USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 299 LYS NZ :NH3+ -173:sc= 2.1 (180deg=1.04) USER MOD Set 1.2: A 351 ASN : amide:sc= -0.517 K(o=1.6,f=-2.9) USER MOD Set 2.1: A 310 SER OG : rot 180:sc= -0.0024 USER MOD Set 2.2: A 347 LYS NZ :NH3+ -156:sc= 0.229 (180deg=-0.536) USER MOD Set 3.1: A 290 CYS SG : rot 59:sc= 0.973 USER MOD Set 3.2: A 362 ASN : amide:sc= 1.36 X(o=2.7,f=2.8) USER MOD Set 3.3: A 363 SER OG : rot 77:sc= 0.408 USER MOD Single : A 289 HIS : no HE2:sc= -3.86 K(o=-3.9,f=-11!) USER MOD Single : A 292 HIS : no HE2:sc= 0.654 K(o=0.65,f=-4.7!) USER MOD Single : A 293 MET CE :methyl 154:sc= -2.17 (180deg=-4.35!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 301 THR OG1 : rot 180:sc= 0.423 USER MOD Single : A 303 ASN : amide:sc= 1.15 K(o=1.1,f=-0.021) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.461 X(o=0.46,f=0) USER MOD Single : A 313 ASN : amide:sc= 0.345 X(o=0.35,f=0) USER MOD Single : A 318 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.063) USER MOD Single : A 328 THR OG1 : rot -46:sc= 0.354 USER MOD Single : A 337 THR OG1 : rot -60:sc= 0.98 USER MOD Single : A 338 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 345 MET CE :methyl 144:sc= -2.36! (180deg=-6.03!) USER MOD Single : A 346 SER OG : rot -43:sc= 0.157 USER MOD Single : A 352 MET CE :methyl 173:sc= 0 (180deg=-0.0415) USER MOD Single : A 353 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.17) USER MOD Single : A 354 HIS : no HD1:sc= -0.0939 X(o=-0.094,f=-0.073) USER MOD Single : A 356 TYR OH : rot 41:sc= 0.156 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N HIS A 289 -0.105 12.289 5.640 1.00 0.00 N ATOM 23 CA HIS A 289 0.780 11.627 4.674 1.00 0.00 C ATOM 24 C HIS A 289 -0.044 10.813 3.656 1.00 0.00 C ATOM 25 O HIS A 289 -1.173 10.429 3.971 1.00 0.00 O ATOM 26 CB HIS A 289 1.738 10.675 5.399 1.00 0.00 C ATOM 27 CG HIS A 289 3.028 10.604 4.640 1.00 0.00 C ATOM 28 ND1 HIS A 289 3.944 11.618 4.516 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.438 9.589 3.831 1.00 0.00 C ATOM 30 CE1 HIS A 289 4.913 11.208 3.685 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.637 9.980 3.233 1.00 0.00 N ATOM 0 HA HIS A 289 1.347 12.399 4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 289 1.919 11.026 6.415 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.293 9.683 5.478 1.00 0.00 H new ATOM 0 HD1 HIS A 289 3.896 12.527 4.977 1.00 0.00 H new ATOM 0 HD2 HIS A 289 2.927 8.650 3.679 1.00 0.00 H new ATOM 0 HE1 HIS A 289 5.787 11.784 3.420 1.00 0.00 H new ATOM 39 N CYS A 290 0.542 10.410 2.523 1.00 0.00 N ATOM 40 CA CYS A 290 0.081 9.236 1.771 1.00 0.00 C ATOM 41 C CYS A 290 1.184 8.499 0.995 1.00 0.00 C ATOM 42 O CYS A 290 2.251 9.059 0.728 1.00 0.00 O ATOM 43 CB CYS A 290 -1.101 9.584 0.847 1.00 0.00 C ATOM 44 SG CYS A 290 -0.902 11.094 -0.138 1.00 0.00 S ATOM 0 H CYS A 290 1.342 10.883 2.104 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.259 8.534 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.268 8.747 0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.999 9.684 1.457 1.00 0.00 H new ATOM 0 HG CYS A 290 0.156 10.988 -0.885 1.00 0.00 H new ATOM 50 N VAL A 291 0.930 7.227 0.652 1.00 0.00 N ATOM 51 CA VAL A 291 1.911 6.345 0.002 1.00 0.00 C ATOM 52 C VAL A 291 1.246 5.519 -1.074 1.00 0.00 C ATOM 53 O VAL A 291 0.215 4.892 -0.837 1.00 0.00 O ATOM 54 CB VAL A 291 2.572 5.375 0.989 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.826 4.722 0.400 1.00 0.00 C ATOM 56 CG2 VAL A 291 3.038 6.109 2.228 1.00 0.00 C ATOM 0 H VAL A 291 0.030 6.778 0.820 1.00 0.00 H new ATOM 0 HA VAL A 291 2.674 6.999 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 291 1.816 4.624 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.261 4.043 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.558 4.164 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.552 5.494 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.504 5.403 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.762 6.874 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.184 6.580 2.715 1.00 0.00 H new ATOM 66 N HIS A 292 1.866 5.511 -2.245 1.00 0.00 N ATOM 67 CA HIS A 292 1.300 4.980 -3.468 1.00 0.00 C ATOM 68 C HIS A 292 1.794 3.551 -3.717 1.00 0.00 C ATOM 69 O HIS A 292 2.885 3.158 -3.287 1.00 0.00 O ATOM 70 CB HIS A 292 1.657 5.960 -4.590 1.00 0.00 C ATOM 71 CG HIS A 292 1.182 5.577 -5.955 1.00 0.00 C ATOM 72 ND1 HIS A 292 0.025 4.914 -6.286 1.00 0.00 N ATOM 73 CD2 HIS A 292 1.855 5.841 -7.111 1.00 0.00 C ATOM 74 CE1 HIS A 292 0.044 4.706 -7.608 1.00 0.00 C ATOM 75 NE2 HIS A 292 1.131 5.271 -8.166 1.00 0.00 N ATOM 0 H HIS A 292 2.806 5.887 -2.370 1.00 0.00 H new ATOM 0 HA HIS A 292 0.215 4.895 -3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.242 6.937 -4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.741 6.072 -4.620 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.714 4.632 -5.642 1.00 0.00 H new ATOM 0 HD2 HIS A 292 2.780 6.391 -7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.711 4.159 -8.153 1.00 0.00 H new ATOM 83 N MET A 293 0.937 2.768 -4.373 1.00 0.00 N ATOM 84 CA MET A 293 1.027 1.320 -4.504 1.00 0.00 C ATOM 85 C MET A 293 0.506 0.902 -5.870 1.00 0.00 C ATOM 86 O MET A 293 -0.633 1.238 -6.203 1.00 0.00 O ATOM 87 CB MET A 293 0.183 0.620 -3.425 1.00 0.00 C ATOM 88 CG MET A 293 0.135 1.376 -2.101 1.00 0.00 C ATOM 89 SD MET A 293 -0.744 0.509 -0.790 1.00 0.00 S ATOM 90 CE MET A 293 0.426 -0.837 -0.515 1.00 0.00 C ATOM 0 H MET A 293 0.121 3.150 -4.851 1.00 0.00 H new ATOM 0 HA MET A 293 2.071 1.031 -4.387 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.833 0.491 -3.797 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.587 -0.377 -3.250 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.155 1.574 -1.771 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.340 2.343 -2.264 1.00 0.00 H new ATOM 0 HE1 MET A 293 0.327 -1.202 0.507 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.217 -1.649 -1.212 1.00 0.00 H new ATOM 0 HE3 MET A 293 1.442 -0.474 -0.674 1.00 0.00 H new ATOM 100 N ARG A 294 1.288 0.142 -6.644 1.00 0.00 N ATOM 101 CA ARG A 294 0.791 -0.444 -7.905 1.00 0.00 C ATOM 102 C ARG A 294 1.228 -1.885 -8.140 1.00 0.00 C ATOM 103 O ARG A 294 2.373 -2.248 -7.875 1.00 0.00 O ATOM 104 CB ARG A 294 1.188 0.405 -9.118 1.00 0.00 C ATOM 105 CG ARG A 294 0.786 1.881 -9.030 1.00 0.00 C ATOM 106 CD ARG A 294 0.817 2.567 -10.408 1.00 0.00 C ATOM 107 NE ARG A 294 1.963 2.143 -11.237 1.00 0.00 N ATOM 108 CZ ARG A 294 1.939 1.663 -12.467 1.00 0.00 C ATOM 109 NH1 ARG A 294 0.849 1.569 -13.180 1.00 0.00 N ATOM 110 NH2 ARG A 294 3.042 1.231 -13.004 1.00 0.00 N ATOM 0 H ARG A 294 2.259 -0.083 -6.427 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.293 -0.450 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.269 0.345 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.735 -0.028 -10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.216 1.960 -8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 294 1.461 2.401 -8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 294 -0.109 2.347 -10.938 1.00 0.00 H new ATOM 0 HD3 ARG A 294 0.856 3.647 -10.269 1.00 0.00 H new ATOM 0 HE ARG A 294 2.884 2.232 -10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 294 -0.043 1.875 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 294 0.890 1.190 -14.126 1.00 0.00 H new ATOM 0 HH21 ARG A 294 3.914 1.265 -12.476 1.00 0.00 H new ATOM 0 HH22 ARG A 294 3.035 0.858 -13.953 1.00 0.00 H new ATOM 124 N GLY A 295 0.306 -2.682 -8.673 1.00 0.00 N ATOM 125 CA GLY A 295 0.510 -4.073 -9.086 1.00 0.00 C ATOM 126 C GLY A 295 -0.168 -5.078 -8.154 1.00 0.00 C ATOM 127 O GLY A 295 0.138 -6.270 -8.226 1.00 0.00 O ATOM 0 H GLY A 295 -0.649 -2.364 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.125 -4.206 -10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.579 -4.283 -9.122 1.00 0.00 H new ATOM 131 N LEU A 296 -1.023 -4.605 -7.234 1.00 0.00 N ATOM 132 CA LEU A 296 -1.603 -5.418 -6.160 1.00 0.00 C ATOM 133 C LEU A 296 -2.355 -6.646 -6.720 1.00 0.00 C ATOM 134 O LEU A 296 -3.010 -6.543 -7.762 1.00 0.00 O ATOM 135 CB LEU A 296 -2.545 -4.581 -5.285 1.00 0.00 C ATOM 136 CG LEU A 296 -2.127 -3.198 -4.763 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.331 -2.589 -4.043 1.00 0.00 C ATOM 138 CD2 LEU A 296 -0.979 -3.276 -3.765 1.00 0.00 C ATOM 0 H LEU A 296 -1.333 -3.634 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.777 -5.775 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.466 -4.442 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -2.794 -5.188 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.797 -2.600 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.066 -1.604 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.163 -2.495 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.624 -3.234 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.722 -2.272 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.281 -3.881 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.112 -3.731 -4.243 1.00 0.00 H new ATOM 150 N PRO A 297 -2.296 -7.797 -6.031 1.00 0.00 N ATOM 151 CA PRO A 297 -2.953 -9.032 -6.477 1.00 0.00 C ATOM 152 C PRO A 297 -4.467 -8.999 -6.182 1.00 0.00 C ATOM 153 O PRO A 297 -4.955 -8.098 -5.509 1.00 0.00 O ATOM 154 CB PRO A 297 -2.243 -10.123 -5.673 1.00 0.00 C ATOM 155 CG PRO A 297 -2.055 -9.416 -4.333 1.00 0.00 C ATOM 156 CD PRO A 297 -1.732 -7.975 -4.695 1.00 0.00 C ATOM 0 HA PRO A 297 -2.879 -9.190 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -2.845 -11.027 -5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.294 -10.416 -6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -2.956 -9.478 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.249 -9.869 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.173 -7.278 -3.982 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.657 -7.796 -4.691 1.00 0.00 H new ATOM 164 N TYR A 298 -5.235 -10.004 -6.603 1.00 0.00 N ATOM 165 CA TYR A 298 -6.693 -10.073 -6.366 1.00 0.00 C ATOM 166 C TYR A 298 -7.148 -10.051 -4.893 1.00 0.00 C ATOM 167 O TYR A 298 -8.262 -9.602 -4.624 1.00 0.00 O ATOM 168 CB TYR A 298 -7.306 -11.284 -7.086 1.00 0.00 C ATOM 169 CG TYR A 298 -6.327 -12.405 -7.321 1.00 0.00 C ATOM 170 CD1 TYR A 298 -5.909 -13.203 -6.241 1.00 0.00 C ATOM 171 CD2 TYR A 298 -5.726 -12.533 -8.586 1.00 0.00 C ATOM 172 CE1 TYR A 298 -4.878 -14.143 -6.425 1.00 0.00 C ATOM 173 CE2 TYR A 298 -4.702 -13.482 -8.777 1.00 0.00 C ATOM 174 CZ TYR A 298 -4.274 -14.286 -7.695 1.00 0.00 C ATOM 175 OH TYR A 298 -3.266 -15.187 -7.860 1.00 0.00 O ATOM 0 H TYR A 298 -4.869 -10.802 -7.122 1.00 0.00 H new ATOM 0 HA TYR A 298 -7.068 -9.139 -6.785 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -8.143 -11.661 -6.498 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -7.711 -10.960 -8.045 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -6.378 -13.095 -5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -6.047 -11.908 -9.406 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -4.549 -14.754 -5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -4.244 -13.595 -9.749 1.00 0.00 H new ATOM 0 HH TYR A 298 -2.958 -15.166 -8.790 1.00 0.00 H new ATOM 185 N LYS A 299 -6.320 -10.474 -3.923 1.00 0.00 N ATOM 186 CA LYS A 299 -6.625 -10.292 -2.481 1.00 0.00 C ATOM 187 C LYS A 299 -6.725 -8.813 -2.043 1.00 0.00 C ATOM 188 O LYS A 299 -7.307 -8.533 -0.994 1.00 0.00 O ATOM 189 CB LYS A 299 -5.602 -11.042 -1.609 1.00 0.00 C ATOM 190 CG LYS A 299 -4.180 -10.570 -1.935 1.00 0.00 C ATOM 191 CD LYS A 299 -3.148 -10.741 -0.821 1.00 0.00 C ATOM 192 CE LYS A 299 -2.149 -9.573 -0.830 1.00 0.00 C ATOM 193 NZ LYS A 299 -1.637 -9.277 0.526 1.00 0.00 N ATOM 0 H LYS A 299 -5.433 -10.945 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 299 -7.617 -10.719 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -5.817 -10.870 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -5.685 -12.115 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -3.831 -11.112 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -4.221 -9.515 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -3.651 -10.790 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -2.616 -11.683 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -1.315 -9.813 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -2.632 -8.685 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -1.060 -8.412 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.437 -9.139 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -1.054 -10.071 0.858 1.00 0.00 H new ATOM 207 N ALA A 300 -6.157 -7.886 -2.826 1.00 0.00 N ATOM 208 CA ALA A 300 -6.089 -6.455 -2.568 1.00 0.00 C ATOM 209 C ALA A 300 -7.404 -5.845 -2.049 1.00 0.00 C ATOM 210 O ALA A 300 -8.451 -5.868 -2.699 1.00 0.00 O ATOM 211 CB ALA A 300 -5.591 -5.761 -3.827 1.00 0.00 C ATOM 0 H ALA A 300 -5.708 -8.138 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.387 -6.295 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.534 -4.687 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.602 -6.140 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -6.280 -5.958 -4.648 1.00 0.00 H new ATOM 217 N THR A 301 -7.284 -5.271 -0.859 1.00 0.00 N ATOM 218 CA THR A 301 -8.229 -4.479 -0.077 1.00 0.00 C ATOM 219 C THR A 301 -7.422 -3.436 0.657 1.00 0.00 C ATOM 220 O THR A 301 -6.233 -3.624 0.873 1.00 0.00 O ATOM 221 CB THR A 301 -8.972 -5.285 1.003 1.00 0.00 C ATOM 222 OG1 THR A 301 -9.201 -6.635 0.654 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.338 -4.693 1.270 1.00 0.00 C ATOM 0 H THR A 301 -6.404 -5.362 -0.351 1.00 0.00 H new ATOM 0 HA THR A 301 -8.971 -4.081 -0.769 1.00 0.00 H new ATOM 0 HB THR A 301 -8.316 -5.240 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.674 -7.086 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.845 -5.279 2.037 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.228 -3.664 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.927 -4.709 0.353 1.00 0.00 H new ATOM 231 N GLU A 302 -8.056 -2.367 1.112 1.00 0.00 N ATOM 232 CA GLU A 302 -7.399 -1.375 1.951 1.00 0.00 C ATOM 233 C GLU A 302 -6.693 -1.987 3.159 1.00 0.00 C ATOM 234 O GLU A 302 -5.513 -1.746 3.370 1.00 0.00 O ATOM 235 CB GLU A 302 -8.409 -0.319 2.371 1.00 0.00 C ATOM 236 CG GLU A 302 -9.805 -0.764 2.784 1.00 0.00 C ATOM 237 CD GLU A 302 -9.955 -1.438 4.154 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.857 -0.751 5.197 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.174 -2.671 4.173 1.00 0.00 O ATOM 0 H GLU A 302 -9.035 -2.162 0.912 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.612 -0.908 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -7.979 0.236 3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.517 0.382 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.456 0.110 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.176 -1.454 2.027 1.00 0.00 H new ATOM 246 N ASN A 303 -7.357 -2.849 3.920 1.00 0.00 N ATOM 247 CA ASN A 303 -6.714 -3.455 5.071 1.00 0.00 C ATOM 248 C ASN A 303 -5.635 -4.450 4.666 1.00 0.00 C ATOM 249 O ASN A 303 -4.569 -4.502 5.276 1.00 0.00 O ATOM 250 CB ASN A 303 -7.772 -4.031 6.004 1.00 0.00 C ATOM 251 CG ASN A 303 -8.366 -5.345 5.525 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.884 -6.427 5.832 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.413 -5.292 4.737 1.00 0.00 N ATOM 0 H ASN A 303 -8.323 -3.138 3.763 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.178 -2.688 5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.331 -4.181 6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.574 -3.302 6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.826 -6.153 4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.814 -4.390 4.482 1.00 0.00 H new ATOM 260 N ASP A 304 -5.877 -5.158 3.567 1.00 0.00 N ATOM 261 CA ASP A 304 -4.911 -6.065 2.975 1.00 0.00 C ATOM 262 C ASP A 304 -3.579 -5.363 2.678 1.00 0.00 C ATOM 263 O ASP A 304 -2.520 -5.882 3.027 1.00 0.00 O ATOM 264 CB ASP A 304 -5.499 -6.694 1.723 1.00 0.00 C ATOM 265 CG ASP A 304 -4.512 -7.677 1.094 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.101 -8.655 1.760 1.00 0.00 O ATOM 267 OD2 ASP A 304 -4.103 -7.427 -0.060 1.00 0.00 O ATOM 0 H ASP A 304 -6.761 -5.114 3.060 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.693 -6.854 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.426 -7.211 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.752 -5.915 1.004 1.00 0.00 H new ATOM 272 N ILE A 305 -3.623 -4.149 2.122 1.00 0.00 N ATOM 273 CA ILE A 305 -2.415 -3.421 1.731 1.00 0.00 C ATOM 274 C ILE A 305 -1.650 -2.856 2.910 1.00 0.00 C ATOM 275 O ILE A 305 -0.438 -3.049 3.009 1.00 0.00 O ATOM 276 CB ILE A 305 -2.711 -2.326 0.702 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.812 -1.342 1.092 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.068 -3.059 -0.594 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.899 -0.074 0.263 1.00 0.00 C ATOM 0 H ILE A 305 -4.490 -3.647 1.932 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.769 -4.163 1.261 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.831 -1.690 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.770 -1.858 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.667 -1.061 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.292 -2.331 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.227 -3.678 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -3.940 -3.691 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.716 0.546 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.962 0.477 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.082 -0.333 -0.780 1.00 0.00 H new ATOM 291 N TYR A 306 -2.325 -2.183 3.837 1.00 0.00 N ATOM 292 CA TYR A 306 -1.587 -1.485 4.876 1.00 0.00 C ATOM 293 C TYR A 306 -1.097 -2.445 5.956 1.00 0.00 C ATOM 294 O TYR A 306 -0.061 -2.209 6.578 1.00 0.00 O ATOM 295 CB TYR A 306 -2.407 -0.326 5.409 1.00 0.00 C ATOM 296 CG TYR A 306 -3.444 -0.675 6.443 1.00 0.00 C ATOM 297 CD1 TYR A 306 -3.019 -0.980 7.749 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.812 -0.577 6.129 1.00 0.00 C ATOM 299 CE1 TYR A 306 -3.976 -1.194 8.759 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.771 -0.766 7.146 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.354 -1.080 8.460 1.00 0.00 C ATOM 302 OH TYR A 306 -6.275 -1.278 9.443 1.00 0.00 O ATOM 0 H TYR A 306 -3.341 -2.108 3.889 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.682 -1.055 4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.726 0.408 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.907 0.157 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -1.965 -1.050 7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.125 -0.359 5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.659 -1.445 9.760 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.823 -0.671 6.921 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.176 -1.162 9.075 1.00 0.00 H new ATOM 312 N ASN A 307 -1.825 -3.550 6.144 1.00 0.00 N ATOM 313 CA ASN A 307 -1.400 -4.613 7.054 1.00 0.00 C ATOM 314 C ASN A 307 -0.371 -5.561 6.421 1.00 0.00 C ATOM 315 O ASN A 307 0.319 -6.263 7.165 1.00 0.00 O ATOM 316 CB ASN A 307 -2.606 -5.352 7.657 1.00 0.00 C ATOM 317 CG ASN A 307 -2.838 -6.751 7.101 1.00 0.00 C ATOM 318 OD1 ASN A 307 -2.683 -7.756 7.782 1.00 0.00 O ATOM 319 ND2 ASN A 307 -3.173 -6.868 5.842 1.00 0.00 N ATOM 0 H ASN A 307 -2.713 -3.730 5.676 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.878 -4.134 7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.469 -5.423 8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.502 -4.755 7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -3.304 -7.793 5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.304 -6.034 5.269 1.00 0.00 H new ATOM 326 N PHE A 308 -0.224 -5.570 5.085 1.00 0.00 N ATOM 327 CA PHE A 308 0.987 -6.135 4.505 1.00 0.00 C ATOM 328 C PHE A 308 2.137 -5.198 4.843 1.00 0.00 C ATOM 329 O PHE A 308 3.108 -5.695 5.415 1.00 0.00 O ATOM 330 CB PHE A 308 0.910 -6.408 2.983 1.00 0.00 C ATOM 331 CG PHE A 308 1.836 -5.586 2.092 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.239 -5.689 2.206 1.00 0.00 C ATOM 333 CD2 PHE A 308 1.296 -4.658 1.188 1.00 0.00 C ATOM 334 CE1 PHE A 308 4.074 -4.841 1.472 1.00 0.00 C ATOM 335 CE2 PHE A 308 2.125 -3.830 0.430 1.00 0.00 C ATOM 336 CZ PHE A 308 3.509 -3.923 0.584 1.00 0.00 C ATOM 0 H PHE A 308 -0.903 -5.206 4.417 1.00 0.00 H new ATOM 0 HA PHE A 308 1.137 -7.124 4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.125 -7.463 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 308 -0.116 -6.236 2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.671 -6.428 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 308 0.224 -4.584 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 308 5.146 -4.895 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 308 1.700 -3.125 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 308 4.153 -3.275 0.008 1.00 0.00 H new ATOM 346 N PHE A 309 1.998 -3.898 4.480 1.00 0.00 N ATOM 347 CA PHE A 309 3.088 -2.925 4.344 1.00 0.00 C ATOM 348 C PHE A 309 4.098 -3.171 5.459 1.00 0.00 C ATOM 349 O PHE A 309 5.132 -3.790 5.242 1.00 0.00 O ATOM 350 CB PHE A 309 2.550 -1.478 4.400 1.00 0.00 C ATOM 351 CG PHE A 309 2.716 -0.611 3.176 1.00 0.00 C ATOM 352 CD1 PHE A 309 4.011 -0.392 2.677 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.637 0.126 2.657 1.00 0.00 C ATOM 354 CE1 PHE A 309 4.241 0.602 1.713 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.870 1.092 1.664 1.00 0.00 C ATOM 356 CZ PHE A 309 3.167 1.349 1.213 1.00 0.00 C ATOM 0 H PHE A 309 1.086 -3.493 4.268 1.00 0.00 H new ATOM 0 HA PHE A 309 3.571 -3.051 3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.486 -1.526 4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 309 3.036 -0.973 5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.834 -0.992 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.635 -0.049 3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 309 5.243 0.790 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.039 1.641 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 309 3.341 2.123 0.480 1.00 0.00 H new ATOM 366 N SER A 310 3.695 -2.827 6.677 1.00 0.00 N ATOM 367 CA SER A 310 4.347 -3.230 7.926 1.00 0.00 C ATOM 368 C SER A 310 3.310 -3.267 9.065 1.00 0.00 C ATOM 369 O SER A 310 2.116 -3.113 8.788 1.00 0.00 O ATOM 370 CB SER A 310 5.539 -2.303 8.252 1.00 0.00 C ATOM 371 OG SER A 310 5.915 -1.403 7.217 1.00 0.00 O ATOM 0 H SER A 310 2.876 -2.239 6.832 1.00 0.00 H new ATOM 0 HA SER A 310 4.756 -4.234 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 310 5.294 -1.724 9.142 1.00 0.00 H new ATOM 0 HB3 SER A 310 6.401 -2.922 8.502 1.00 0.00 H new ATOM 0 HG SER A 310 6.674 -0.860 7.516 1.00 0.00 H new ATOM 377 N PRO A 311 3.707 -3.446 10.340 1.00 0.00 N ATOM 378 CA PRO A 311 2.859 -3.243 11.526 1.00 0.00 C ATOM 379 C PRO A 311 2.235 -1.830 11.733 1.00 0.00 C ATOM 380 O PRO A 311 2.086 -1.365 12.868 1.00 0.00 O ATOM 381 CB PRO A 311 3.738 -3.664 12.712 1.00 0.00 C ATOM 382 CG PRO A 311 4.700 -4.680 12.109 1.00 0.00 C ATOM 383 CD PRO A 311 4.964 -4.075 10.736 1.00 0.00 C ATOM 0 HA PRO A 311 1.955 -3.840 11.406 1.00 0.00 H new ATOM 0 HB2 PRO A 311 4.270 -2.813 13.138 1.00 0.00 H new ATOM 0 HB3 PRO A 311 3.144 -4.102 13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 311 5.613 -4.778 12.696 1.00 0.00 H new ATOM 0 HG3 PRO A 311 4.257 -5.673 12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.772 -3.345 10.777 1.00 0.00 H new ATOM 0 HD3 PRO A 311 5.262 -4.841 10.020 1.00 0.00 H new ATOM 391 N LEU A 312 1.928 -1.107 10.653 1.00 0.00 N ATOM 392 CA LEU A 312 1.539 0.305 10.600 1.00 0.00 C ATOM 393 C LEU A 312 0.074 0.563 10.979 1.00 0.00 C ATOM 394 O LEU A 312 -0.758 -0.344 11.032 1.00 0.00 O ATOM 395 CB LEU A 312 1.770 0.825 9.176 1.00 0.00 C ATOM 396 CG LEU A 312 3.126 0.519 8.534 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.257 1.367 7.288 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.349 0.839 9.379 1.00 0.00 C ATOM 0 H LEU A 312 1.946 -1.525 9.723 1.00 0.00 H new ATOM 0 HA LEU A 312 2.152 0.825 11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.991 0.413 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.636 1.907 9.185 1.00 0.00 H new ATOM 0 HG LEU A 312 3.120 -0.558 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.217 1.167 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.450 1.124 6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.198 2.421 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.252 0.582 8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.359 1.903 9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.314 0.262 10.303 1.00 0.00 H new ATOM 410 N ASN A 313 -0.251 1.842 11.159 1.00 0.00 N ATOM 411 CA ASN A 313 -1.579 2.402 11.398 1.00 0.00 C ATOM 412 C ASN A 313 -1.791 3.664 10.512 1.00 0.00 C ATOM 413 O ASN A 313 -1.558 4.797 10.949 1.00 0.00 O ATOM 414 CB ASN A 313 -1.774 2.709 12.896 1.00 0.00 C ATOM 415 CG ASN A 313 -2.334 1.578 13.750 1.00 0.00 C ATOM 416 OD1 ASN A 313 -2.968 1.812 14.771 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.153 0.329 13.390 1.00 0.00 N ATOM 0 H ASN A 313 0.463 2.570 11.140 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.335 1.669 11.118 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -0.812 3.008 13.312 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.440 3.567 12.985 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.538 -0.426 13.958 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.628 0.113 12.543 1.00 0.00 H new ATOM 424 N PRO A 314 -2.258 3.490 9.261 1.00 0.00 N ATOM 425 CA PRO A 314 -2.924 4.517 8.493 1.00 0.00 C ATOM 426 C PRO A 314 -4.068 5.099 9.289 1.00 0.00 C ATOM 427 O PRO A 314 -4.795 4.428 10.027 1.00 0.00 O ATOM 428 CB PRO A 314 -3.467 3.897 7.209 1.00 0.00 C ATOM 429 CG PRO A 314 -2.966 2.472 7.218 1.00 0.00 C ATOM 430 CD PRO A 314 -2.585 2.230 8.680 1.00 0.00 C ATOM 0 HA PRO A 314 -2.216 5.311 8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.556 3.932 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -3.111 4.435 6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.735 1.775 6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -2.110 2.344 6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.411 1.765 9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.737 1.548 8.746 1.00 0.00 H new ATOM 438 N VAL A 315 -4.238 6.374 9.036 1.00 0.00 N ATOM 439 CA VAL A 315 -5.340 7.181 9.538 1.00 0.00 C ATOM 440 C VAL A 315 -6.427 7.315 8.468 1.00 0.00 C ATOM 441 O VAL A 315 -7.528 7.787 8.756 1.00 0.00 O ATOM 442 CB VAL A 315 -4.763 8.501 10.066 1.00 0.00 C ATOM 443 CG1 VAL A 315 -3.610 8.144 11.020 1.00 0.00 C ATOM 444 CG2 VAL A 315 -4.236 9.414 8.956 1.00 0.00 C ATOM 0 H VAL A 315 -3.591 6.905 8.453 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.849 6.709 10.378 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.560 9.052 10.565 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.171 9.059 11.419 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -3.992 7.537 11.841 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -2.849 7.583 10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.842 10.330 9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.443 8.903 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -5.048 9.660 8.271 1.00 0.00 H new ATOM 454 N ARG A 316 -6.130 6.823 7.251 1.00 0.00 N ATOM 455 CA ARG A 316 -7.049 6.645 6.123 1.00 0.00 C ATOM 456 C ARG A 316 -6.469 5.667 5.067 1.00 0.00 C ATOM 457 O ARG A 316 -5.272 5.388 5.088 1.00 0.00 O ATOM 458 CB ARG A 316 -7.298 8.048 5.530 1.00 0.00 C ATOM 459 CG ARG A 316 -8.766 8.507 5.560 1.00 0.00 C ATOM 460 CD ARG A 316 -9.679 7.751 4.582 1.00 0.00 C ATOM 461 NE ARG A 316 -9.231 7.924 3.188 1.00 0.00 N ATOM 462 CZ ARG A 316 -9.942 7.888 2.082 1.00 0.00 C ATOM 463 NH1 ARG A 316 -11.217 7.613 2.058 1.00 0.00 N ATOM 464 NH2 ARG A 316 -9.335 8.158 0.965 1.00 0.00 N ATOM 0 H ARG A 316 -5.183 6.522 7.020 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.987 6.198 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.694 8.771 6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.949 8.058 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -9.154 8.384 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.808 9.572 5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.687 6.691 4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -10.703 8.111 4.685 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.233 8.095 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -11.712 7.412 2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -11.719 7.599 1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.341 8.388 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.852 8.140 0.086 1.00 0.00 H new ATOM 478 N VAL A 317 -7.264 5.173 4.110 1.00 0.00 N ATOM 479 CA VAL A 317 -6.786 4.355 2.963 1.00 0.00 C ATOM 480 C VAL A 317 -7.580 4.675 1.690 1.00 0.00 C ATOM 481 O VAL A 317 -8.779 4.955 1.759 1.00 0.00 O ATOM 482 CB VAL A 317 -6.882 2.830 3.225 1.00 0.00 C ATOM 483 CG1 VAL A 317 -6.062 2.043 2.187 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.445 2.324 4.599 1.00 0.00 C ATOM 0 H VAL A 317 -8.272 5.326 4.101 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.736 4.618 2.835 1.00 0.00 H new ATOM 0 HB VAL A 317 -7.956 2.658 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -6.145 0.976 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.444 2.252 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -5.016 2.344 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.565 1.242 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.399 2.580 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.059 2.789 5.370 1.00 0.00 H new ATOM 494 N HIS A 318 -6.938 4.551 0.525 1.00 0.00 N ATOM 495 CA HIS A 318 -7.508 4.783 -0.803 1.00 0.00 C ATOM 496 C HIS A 318 -7.177 3.630 -1.754 1.00 0.00 C ATOM 497 O HIS A 318 -6.300 3.675 -2.617 1.00 0.00 O ATOM 498 CB HIS A 318 -7.038 6.134 -1.339 1.00 0.00 C ATOM 499 CG HIS A 318 -7.433 6.388 -2.776 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.707 6.506 -3.285 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.578 6.345 -3.844 1.00 0.00 C ATOM 502 CE1 HIS A 318 -8.621 6.541 -4.627 1.00 0.00 C ATOM 503 NE2 HIS A 318 -7.335 6.454 -5.018 1.00 0.00 N ATOM 0 H HIS A 318 -5.958 4.272 0.482 1.00 0.00 H new ATOM 0 HA HIS A 318 -8.595 4.815 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -7.449 6.926 -0.713 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.953 6.191 -1.254 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.504 6.244 -3.791 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -9.464 6.627 -5.296 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -6.983 6.465 -5.975 1.00 0.00 H new ATOM 511 N ILE A 319 -7.904 2.546 -1.552 1.00 0.00 N ATOM 512 CA ILE A 319 -7.858 1.344 -2.372 1.00 0.00 C ATOM 513 C ILE A 319 -8.637 1.542 -3.692 1.00 0.00 C ATOM 514 O ILE A 319 -9.732 2.111 -3.689 1.00 0.00 O ATOM 515 CB ILE A 319 -8.406 0.223 -1.483 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.175 -1.177 -2.062 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.906 0.354 -1.172 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.709 -1.552 -2.305 1.00 0.00 C ATOM 0 H ILE A 319 -8.570 2.474 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.849 1.093 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 319 -7.836 0.341 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.612 -1.909 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.714 -1.255 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.220 -0.476 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.089 1.296 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.474 0.335 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.655 -2.560 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.266 -0.849 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.163 -1.514 -1.363 1.00 0.00 H new ATOM 530 N GLU A 320 -8.089 1.092 -4.826 1.00 0.00 N ATOM 531 CA GLU A 320 -8.750 1.217 -6.146 1.00 0.00 C ATOM 532 C GLU A 320 -8.253 0.236 -7.228 1.00 0.00 C ATOM 533 O GLU A 320 -7.043 0.057 -7.396 1.00 0.00 O ATOM 534 CB GLU A 320 -8.586 2.670 -6.652 1.00 0.00 C ATOM 535 CG GLU A 320 -9.343 3.000 -7.949 1.00 0.00 C ATOM 536 CD GLU A 320 -10.871 2.892 -7.773 1.00 0.00 C ATOM 537 OE1 GLU A 320 -11.403 1.757 -7.794 1.00 0.00 O ATOM 538 OE2 GLU A 320 -11.548 3.938 -7.622 1.00 0.00 O ATOM 0 H GLU A 320 -7.179 0.632 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.795 0.955 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.923 3.350 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -7.525 2.866 -6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -9.086 4.009 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -9.021 2.321 -8.739 1.00 0.00 H new ATOM 545 N ILE A 321 -9.214 -0.338 -7.980 1.00 0.00 N ATOM 546 CA ILE A 321 -9.083 -1.057 -9.271 1.00 0.00 C ATOM 547 C ILE A 321 -10.459 -1.503 -9.822 1.00 0.00 C ATOM 548 O ILE A 321 -11.502 -1.205 -9.244 1.00 0.00 O ATOM 549 CB ILE A 321 -8.084 -2.238 -9.175 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.206 -2.404 -10.425 1.00 0.00 C ATOM 551 CG2 ILE A 321 -8.706 -3.611 -8.972 1.00 0.00 C ATOM 552 CD1 ILE A 321 -6.143 -1.344 -10.600 1.00 0.00 C ATOM 0 H ILE A 321 -10.187 -0.310 -7.676 1.00 0.00 H new ATOM 0 HA ILE A 321 -8.668 -0.351 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 321 -7.512 -1.943 -8.295 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -6.722 -3.380 -10.385 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -7.848 -2.403 -11.306 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -7.919 -4.363 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -9.278 -3.618 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -9.368 -3.838 -9.808 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -5.575 -1.545 -11.508 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -6.615 -0.365 -10.677 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -5.471 -1.357 -9.742 1.00 0.00 H new ATOM 564 N GLY A 322 -10.425 -2.294 -10.902 1.00 0.00 N ATOM 565 CA GLY A 322 -11.523 -2.879 -11.673 1.00 0.00 C ATOM 566 C GLY A 322 -12.899 -2.989 -10.986 1.00 0.00 C ATOM 567 O GLY A 322 -13.769 -2.146 -11.230 1.00 0.00 O ATOM 0 H GLY A 322 -9.526 -2.568 -11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -11.647 -2.289 -12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -11.221 -3.880 -11.982 1.00 0.00 H new ATOM 571 N PRO A 323 -13.121 -4.020 -10.147 1.00 0.00 N ATOM 572 CA PRO A 323 -14.424 -4.313 -9.538 1.00 0.00 C ATOM 573 C PRO A 323 -14.727 -3.526 -8.247 1.00 0.00 C ATOM 574 O PRO A 323 -15.895 -3.284 -7.942 1.00 0.00 O ATOM 575 CB PRO A 323 -14.350 -5.817 -9.228 1.00 0.00 C ATOM 576 CG PRO A 323 -12.869 -6.050 -8.937 1.00 0.00 C ATOM 577 CD PRO A 323 -12.192 -5.121 -9.931 1.00 0.00 C ATOM 0 HA PRO A 323 -15.227 -4.022 -10.215 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -14.973 -6.082 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -14.693 -6.418 -10.071 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -12.613 -5.800 -7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -12.583 -7.090 -9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.241 -4.758 -9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -11.977 -5.639 -10.865 1.00 0.00 H new ATOM 585 N ASP A 324 -13.676 -3.171 -7.492 1.00 0.00 N ATOM 586 CA ASP A 324 -13.635 -2.833 -6.043 1.00 0.00 C ATOM 587 C ASP A 324 -12.189 -2.819 -5.457 1.00 0.00 C ATOM 588 O ASP A 324 -12.000 -2.482 -4.289 1.00 0.00 O ATOM 589 CB ASP A 324 -14.519 -3.823 -5.235 1.00 0.00 C ATOM 590 CG ASP A 324 -14.702 -3.477 -3.745 1.00 0.00 C ATOM 591 OD1 ASP A 324 -15.100 -2.331 -3.423 1.00 0.00 O ATOM 592 OD2 ASP A 324 -14.520 -4.389 -2.900 1.00 0.00 O ATOM 0 H ASP A 324 -12.747 -3.104 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 324 -14.026 -1.820 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.502 -3.872 -5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -14.081 -4.819 -5.309 1.00 0.00 H new ATOM 597 N GLY A 325 -11.156 -3.215 -6.228 1.00 0.00 N ATOM 598 CA GLY A 325 -9.753 -3.306 -5.772 1.00 0.00 C ATOM 599 C GLY A 325 -8.995 -4.595 -6.093 1.00 0.00 C ATOM 600 O GLY A 325 -7.864 -4.723 -5.651 1.00 0.00 O ATOM 0 H GLY A 325 -11.275 -3.486 -7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -9.202 -2.473 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.740 -3.167 -4.691 1.00 0.00 H new ATOM 604 N ARG A 326 -9.567 -5.542 -6.853 1.00 0.00 N ATOM 605 CA ARG A 326 -9.222 -6.975 -6.766 1.00 0.00 C ATOM 606 C ARG A 326 -8.627 -7.547 -8.073 1.00 0.00 C ATOM 607 O ARG A 326 -8.964 -8.667 -8.453 1.00 0.00 O ATOM 608 CB ARG A 326 -10.459 -7.773 -6.266 1.00 0.00 C ATOM 609 CG ARG A 326 -10.924 -7.550 -4.811 1.00 0.00 C ATOM 610 CD ARG A 326 -11.393 -6.125 -4.491 1.00 0.00 C ATOM 611 NE ARG A 326 -12.283 -6.032 -3.320 1.00 0.00 N ATOM 612 CZ ARG A 326 -12.016 -6.279 -2.054 1.00 0.00 C ATOM 613 NH1 ARG A 326 -10.871 -6.745 -1.655 1.00 0.00 N ATOM 614 NH2 ARG A 326 -12.928 -6.018 -1.168 1.00 0.00 N ATOM 0 H ARG A 326 -10.285 -5.338 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 326 -8.418 -7.084 -6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -11.296 -7.539 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -10.244 -8.834 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -11.739 -8.241 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -10.104 -7.806 -4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -10.519 -5.496 -4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -11.911 -5.721 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 326 -13.239 -5.735 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -10.133 -6.935 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -10.710 -6.921 -0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -13.826 -5.631 -1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -12.747 -6.200 -0.181 1.00 0.00 H new ATOM 628 N VAL A 327 -7.769 -6.804 -8.794 1.00 0.00 N ATOM 629 CA VAL A 327 -7.199 -7.256 -10.093 1.00 0.00 C ATOM 630 C VAL A 327 -5.701 -7.023 -10.220 1.00 0.00 C ATOM 631 O VAL A 327 -4.912 -7.960 -10.344 1.00 0.00 O ATOM 632 CB VAL A 327 -7.975 -6.599 -11.258 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.343 -6.743 -12.643 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.394 -7.154 -11.260 1.00 0.00 C ATOM 0 H VAL A 327 -7.448 -5.880 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.322 -8.338 -10.137 1.00 0.00 H new ATOM 0 HB VAL A 327 -7.955 -5.525 -11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -7.970 -6.246 -13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.353 -6.286 -12.641 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -7.254 -7.800 -12.894 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -9.960 -6.703 -12.075 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -9.362 -8.235 -11.395 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -9.877 -6.921 -10.311 1.00 0.00 H new ATOM 644 N THR A 328 -5.342 -5.749 -10.206 1.00 0.00 N ATOM 645 CA THR A 328 -3.997 -5.233 -10.520 1.00 0.00 C ATOM 646 C THR A 328 -3.619 -4.007 -9.664 1.00 0.00 C ATOM 647 O THR A 328 -2.657 -3.308 -9.973 1.00 0.00 O ATOM 648 CB THR A 328 -3.896 -4.986 -12.043 1.00 0.00 C ATOM 649 OG1 THR A 328 -2.564 -4.731 -12.442 1.00 0.00 O ATOM 650 CG2 THR A 328 -4.791 -3.859 -12.579 1.00 0.00 C ATOM 0 H THR A 328 -5.999 -5.006 -9.967 1.00 0.00 H new ATOM 0 HA THR A 328 -3.252 -5.982 -10.251 1.00 0.00 H new ATOM 0 HB THR A 328 -4.259 -5.917 -12.479 1.00 0.00 H new ATOM 0 HG1 THR A 328 -2.158 -4.082 -11.831 1.00 0.00 H new ATOM 0 HG21 THR A 328 -4.649 -3.763 -13.655 1.00 0.00 H new ATOM 0 HG22 THR A 328 -5.835 -4.093 -12.370 1.00 0.00 H new ATOM 0 HG23 THR A 328 -4.525 -2.921 -12.093 1.00 0.00 H new ATOM 658 N GLY A 329 -4.419 -3.759 -8.611 1.00 0.00 N ATOM 659 CA GLY A 329 -4.519 -2.623 -7.684 1.00 0.00 C ATOM 660 C GLY A 329 -3.520 -1.473 -7.787 1.00 0.00 C ATOM 661 O GLY A 329 -2.305 -1.661 -7.798 1.00 0.00 O ATOM 0 H GLY A 329 -5.114 -4.461 -8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.517 -2.199 -7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -4.453 -3.022 -6.672 1.00 0.00 H new ATOM 665 N GLU A 330 -4.069 -0.263 -7.812 1.00 0.00 N ATOM 666 CA GLU A 330 -3.388 0.984 -8.164 1.00 0.00 C ATOM 667 C GLU A 330 -3.925 2.110 -7.265 1.00 0.00 C ATOM 668 O GLU A 330 -4.885 2.813 -7.589 1.00 0.00 O ATOM 669 CB GLU A 330 -3.590 1.256 -9.661 1.00 0.00 C ATOM 670 CG GLU A 330 -2.672 0.382 -10.518 1.00 0.00 C ATOM 671 CD GLU A 330 -2.746 0.774 -12.005 1.00 0.00 C ATOM 672 OE1 GLU A 330 -3.654 0.298 -12.727 1.00 0.00 O ATOM 673 OE2 GLU A 330 -1.880 1.562 -12.462 1.00 0.00 O ATOM 0 H GLU A 330 -5.050 -0.115 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.313 0.919 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -4.629 1.067 -9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -3.393 2.307 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -1.645 0.477 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -2.953 -0.665 -10.402 1.00 0.00 H new ATOM 680 N ALA A 331 -3.336 2.193 -6.074 1.00 0.00 N ATOM 681 CA ALA A 331 -3.945 2.681 -4.847 1.00 0.00 C ATOM 682 C ALA A 331 -2.997 3.584 -4.040 1.00 0.00 C ATOM 683 O ALA A 331 -1.822 3.758 -4.382 1.00 0.00 O ATOM 684 CB ALA A 331 -4.320 1.406 -4.074 1.00 0.00 C ATOM 0 H ALA A 331 -2.367 1.905 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.810 3.313 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -4.789 1.678 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.016 0.813 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.421 0.822 -3.878 1.00 0.00 H new ATOM 690 N ASP A 332 -3.514 4.132 -2.942 1.00 0.00 N ATOM 691 CA ASP A 332 -2.757 4.890 -1.949 1.00 0.00 C ATOM 692 C ASP A 332 -3.222 4.529 -0.525 1.00 0.00 C ATOM 693 O ASP A 332 -4.258 3.892 -0.310 1.00 0.00 O ATOM 694 CB ASP A 332 -2.861 6.412 -2.177 1.00 0.00 C ATOM 695 CG ASP A 332 -1.693 7.021 -2.970 1.00 0.00 C ATOM 696 OD1 ASP A 332 -1.763 7.047 -4.221 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.740 7.533 -2.335 1.00 0.00 O ATOM 0 H ASP A 332 -4.505 4.058 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.709 4.614 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.791 6.625 -2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.923 6.908 -1.208 1.00 0.00 H new ATOM 702 N VAL A 333 -2.445 4.967 0.459 1.00 0.00 N ATOM 703 CA VAL A 333 -2.737 4.821 1.889 1.00 0.00 C ATOM 704 C VAL A 333 -2.127 5.923 2.707 1.00 0.00 C ATOM 705 O VAL A 333 -0.992 6.335 2.492 1.00 0.00 O ATOM 706 CB VAL A 333 -2.331 3.435 2.411 1.00 0.00 C ATOM 707 CG1 VAL A 333 -1.010 2.851 1.954 1.00 0.00 C ATOM 708 CG2 VAL A 333 -2.457 3.287 3.920 1.00 0.00 C ATOM 0 H VAL A 333 -1.564 5.450 0.282 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.818 4.907 2.001 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.086 2.831 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -0.869 1.871 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -1.013 2.750 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.197 3.511 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -2.153 2.282 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -1.816 4.019 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -3.492 3.454 4.217 1.00 0.00 H new ATOM 718 N GLU A 334 -2.931 6.411 3.640 1.00 0.00 N ATOM 719 CA GLU A 334 -2.761 7.700 4.259 1.00 0.00 C ATOM 720 C GLU A 334 -2.362 7.539 5.714 1.00 0.00 C ATOM 721 O GLU A 334 -3.111 7.023 6.544 1.00 0.00 O ATOM 722 CB GLU A 334 -4.053 8.491 4.190 1.00 0.00 C ATOM 723 CG GLU A 334 -4.528 8.953 2.812 1.00 0.00 C ATOM 724 CD GLU A 334 -5.588 8.065 2.142 1.00 0.00 C ATOM 725 OE1 GLU A 334 -5.260 6.936 1.723 1.00 0.00 O ATOM 726 OE2 GLU A 334 -6.754 8.509 2.000 1.00 0.00 O ATOM 0 H GLU A 334 -3.741 5.900 3.992 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.976 8.233 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.843 7.883 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -3.941 9.374 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.931 9.961 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.663 9.016 2.152 1.00 0.00 H new ATOM 733 N PHE A 335 -1.156 7.986 6.022 1.00 0.00 N ATOM 734 CA PHE A 335 -0.441 7.528 7.207 1.00 0.00 C ATOM 735 C PHE A 335 -0.132 8.649 8.206 1.00 0.00 C ATOM 736 O PHE A 335 -0.179 9.836 7.877 1.00 0.00 O ATOM 737 CB PHE A 335 0.862 6.845 6.759 1.00 0.00 C ATOM 738 CG PHE A 335 0.759 5.380 6.378 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.337 4.424 7.315 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.199 4.937 5.123 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.288 3.070 6.973 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.175 3.578 4.781 1.00 0.00 C ATOM 743 CZ PHE A 335 0.665 2.642 5.691 1.00 0.00 C ATOM 0 H PHE A 335 -0.646 8.671 5.464 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.091 6.829 7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.259 7.393 5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.591 6.938 7.564 1.00 0.00 H new ATOM 0 HD1 PHE A 335 0.048 4.737 8.307 1.00 0.00 H new ATOM 0 HD2 PHE A 335 1.564 5.657 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.043 2.346 7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 335 1.548 3.254 3.821 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.563 1.604 5.409 1.00 0.00 H new ATOM 753 N ALA A 336 0.291 8.248 9.408 1.00 0.00 N ATOM 754 CA ALA A 336 0.919 9.088 10.410 1.00 0.00 C ATOM 755 C ALA A 336 2.410 9.325 10.120 1.00 0.00 C ATOM 756 O ALA A 336 3.301 8.983 10.902 1.00 0.00 O ATOM 757 CB ALA A 336 0.781 8.441 11.772 1.00 0.00 C ATOM 0 H ALA A 336 0.196 7.280 9.716 1.00 0.00 H new ATOM 0 HA ALA A 336 0.414 10.054 10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.253 9.073 12.524 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.275 8.319 12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.266 7.465 11.762 1.00 0.00 H new ATOM 763 N THR A 337 2.694 9.865 8.948 1.00 0.00 N ATOM 764 CA THR A 337 3.764 10.795 8.601 1.00 0.00 C ATOM 765 C THR A 337 4.645 10.182 7.532 1.00 0.00 C ATOM 766 O THR A 337 4.489 9.005 7.195 1.00 0.00 O ATOM 767 CB THR A 337 4.574 11.325 9.796 1.00 0.00 C ATOM 768 OG1 THR A 337 5.368 10.372 10.436 1.00 0.00 O ATOM 769 CG2 THR A 337 3.740 12.135 10.783 1.00 0.00 C ATOM 0 H THR A 337 2.126 9.643 8.131 1.00 0.00 H new ATOM 0 HA THR A 337 3.283 11.689 8.205 1.00 0.00 H new ATOM 0 HB THR A 337 5.279 12.018 9.337 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.801 9.647 10.773 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.375 12.478 11.600 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.308 12.996 10.273 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.940 11.511 11.182 1.00 0.00 H new ATOM 777 N HIS A 338 5.600 10.965 7.024 1.00 0.00 N ATOM 778 CA HIS A 338 6.715 10.410 6.270 1.00 0.00 C ATOM 779 C HIS A 338 7.333 9.261 7.062 1.00 0.00 C ATOM 780 O HIS A 338 7.547 8.205 6.514 1.00 0.00 O ATOM 781 CB HIS A 338 7.721 11.535 5.973 1.00 0.00 C ATOM 782 CG HIS A 338 9.023 11.087 5.355 1.00 0.00 C ATOM 783 ND1 HIS A 338 9.205 10.087 4.426 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.259 11.611 5.629 1.00 0.00 C ATOM 785 CE1 HIS A 338 10.520 10.003 4.156 1.00 0.00 C ATOM 786 NE2 HIS A 338 11.205 10.917 4.865 1.00 0.00 N ATOM 0 H HIS A 338 5.619 11.980 7.123 1.00 0.00 H new ATOM 0 HA HIS A 338 6.383 10.003 5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.249 12.255 5.305 1.00 0.00 H new ATOM 0 HB3 HIS A 338 7.940 12.059 6.903 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.467 12.419 6.315 1.00 0.00 H new ATOM 0 HE1 HIS A 338 10.963 9.300 3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 338 12.213 11.074 4.849 1.00 0.00 H new ATOM 794 N GLU A 339 7.493 9.399 8.371 1.00 0.00 N ATOM 795 CA GLU A 339 8.035 8.400 9.280 1.00 0.00 C ATOM 796 C GLU A 339 7.171 7.120 9.416 1.00 0.00 C ATOM 797 O GLU A 339 7.746 6.029 9.489 1.00 0.00 O ATOM 798 CB GLU A 339 8.397 9.064 10.616 1.00 0.00 C ATOM 799 CG GLU A 339 9.417 10.196 10.391 1.00 0.00 C ATOM 800 CD GLU A 339 9.908 10.798 11.722 1.00 0.00 C ATOM 801 OE1 GLU A 339 10.707 10.145 12.436 1.00 0.00 O ATOM 802 OE2 GLU A 339 9.515 11.941 12.060 1.00 0.00 O ATOM 0 H GLU A 339 7.233 10.259 8.853 1.00 0.00 H new ATOM 0 HA GLU A 339 8.953 8.012 8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.499 9.463 11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.812 8.322 11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.269 9.811 9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 339 8.963 10.979 9.784 1.00 0.00 H new ATOM 809 N GLU A 340 5.827 7.166 9.349 1.00 0.00 N ATOM 810 CA GLU A 340 5.025 5.944 9.226 1.00 0.00 C ATOM 811 C GLU A 340 5.174 5.278 7.847 1.00 0.00 C ATOM 812 O GLU A 340 5.419 4.080 7.710 1.00 0.00 O ATOM 813 CB GLU A 340 3.580 6.307 9.545 1.00 0.00 C ATOM 814 CG GLU A 340 2.550 5.190 9.474 1.00 0.00 C ATOM 815 CD GLU A 340 2.620 4.267 10.709 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.721 3.889 11.169 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.546 3.933 11.253 1.00 0.00 O ATOM 0 H GLU A 340 5.283 8.028 9.378 1.00 0.00 H new ATOM 0 HA GLU A 340 5.382 5.195 9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.552 6.729 10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.271 7.096 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.552 5.621 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.713 4.602 8.571 1.00 0.00 H new ATOM 824 N ALA A 341 5.079 6.091 6.805 1.00 0.00 N ATOM 825 CA ALA A 341 5.157 5.726 5.404 1.00 0.00 C ATOM 826 C ALA A 341 6.532 5.264 4.895 1.00 0.00 C ATOM 827 O ALA A 341 6.639 4.503 3.939 1.00 0.00 O ATOM 828 CB ALA A 341 4.772 7.010 4.717 1.00 0.00 C ATOM 0 H ALA A 341 4.935 7.093 6.929 1.00 0.00 H new ATOM 0 HA ALA A 341 4.526 4.859 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.793 6.865 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.768 7.300 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.477 7.795 4.991 1.00 0.00 H new ATOM 834 N VAL A 342 7.600 5.731 5.529 1.00 0.00 N ATOM 835 CA VAL A 342 8.995 5.394 5.236 1.00 0.00 C ATOM 836 C VAL A 342 9.412 4.146 5.986 1.00 0.00 C ATOM 837 O VAL A 342 10.236 3.368 5.511 1.00 0.00 O ATOM 838 CB VAL A 342 9.908 6.554 5.616 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.220 6.678 7.092 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.239 6.515 4.907 1.00 0.00 C ATOM 0 H VAL A 342 7.516 6.390 6.303 1.00 0.00 H new ATOM 0 HA VAL A 342 9.083 5.205 4.166 1.00 0.00 H new ATOM 0 HB VAL A 342 9.312 7.412 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 342 10.876 7.533 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.294 6.820 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.715 5.770 7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 342 11.843 7.367 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.758 5.590 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.079 6.560 3.830 1.00 0.00 H new ATOM 850 N ALA A 343 8.763 3.895 7.123 1.00 0.00 N ATOM 851 CA ALA A 343 8.777 2.544 7.645 1.00 0.00 C ATOM 852 C ALA A 343 8.046 1.609 6.664 1.00 0.00 C ATOM 853 O ALA A 343 8.564 0.535 6.357 1.00 0.00 O ATOM 854 CB ALA A 343 8.197 2.523 9.054 1.00 0.00 C ATOM 0 H ALA A 343 8.245 4.580 7.674 1.00 0.00 H new ATOM 0 HA ALA A 343 9.799 2.176 7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.212 1.503 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.794 3.164 9.703 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.170 2.887 9.030 1.00 0.00 H new ATOM 860 N ALA A 344 6.946 2.062 6.041 1.00 0.00 N ATOM 861 CA ALA A 344 6.307 1.345 4.934 1.00 0.00 C ATOM 862 C ALA A 344 7.225 1.152 3.701 1.00 0.00 C ATOM 863 O ALA A 344 7.121 0.140 3.018 1.00 0.00 O ATOM 864 CB ALA A 344 4.986 2.039 4.573 1.00 0.00 C ATOM 0 H ALA A 344 6.479 2.933 6.292 1.00 0.00 H new ATOM 0 HA ALA A 344 6.098 0.331 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.509 1.507 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.324 2.035 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.186 3.068 4.273 1.00 0.00 H new ATOM 870 N MET A 345 8.180 2.048 3.435 1.00 0.00 N ATOM 871 CA MET A 345 9.195 1.870 2.371 1.00 0.00 C ATOM 872 C MET A 345 10.155 0.695 2.620 1.00 0.00 C ATOM 873 O MET A 345 10.553 0.004 1.683 1.00 0.00 O ATOM 874 CB MET A 345 10.028 3.153 2.188 1.00 0.00 C ATOM 875 CG MET A 345 9.344 4.358 1.526 1.00 0.00 C ATOM 876 SD MET A 345 8.657 4.104 -0.128 1.00 0.00 S ATOM 877 CE MET A 345 7.121 3.257 0.319 1.00 0.00 C ATOM 0 H MET A 345 8.278 2.924 3.949 1.00 0.00 H new ATOM 0 HA MET A 345 8.626 1.646 1.468 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.382 3.466 3.170 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.908 2.900 1.597 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.539 4.692 2.180 1.00 0.00 H new ATOM 0 HG3 MET A 345 10.068 5.171 1.471 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.325 3.565 -0.359 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.265 2.179 0.244 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.847 3.516 1.342 1.00 0.00 H new ATOM 887 N SER A 346 10.502 0.449 3.883 1.00 0.00 N ATOM 888 CA SER A 346 11.673 -0.316 4.361 1.00 0.00 C ATOM 889 C SER A 346 11.660 -1.858 4.143 1.00 0.00 C ATOM 890 O SER A 346 12.357 -2.609 4.827 1.00 0.00 O ATOM 891 CB SER A 346 11.826 0.099 5.828 1.00 0.00 C ATOM 892 OG SER A 346 13.099 -0.223 6.365 1.00 0.00 O ATOM 0 H SER A 346 9.940 0.799 4.659 1.00 0.00 H new ATOM 0 HA SER A 346 12.540 -0.066 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 346 11.662 1.173 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.053 -0.390 6.421 1.00 0.00 H new ATOM 0 HG SER A 346 13.357 -1.124 6.078 1.00 0.00 H new ATOM 898 N LYS A 347 10.839 -2.340 3.201 1.00 0.00 N ATOM 899 CA LYS A 347 10.712 -3.734 2.686 1.00 0.00 C ATOM 900 C LYS A 347 10.623 -3.852 1.160 1.00 0.00 C ATOM 901 O LYS A 347 10.955 -4.903 0.622 1.00 0.00 O ATOM 902 CB LYS A 347 9.543 -4.510 3.324 1.00 0.00 C ATOM 903 CG LYS A 347 8.157 -4.131 2.785 1.00 0.00 C ATOM 904 CD LYS A 347 7.760 -2.700 3.086 1.00 0.00 C ATOM 905 CE LYS A 347 7.463 -2.512 4.571 1.00 0.00 C ATOM 906 NZ LYS A 347 8.561 -2.029 5.431 1.00 0.00 N ATOM 0 H LYS A 347 10.182 -1.718 2.729 1.00 0.00 H new ATOM 0 HA LYS A 347 11.654 -4.190 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.702 -5.577 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 347 9.558 -4.343 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.142 -4.284 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.413 -4.803 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.562 -2.026 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.881 -2.432 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.632 -1.812 4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.120 -3.467 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 8.386 -2.321 6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 9.461 -2.434 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 8.610 -0.991 5.381 1.00 0.00 H new ATOM 920 N ASP A 348 10.094 -2.808 0.520 1.00 0.00 N ATOM 921 CA ASP A 348 9.506 -2.654 -0.815 1.00 0.00 C ATOM 922 C ASP A 348 8.907 -3.836 -1.616 1.00 0.00 C ATOM 923 O ASP A 348 8.276 -3.535 -2.621 1.00 0.00 O ATOM 924 CB ASP A 348 10.431 -1.771 -1.672 1.00 0.00 C ATOM 925 CG ASP A 348 11.598 -2.529 -2.331 1.00 0.00 C ATOM 926 OD1 ASP A 348 12.481 -3.082 -1.636 1.00 0.00 O ATOM 927 OD2 ASP A 348 11.644 -2.600 -3.579 1.00 0.00 O ATOM 0 H ASP A 348 10.064 -1.910 1.004 1.00 0.00 H new ATOM 0 HA ASP A 348 8.550 -2.196 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.838 -1.293 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.837 -0.976 -1.047 1.00 0.00 H new ATOM 932 N ARG A 349 8.987 -5.120 -1.221 1.00 0.00 N ATOM 933 CA ARG A 349 8.296 -6.244 -1.887 1.00 0.00 C ATOM 934 C ARG A 349 6.791 -6.027 -1.708 1.00 0.00 C ATOM 935 O ARG A 349 6.127 -5.491 -2.588 1.00 0.00 O ATOM 936 CB ARG A 349 8.814 -7.624 -1.405 1.00 0.00 C ATOM 937 CG ARG A 349 10.289 -7.900 -1.622 1.00 0.00 C ATOM 938 CD ARG A 349 10.645 -8.067 -3.101 1.00 0.00 C ATOM 939 NE ARG A 349 11.987 -7.485 -3.331 1.00 0.00 N ATOM 940 CZ ARG A 349 12.209 -6.180 -3.346 1.00 0.00 C ATOM 941 NH1 ARG A 349 11.340 -5.345 -3.820 1.00 0.00 N ATOM 942 NH2 ARG A 349 13.281 -5.655 -2.836 1.00 0.00 N ATOM 0 H ARG A 349 9.542 -5.412 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 349 8.516 -6.259 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 349 8.602 -7.716 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 349 8.242 -8.401 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 349 10.874 -7.082 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 349 10.569 -8.803 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 349 10.638 -9.122 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 349 9.904 -7.570 -3.727 1.00 0.00 H new ATOM 0 HE ARG A 349 12.773 -8.116 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 349 10.456 -5.688 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 349 11.540 -4.345 -3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 349 13.986 -6.253 -2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 349 13.418 -4.645 -2.866 1.00 0.00 H new ATOM 956 N ALA A 350 6.206 -6.228 -0.542 1.00 0.00 N ATOM 957 CA ALA A 350 6.232 -7.450 0.289 1.00 0.00 C ATOM 958 C ALA A 350 4.827 -8.025 0.527 1.00 0.00 C ATOM 959 O ALA A 350 4.545 -8.718 1.504 1.00 0.00 O ATOM 960 CB ALA A 350 7.021 -7.185 1.578 1.00 0.00 C ATOM 0 H ALA A 350 5.653 -5.492 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 350 6.757 -8.236 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 350 7.037 -8.089 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.042 -6.898 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.545 -6.379 2.137 1.00 0.00 H new ATOM 966 N ASN A 351 3.950 -7.701 -0.414 1.00 0.00 N ATOM 967 CA ASN A 351 2.515 -7.868 -0.354 1.00 0.00 C ATOM 968 C ASN A 351 2.026 -9.216 -0.864 1.00 0.00 C ATOM 969 O ASN A 351 1.153 -9.852 -0.274 1.00 0.00 O ATOM 970 CB ASN A 351 1.997 -6.788 -1.306 1.00 0.00 C ATOM 971 CG ASN A 351 0.487 -6.660 -1.256 1.00 0.00 C ATOM 972 OD1 ASN A 351 -0.177 -7.010 -0.294 1.00 0.00 O ATOM 973 ND2 ASN A 351 -0.121 -6.197 -2.313 1.00 0.00 N ATOM 0 H ASN A 351 4.249 -7.287 -1.297 1.00 0.00 H new ATOM 0 HA ASN A 351 2.171 -7.801 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.450 -5.831 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.307 -7.024 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -1.139 -6.131 -2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 351 0.421 -5.901 -3.124 1.00 0.00 H new ATOM 980 N MET A 352 2.562 -9.602 -2.018 1.00 0.00 N ATOM 981 CA MET A 352 1.941 -10.592 -2.892 1.00 0.00 C ATOM 982 C MET A 352 2.805 -11.841 -2.908 1.00 0.00 C ATOM 983 O MET A 352 3.688 -12.010 -3.737 1.00 0.00 O ATOM 984 CB MET A 352 1.496 -9.995 -4.242 1.00 0.00 C ATOM 985 CG MET A 352 2.478 -9.284 -5.181 1.00 0.00 C ATOM 986 SD MET A 352 3.427 -10.297 -6.352 1.00 0.00 S ATOM 987 CE MET A 352 2.121 -10.754 -7.527 1.00 0.00 C ATOM 0 H MET A 352 3.444 -9.235 -2.375 1.00 0.00 H new ATOM 0 HA MET A 352 0.979 -10.923 -2.501 1.00 0.00 H new ATOM 0 HB2 MET A 352 1.049 -10.809 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.700 -9.284 -4.023 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.916 -8.548 -5.756 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.188 -8.733 -4.565 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.562 -11.274 -8.377 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.401 -11.408 -7.035 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.614 -9.854 -7.876 1.00 0.00 H new ATOM 997 N GLN A 353 2.585 -12.692 -1.903 1.00 0.00 N ATOM 998 CA GLN A 353 3.346 -13.927 -1.680 1.00 0.00 C ATOM 999 C GLN A 353 4.837 -13.636 -1.346 1.00 0.00 C ATOM 1000 O GLN A 353 5.747 -14.326 -1.810 1.00 0.00 O ATOM 1001 CB GLN A 353 3.102 -14.927 -2.843 1.00 0.00 C ATOM 1002 CG GLN A 353 1.724 -14.862 -3.558 1.00 0.00 C ATOM 1003 CD GLN A 353 0.498 -14.873 -2.635 1.00 0.00 C ATOM 1004 OE1 GLN A 353 0.483 -15.474 -1.568 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -0.579 -14.195 -2.997 1.00 0.00 N ATOM 0 H GLN A 353 1.857 -12.540 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 353 2.977 -14.429 -0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 353 3.879 -14.771 -3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 353 3.233 -15.937 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 353 1.692 -13.957 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 353 1.649 -15.707 -4.242 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -0.589 -13.687 -3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -1.400 -14.180 -2.392 1.00 0.00 H new ATOM 1014 N HIS A 354 5.083 -12.573 -0.558 1.00 0.00 N ATOM 1015 CA HIS A 354 6.399 -11.963 -0.262 1.00 0.00 C ATOM 1016 C HIS A 354 7.225 -11.609 -1.523 1.00 0.00 C ATOM 1017 O HIS A 354 8.432 -11.832 -1.598 1.00 0.00 O ATOM 1018 CB HIS A 354 7.158 -12.781 0.802 1.00 0.00 C ATOM 1019 CG HIS A 354 8.375 -12.099 1.400 1.00 0.00 C ATOM 1020 ND1 HIS A 354 9.400 -12.730 2.073 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.685 -10.762 1.380 1.00 0.00 C ATOM 1022 CE1 HIS A 354 10.302 -11.805 2.443 1.00 0.00 C ATOM 1023 NE2 HIS A 354 9.909 -10.583 2.039 1.00 0.00 N ATOM 0 H HIS A 354 4.325 -12.085 -0.081 1.00 0.00 H new ATOM 0 HA HIS A 354 6.212 -10.985 0.182 1.00 0.00 H new ATOM 0 HB2 HIS A 354 6.467 -13.027 1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 354 7.474 -13.724 0.355 1.00 0.00 H new ATOM 0 HD2 HIS A 354 8.088 -9.981 0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.212 -12.013 2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 354 10.403 -9.702 2.183 1.00 0.00 H new ATOM 1031 N ARG A 355 6.544 -11.001 -2.498 1.00 0.00 N ATOM 1032 CA ARG A 355 6.949 -10.452 -3.806 1.00 0.00 C ATOM 1033 C ARG A 355 6.120 -9.159 -3.971 1.00 0.00 C ATOM 1034 O ARG A 355 5.652 -8.605 -2.970 1.00 0.00 O ATOM 1035 CB ARG A 355 6.729 -11.438 -4.986 1.00 0.00 C ATOM 1036 CG ARG A 355 7.413 -12.817 -4.969 1.00 0.00 C ATOM 1037 CD ARG A 355 8.934 -12.797 -5.200 1.00 0.00 C ATOM 1038 NE ARG A 355 9.638 -12.428 -3.968 1.00 0.00 N ATOM 1039 CZ ARG A 355 10.911 -12.544 -3.656 1.00 0.00 C ATOM 1040 NH1 ARG A 355 11.817 -12.922 -4.510 1.00 0.00 N ATOM 1041 NH2 ARG A 355 11.273 -12.271 -2.436 1.00 0.00 N ATOM 0 H ARG A 355 5.542 -10.859 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 355 8.022 -10.261 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.656 -11.609 -5.071 1.00 0.00 H new ATOM 0 HB3 ARG A 355 7.044 -10.930 -5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 355 7.214 -13.292 -4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 355 6.954 -13.442 -5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 355 9.269 -13.778 -5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 355 9.178 -12.088 -5.991 1.00 0.00 H new ATOM 0 HE ARG A 355 9.051 -12.019 -3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 355 11.552 -13.144 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 355 12.792 -12.997 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 355 10.577 -11.976 -1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 355 12.253 -12.352 -2.165 1.00 0.00 H new ATOM 1055 N TYR A 356 6.003 -8.600 -5.170 1.00 0.00 N ATOM 1056 CA TYR A 356 6.461 -7.233 -5.355 1.00 0.00 C ATOM 1057 C TYR A 356 5.463 -6.295 -6.035 1.00 0.00 C ATOM 1058 O TYR A 356 4.856 -6.597 -7.063 1.00 0.00 O ATOM 1059 CB TYR A 356 7.799 -7.301 -6.109 1.00 0.00 C ATOM 1060 CG TYR A 356 8.636 -6.040 -6.255 1.00 0.00 C ATOM 1061 CD1 TYR A 356 8.513 -4.938 -5.379 1.00 0.00 C ATOM 1062 CD2 TYR A 356 9.614 -6.010 -7.272 1.00 0.00 C ATOM 1063 CE1 TYR A 356 9.351 -3.818 -5.542 1.00 0.00 C ATOM 1064 CE2 TYR A 356 10.466 -4.901 -7.417 1.00 0.00 C ATOM 1065 CZ TYR A 356 10.343 -3.802 -6.546 1.00 0.00 C ATOM 1066 OH TYR A 356 11.210 -2.758 -6.650 1.00 0.00 O ATOM 0 H TYR A 356 5.611 -9.052 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 356 6.580 -6.781 -4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.417 -8.049 -5.612 1.00 0.00 H new ATOM 0 HB3 TYR A 356 7.591 -7.674 -7.112 1.00 0.00 H new ATOM 0 HD1 TYR A 356 7.779 -4.955 -4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 356 9.709 -6.848 -7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 356 9.234 -2.963 -4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 356 11.214 -4.892 -8.196 1.00 0.00 H new ATOM 0 HH TYR A 356 11.491 -2.476 -5.755 1.00 0.00 H new ATOM 1076 N ILE A 357 5.361 -5.125 -5.412 1.00 0.00 N ATOM 1077 CA ILE A 357 4.473 -4.002 -5.670 1.00 0.00 C ATOM 1078 C ILE A 357 5.326 -2.739 -5.742 1.00 0.00 C ATOM 1079 O ILE A 357 6.348 -2.617 -5.067 1.00 0.00 O ATOM 1080 CB ILE A 357 3.505 -3.900 -4.475 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.676 -5.190 -4.305 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.597 -2.656 -4.488 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.841 -5.577 -5.522 1.00 0.00 C ATOM 0 H ILE A 357 5.972 -4.920 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 357 3.917 -4.127 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 357 4.150 -3.778 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.352 -6.012 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.012 -5.069 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 357 1.950 -2.668 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.212 -1.756 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 357 1.985 -2.662 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.293 -6.495 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.136 -4.777 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.497 -5.735 -6.378 1.00 0.00 H new ATOM 1095 N GLU A 358 4.875 -1.763 -6.514 1.00 0.00 N ATOM 1096 CA GLU A 358 5.464 -0.427 -6.513 1.00 0.00 C ATOM 1097 C GLU A 358 5.114 0.323 -5.229 1.00 0.00 C ATOM 1098 O GLU A 358 4.187 1.132 -5.223 1.00 0.00 O ATOM 1099 CB GLU A 358 5.055 0.372 -7.774 1.00 0.00 C ATOM 1100 CG GLU A 358 5.227 -0.365 -9.112 1.00 0.00 C ATOM 1101 CD GLU A 358 4.998 0.545 -10.340 1.00 0.00 C ATOM 1102 OE1 GLU A 358 4.544 1.707 -10.211 1.00 0.00 O ATOM 1103 OE2 GLU A 358 5.214 0.091 -11.488 1.00 0.00 O ATOM 0 H GLU A 358 4.092 -1.871 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 358 6.548 -0.538 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 358 4.010 0.666 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.642 1.290 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 358 6.231 -0.786 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.529 -1.201 -9.152 1.00 0.00 H new ATOM 1110 N LEU A 359 5.845 0.054 -4.141 1.00 0.00 N ATOM 1111 CA LEU A 359 5.768 0.807 -2.906 1.00 0.00 C ATOM 1112 C LEU A 359 6.597 2.101 -2.948 1.00 0.00 C ATOM 1113 O LEU A 359 7.829 2.040 -2.916 1.00 0.00 O ATOM 1114 CB LEU A 359 6.301 -0.104 -1.794 1.00 0.00 C ATOM 1115 CG LEU A 359 5.394 -1.233 -1.269 1.00 0.00 C ATOM 1116 CD1 LEU A 359 6.044 -1.702 0.031 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.958 -0.733 -1.186 1.00 0.00 C ATOM 0 H LEU A 359 6.518 -0.712 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 359 4.734 1.107 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 359 7.223 -0.560 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.567 0.528 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 359 5.312 -2.103 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.452 -2.508 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.052 -2.063 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 359 6.093 -0.870 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 359 3.316 -1.531 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.908 0.118 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.621 -0.428 -2.177 1.00 0.00 H new ATOM 1129 N PHE A 360 5.929 3.262 -2.978 1.00 0.00 N ATOM 1130 CA PHE A 360 6.594 4.569 -3.104 1.00 0.00 C ATOM 1131 C PHE A 360 5.898 5.713 -2.358 1.00 0.00 C ATOM 1132 O PHE A 360 4.700 5.962 -2.515 1.00 0.00 O ATOM 1133 CB PHE A 360 6.714 4.931 -4.588 1.00 0.00 C ATOM 1134 CG PHE A 360 7.728 4.079 -5.318 1.00 0.00 C ATOM 1135 CD1 PHE A 360 9.086 4.443 -5.324 1.00 0.00 C ATOM 1136 CD2 PHE A 360 7.325 2.857 -5.886 1.00 0.00 C ATOM 1137 CE1 PHE A 360 10.041 3.582 -5.889 1.00 0.00 C ATOM 1138 CE2 PHE A 360 8.283 1.994 -6.447 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.641 2.357 -6.455 1.00 0.00 C ATOM 0 H PHE A 360 4.913 3.323 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 360 7.572 4.457 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.740 4.818 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 360 6.994 5.980 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.395 5.384 -4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.281 2.582 -5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.084 3.860 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 360 7.975 1.050 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.375 1.698 -6.894 1.00 0.00 H new ATOM 1149 N LEU A 361 6.695 6.465 -1.590 1.00 0.00 N ATOM 1150 CA LEU A 361 6.310 7.761 -1.025 1.00 0.00 C ATOM 1151 C LEU A 361 5.975 8.777 -2.114 1.00 0.00 C ATOM 1152 O LEU A 361 6.475 8.724 -3.240 1.00 0.00 O ATOM 1153 CB LEU A 361 7.465 8.353 -0.193 1.00 0.00 C ATOM 1154 CG LEU A 361 7.754 7.602 1.099 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.189 7.784 1.599 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.847 8.116 2.192 1.00 0.00 C ATOM 0 H LEU A 361 7.643 6.183 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 361 5.432 7.578 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.368 8.364 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.230 9.390 0.048 1.00 0.00 H new ATOM 0 HG LEU A 361 7.591 6.548 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.326 7.222 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.886 7.418 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.378 8.841 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.053 7.579 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.026 9.181 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.807 7.960 1.905 1.00 0.00 H new ATOM 1168 N ASN A 362 5.165 9.749 -1.711 1.00 0.00 N ATOM 1169 CA ASN A 362 4.733 10.858 -2.550 1.00 0.00 C ATOM 1170 C ASN A 362 4.441 12.137 -1.737 1.00 0.00 C ATOM 1171 O ASN A 362 3.849 13.084 -2.261 1.00 0.00 O ATOM 1172 CB ASN A 362 3.547 10.329 -3.367 1.00 0.00 C ATOM 1173 CG ASN A 362 2.324 9.945 -2.545 1.00 0.00 C ATOM 1174 OD1 ASN A 362 1.673 10.771 -1.927 1.00 0.00 O ATOM 1175 ND2 ASN A 362 1.979 8.676 -2.547 1.00 0.00 N ATOM 0 H ASN A 362 4.781 9.788 -0.767 1.00 0.00 H new ATOM 0 HA ASN A 362 5.522 11.187 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.256 11.089 -4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 362 3.875 9.457 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.157 8.370 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.534 7.997 -3.069 1.00 0.00 H new ATOM 1182 N SER A 363 4.839 12.154 -0.456 1.00 0.00 N ATOM 1183 CA SER A 363 4.287 13.086 0.550 1.00 0.00 C ATOM 1184 C SER A 363 5.312 13.644 1.558 1.00 0.00 C ATOM 1185 O SER A 363 6.503 13.336 1.500 1.00 0.00 O ATOM 1186 CB SER A 363 3.156 12.343 1.273 1.00 0.00 C ATOM 1187 OG SER A 363 1.943 12.476 0.568 1.00 0.00 O ATOM 0 H SER A 363 5.551 11.525 -0.085 1.00 0.00 H new ATOM 0 HA SER A 363 3.932 13.974 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.412 11.288 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.041 12.738 2.282 1.00 0.00 H new ATOM 0 HG SER A 363 1.948 11.878 -0.208 1.00 0.00 H new ATOM 1193 N THR A 364 4.827 14.455 2.513 1.00 0.00 N ATOM 1194 CA THR A 364 5.593 15.157 3.572 1.00 0.00 C ATOM 1195 C THR A 364 5.084 14.752 4.965 1.00 0.00 C ATOM 1196 O THR A 364 3.930 14.342 5.102 1.00 0.00 O ATOM 1197 CB THR A 364 5.419 16.683 3.408 1.00 0.00 C ATOM 1198 OG1 THR A 364 5.736 17.078 2.086 1.00 0.00 O ATOM 1199 CG2 THR A 364 6.319 17.524 4.316 1.00 0.00 C ATOM 0 H THR A 364 3.829 14.654 2.575 1.00 0.00 H new ATOM 0 HA THR A 364 6.644 14.882 3.478 1.00 0.00 H new ATOM 0 HB THR A 364 4.377 16.863 3.672 1.00 0.00 H new ATOM 0 HG1 THR A 364 5.619 18.047 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 364 6.131 18.582 4.135 1.00 0.00 H new ATOM 0 HG22 THR A 364 6.104 17.290 5.359 1.00 0.00 H new ATOM 0 HG23 THR A 364 7.364 17.299 4.102 1.00 0.00 H new ATOM 1207 N THR A 365 5.910 14.848 6.016 1.00 0.00 N ATOM 1208 CA THR A 365 5.465 14.678 7.419 1.00 0.00 C ATOM 1209 C THR A 365 4.228 15.532 7.748 1.00 0.00 C ATOM 1210 O THR A 365 4.161 16.729 7.456 1.00 0.00 O ATOM 1211 CB THR A 365 6.626 14.872 8.407 1.00 0.00 C ATOM 1212 OG1 THR A 365 6.191 14.449 9.677 1.00 0.00 O ATOM 1213 CG2 THR A 365 7.171 16.294 8.526 1.00 0.00 C ATOM 0 H THR A 365 6.907 15.045 5.925 1.00 0.00 H new ATOM 0 HA THR A 365 5.138 13.645 7.536 1.00 0.00 H new ATOM 0 HB THR A 365 7.454 14.282 8.013 1.00 0.00 H new ATOM 0 HG1 THR A 365 6.917 14.562 10.326 1.00 0.00 H new ATOM 0 HG21 THR A 365 7.986 16.312 9.250 1.00 0.00 H new ATOM 0 HG22 THR A 365 7.541 16.624 7.555 1.00 0.00 H new ATOM 0 HG23 THR A 365 6.376 16.962 8.858 1.00 0.00 H new