA GLN A 181 4.596 -6.959 -2.014 1.00 0.00 C ATOM 105 C GLN A 181 5.552 -5.762 -2.004 1.00 0.00 C ATOM 106 O GLN A 181 5.611 -5.006 -1.059 1.00 0.00 O ATOM 107 CB GLN A 181 5.376 -8.262 -1.912 1.00 0.00 C ATOM 108 CG GLN A 181 6.071 -8.368 -0.556 1.00 0.00 C ATOM 109 CD GLN A 181 7.310 -7.474 -0.527 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.324 -7.796 -1.112 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.265 -6.347 0.133 1.00 0.00 N ATOM 0 H GLN A 181 3.956 -7.818 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 181 3.923 -6.859 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 181 4.702 -9.107 -2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.116 -8.313 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.383 -8.075 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.356 -9.403 -0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.413 -6.077 0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.082 -5.737 0.157 1.00 0.00 H new ATOM 120 N HIS A 182 6.285 -5.585 -3.063 1.00 0.00 N ATOM 121 CA HIS A 182 7.233 -4.451 -3.136 1.00 0.00 C ATOM 122 C HIS A 182 6.451 -3.138 -3.148 1.00 0.00 C ATOM 123 O HIS A 182 6.889 -2.137 -2.612 1.00 0.00 O ATOM 124 CB HIS A 182 8.058 -4.615 -4.404 1.00 0.00 C ATOM 125 CG HIS A 182 9.025 -3.489 -4.530 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.655 -2.909 -3.443 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.449 -2.809 -5.627 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.419 -1.908 -3.914 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.332 -1.804 -5.244 1.00 0.00 N ATOM 0 H HIS A 182 6.266 -6.185 -3.888 1.00 0.00 H new ATOM 0 HA HIS A 182 7.898 -4.435 -2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.593 -5.564 -4.380 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.402 -4.641 -5.274 1.00 0.00 H new ATOM 0 HD2 HIS A 182 9.147 -3.017 -6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.028 -1.267 -3.294 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.809 -1.134 -5.847 1.00 0.00 H new ATOM 137 N VAL A 183 5.290 -3.140 -3.732 1.00 0.00 N ATOM 138 CA VAL A 183 4.480 -1.901 -3.752 1.00 0.00 C ATOM 139 C VAL A 183 4.028 -1.588 -2.322 1.00 0.00 C ATOM 140 O VAL A 183 3.966 -0.443 -1.923 1.00 0.00 O ATOM 141 CB VAL A 183 3.253 -2.100 -4.659 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.267 -0.942 -4.457 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.684 -2.162 -6.148 1.00 0.00 C ATOM 0 H VAL A 183 4.869 -3.945 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 183 5.073 -1.073 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 183 2.771 -3.041 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.399 -1.086 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.946 -0.915 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.754 -0.001 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.804 -2.303 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.180 -1.231 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.371 -2.996 -6.294 1.00 0.00 H new ATOM 153 N LEU A 184 3.721 -2.592 -1.543 1.00 0.00 N ATOM 154 CA LEU A 184 3.278 -2.315 -0.150 1.00 0.00 C ATOM 155 C LEU A 184 4.399 -1.583 0.585 1.00 0.00 C ATOM 156 O LEU A 184 4.158 -0.645 1.313 1.00 0.00 O ATOM 157 CB LEU A 184 2.961 -3.636 0.559 1.00 0.00 C ATOM 158 CG LEU A 184 1.682 -4.247 -0.029 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.476 -5.639 0.584 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.458 -3.357 0.272 1.00 0.00 C ATOM 0 H LEU A 184 3.758 -3.576 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 184 2.381 -1.696 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.793 -4.330 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.835 -3.465 1.628 1.00 0.00 H new ATOM 0 HG LEU A 184 1.786 -4.322 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.570 -6.086 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.332 -6.271 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.380 -5.549 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.436 -3.811 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.336 -3.259 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.609 -2.371 -0.167 1.00 0.00 H new ATOM 172 N ASP A 185 5.625 -1.983 0.388 1.00 0.00 N ATOM 173 CA ASP A 185 6.743 -1.281 1.072 1.00 0.00 C ATOM 174 C ASP A 185 6.638 0.217 0.777 1.00 0.00 C ATOM 175 O ASP A 185 6.812 1.050 1.649 1.00 0.00 O ATOM 176 CB ASP A 185 8.078 -1.807 0.548 1.00 0.00 C ATOM 177 CG ASP A 185 8.297 -3.232 1.055 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.555 -3.648 1.929 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.202 -3.886 0.562 1.00 0.00 O ATOM 0 H ASP A 185 5.898 -2.760 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 185 6.685 -1.456 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.085 -1.792 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.891 -1.162 0.881 1.00 0.00 H new ATOM 184 N MET A 186 6.340 0.574 -0.444 1.00 0.00 N ATOM 185 CA MET A 186 6.209 2.020 -0.788 1.00 0.00 C ATOM 186 C MET A 186 5.051 2.630 -0.002 1.00 0.00 C ATOM 187 O MET A 186 5.084 3.777 0.384 1.00 0.00 O ATOM 188 CB MET A 186 5.929 2.155 -2.288 1.00 0.00 C ATOM 189 CG MET A 186 7.110 1.587 -3.074 1.00 0.00 C ATOM 190 SD MET A 186 8.595 2.566 -2.746 1.00 0.00 S ATOM 191 CE MET A 186 9.798 1.296 -3.201 1.00 0.00 C ATOM 0 H MET A 186 6.182 -0.072 -1.217 1.00 0.00 H new ATOM 0 HA MET A 186 7.132 2.541 -0.535 1.00 0.00 H new ATOM 0 HB2 MET A 186 5.014 1.623 -2.548 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.774 3.202 -2.548 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.279 0.548 -2.792 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.886 1.596 -4.141 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.798 1.729 -3.211 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.761 0.483 -2.475 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.561 0.909 -4.192 1.00 0.00 H new ATOM 201 N LEU A 187 4.026 1.869 0.248 1.00 0.00 N ATOM 202 CA LEU A 187 2.889 2.423 1.018 1.00 0.00 C ATOM 203 C LEU A 187 3.339 2.689 2.458 1.00 0.00 C ATOM 204 O LEU A 187 3.071 3.735 3.013 1.00 0.00 O ATOM 205 CB LEU A 187 1.736 1.419 1.055 1.00 0.00 C ATOM 206 CG LEU A 187 1.265 1.042 -0.357 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.017 0.144 -0.248 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.919 2.304 -1.162 1.00 0.00 C ATOM 0 H LEU A 187 3.929 0.897 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 187 2.558 3.345 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.053 0.521 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.903 1.843 1.616 1.00 0.00 H new ATOM 0 HG LEU A 187 2.066 0.509 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.324 -0.128 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.266 -0.759 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.775 0.683 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.587 2.019 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.123 2.851 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.802 2.939 -1.241 1.00 0.00 H new ATOM 220 N PHE A 188 4.016 1.761 3.076 1.00 0.00 N ATOM 221 CA PHE A 188 4.452 2.000 4.478 1.00 0.00 C ATOM 222 C PHE A 188 5.295 3.269 4.525 1.00 0.00 C ATOM 223 O PHE A 188 5.152 4.088 5.412 1.00 0.00 O ATOM 224 CB PHE A 188 5.260 0.805 4.997 1.00 0.00 C ATOM 225 CG PHE A 188 4.328 -0.319 5.383 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.735 -0.315 6.649 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.049 -1.353 4.481 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.868 -1.352 7.017 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.184 -2.392 4.848 1.00 0.00 C ATOM 230 CZ PHE A 188 2.590 -2.390 6.114 1.00 0.00 C ATOM 0 H PHE A 188 4.283 0.861 2.677 1.00 0.00 H new ATOM 0 HA PHE A 188 3.576 2.120 5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.955 0.465 4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.857 1.105 5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.945 0.486 7.342 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.502 -1.350 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.413 -1.353 7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 188 2.976 -3.193 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.918 -3.187 6.397 1.00 0.00 H new ATOM 240 N SER A 189 6.149 3.463 3.572 1.00 0.00 N ATOM 241 CA SER A 189 6.960 4.702 3.573 1.00 0.00 C ATOM 242 C SER A 189 6.008 5.894 3.456 1.00 0.00 C ATOM 243 O SER A 189 6.143 6.896 4.141 1.00 0.00 O ATOM 244 CB SER A 189 7.901 4.688 2.377 1.00 0.00 C ATOM 245 OG SER A 189 7.135 4.674 1.185 1.00 0.00 O ATOM 0 H SER A 189 6.321 2.823 2.796 1.00 0.00 H new ATOM 0 HA SER A 189 7.546 4.773 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.549 5.565 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.549 3.812 2.418 1.00 0.00 H new ATOM 0 HG SER A 189 6.297 4.191 1.341 1.00 0.00 H new ATOM 251 N ALA A 190 5.036 5.786 2.598 1.00 0.00 N ATOM 252 CA ALA A 190 4.063 6.894 2.430 1.00 0.00 C ATOM 253 C ALA A 190 3.259 7.060 3.724 1.00 0.00 C ATOM 254 O ALA A 190 3.128 8.142 4.247 1.00 0.00 O ATOM 255 CB ALA A 190 3.118 6.552 1.280 1.00 0.00 C ATOM 0 H ALA A 190 4.874 4.973 2.003 1.00 0.00 H new ATOM 0 HA ALA A 190 4.589 7.823 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.398 7.360 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.693 6.424 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.588 5.627 1.508 1.00 0.00 H new ATOM 261 N PHE A 191 2.724 5.978 4.229 1.00 0.00 N ATOM 262 CA PHE A 191 1.915 6.046 5.482 1.00 0.00 C ATOM 263 C PHE A 191 2.807 6.372 6.687 1.00 0.00 C ATOM 264 O PHE A 191 2.335 6.830 7.709 1.00 0.00 O ATOM 265 CB PHE A 191 1.184 4.713 5.688 1.00 0.00 C ATOM 266 CG PHE A 191 -0.049 4.683 4.811 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.157 5.465 5.159 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.077 3.899 3.655 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.295 5.463 4.349 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.218 3.895 2.840 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.330 4.678 3.188 1.00 0.00 C ATOM 0 H PHE A 191 2.814 5.046 3.825 1.00 0.00 H new ATOM 0 HA PHE A 191 1.179 6.845 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.843 3.881 5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.904 4.596 6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.132 6.070 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.779 3.297 3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.149 6.067 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.241 3.290 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.211 4.676 2.563 1.00 0.00 H new ATOM 281 N GLU A 192 4.086 6.166 6.578 1.00 0.00 N ATOM 282 CA GLU A 192 4.981 6.504 7.721 1.00 0.00 C ATOM 283 C GLU A 192 5.037 8.026 7.857 1.00 0.00 C ATOM 284 O GLU A 192 5.237 8.554 8.933 1.00 0.00 O ATOM 285 CB GLU A 192 6.392 5.955 7.467 1.00 0.00 C ATOM 286 CG GLU A 192 7.292 6.224 8.685 1.00 0.00 C ATOM 287 CD GLU A 192 7.748 7.686 8.687 1.00 0.00 C ATOM 288 OE1 GLU A 192 7.715 8.300 7.634 1.00 0.00 O ATOM 289 OE2 GLU A 192 8.127 8.165 9.744 1.00 0.00 O ATOM 0 H GLU A 192 4.551 5.782 5.755 1.00 0.00 H new ATOM 0 HA GLU A 192 4.595 6.057 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.344 4.884 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.818 6.423 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 192 6.750 6.002 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 192 8.159 5.564 8.660 1.00 0.00 H new ATOM 296 N LYS A 193 4.882 8.738 6.769 1.00 0.00 N ATOM 297 CA LYS A 193 4.946 10.225 6.839 1.00 0.00 C ATOM 298 C LYS A 193 3.577 10.798 7.248 1.00 0.00 C ATOM 299 O LYS A 193 3.497 11.811 7.918 1.00 0.00 O ATOM 300 CB LYS A 193 5.362 10.771 5.465 1.00 0.00 C ATOM 301 CG LYS A 193 6.856 10.514 5.238 1.00 0.00 C ATOM 302 CD LYS A 193 7.278 11.085 3.884 1.00 0.00 C ATOM 303 CE LYS A 193 8.781 10.869 3.682 1.00 0.00 C ATOM 304 NZ LYS A 193 9.529 11.464 4.823 1.00 0.00 N ATOM 0 H LYS A 193 4.715 8.353 5.839 1.00 0.00 H new ATOM 0 HA LYS A 193 5.679 10.525 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.777 10.291 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.154 11.840 5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.439 10.975 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 193 7.060 9.444 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.720 10.600 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.044 12.148 3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.999 9.804 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 193 9.102 11.326 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.499 11.688 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 9.053 12.335 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 9.558 10.786 5.611 1.00 0.00 H new ATOM 318 N HIS A 194 2.501 10.154 6.865 1.00 0.00 N ATOM 319 CA HIS A 194 1.148 10.672 7.247 1.00 0.00 C ATOM 320 C HIS A 194 0.161 9.516 7.364 1.00 0.00 C ATOM 321 O HIS A 194 0.238 8.528 6.666 1.00 0.00 O ATOM 322 CB HIS A 194 0.661 11.675 6.195 1.00 0.00 C ATOM 323 CG HIS A 194 1.388 12.982 6.374 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.081 13.594 5.347 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.532 13.794 7.464 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.608 14.730 5.835 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.303 14.898 7.124 1.00 0.00 N ATOM 0 H HIS A 194 2.499 9.299 6.309 1.00 0.00 H new ATOM 0 HA HIS A 194 1.217 11.174 8.212 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.837 11.283 5.194 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.414 11.828 6.293 1.00 0.00 H new ATOM 0 HD2 HIS A 194 1.111 13.606 8.440 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.204 15.421 5.257 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.578 15.672 7.729 1.00 0.00 H new ATOM 335 N GLN A 195 -0.757 9.630 8.264 1.00 0.00 N ATOM 336 CA GLN A 195 -1.750 8.549 8.462 1.00 0.00 C ATOM 337 C GLN A 195 -2.667 8.418 7.236 1.00 0.00 C ATOM 338 O GLN A 195 -3.148 7.342 6.947 1.00 0.00 O ATOM 339 CB GLN A 195 -2.591 8.869 9.710 1.00 0.00 C ATOM 340 CG GLN A 195 -3.537 7.703 10.031 1.00 0.00 C ATOM 341 CD GLN A 195 -2.726 6.484 10.447 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.192 6.431 11.541 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.615 5.488 9.617 1.00 0.00 N ATOM 0 H GLN A 195 -0.867 10.435 8.881 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.225 7.603 8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.935 9.058 10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.168 9.779 9.544 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.221 7.987 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.147 7.466 9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -3.063 5.535 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.080 4.661 9.882 1.00 0.00 H new ATOM 352 N TYR A 196 -2.960 9.502 6.546 1.00 0.00 N ATOM 353 CA TYR A 196 -3.914 9.424 5.381 1.00 0.00 C ATOM 354 C TYR A 196 -3.261 9.784 4.036 1.00 0.00 C ATOM 355 O TYR A 196 -2.357 10.589 3.947 1.00 0.00 O ATOM 356 CB TYR A 196 -5.051 10.409 5.638 1.00 0.00 C ATOM 357 CG TYR A 196 -5.780 10.033 6.911 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.871 9.159 6.856 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.377 10.571 8.138 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.560 8.818 8.021 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.074 10.234 9.310 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.167 9.352 9.251 1.00 0.00 C ATOM 363 OH TYR A 196 -7.855 9.016 10.405 1.00 0.00 O ATOM 0 H TYR A 196 -2.584 10.431 6.736 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.260 8.393 5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.655 11.421 5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.744 10.405 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.182 8.746 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.533 11.243 8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.399 8.140 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.770 10.653 10.258 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.451 9.473 11.172 1.00 0.00 H new ATOM 373 N TYR A 197 -3.766 9.192 2.979 1.00 0.00 N ATOM 374 CA TYR A 197 -3.262 9.475 1.600 1.00 0.00 C ATOM 375 C TYR A 197 -4.410 9.306 0.607 1.00 0.00 C ATOM 376 O TYR A 197 -5.141 8.337 0.654 1.00 0.00 O ATOM 377 CB TYR A 197 -2.129 8.507 1.226 1.00 0.00 C ATOM 378 CG TYR A 197 -0.819 9.011 1.783 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.461 8.752 3.106 1.00 0.00 C ATOM 380 CD2 TYR A 197 0.035 9.747 0.957 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.754 9.240 3.601 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.248 10.230 1.452 1.00 0.00 C ATOM 383 CZ TYR A 197 1.606 9.980 2.774 1.00 0.00 C ATOM 384 OH TYR A 197 2.797 10.464 3.271 1.00 0.00 O ATOM 0 H TYR A 197 -4.523 8.510 3.018 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.877 10.494 1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.343 7.513 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.062 8.413 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.117 8.179 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.244 9.943 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 197 1.035 9.045 4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.907 10.796 0.811 1.00 0.00 H new ATOM 0 HH TYR A 197 3.374 9.714 3.526 1.00 0.00 H new ATOM 394 N ASN A 198 -4.579 10.232 -0.296 1.00 0.00 N ATOM 395 CA ASN A 198 -5.685 10.101 -1.299 1.00 0.00 C ATOM 396 C ASN A 198 -5.165 9.414 -2.570 1.00 0.00 C ATOM 397 O ASN A 198 -3.988 9.146 -2.708 1.00 0.00 O ATOM 398 CB ASN A 198 -6.249 11.482 -1.647 1.00 0.00 C ATOM 399 CG ASN A 198 -5.239 12.280 -2.463 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.045 12.105 -2.321 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.679 13.158 -3.319 1.00 0.00 N ATOM 0 H ASN A 198 -4.005 11.071 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.480 9.493 -0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.175 11.372 -2.211 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.495 12.022 -0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.020 13.703 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.683 13.300 -3.434 1.00 0.00 H new ATOM 408 N LEU A 199 -6.041 9.117 -3.499 1.00 0.00 N ATOM 409 CA LEU A 199 -5.607 8.439 -4.756 1.00 0.00 C ATOM 410 C LEU A 199 -4.564 9.285 -5.495 1.00 0.00 C ATOM 411 O LEU A 199 -3.581 8.767 -5.980 1.00 0.00 O ATOM 412 CB LEU A 199 -6.819 8.252 -5.660 1.00 0.00 C ATOM 413 CG LEU A 199 -7.847 7.355 -4.962 1.00 0.00 C ATOM 414 CD1 LEU A 199 -9.096 7.254 -5.836 1.00 0.00 C ATOM 415 CD2 LEU A 199 -7.263 5.953 -4.725 1.00 0.00 C ATOM 0 H LEU A 199 -7.040 9.316 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.165 7.476 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.264 9.219 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.514 7.805 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.105 7.789 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.832 6.617 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.518 8.248 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.830 6.825 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -8.006 5.329 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.993 5.505 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.375 6.030 -4.097 1.00 0.00 H new ATOM 427 N LYS A 200 -4.777 10.567 -5.601 1.00 0.00 N ATOM 428 CA LYS A 200 -3.806 11.438 -6.337 1.00 0.00 C ATOM 429 C LYS A 200 -2.414 11.382 -5.685 1.00 0.00 C ATOM 430 O LYS A 200 -1.403 11.340 -6.358 1.00 0.00 O ATOM 431 CB LYS A 200 -4.325 12.887 -6.332 1.00 0.00 C ATOM 432 CG LYS A 200 -3.495 13.775 -7.286 1.00 0.00 C ATOM 433 CD LYS A 200 -4.020 13.648 -8.731 1.00 0.00 C ATOM 434 CE LYS A 200 -3.165 14.509 -9.674 1.00 0.00 C ATOM 435 NZ LYS A 200 -3.767 14.521 -11.042 1.00 0.00 N ATOM 0 H LYS A 200 -5.583 11.055 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.716 11.077 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.372 12.903 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.278 13.291 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.547 14.815 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.446 13.481 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -3.990 12.606 -9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.062 13.966 -8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -3.097 15.526 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -2.149 14.116 -9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -3.183 15.105 -11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -3.810 13.550 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -4.728 14.916 -10.995 1.00 0.00 H new ATOM 449 N ASP A 201 -2.339 11.412 -4.388 1.00 0.00 N ATOM 450 CA ASP A 201 -0.997 11.389 -3.739 1.00 0.00 C ATOM 451 C ASP A 201 -0.330 10.020 -3.936 1.00 0.00 C ATOM 452 O ASP A 201 0.864 9.920 -4.137 1.00 0.00 O ATOM 453 CB ASP A 201 -1.158 11.679 -2.247 1.00 0.00 C ATOM 454 CG ASP A 201 -1.601 13.132 -2.059 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.474 13.894 -3.004 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.050 13.460 -0.974 1.00 0.00 O ATOM 0 H ASP A 201 -3.136 11.451 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.364 12.150 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -1.894 11.003 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.216 11.504 -1.727 1.00 0.00 H new ATOM 461 N LEU A 202 -1.090 8.969 -3.871 1.00 0.00 N ATOM 462 CA LEU A 202 -0.512 7.601 -4.039 1.00 0.00 C ATOM 463 C LEU A 202 0.114 7.435 -5.429 1.00 0.00 C ATOM 464 O LEU A 202 1.151 6.819 -5.573 1.00 0.00 O ATOM 465 CB LEU A 202 -1.626 6.568 -3.849 1.00 0.00 C ATOM 466 CG LEU A 202 -2.038 6.501 -2.367 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.364 5.724 -2.238 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.934 5.807 -1.527 1.00 0.00 C ATOM 0 H LEU A 202 -2.097 8.993 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 202 0.272 7.454 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.487 6.833 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.285 5.588 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.172 7.515 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.657 5.676 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -4.141 6.233 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -3.233 4.713 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.242 5.768 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.778 4.794 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 202 -0.005 6.371 -1.611 1.00 0.00 H new ATOM 480 N VAL A 203 -0.495 7.957 -6.456 1.00 0.00 N ATOM 481 CA VAL A 203 0.100 7.785 -7.813 1.00 0.00 C ATOM 482 C VAL A 203 1.436 8.509 -7.893 1.00 0.00 C ATOM 483 O VAL A 203 2.376 8.021 -8.493 1.00 0.00 O ATOM 484 CB VAL A 203 -0.858 8.283 -8.892 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.024 7.306 -8.988 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.401 9.660 -8.532 1.00 0.00 C ATOM 0 H VAL A 203 -1.365 8.488 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 203 0.272 6.723 -7.987 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.326 8.351 -9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.721 7.645 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.649 6.317 -9.250 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.537 7.257 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.082 9.998 -9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -1.936 9.604 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.574 10.365 -8.441 1.00 0.00 H new ATOM 496 N ASP A 204 1.548 9.655 -7.292 1.00 0.00 N ATOM 497 CA ASP A 204 2.844 10.374 -7.349 1.00 0.00 C ATOM 498 C ASP A 204 3.922 9.460 -6.781 1.00 0.00 C ATOM 499 O ASP A 204 5.007 9.361 -7.312 1.00 0.00 O ATOM 500 CB ASP A 204 2.764 11.653 -6.515 1.00 0.00 C ATOM 501 CG ASP A 204 3.995 12.521 -6.795 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.873 12.060 -7.509 1.00 0.00 O ATOM 503 OD2 ASP A 204 4.045 13.633 -6.290 1.00 0.00 O ATOM 0 H ASP A 204 0.807 10.121 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 204 3.079 10.641 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.855 12.203 -6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.713 11.406 -5.455 1.00 0.00 H new ATOM 508 N ILE A 205 3.616 8.778 -5.711 1.00 0.00 N ATOM 509 CA ILE A 205 4.604 7.852 -5.097 1.00 0.00 C ATOM 510 C ILE A 205 4.829 6.657 -6.042 1.00 0.00 C ATOM 511 O ILE A 205 5.886 6.061 -6.067 1.00 0.00 O ATOM 512 CB ILE A 205 4.059 7.375 -3.739 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.747 8.611 -2.890 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.101 6.509 -3.017 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.284 8.193 -1.494 1.00 0.00 C ATOM 0 H ILE A 205 2.716 8.825 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 205 5.557 8.358 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 205 3.161 6.776 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.633 9.241 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.973 9.207 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.700 6.180 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.338 5.639 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.006 7.093 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.066 9.082 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.385 7.582 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.071 7.617 -1.007 1.00 0.00 H new ATOM 527 N THR A 206 3.831 6.301 -6.817 1.00 0.00 N ATOM 528 CA THR A 206 3.963 5.146 -7.759 1.00 0.00 C ATOM 529 C THR A 206 3.138 5.418 -9.021 1.00 0.00 C ATOM 530 O THR A 206 1.934 5.508 -8.977 1.00 0.00 O ATOM 531 CB THR A 206 3.437 3.892 -7.071 1.00 0.00 C ATOM 532 OG1 THR A 206 2.122 4.137 -6.589 1.00 0.00 O ATOM 533 CG2 THR A 206 4.358 3.520 -5.910 1.00 0.00 C ATOM 0 H THR A 206 2.923 6.766 -6.836 1.00 0.00 H new ATOM 0 HA THR A 206 5.008 5.010 -8.036 1.00 0.00 H new ATOM 0 HB THR A 206 3.412 3.066 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.631 4.682 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.980 2.623 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.362 3.331 -6.289 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.389 4.340 -5.193 1.00 0.00 H new ATOM 541 N LYS A 207 3.783 5.552 -10.138 1.00 0.00 N ATOM 542 CA LYS A 207 3.049 5.836 -11.409 1.00 0.00 C ATOM 543 C LYS A 207 2.409 4.559 -11.952 1.00 0.00 C ATOM 544 O LYS A 207 2.170 4.427 -13.136 1.00 0.00 O ATOM 545 CB LYS A 207 4.035 6.401 -12.434 1.00 0.00 C ATOM 546 CG LYS A 207 4.554 7.777 -11.964 1.00 0.00 C ATOM 547 CD LYS A 207 3.605 8.886 -12.429 1.00 0.00 C ATOM 548 CE LYS A 207 4.175 10.253 -12.040 1.00 0.00 C ATOM 549 NZ LYS A 207 5.394 10.544 -12.847 1.00 0.00 N ATOM 0 H LYS A 207 4.796 5.478 -10.233 1.00 0.00 H new ATOM 0 HA LYS A 207 2.258 6.561 -11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.870 5.713 -12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.548 6.499 -13.404 1.00 0.00 H new ATOM 0 HG2 LYS A 207 4.637 7.791 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.553 7.953 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 207 3.470 8.832 -13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 207 2.622 8.750 -11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 207 3.427 11.028 -12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 207 4.420 10.265 -10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 5.608 11.560 -12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 6.198 10.002 -12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 5.228 10.273 -13.837 1.00 0.00 H new ATOM 563 N GLN A 208 2.131 3.618 -11.093 1.00 0.00 N ATOM 564 CA GLN A 208 1.504 2.344 -11.555 1.00 0.00 C ATOM 565 C GLN A 208 -0.017 2.567 -11.710 1.00 0.00 C ATOM 566 O GLN A 208 -0.576 3.436 -11.068 1.00 0.00 O ATOM 567 CB GLN A 208 1.775 1.255 -10.496 1.00 0.00 C ATOM 568 CG GLN A 208 3.286 0.985 -10.410 1.00 0.00 C ATOM 569 CD GLN A 208 3.611 0.220 -9.121 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.333 -0.956 -9.008 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.205 0.845 -8.140 1.00 0.00 N ATOM 0 H GLN A 208 2.310 3.674 -10.090 1.00 0.00 H new ATOM 0 HA GLN A 208 1.920 2.032 -12.513 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.397 1.575 -9.525 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.246 0.339 -10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.610 0.408 -11.276 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.834 1.927 -10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.440 1.833 -8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.434 0.345 -7.281 1.00 0.00 H new ATOM 580 N PRO A 209 -0.694 1.798 -12.541 1.00 0.00 N ATOM 581 CA PRO A 209 -2.171 1.948 -12.732 1.00 0.00 C ATOM 582 C PRO A 209 -2.917 1.996 -11.383 1.00 0.00 C ATOM 583 O PRO A 209 -2.740 1.141 -10.535 1.00 0.00 O ATOM 584 CB PRO A 209 -2.567 0.691 -13.529 1.00 0.00 C ATOM 585 CG PRO A 209 -1.331 0.289 -14.267 1.00 0.00 C ATOM 586 CD PRO A 209 -0.142 0.729 -13.400 1.00 0.00 C ATOM 0 HA PRO A 209 -2.429 2.877 -13.241 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.906 -0.105 -12.866 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.385 0.903 -14.217 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.312 -0.788 -14.434 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.293 0.764 -15.247 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.245 -0.099 -12.806 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.682 1.096 -14.012 1.00 0.00 H new ATOM 594 N VAL A 210 -3.746 2.989 -11.189 1.00 0.00 N ATOM 595 CA VAL A 210 -4.504 3.101 -9.908 1.00 0.00 C ATOM 596 C VAL A 210 -5.340 1.849 -9.700 1.00 0.00 C ATOM 597 O VAL A 210 -5.399 1.295 -8.623 1.00 0.00 O ATOM 598 CB VAL A 210 -5.414 4.321 -9.951 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.572 5.585 -10.125 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.408 4.184 -11.103 1.00 0.00 C ATOM 0 H VAL A 210 -3.931 3.730 -11.866 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.800 3.208 -9.083 1.00 0.00 H new ATOM 0 HB VAL A 210 -5.969 4.392 -9.015 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.226 6.456 -10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -3.880 5.679 -9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.009 5.522 -11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.057 5.059 -11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.865 4.106 -12.045 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.012 3.289 -10.958 1.00 0.00 H new ATOM 610 N VAL A 211 -5.988 1.399 -10.731 1.00 0.00 N ATOM 611 CA VAL A 211 -6.819 0.179 -10.607 1.00 0.00 C ATOM 612 C VAL A 211 -5.964 -0.928 -9.993 1.00 0.00 C ATOM 613 O VAL A 211 -6.439 -1.746 -9.246 1.00 0.00 O ATOM 614 CB VAL A 211 -7.300 -0.233 -11.995 1.00 0.00 C ATOM 615 CG1 VAL A 211 -6.088 -0.444 -12.902 1.00 0.00 C ATOM 616 CG2 VAL A 211 -8.101 -1.533 -11.911 1.00 0.00 C ATOM 0 H VAL A 211 -5.978 1.826 -11.657 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.685 0.363 -9.971 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.939 0.552 -12.401 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -6.424 -0.739 -13.896 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -5.520 0.484 -12.971 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -5.454 -1.227 -12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -8.439 -1.817 -12.908 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -7.471 -2.323 -11.503 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -8.965 -1.387 -11.263 1.00 0.00 H new ATOM 626 N TYR A 212 -4.691 -0.943 -10.284 1.00 0.00 N ATOM 627 CA TYR A 212 -3.822 -1.993 -9.678 1.00 0.00 C ATOM 628 C TYR A 212 -3.612 -1.657 -8.199 1.00 0.00 C ATOM 629 O TYR A 212 -3.741 -2.501 -7.334 1.00 0.00 O ATOM 630 CB TYR A 212 -2.466 -2.026 -10.391 1.00 0.00 C ATOM 631 CG TYR A 212 -1.598 -3.123 -9.806 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.879 -4.473 -10.090 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.510 -2.794 -8.984 1.00 0.00 C ATOM 634 CE1 TYR A 212 -1.069 -5.484 -9.558 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.295 -3.809 -8.451 1.00 0.00 C ATOM 636 CZ TYR A 212 0.017 -5.154 -8.738 1.00 0.00 C ATOM 637 OH TYR A 212 0.814 -6.153 -8.226 1.00 0.00 O ATOM 0 H TYR A 212 -4.221 -0.285 -10.905 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.297 -2.969 -9.780 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.611 -2.196 -11.458 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.968 -1.062 -10.287 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.719 -4.729 -10.718 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.293 -1.759 -8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.282 -6.519 -9.780 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.132 -3.556 -7.817 1.00 0.00 H new ATOM 0 HH TYR A 212 1.246 -6.636 -8.961 1.00 0.00 H new ATOM 647 N LEU A 213 -3.299 -0.420 -7.903 1.00 0.00 N ATOM 648 CA LEU A 213 -3.089 -0.024 -6.476 1.00 0.00 C ATOM 649 C LEU A 213 -4.412 -0.137 -5.714 1.00 0.00 C ATOM 650 O LEU A 213 -4.457 -0.584 -4.583 1.00 0.00 O ATOM 651 CB LEU A 213 -2.596 1.422 -6.406 1.00 0.00 C ATOM 652 CG LEU A 213 -1.236 1.556 -7.100 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.826 3.028 -7.089 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.172 0.713 -6.365 1.00 0.00 C ATOM 0 H LEU A 213 -3.180 0.330 -8.584 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.346 -0.685 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.321 2.084 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.513 1.735 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.313 1.195 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.141 3.140 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.573 3.618 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.753 3.378 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.788 0.819 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.081 1.059 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.471 -0.335 -6.370 1.00 0.00 H new ATOM 666 N LYS A 214 -5.492 0.273 -6.329 1.00 0.00 N ATOM 667 CA LYS A 214 -6.815 0.192 -5.653 1.00 0.00 C ATOM 668 C LYS A 214 -7.103 -1.248 -5.251 1.00 0.00 C ATOM 669 O LYS A 214 -7.628 -1.511 -4.188 1.00 0.00 O ATOM 670 CB LYS A 214 -7.907 0.665 -6.612 1.00 0.00 C ATOM 671 CG LYS A 214 -7.823 2.179 -6.783 1.00 0.00 C ATOM 672 CD LYS A 214 -8.999 2.658 -7.641 1.00 0.00 C ATOM 673 CE LYS A 214 -8.977 4.186 -7.744 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.342 4.679 -8.078 1.00 0.00 N ATOM 0 H LYS A 214 -5.511 0.661 -7.272 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.799 0.824 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.793 0.174 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.888 0.387 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.845 2.668 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -6.879 2.451 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -8.939 2.216 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.940 2.327 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.642 4.620 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -8.268 4.500 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.329 5.717 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -10.645 4.274 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -11.007 4.391 -7.332 1.00 0.00 H new ATOM 688 N GLU A 215 -6.772 -2.186 -6.090 1.00 0.00 N ATOM 689 CA GLU A 215 -7.043 -3.608 -5.746 1.00 0.00 C ATOM 690 C GLU A 215 -6.248 -3.985 -4.501 1.00 0.00 C ATOM 691 O GLU A 215 -6.737 -4.665 -3.621 1.00 0.00 O ATOM 692 CB GLU A 215 -6.621 -4.497 -6.913 1.00 0.00 C ATOM 693 CG GLU A 215 -7.599 -4.318 -8.076 1.00 0.00 C ATOM 694 CD GLU A 215 -8.923 -5.026 -7.773 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.962 -5.789 -6.824 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.875 -4.789 -8.501 1.00 0.00 O ATOM 0 H GLU A 215 -6.328 -2.032 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.107 -3.745 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.611 -4.240 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.601 -5.541 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.778 -3.257 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.164 -4.721 -8.991 1.00 0.00 H new ATOM 703 N ILE A 216 -5.026 -3.541 -4.422 1.00 0.00 N ATOM 704 CA ILE A 216 -4.196 -3.857 -3.233 1.00 0.00 C ATOM 705 C ILE A 216 -4.750 -3.097 -2.043 1.00 0.00 C ATOM 706 O ILE A 216 -4.835 -3.613 -0.944 1.00 0.00 O ATOM 707 CB ILE A 216 -2.764 -3.409 -3.492 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.173 -4.239 -4.628 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.921 -3.598 -2.231 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.849 -3.620 -5.069 1.00 0.00 C ATOM 0 H ILE A 216 -4.567 -2.971 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.213 -4.929 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.762 -2.354 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -2.016 -5.266 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.868 -4.275 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.898 -3.275 -2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.341 -3.003 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.921 -4.650 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.424 -4.210 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -1.021 -2.600 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.156 -3.607 -4.228 1.00 0.00 H new ATOM 722 N LEU A 217 -5.130 -1.876 -2.250 1.00 0.00 N ATOM 723 CA LEU A 217 -5.694 -1.090 -1.128 1.00 0.00 C ATOM 724 C LEU A 217 -7.062 -1.671 -0.776 1.00 0.00 C ATOM 725 O LEU A 217 -7.505 -1.617 0.347 1.00 0.00 O ATOM 726 CB LEU A 217 -5.830 0.370 -1.546 1.00 0.00 C ATOM 727 CG LEU A 217 -4.440 0.982 -1.747 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.579 2.351 -2.411 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.719 1.152 -0.392 1.00 0.00 C ATOM 0 H LEU A 217 -5.075 -1.388 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.038 -1.141 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.406 0.442 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.376 0.927 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.855 0.314 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.591 2.788 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.070 2.238 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.176 3.005 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.734 1.588 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.304 1.809 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.610 0.179 0.087 1.00 0.00 H new ATOM 741 N LYS A 218 -7.741 -2.228 -1.740 1.00 0.00 N ATOM 742 CA LYS A 218 -9.085 -2.818 -1.463 1.00 0.00 C ATOM 743 C LYS A 218 -8.969 -3.986 -0.476 1.00 0.00 C ATOM 744 O LYS A 218 -9.861 -4.221 0.317 1.00 0.00 O ATOM 745 CB LYS A 218 -9.696 -3.324 -2.761 1.00 0.00 C ATOM 746 CG LYS A 218 -11.121 -3.837 -2.496 1.00 0.00 C ATOM 747 CD LYS A 218 -11.815 -4.109 -3.833 1.00 0.00 C ATOM 748 CE LYS A 218 -13.239 -4.626 -3.589 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.195 -6.033 -3.084 1.00 0.00 N ATOM 0 H LYS A 218 -7.426 -2.301 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.719 -2.046 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.719 -2.523 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.082 -4.124 -3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.087 -4.748 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.685 -3.101 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.848 -3.196 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.246 -4.842 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.747 -3.988 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.814 -4.581 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.158 -6.426 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -12.597 -6.608 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -12.799 -6.044 -2.122 1.00 0.00 H new ATOM 763 N GLU A 219 -7.904 -4.742 -0.529 1.00 0.00 N ATOM 764 CA GLU A 219 -7.783 -5.903 0.404 1.00 0.00 C ATOM 765 C GLU A 219 -7.384 -5.447 1.815 1.00 0.00 C ATOM 766 O GLU A 219 -8.000 -5.830 2.788 1.00 0.00 O ATOM 767 CB GLU A 219 -6.723 -6.876 -0.114 1.00 0.00 C ATOM 768 CG GLU A 219 -7.252 -7.607 -1.345 1.00 0.00 C ATOM 769 CD GLU A 219 -6.128 -8.428 -1.962 1.00 0.00 C ATOM 770 OE1 GLU A 219 -4.982 -8.048 -1.793 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.431 -9.425 -2.593 1.00 0.00 O ATOM 0 H GLU A 219 -7.121 -4.609 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.756 -6.391 0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.811 -6.335 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.464 -7.594 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.083 -8.256 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.636 -6.890 -2.071 1.00 0.00 H new ATOM 778 N ILE A 220 -6.345 -4.655 1.937 1.00 0.00 N ATOM 779 CA ILE A 220 -5.889 -4.196 3.294 1.00 0.00 C ATOM 780 C ILE A 220 -6.171 -2.705 3.498 1.00 0.00 C ATOM 781 O ILE A 220 -6.101 -2.204 4.599 1.00 0.00 O ATOM 782 CB ILE A 220 -4.373 -4.432 3.423 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.612 -3.678 2.310 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.071 -5.930 3.325 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.114 -3.609 2.655 1.00 0.00 C ATOM 0 H ILE A 220 -5.791 -4.305 1.156 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.436 -4.763 4.048 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.044 -4.056 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.751 -4.184 1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.015 -2.671 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -2.997 -6.091 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.587 -6.458 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.414 -6.308 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.583 -3.076 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.982 -3.083 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.714 -4.619 2.743 1.00 0.00 H new ATOM 797 N GLY A 221 -6.449 -1.983 2.449 1.00 0.00 N ATOM 798 CA GLY A 221 -6.673 -0.513 2.603 1.00 0.00 C ATOM 799 C GLY A 221 -8.093 -0.211 3.067 1.00 0.00 C ATOM 800 O GLY A 221 -8.902 -1.091 3.295 1.00 0.00 O ATOM 0 H GLY A 221 -6.531 -2.341 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -5.960 -0.108 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.486 -0.014 1.652 1.00 0.00 H new ATOM 804 N VAL A 222 -8.385 1.053 3.211 1.00 0.00 N ATOM 805 CA VAL A 222 -9.737 1.502 3.666 1.00 0.00 C ATOM 806 C VAL A 222 -10.067 2.782 2.903 1.00 0.00 C ATOM 807 O VAL A 222 -9.225 3.315 2.228 1.00 0.00 O ATOM 808 CB VAL A 222 -9.687 1.792 5.175 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.054 2.282 5.675 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.308 0.509 5.913 1.00 0.00 C ATOM 0 H VAL A 222 -7.729 1.812 3.029 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.493 0.739 3.480 1.00 0.00 H new ATOM 0 HB VAL A 222 -8.947 2.570 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.000 2.482 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.328 3.196 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.806 1.516 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.270 0.704 6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.053 -0.261 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.331 0.168 5.571 1.00 0.00 H new ATOM 820 N GLN A 223 -11.277 3.280 2.987 1.00 0.00 N ATOM 821 CA GLN A 223 -11.629 4.534 2.236 1.00 0.00 C ATOM 822 C GLN A 223 -12.477 5.433 3.131 1.00 0.00 C ATOM 823 O GLN A 223 -13.139 4.980 4.042 1.00 0.00 O ATOM 824 CB GLN A 223 -12.420 4.168 0.968 1.00 0.00 C ATOM 825 CG GLN A 223 -12.857 5.433 0.218 1.00 0.00 C ATOM 826 CD GLN A 223 -11.637 6.276 -0.169 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.865 5.883 -1.021 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.445 7.434 0.413 1.00 0.00 N ATOM 0 H GLN A 223 -12.035 2.878 3.539 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.718 5.060 1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.805 3.547 0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.296 3.578 1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.415 5.158 -0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.529 6.020 0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.096 7.760 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.645 8.010 0.151 1.00 0.00 H new ATOM 837 N ASN A 224 -12.446 6.708 2.884 1.00 0.00 N ATOM 838 CA ASN A 224 -13.236 7.643 3.717 1.00 0.00 C ATOM 839 C ASN A 224 -13.584 8.873 2.863 1.00 0.00 C ATOM 840 O ASN A 224 -12.717 9.648 2.496 1.00 0.00 O ATOM 841 CB ASN A 224 -12.389 8.090 4.920 1.00 0.00 C ATOM 842 CG ASN A 224 -11.552 6.924 5.434 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.009 6.129 6.233 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.326 6.792 5.002 1.00 0.00 N ATOM 0 H ASN A 224 -11.904 7.143 2.137 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.144 7.157 4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.738 8.915 4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.038 8.460 5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.748 6.020 5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -9.947 7.461 4.332 1.00 0.00 H new ATOM 851 N VAL A 225 -14.846 9.066 2.558 1.00 0.00 N ATOM 852 CA VAL A 225 -15.263 10.258 1.750 1.00 0.00 C ATOM 853 C VAL A 225 -15.809 11.306 2.724 1.00 0.00 C ATOM 854 O VAL A 225 -16.641 11.013 3.564 1.00 0.00 O ATOM 855 CB VAL A 225 -16.346 9.861 0.734 1.00 0.00 C ATOM 856 CG1 VAL A 225 -15.758 8.888 -0.295 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.520 9.190 1.462 1.00 0.00 C ATOM 0 H VAL A 225 -15.608 8.447 2.835 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.415 10.658 1.193 1.00 0.00 H new ATOM 0 HB VAL A 225 -16.702 10.756 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -16.529 8.609 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -14.931 9.368 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.396 7.995 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.285 8.910 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.166 8.298 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.943 9.885 2.187 1.00 0.00 H new ATOM 867 N LYS A 226 -15.314 12.511 2.650 1.00 0.00 N ATOM 868 CA LYS A 226 -15.764 13.581 3.605 1.00 0.00 C ATOM 869 C LYS A 226 -16.829 14.471 2.954 1.00 0.00 C ATOM 870 O LYS A 226 -17.330 14.182 1.891 1.00 0.00 O ATOM 871 CB LYS A 226 -14.553 14.434 4.007 1.00 0.00 C ATOM 872 CG LYS A 226 -13.322 13.543 4.214 1.00 0.00 C ATOM 873 CD LYS A 226 -13.578 12.476 5.281 1.00 0.00 C ATOM 874 CE LYS A 226 -14.001 13.128 6.604 1.00 0.00 C ATOM 875 NZ LYS A 226 -13.210 14.382 6.822 1.00 0.00 N ATOM 0 H LYS A 226 -14.615 12.808 1.969 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.199 13.112 4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -14.349 15.175 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.773 14.981 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -13.057 13.062 3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -12.471 14.158 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -14.356 11.793 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -12.677 11.882 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -15.066 13.357 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -13.839 12.436 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -13.206 14.619 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -12.233 14.237 6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -13.641 15.162 6.286 1.00 0.00 H new ATOM 889 N GLY A 227 -17.185 15.559 3.593 1.00 0.00 N ATOM 890 CA GLY A 227 -18.227 16.464 3.009 1.00 0.00 C ATOM 891 C GLY A 227 -17.940 16.690 1.526 1.00 0.00 C ATOM 892 O GLY A 227 -18.686 16.264 0.666 1.00 0.00 O ATOM 0 H GLY A 227 -16.802 15.859 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -19.216 16.024 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -18.232 17.417 3.538 1.00 0.00 H new ATOM 896 N ILE A 228 -16.853 17.343 1.224 1.00 0.00 N ATOM 897 CA ILE A 228 -16.499 17.589 -0.200 1.00 0.00 C ATOM 898 C ILE A 228 -16.049 16.271 -0.827 1.00 0.00 C ATOM 899 O ILE A 228 -15.719 16.210 -1.989 1.00 0.00 O ATOM 900 CB ILE A 228 -15.397 18.659 -0.304 1.00 0.00 C ATOM 901 CG1 ILE A 228 -14.074 18.169 0.295 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.848 19.911 0.460 1.00 0.00 C ATOM 903 CD1 ILE A 228 -13.011 19.241 0.054 1.00 0.00 C ATOM 0 H ILE A 228 -16.193 17.718 1.905 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.369 17.964 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.235 18.878 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -14.187 17.980 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.775 17.227 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -15.075 20.676 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.772 20.290 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -16.018 19.657 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -12.060 18.911 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.897 19.406 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -13.316 20.171 0.534 1.00 0.00 H new ATOM 915 N HIS A 229 -16.059 15.220 -0.040 1.00 0.00 N ATOM 916 CA HIS A 229 -15.670 13.861 -0.528 1.00 0.00 C ATOM 917 C HIS A 229 -14.156 13.755 -0.697 1.00 0.00 C ATOM 918 O HIS A 229 -13.666 13.331 -1.724 1.00 0.00 O ATOM 919 CB HIS A 229 -16.371 13.550 -1.860 1.00 0.00 C ATOM 920 CG HIS A 229 -17.809 13.988 -1.774 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.697 13.428 -0.870 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.526 14.929 -2.471 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.884 14.032 -1.043 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.837 14.957 -2.008 1.00 0.00 N ATOM 0 H HIS A 229 -16.327 15.251 0.944 1.00 0.00 H new ATOM 0 HA HIS A 229 -15.985 13.131 0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.869 14.066 -2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.315 12.483 -2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.132 15.553 -3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.770 13.799 -0.471 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.598 15.553 -2.334 1.00 0.00 H new ATOM 932 N LYS A 230 -13.402 14.106 0.310 1.00 0.00 N ATOM 933 CA LYS A 230 -11.929 13.980 0.172 1.00 0.00 C ATOM 934 C LYS A 230 -11.612 12.493 0.157 1.00 0.00 C ATOM 935 O LYS A 230 -11.988 11.761 1.049 1.00 0.00 O ATOM 936 CB LYS A 230 -11.205 14.642 1.350 1.00 0.00 C ATOM 937 CG LYS A 230 -11.775 16.044 1.592 1.00 0.00 C ATOM 938 CD LYS A 230 -11.204 16.626 2.894 1.00 0.00 C ATOM 939 CE LYS A 230 -12.127 17.735 3.427 1.00 0.00 C ATOM 940 NZ LYS A 230 -11.605 18.246 4.730 1.00 0.00 N ATOM 0 H LYS A 230 -13.736 14.467 1.203 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.595 14.474 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.320 14.034 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.137 14.705 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.528 16.696 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.862 15.998 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.102 15.838 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.206 17.027 2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.187 18.549 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -13.138 17.348 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -12.233 18.995 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -11.570 17.468 5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.649 18.631 4.594 1.00 0.00 H new ATOM 954 N ASN A 231 -10.946 12.029 -0.847 1.00 0.00 N ATOM 955 CA ASN A 231 -10.633 10.578 -0.902 1.00 0.00 C ATOM 956 C ASN A 231 -9.428 10.285 -0.005 1.00 0.00 C ATOM 957 O ASN A 231 -8.354 10.762 -0.266 1.00 0.00 O ATOM 958 CB ASN A 231 -10.275 10.206 -2.341 1.00 0.00 C ATOM 959 CG ASN A 231 -11.319 10.784 -3.288 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.499 10.513 -3.156 1.00 0.00 O ATOM 961 ND2 ASN A 231 -10.934 11.593 -4.243 1.00 0.00 N ATOM 0 H ASN A 231 -10.603 12.583 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.494 10.002 -0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.287 10.591 -2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.231 9.122 -2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.623 11.997 -4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -9.945 11.819 -4.352 1.00 0.00 H new ATOM 968 N THR A 232 -9.579 9.491 1.034 1.00 0.00 N ATOM 969 CA THR A 232 -8.397 9.167 1.906 1.00 0.00 C ATOM 970 C THR A 232 -8.343 7.662 2.152 1.00 0.00 C ATOM 971 O THR A 232 -9.340 7.036 2.452 1.00 0.00 O ATOM 972 CB THR A 232 -8.514 9.894 3.240 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.740 9.569 3.858 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.436 11.393 3.009 1.00 0.00 C ATOM 0 H THR A 232 -10.459 9.057 1.314 1.00 0.00 H new ATOM 0 HA THR A 232 -7.486 9.491 1.403 1.00 0.00 H new ATOM 0 HB THR A 232 -7.696 9.585 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.809 10.038 4.716 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.520 11.913 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.482 11.640 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.250 11.703 2.354 1.00 0.00 H new ATOM 982 N TRP A 233 -7.172 7.073 2.022 1.00 0.00 N ATOM 983 CA TRP A 233 -7.015 5.598 2.240 1.00 0.00 C ATOM 984 C TRP A 233 -6.140 5.330 3.462 1.00 0.00 C ATOM 985 O TRP A 233 -5.295 6.130 3.805 1.00 0.00 O ATOM 986 CB TRP A 233 -6.373 4.958 0.997 1.00 0.00 C ATOM 987 CG TRP A 233 -7.370 4.896 -0.122 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.672 5.910 -0.966 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.188 3.761 -0.534 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.631 5.468 -1.864 1.00 0.00 N ATOM 991 CE2 TRP A 233 -8.989 4.151 -1.631 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.320 2.447 -0.053 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -9.884 3.261 -2.236 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.214 1.550 -0.657 1.00 0.00 C ATOM 995 CH2 TRP A 233 -9.999 1.957 -1.743 1.00 0.00 C ATOM 0 H TRP A 233 -6.311 7.559 1.771 1.00 0.00 H new ATOM 0 HA TRP A 233 -7.999 5.162 2.410 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.503 5.537 0.688 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.020 3.955 1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.238 6.899 -0.944 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.026 6.044 -2.607 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.727 2.124 0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.482 3.579 -3.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.297 0.540 -0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.692 1.265 -2.199 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.345 4.199 4.117 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.526 3.839 5.323 1.00 0.00 C ATOM 1008 C GLU A 234 -5.221 2.331 5.304 1.00 0.00 C ATOM 1009 O GLU A 234 -6.096 1.521 5.077 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.310 4.156 6.600 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.475 5.660 6.753 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.063 5.956 8.129 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.180 5.526 8.378 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.390 6.596 8.915 1.00 0.00 O ATOM 0 H GLU A 234 -7.051 3.509 3.861 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.600 4.414 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.288 3.677 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.788 3.750 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.512 6.158 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.129 6.049 5.972 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.002 1.935 5.562 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.706 0.471 5.566 1.00 0.00 C ATOM 1023 C LEU A 235 -4.401 -0.159 6.770 1.00 0.00 C ATOM 1024 O LEU A 235 -4.060 0.131 7.895 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.196 0.257 5.696 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.475 0.846 4.483 1.00 0.00 C ATOM 1027 CD1 LEU A 235 0.042 0.719 4.687 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.885 0.100 3.199 1.00 0.00 C ATOM 0 H LEU A 235 -3.212 2.547 5.766 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.060 0.017 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.832 0.728 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -1.977 -0.808 5.777 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.751 1.896 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.561 1.137 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.335 1.262 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.308 -0.333 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.363 0.532 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.622 -0.954 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.961 0.194 3.052 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.370 -1.018 6.552 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.076 -1.651 7.698 1.00 0.00 C ATOM 1042 C LYS A 236 -5.052 -2.462 8.535 1.00 0.00 C ATOM 1043 O LYS A 236 -4.516 -3.445 8.058 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.154 -2.593 7.137 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.044 -3.063 8.285 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.210 -3.922 7.763 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.343 -3.042 7.218 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.557 -3.887 6.984 1.00 0.00 N ATOM 0 H LYS A 236 -5.698 -1.304 5.629 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.538 -0.895 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.750 -2.078 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.689 -3.448 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.452 -3.640 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.436 -2.200 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -8.852 -4.588 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.590 -4.553 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.572 -2.244 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.033 -2.565 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.327 -3.294 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -11.333 -4.633 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.855 -4.322 7.880 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.767 -2.070 9.770 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.776 -2.791 10.634 1.00 0.00 C ATOM 1064 C PRO A 237 -4.399 -3.962 11.406 1.00 0.00 C ATOM 1065 O PRO A 237 -3.751 -4.614 12.202 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.333 -1.697 11.600 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.564 -0.875 11.817 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.341 -0.910 10.489 1.00 0.00 C ATOM 0 HA PRO A 237 -2.971 -3.242 10.053 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -2.965 -2.118 12.536 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.524 -1.099 11.180 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.165 -1.281 12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.306 0.148 12.091 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.411 -1.033 10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.210 0.014 9.925 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.660 -4.191 11.201 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.369 -5.276 11.943 1.00 0.00 C ATOM 1078 C GLU A 238 -5.636 -6.623 11.831 1.00 0.00 C ATOM 1079 O GLU A 238 -5.489 -7.323 12.815 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.768 -5.431 11.343 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.608 -4.192 11.666 1.00 0.00 C ATOM 1082 CD GLU A 238 -10.068 -4.468 11.324 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.342 -5.545 10.826 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -10.889 -3.601 11.576 1.00 0.00 O ATOM 0 H GLU A 238 -6.241 -3.670 10.545 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.410 -5.001 12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.699 -5.564 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.249 -6.323 11.744 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.512 -3.939 12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -8.246 -3.335 11.098 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.200 -7.006 10.647 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.508 -8.333 10.484 1.00 0.00 C ATOM 1093 C TYR A 239 -3.194 -8.196 9.715 1.00 0.00 C ATOM 1094 O TYR A 239 -2.706 -9.157 9.154 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.430 -9.293 9.726 1.00 0.00 C ATOM 1096 CG TYR A 239 -5.687 -8.772 8.334 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.652 -7.781 8.137 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -4.964 -9.268 7.244 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -6.908 -7.288 6.856 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.217 -8.772 5.955 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.187 -7.776 5.763 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.436 -7.286 4.495 1.00 0.00 O ATOM 0 H TYR A 239 -5.293 -6.460 9.791 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.282 -8.718 11.478 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -4.975 -10.282 9.674 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.373 -9.403 10.262 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.203 -7.394 8.981 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.214 -10.030 7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.663 -6.530 6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -4.665 -9.157 5.111 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.277 -6.782 4.498 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.592 -7.039 9.689 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.297 -6.919 8.957 1.00 0.00 C ATOM 1114 C ARG A 240 -0.180 -7.553 9.792 1.00 0.00 C ATOM 1115 O ARG A 240 0.426 -6.911 10.627 1.00 0.00 O ATOM 1116 CB ARG A 240 -0.972 -5.439 8.687 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.694 -4.948 7.408 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.888 -5.348 6.152 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.309 -6.709 5.707 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.948 -7.150 4.532 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.189 -6.416 3.765 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -1.331 -8.332 4.130 1.00 0.00 N ATOM 0 H ARG A 240 -2.931 -6.186 10.133 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.378 -7.438 8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.278 -4.832 9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.105 -5.312 8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.694 -5.378 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.814 -3.865 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.054 -4.625 5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 240 0.179 -5.339 6.373 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.878 -7.294 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.122 -5.498 4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.093 -6.760 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -1.913 -8.912 4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -1.048 -8.675 3.212 1.00 0.00 H new ATOM 1136 N HIS A 241 0.108 -8.803 9.560 1.00 0.00 N ATOM 1137 CA HIS A 241 1.195 -9.470 10.320 1.00 0.00 C ATOM 1138 C HIS A 241 2.521 -8.861 9.846 1.00 0.00 C ATOM 1139 O HIS A 241 3.477 -8.743 10.585 1.00 0.00 O ATOM 1140 CB HIS A 241 1.167 -10.968 10.001 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.200 -11.539 10.306 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.526 -12.063 11.548 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.333 -11.682 9.533 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -1.801 -12.487 11.484 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.336 -12.282 10.281 1.00 0.00 N ATOM 0 H HIS A 241 -0.365 -9.391 8.874 1.00 0.00 H new ATOM 0 HA HIS A 241 1.076 -9.332 11.395 1.00 0.00 H new ATOM 0 HB2 HIS A 241 1.411 -11.129 8.951 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.925 -11.487 10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.426 -11.374 8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.329 -12.940 12.310 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.281 -12.516 9.975 1.00 0.00 H new ATOM 1153 N TYR A 242 2.548 -8.465 8.603 1.00 0.00 N ATOM 1154 CA TYR A 242 3.767 -7.841 8.008 1.00 0.00 C ATOM 1155 C TYR A 242 3.857 -6.374 8.455 1.00 0.00 C ATOM 1156 O TYR A 242 2.870 -5.667 8.496 1.00 0.00 O ATOM 1157 CB TYR A 242 3.646 -7.925 6.478 1.00 0.00 C ATOM 1158 CG TYR A 242 4.734 -7.114 5.802 1.00 0.00 C ATOM 1159 CD1 TYR A 242 6.015 -7.642 5.643 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.450 -5.827 5.333 1.00 0.00 C ATOM 1161 CE1 TYR A 242 7.018 -6.884 5.019 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.448 -5.069 4.711 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.736 -5.596 4.552 1.00 0.00 C ATOM 1164 OH TYR A 242 7.731 -4.850 3.940 1.00 0.00 O ATOM 0 H TYR A 242 1.760 -8.549 7.960 1.00 0.00 H new ATOM 0 HA TYR A 242 4.667 -8.360 8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.713 -8.966 6.161 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.668 -7.559 6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.236 -8.637 6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.458 -5.417 5.451 1.00 0.00 H new ATOM 0 HE1 TYR A 242 8.009 -7.296 4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.225 -4.075 4.353 1.00 0.00 H new ATOM 0 HH TYR A 242 7.383 -4.457 3.113 1.00 0.00 H new ATOM 1174 N GLN A 243 5.042 -5.915 8.792 1.00 0.00 N ATOM 1175 CA GLN A 243 5.220 -4.492 9.238 1.00 0.00 C ATOM 1176 C GLN A 243 6.458 -3.898 8.563 1.00 0.00 C ATOM 1177 O GLN A 243 6.820 -4.285 7.472 1.00 0.00 O ATOM 1178 CB GLN A 243 5.414 -4.457 10.754 1.00 0.00 C ATOM 1179 CG GLN A 243 4.125 -4.914 11.437 1.00 0.00 C ATOM 1180 CD GLN A 243 3.013 -3.882 11.213 1.00 0.00 C ATOM 1181 OE1 GLN A 243 3.272 -2.733 10.903 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.765 -4.246 11.354 1.00 0.00 N ATOM 0 H GLN A 243 5.899 -6.468 8.777 1.00 0.00 H new ATOM 0 HA GLN A 243 4.338 -3.913 8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 243 6.242 -5.105 11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 243 5.672 -3.448 11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.818 -5.882 11.041 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.298 -5.047 12.505 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.540 -5.206 11.613 1.00 0.00 H new ATOM 0 HE22 GLN A 243 1.016 -3.569 11.205 1.00 0.00 H new TER 1191 GLN A 243