USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 602 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 310 SER OG : rot 180:sc= -0.0786 USER MOD Set 1.2: A 347 LYS NZ :NH3+ -152:sc= 0.42 (180deg=-0.55) USER MOD Set 2.1: A 293 MET CE :methyl -120:sc= -1.29 (180deg=-10.1!) USER MOD Set 2.2: A 351 ASN : amide:sc= -3.81! C(o=-5.1!,f=-13!) USER MOD Set 3.1: A 290 CYS SG : rot 101:sc= 0.15 USER MOD Set 3.2: A 363 SER OG : rot 139:sc= 1.43 USER MOD Single : A 287 THR OG1 : rot 43:sc= 0.308 USER MOD Single : A 289 HIS : no HE2:sc= -9.07! C(o=-9.1!,f=-17!) USER MOD Single : A 292 HIS : no HE2:sc= -0.465 K(o=-0.46,f=-8.4!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ -169:sc= 0.846 (180deg=0.69) USER MOD Single : A 301 THR OG1 : rot 180:sc= 0 USER MOD Single : A 303 ASN : amide:sc= 1.16 K(o=1.2,f=-0.015) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 313 ASN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD Single : A 318 HIS : no HD1:sc= -0.0949 X(o=-0.095,f=-0.19) USER MOD Single : A 328 THR OG1 : rot -31:sc= 0.327 USER MOD Single : A 337 THR OG1 : rot -47:sc= 1.23 USER MOD Single : A 338 HIS : no HE2:sc= 0.427 K(o=0.43,f=-3.2!) USER MOD Single : A 345 MET CE :methyl 163:sc= -2.06! (180deg=-2.95!) USER MOD Single : A 346 SER OG : rot -43:sc= 0.17 USER MOD Single : A 352 MET CE :methyl 178:sc= 0 (180deg=-0.00264) USER MOD Single : A 353 GLN : amide:sc= -0.0321 K(o=-0.032,f=-2) USER MOD Single : A 354 HIS : no HE2:sc= 0.73 K(o=0.73,f=-6.5!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.065) USER MOD Single : A 364 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 287 -2.483 11.271 7.411 1.00 0.00 N ATOM 2 CA THR A 287 -3.285 11.899 6.331 1.00 0.00 C ATOM 3 C THR A 287 -2.488 12.902 5.509 1.00 0.00 C ATOM 4 O THR A 287 -2.592 12.889 4.284 1.00 0.00 O ATOM 5 CB THR A 287 -4.556 12.566 6.861 1.00 0.00 C ATOM 6 OG1 THR A 287 -5.056 11.816 7.939 1.00 0.00 O ATOM 7 CG2 THR A 287 -5.653 12.576 5.798 1.00 0.00 C ATOM 0 HA THR A 287 -3.571 11.075 5.677 1.00 0.00 H new ATOM 0 HB THR A 287 -4.299 13.584 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 287 -4.316 11.552 8.525 1.00 0.00 H new ATOM 0 HG21 THR A 287 -6.545 13.056 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 287 -5.307 13.128 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 287 -5.890 11.552 5.510 1.00 0.00 H new ATOM 15 N GLY A 288 -1.690 13.771 6.146 1.00 0.00 N ATOM 16 CA GLY A 288 -0.716 14.637 5.472 1.00 0.00 C ATOM 17 C GLY A 288 0.273 13.841 4.625 1.00 0.00 C ATOM 18 O GLY A 288 0.519 14.182 3.466 1.00 0.00 O ATOM 0 H GLY A 288 -1.704 13.893 7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 288 -1.243 15.350 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 288 -0.170 15.216 6.217 1.00 0.00 H new ATOM 22 N HIS A 289 0.765 12.725 5.171 1.00 0.00 N ATOM 23 CA HIS A 289 1.390 11.690 4.361 1.00 0.00 C ATOM 24 C HIS A 289 0.371 10.871 3.552 1.00 0.00 C ATOM 25 O HIS A 289 -0.640 10.430 4.111 1.00 0.00 O ATOM 26 CB HIS A 289 2.184 10.705 5.232 1.00 0.00 C ATOM 27 CG HIS A 289 3.356 10.235 4.435 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.512 10.928 4.224 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.400 9.135 3.641 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.278 10.235 3.379 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.616 9.153 2.946 1.00 0.00 N ATOM 0 H HIS A 289 0.740 12.521 6.170 1.00 0.00 H new ATOM 0 HA HIS A 289 2.050 12.221 3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 289 2.516 11.189 6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.558 9.862 5.524 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.751 11.827 4.643 1.00 0.00 H new ATOM 0 HD2 HIS A 289 2.633 8.379 3.559 1.00 0.00 H new ATOM 0 HE1 HIS A 289 6.282 10.506 3.087 1.00 0.00 H new ATOM 39 N CYS A 290 0.726 10.499 2.317 1.00 0.00 N ATOM 40 CA CYS A 290 0.211 9.279 1.689 1.00 0.00 C ATOM 41 C CYS A 290 1.248 8.520 0.847 1.00 0.00 C ATOM 42 O CYS A 290 2.210 9.104 0.337 1.00 0.00 O ATOM 43 CB CYS A 290 -1.039 9.582 0.849 1.00 0.00 C ATOM 44 SG CYS A 290 -0.651 10.419 -0.721 1.00 0.00 S ATOM 0 H CYS A 290 1.371 11.029 1.731 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.052 8.616 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.564 8.650 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.718 10.206 1.430 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.678 9.555 -1.692 1.00 0.00 H new ATOM 50 N VAL A 291 1.025 7.222 0.648 1.00 0.00 N ATOM 51 CA VAL A 291 1.957 6.333 -0.052 1.00 0.00 C ATOM 52 C VAL A 291 1.223 5.681 -1.203 1.00 0.00 C ATOM 53 O VAL A 291 0.146 5.128 -1.002 1.00 0.00 O ATOM 54 CB VAL A 291 2.450 5.220 0.873 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.521 4.372 0.196 1.00 0.00 C ATOM 56 CG2 VAL A 291 3.071 5.827 2.113 1.00 0.00 C ATOM 0 H VAL A 291 0.181 6.750 0.972 1.00 0.00 H new ATOM 0 HA VAL A 291 2.808 6.922 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 291 1.591 4.597 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.851 3.589 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.109 3.917 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.369 5.002 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.422 5.032 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.912 6.459 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.327 6.428 2.635 1.00 0.00 H new ATOM 66 N HIS A 292 1.825 5.715 -2.381 1.00 0.00 N ATOM 67 CA HIS A 292 1.273 5.204 -3.620 1.00 0.00 C ATOM 68 C HIS A 292 1.766 3.772 -3.893 1.00 0.00 C ATOM 69 O HIS A 292 2.875 3.383 -3.515 1.00 0.00 O ATOM 70 CB HIS A 292 1.686 6.198 -4.709 1.00 0.00 C ATOM 71 CG HIS A 292 1.213 5.831 -6.075 1.00 0.00 C ATOM 72 ND1 HIS A 292 -0.010 5.293 -6.396 1.00 0.00 N ATOM 73 CD2 HIS A 292 1.965 5.885 -7.211 1.00 0.00 C ATOM 74 CE1 HIS A 292 0.031 4.963 -7.694 1.00 0.00 C ATOM 75 NE2 HIS A 292 1.199 5.344 -8.245 1.00 0.00 N ATOM 0 H HIS A 292 2.754 6.118 -2.502 1.00 0.00 H new ATOM 0 HA HIS A 292 0.187 5.124 -3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.297 7.184 -4.453 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.773 6.277 -4.721 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.801 5.168 -5.764 1.00 0.00 H new ATOM 0 HD2 HIS A 292 2.969 6.275 -7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.764 4.460 -8.225 1.00 0.00 H new ATOM 83 N MET A 293 0.901 2.968 -4.512 1.00 0.00 N ATOM 84 CA MET A 293 1.064 1.522 -4.652 1.00 0.00 C ATOM 85 C MET A 293 0.532 1.054 -5.992 1.00 0.00 C ATOM 86 O MET A 293 -0.641 1.274 -6.311 1.00 0.00 O ATOM 87 CB MET A 293 0.301 0.772 -3.557 1.00 0.00 C ATOM 88 CG MET A 293 0.667 1.263 -2.165 1.00 0.00 C ATOM 89 SD MET A 293 -0.273 0.470 -0.844 1.00 0.00 S ATOM 90 CE MET A 293 0.324 -1.236 -0.912 1.00 0.00 C ATOM 0 H MET A 293 0.044 3.315 -4.942 1.00 0.00 H new ATOM 0 HA MET A 293 2.130 1.311 -4.571 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.771 0.894 -3.714 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.514 -0.294 -3.632 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.730 1.090 -1.996 1.00 0.00 H new ATOM 0 HG3 MET A 293 0.508 2.340 -2.116 1.00 0.00 H new ATOM 0 HE1 MET A 293 -0.511 -1.906 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 293 1.067 -1.330 -1.704 1.00 0.00 H new ATOM 0 HE3 MET A 293 0.777 -1.501 0.043 1.00 0.00 H new ATOM 100 N ARG A 294 1.379 0.366 -6.761 1.00 0.00 N ATOM 101 CA ARG A 294 0.970 -0.159 -8.073 1.00 0.00 C ATOM 102 C ARG A 294 1.424 -1.592 -8.324 1.00 0.00 C ATOM 103 O ARG A 294 2.549 -1.972 -7.995 1.00 0.00 O ATOM 104 CB ARG A 294 1.477 0.756 -9.186 1.00 0.00 C ATOM 105 CG ARG A 294 1.052 2.218 -9.079 1.00 0.00 C ATOM 106 CD ARG A 294 1.552 2.964 -10.334 1.00 0.00 C ATOM 107 NE ARG A 294 3.029 2.955 -10.455 1.00 0.00 N ATOM 108 CZ ARG A 294 3.864 3.975 -10.371 1.00 0.00 C ATOM 109 NH1 ARG A 294 3.471 5.184 -10.090 1.00 0.00 N ATOM 110 NH2 ARG A 294 5.139 3.795 -10.562 1.00 0.00 N ATOM 0 H ARG A 294 2.344 0.159 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.120 -0.178 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.566 0.712 -9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 294 1.129 0.364 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.033 2.293 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 294 1.469 2.669 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 294 1.116 2.506 -11.222 1.00 0.00 H new ATOM 0 HD3 ARG A 294 1.201 3.995 -10.303 1.00 0.00 H new ATOM 0 HE ARG A 294 3.456 2.044 -10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 294 2.483 5.373 -9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 294 4.152 5.942 -10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 294 5.496 2.864 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 294 5.781 4.585 -10.496 1.00 0.00 H new ATOM 124 N GLY A 295 0.521 -2.374 -8.910 1.00 0.00 N ATOM 125 CA GLY A 295 0.721 -3.778 -9.283 1.00 0.00 C ATOM 126 C GLY A 295 -0.047 -4.747 -8.380 1.00 0.00 C ATOM 127 O GLY A 295 0.190 -5.955 -8.448 1.00 0.00 O ATOM 0 H GLY A 295 -0.411 -2.035 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.405 -3.923 -10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.784 -4.013 -9.239 1.00 0.00 H new ATOM 131 N LEU A 296 -0.907 -4.223 -7.489 1.00 0.00 N ATOM 132 CA LEU A 296 -1.588 -5.013 -6.454 1.00 0.00 C ATOM 133 C LEU A 296 -2.409 -6.188 -7.040 1.00 0.00 C ATOM 134 O LEU A 296 -2.928 -6.088 -8.156 1.00 0.00 O ATOM 135 CB LEU A 296 -2.504 -4.138 -5.582 1.00 0.00 C ATOM 136 CG LEU A 296 -1.939 -2.856 -4.959 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.091 -2.137 -4.259 1.00 0.00 C ATOM 138 CD2 LEU A 296 -0.874 -3.191 -3.920 1.00 0.00 C ATOM 0 H LEU A 296 -1.149 -3.232 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.794 -5.430 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.364 -3.857 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -2.877 -4.761 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.490 -2.236 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -2.723 -1.218 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -3.866 -1.896 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.507 -2.783 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.484 -2.269 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.314 -3.803 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.062 -3.741 -4.396 1.00 0.00 H new ATOM 150 N PRO A 297 -2.574 -7.286 -6.281 1.00 0.00 N ATOM 151 CA PRO A 297 -3.282 -8.480 -6.742 1.00 0.00 C ATOM 152 C PRO A 297 -4.792 -8.240 -6.898 1.00 0.00 C ATOM 153 O PRO A 297 -5.356 -7.296 -6.340 1.00 0.00 O ATOM 154 CB PRO A 297 -2.964 -9.559 -5.697 1.00 0.00 C ATOM 155 CG PRO A 297 -2.689 -8.762 -4.422 1.00 0.00 C ATOM 156 CD PRO A 297 -2.040 -7.489 -4.944 1.00 0.00 C ATOM 0 HA PRO A 297 -2.957 -8.780 -7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.799 -10.248 -5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -2.101 -10.157 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.607 -8.551 -3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -2.029 -9.302 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.270 -6.641 -4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.955 -7.586 -4.968 1.00 0.00 H new ATOM 164 N TYR A 298 -5.478 -9.150 -7.596 1.00 0.00 N ATOM 165 CA TYR A 298 -6.929 -9.075 -7.846 1.00 0.00 C ATOM 166 C TYR A 298 -7.813 -9.188 -6.579 1.00 0.00 C ATOM 167 O TYR A 298 -9.029 -9.033 -6.664 1.00 0.00 O ATOM 168 CB TYR A 298 -7.318 -10.091 -8.934 1.00 0.00 C ATOM 169 CG TYR A 298 -7.927 -11.381 -8.426 1.00 0.00 C ATOM 170 CD1 TYR A 298 -7.113 -12.378 -7.854 1.00 0.00 C ATOM 171 CD2 TYR A 298 -9.325 -11.548 -8.476 1.00 0.00 C ATOM 172 CE1 TYR A 298 -7.700 -13.540 -7.318 1.00 0.00 C ATOM 173 CE2 TYR A 298 -9.915 -12.707 -7.936 1.00 0.00 C ATOM 174 CZ TYR A 298 -9.102 -13.706 -7.352 1.00 0.00 C ATOM 175 OH TYR A 298 -9.661 -14.827 -6.817 1.00 0.00 O ATOM 0 H TYR A 298 -5.039 -9.972 -8.011 1.00 0.00 H new ATOM 0 HA TYR A 298 -7.136 -8.067 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -8.026 -9.617 -9.614 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -6.429 -10.333 -9.517 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -6.041 -12.251 -7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -9.944 -10.787 -8.928 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -7.077 -14.306 -6.880 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -10.987 -12.833 -7.968 1.00 0.00 H new ATOM 0 HH TYR A 298 -10.635 -14.788 -6.920 1.00 0.00 H new ATOM 185 N LYS A 299 -7.217 -9.410 -5.398 1.00 0.00 N ATOM 186 CA LYS A 299 -7.888 -9.385 -4.082 1.00 0.00 C ATOM 187 C LYS A 299 -7.432 -8.236 -3.162 1.00 0.00 C ATOM 188 O LYS A 299 -7.738 -8.261 -1.970 1.00 0.00 O ATOM 189 CB LYS A 299 -7.860 -10.785 -3.430 1.00 0.00 C ATOM 190 CG LYS A 299 -6.523 -11.541 -3.471 1.00 0.00 C ATOM 191 CD LYS A 299 -5.316 -10.836 -2.831 1.00 0.00 C ATOM 192 CE LYS A 299 -5.452 -10.634 -1.317 1.00 0.00 C ATOM 193 NZ LYS A 299 -4.177 -10.171 -0.718 1.00 0.00 N ATOM 0 H LYS A 299 -6.221 -9.619 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 299 -8.936 -9.143 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -8.159 -10.680 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -8.615 -11.402 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -6.659 -12.502 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -6.282 -11.752 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -4.417 -11.419 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -5.179 -9.865 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -6.237 -9.905 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -5.757 -11.570 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -4.242 -10.222 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -3.399 -10.778 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -3.995 -9.188 -1.006 1.00 0.00 H new ATOM 207 N ALA A 300 -6.697 -7.239 -3.675 1.00 0.00 N ATOM 208 CA ALA A 300 -6.255 -6.075 -2.921 1.00 0.00 C ATOM 209 C ALA A 300 -7.411 -5.324 -2.227 1.00 0.00 C ATOM 210 O ALA A 300 -8.239 -4.676 -2.870 1.00 0.00 O ATOM 211 CB ALA A 300 -5.491 -5.167 -3.878 1.00 0.00 C ATOM 0 H ALA A 300 -6.391 -7.227 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.610 -6.405 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.145 -4.283 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.634 -5.704 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -6.147 -4.864 -4.694 1.00 0.00 H new ATOM 217 N THR A 301 -7.426 -5.383 -0.896 1.00 0.00 N ATOM 218 CA THR A 301 -8.270 -4.551 -0.023 1.00 0.00 C ATOM 219 C THR A 301 -7.435 -3.509 0.679 1.00 0.00 C ATOM 220 O THR A 301 -6.220 -3.627 0.745 1.00 0.00 O ATOM 221 CB THR A 301 -8.996 -5.334 1.087 1.00 0.00 C ATOM 222 OG1 THR A 301 -9.004 -6.734 0.890 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.432 -4.854 1.198 1.00 0.00 C ATOM 0 H THR A 301 -6.835 -6.030 -0.374 1.00 0.00 H new ATOM 0 HA THR A 301 -9.012 -4.118 -0.694 1.00 0.00 H new ATOM 0 HB THR A 301 -8.437 -5.141 2.003 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.478 -7.166 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.942 -5.411 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.443 -3.791 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.944 -5.015 0.249 1.00 0.00 H new ATOM 231 N GLU A 302 -8.085 -2.511 1.265 1.00 0.00 N ATOM 232 CA GLU A 302 -7.392 -1.502 2.046 1.00 0.00 C ATOM 233 C GLU A 302 -6.669 -2.109 3.240 1.00 0.00 C ATOM 234 O GLU A 302 -5.470 -1.927 3.404 1.00 0.00 O ATOM 235 CB GLU A 302 -8.349 -0.391 2.467 1.00 0.00 C ATOM 236 CG GLU A 302 -9.805 -0.728 2.779 1.00 0.00 C ATOM 237 CD GLU A 302 -10.054 -1.610 4.010 1.00 0.00 C ATOM 238 OE1 GLU A 302 -10.144 -1.077 5.140 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.144 -2.850 3.838 1.00 0.00 O ATOM 0 H GLU A 302 -9.095 -2.381 1.212 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.626 -1.057 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -7.927 0.084 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.350 0.357 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.351 0.206 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.234 -1.226 1.910 1.00 0.00 H new ATOM 246 N ASN A 303 -7.357 -2.907 4.044 1.00 0.00 N ATOM 247 CA ASN A 303 -6.740 -3.526 5.199 1.00 0.00 C ATOM 248 C ASN A 303 -5.683 -4.547 4.797 1.00 0.00 C ATOM 249 O ASN A 303 -4.630 -4.638 5.421 1.00 0.00 O ATOM 250 CB ASN A 303 -7.831 -4.074 6.114 1.00 0.00 C ATOM 251 CG ASN A 303 -8.413 -5.399 5.650 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.976 -6.472 6.045 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.397 -5.370 4.782 1.00 0.00 N ATOM 0 H ASN A 303 -8.342 -3.138 3.914 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.186 -2.781 5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.422 -4.199 7.117 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.634 -3.340 6.186 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.798 -6.242 4.436 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.761 -4.476 4.453 1.00 0.00 H new ATOM 260 N ASP A 304 -5.927 -5.228 3.682 1.00 0.00 N ATOM 261 CA ASP A 304 -5.009 -6.187 3.092 1.00 0.00 C ATOM 262 C ASP A 304 -3.624 -5.566 2.849 1.00 0.00 C ATOM 263 O ASP A 304 -2.603 -6.074 3.320 1.00 0.00 O ATOM 264 CB ASP A 304 -5.641 -6.727 1.814 1.00 0.00 C ATOM 265 CG ASP A 304 -4.735 -7.726 1.098 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.439 -8.800 1.672 1.00 0.00 O ATOM 267 OD2 ASP A 304 -4.358 -7.469 -0.069 1.00 0.00 O ATOM 0 H ASP A 304 -6.792 -5.123 3.152 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.839 -7.015 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.589 -7.207 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.865 -5.897 1.143 1.00 0.00 H new ATOM 272 N ILE A 305 -3.596 -4.399 2.204 1.00 0.00 N ATOM 273 CA ILE A 305 -2.345 -3.721 1.870 1.00 0.00 C ATOM 274 C ILE A 305 -1.635 -3.168 3.094 1.00 0.00 C ATOM 275 O ILE A 305 -0.435 -3.393 3.256 1.00 0.00 O ATOM 276 CB ILE A 305 -2.580 -2.628 0.822 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.640 -1.596 1.197 1.00 0.00 C ATOM 278 CG2 ILE A 305 -2.957 -3.343 -0.487 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.545 -0.338 0.375 1.00 0.00 C ATOM 0 H ILE A 305 -4.433 -3.901 1.901 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.682 -4.472 1.441 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.664 -2.044 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.629 -2.035 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.538 -1.344 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.135 -2.603 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.143 -4.001 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -3.861 -3.932 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.323 0.359 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.567 0.120 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -3.676 -0.582 -0.679 1.00 0.00 H new ATOM 291 N TYR A 306 -2.342 -2.482 3.994 1.00 0.00 N ATOM 292 CA TYR A 306 -1.630 -1.783 5.052 1.00 0.00 C ATOM 293 C TYR A 306 -1.215 -2.718 6.184 1.00 0.00 C ATOM 294 O TYR A 306 -0.199 -2.493 6.841 1.00 0.00 O ATOM 295 CB TYR A 306 -2.384 -0.571 5.544 1.00 0.00 C ATOM 296 CG TYR A 306 -3.497 -0.821 6.529 1.00 0.00 C ATOM 297 CD1 TYR A 306 -3.174 -1.096 7.871 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.832 -0.651 6.130 1.00 0.00 C ATOM 299 CE1 TYR A 306 -4.201 -1.200 8.829 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.861 -0.731 7.090 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.548 -1.012 8.439 1.00 0.00 C ATOM 302 OH TYR A 306 -6.551 -1.109 9.355 1.00 0.00 O ATOM 0 H TYR A 306 -3.358 -2.399 4.011 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.705 -1.408 4.613 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.669 0.111 6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.804 -0.057 4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -2.143 -1.227 8.165 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.069 -0.460 5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.961 -1.423 9.858 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.888 -0.578 6.795 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.412 -0.950 8.915 1.00 0.00 H new ATOM 312 N ASN A 307 -1.987 -3.786 6.386 1.00 0.00 N ATOM 313 CA ASN A 307 -1.634 -4.815 7.363 1.00 0.00 C ATOM 314 C ASN A 307 -0.542 -5.765 6.850 1.00 0.00 C ATOM 315 O ASN A 307 0.081 -6.443 7.672 1.00 0.00 O ATOM 316 CB ASN A 307 -2.880 -5.548 7.882 1.00 0.00 C ATOM 317 CG ASN A 307 -3.109 -6.932 7.284 1.00 0.00 C ATOM 318 OD1 ASN A 307 -3.150 -7.938 7.980 1.00 0.00 O ATOM 319 ND2 ASN A 307 -3.224 -7.041 5.984 1.00 0.00 N ATOM 0 H ASN A 307 -2.859 -3.961 5.887 1.00 0.00 H new ATOM 0 HA ASN A 307 -1.193 -4.308 8.221 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.801 -5.645 8.965 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.756 -4.932 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -3.347 -7.960 5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.191 -6.207 5.397 1.00 0.00 H new ATOM 326 N PHE A 308 -0.267 -5.793 5.533 1.00 0.00 N ATOM 327 CA PHE A 308 1.024 -6.305 5.096 1.00 0.00 C ATOM 328 C PHE A 308 2.096 -5.259 5.441 1.00 0.00 C ATOM 329 O PHE A 308 3.025 -5.639 6.157 1.00 0.00 O ATOM 330 CB PHE A 308 1.070 -6.731 3.606 1.00 0.00 C ATOM 331 CG PHE A 308 2.230 -6.117 2.874 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.517 -6.544 3.233 1.00 0.00 C ATOM 333 CD2 PHE A 308 2.062 -4.993 2.050 1.00 0.00 C ATOM 334 CE1 PHE A 308 4.632 -5.821 2.813 1.00 0.00 C ATOM 335 CE2 PHE A 308 3.189 -4.298 1.597 1.00 0.00 C ATOM 336 CZ PHE A 308 4.475 -4.713 1.973 1.00 0.00 C ATOM 0 H PHE A 308 -0.894 -5.481 4.792 1.00 0.00 H new ATOM 0 HA PHE A 308 1.220 -7.234 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.137 -7.817 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 308 0.140 -6.440 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.644 -7.432 3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 308 1.072 -4.667 1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 308 5.619 -6.116 3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 308 3.068 -3.438 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.342 -4.178 1.615 1.00 0.00 H new ATOM 346 N PHE A 309 1.958 -4.004 4.938 1.00 0.00 N ATOM 347 CA PHE A 309 3.031 -3.000 4.778 1.00 0.00 C ATOM 348 C PHE A 309 4.041 -3.154 5.913 1.00 0.00 C ATOM 349 O PHE A 309 5.145 -3.646 5.721 1.00 0.00 O ATOM 350 CB PHE A 309 2.439 -1.572 4.799 1.00 0.00 C ATOM 351 CG PHE A 309 2.472 -0.744 3.533 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.690 -0.584 2.851 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.362 0.039 3.157 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.808 0.379 1.839 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.468 0.955 2.102 1.00 0.00 C ATOM 356 CZ PHE A 309 2.690 1.130 1.448 1.00 0.00 C ATOM 0 H PHE A 309 1.054 -3.654 4.620 1.00 0.00 H new ATOM 0 HA PHE A 309 3.526 -3.159 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.398 -1.652 5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.962 -1.010 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.537 -1.204 3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.426 -0.068 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.762 0.543 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.605 1.526 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.774 1.843 0.642 1.00 0.00 H new ATOM 366 N SER A 310 3.606 -2.823 7.124 1.00 0.00 N ATOM 367 CA SER A 310 4.271 -3.131 8.400 1.00 0.00 C ATOM 368 C SER A 310 3.258 -3.028 9.559 1.00 0.00 C ATOM 369 O SER A 310 2.062 -2.875 9.289 1.00 0.00 O ATOM 370 CB SER A 310 5.506 -2.227 8.629 1.00 0.00 C ATOM 371 OG SER A 310 5.892 -1.433 7.515 1.00 0.00 O ATOM 0 H SER A 310 2.737 -2.306 7.257 1.00 0.00 H new ATOM 0 HA SER A 310 4.641 -4.156 8.362 1.00 0.00 H new ATOM 0 HB2 SER A 310 5.301 -1.566 9.472 1.00 0.00 H new ATOM 0 HB3 SER A 310 6.349 -2.857 8.915 1.00 0.00 H new ATOM 0 HG SER A 310 6.677 -0.896 7.752 1.00 0.00 H new ATOM 377 N PRO A 311 3.677 -3.086 10.841 1.00 0.00 N ATOM 378 CA PRO A 311 2.858 -2.765 12.024 1.00 0.00 C ATOM 379 C PRO A 311 2.221 -1.346 12.116 1.00 0.00 C ATOM 380 O PRO A 311 2.063 -0.794 13.208 1.00 0.00 O ATOM 381 CB PRO A 311 3.770 -3.054 13.224 1.00 0.00 C ATOM 382 CG PRO A 311 4.714 -4.133 12.710 1.00 0.00 C ATOM 383 CD PRO A 311 4.938 -3.683 11.272 1.00 0.00 C ATOM 0 HA PRO A 311 1.958 -3.378 11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 311 4.314 -2.163 13.537 1.00 0.00 H new ATOM 0 HB3 PRO A 311 3.200 -3.399 14.086 1.00 0.00 H new ATOM 0 HG2 PRO A 311 5.644 -4.169 13.278 1.00 0.00 H new ATOM 0 HG3 PRO A 311 4.269 -5.127 12.764 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.753 -2.962 11.210 1.00 0.00 H new ATOM 0 HD3 PRO A 311 5.209 -4.526 10.636 1.00 0.00 H new ATOM 391 N LEU A 312 1.910 -0.717 10.982 1.00 0.00 N ATOM 392 CA LEU A 312 1.534 0.691 10.807 1.00 0.00 C ATOM 393 C LEU A 312 0.046 0.989 11.058 1.00 0.00 C ATOM 394 O LEU A 312 -0.786 0.089 11.177 1.00 0.00 O ATOM 395 CB LEU A 312 1.845 1.092 9.362 1.00 0.00 C ATOM 396 CG LEU A 312 3.180 0.628 8.775 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.297 1.265 7.416 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.434 1.017 9.540 1.00 0.00 C ATOM 0 H LEU A 312 1.914 -1.215 10.092 1.00 0.00 H new ATOM 0 HA LEU A 312 2.103 1.255 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 312 1.046 0.709 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.809 2.180 9.299 1.00 0.00 H new ATOM 0 HG LEU A 312 3.146 -0.461 8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.237 0.964 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.465 0.943 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.274 2.350 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.311 0.629 9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.500 2.103 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.392 0.598 10.545 1.00 0.00 H new ATOM 410 N ASN A 313 -0.298 2.278 11.032 1.00 0.00 N ATOM 411 CA ASN A 313 -1.646 2.848 11.104 1.00 0.00 C ATOM 412 C ASN A 313 -1.829 3.968 10.042 1.00 0.00 C ATOM 413 O ASN A 313 -1.616 5.154 10.316 1.00 0.00 O ATOM 414 CB ASN A 313 -1.938 3.368 12.525 1.00 0.00 C ATOM 415 CG ASN A 313 -2.529 2.360 13.502 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.219 2.722 14.446 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.314 1.077 13.325 1.00 0.00 N ATOM 0 H ASN A 313 0.412 3.006 10.954 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.367 2.061 10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.009 3.750 12.948 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.624 4.212 12.447 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.720 0.398 13.969 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.741 0.759 12.543 1.00 0.00 H new ATOM 424 N PRO A 314 -2.243 3.616 8.811 1.00 0.00 N ATOM 425 CA PRO A 314 -2.940 4.499 7.897 1.00 0.00 C ATOM 426 C PRO A 314 -4.269 4.859 8.524 1.00 0.00 C ATOM 427 O PRO A 314 -5.212 4.070 8.617 1.00 0.00 O ATOM 428 CB PRO A 314 -3.111 3.785 6.568 1.00 0.00 C ATOM 429 CG PRO A 314 -2.755 2.348 6.867 1.00 0.00 C ATOM 430 CD PRO A 314 -2.448 2.272 8.367 1.00 0.00 C ATOM 0 HA PRO A 314 -2.383 5.418 7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.132 3.873 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -2.458 4.206 5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.579 1.683 6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -1.893 2.033 6.279 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.272 1.807 8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.562 1.664 8.551 1.00 0.00 H new ATOM 438 N VAL A 315 -4.301 6.099 8.968 1.00 0.00 N ATOM 439 CA VAL A 315 -5.489 6.773 9.485 1.00 0.00 C ATOM 440 C VAL A 315 -6.543 6.997 8.396 1.00 0.00 C ATOM 441 O VAL A 315 -7.687 7.346 8.697 1.00 0.00 O ATOM 442 CB VAL A 315 -5.053 8.065 10.183 1.00 0.00 C ATOM 443 CG1 VAL A 315 -4.128 7.664 11.336 1.00 0.00 C ATOM 444 CG2 VAL A 315 -4.289 9.029 9.267 1.00 0.00 C ATOM 0 H VAL A 315 -3.472 6.693 8.982 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.983 6.137 10.219 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.951 8.588 10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.793 8.558 11.862 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.668 7.017 12.028 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -3.264 7.131 10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -4.012 9.921 9.828 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.389 8.540 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.923 9.311 8.426 1.00 0.00 H new ATOM 454 N ARG A 316 -6.170 6.723 7.136 1.00 0.00 N ATOM 455 CA ARG A 316 -7.046 6.607 5.971 1.00 0.00 C ATOM 456 C ARG A 316 -6.442 5.641 4.930 1.00 0.00 C ATOM 457 O ARG A 316 -5.223 5.514 4.855 1.00 0.00 O ATOM 458 CB ARG A 316 -7.229 8.041 5.434 1.00 0.00 C ATOM 459 CG ARG A 316 -7.806 8.142 4.008 1.00 0.00 C ATOM 460 CD ARG A 316 -8.048 9.595 3.575 1.00 0.00 C ATOM 461 NE ARG A 316 -7.691 9.793 2.156 1.00 0.00 N ATOM 462 CZ ARG A 316 -8.458 9.864 1.089 1.00 0.00 C ATOM 463 NH1 ARG A 316 -9.759 9.859 1.137 1.00 0.00 N ATOM 464 NH2 ARG A 316 -7.871 9.939 -0.068 1.00 0.00 N ATOM 0 H ARG A 316 -5.191 6.568 6.895 1.00 0.00 H new ATOM 0 HA ARG A 316 -8.017 6.180 6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -7.886 8.585 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.263 8.545 5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -7.120 7.667 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.745 7.590 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.095 9.854 3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.458 10.267 4.199 1.00 0.00 H new ATOM 0 HE ARG A 316 -6.692 9.890 1.974 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -10.236 9.798 2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.301 9.916 0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -6.853 9.941 -0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -8.429 9.996 -0.920 1.00 0.00 H new ATOM 478 N VAL A 317 -7.253 5.025 4.065 1.00 0.00 N ATOM 479 CA VAL A 317 -6.786 4.292 2.861 1.00 0.00 C ATOM 480 C VAL A 317 -7.656 4.654 1.655 1.00 0.00 C ATOM 481 O VAL A 317 -8.822 5.030 1.798 1.00 0.00 O ATOM 482 CB VAL A 317 -6.768 2.751 3.043 1.00 0.00 C ATOM 483 CG1 VAL A 317 -5.889 2.031 1.999 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.264 2.265 4.398 1.00 0.00 C ATOM 0 H VAL A 317 -8.267 5.015 4.173 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.755 4.603 2.695 1.00 0.00 H new ATOM 0 HB VAL A 317 -7.824 2.504 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -5.917 0.956 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.266 2.242 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.862 2.386 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.290 1.176 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.241 2.608 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -6.901 2.664 5.188 1.00 0.00 H new ATOM 494 N HIS A 318 -7.083 4.523 0.464 1.00 0.00 N ATOM 495 CA HIS A 318 -7.656 4.880 -0.828 1.00 0.00 C ATOM 496 C HIS A 318 -7.302 3.789 -1.848 1.00 0.00 C ATOM 497 O HIS A 318 -6.401 3.910 -2.677 1.00 0.00 O ATOM 498 CB HIS A 318 -7.144 6.275 -1.200 1.00 0.00 C ATOM 499 CG HIS A 318 -7.491 6.752 -2.588 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.696 7.257 -3.021 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.632 6.788 -3.653 1.00 0.00 C ATOM 502 CE1 HIS A 318 -8.563 7.600 -4.316 1.00 0.00 C ATOM 503 NE2 HIS A 318 -7.313 7.342 -4.745 1.00 0.00 N ATOM 0 H HIS A 318 -6.143 4.139 0.369 1.00 0.00 H new ATOM 0 HA HIS A 318 -8.745 4.931 -0.804 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -7.541 6.991 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -6.059 6.284 -1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.607 6.448 -3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -9.348 8.023 -4.925 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -6.937 7.515 -5.677 1.00 0.00 H new ATOM 511 N ILE A 319 -7.996 2.661 -1.708 1.00 0.00 N ATOM 512 CA ILE A 319 -7.764 1.361 -2.360 1.00 0.00 C ATOM 513 C ILE A 319 -8.182 1.298 -3.848 1.00 0.00 C ATOM 514 O ILE A 319 -8.802 0.369 -4.364 1.00 0.00 O ATOM 515 CB ILE A 319 -8.424 0.308 -1.468 1.00 0.00 C ATOM 516 CG1 ILE A 319 -7.996 -1.110 -1.838 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.960 0.413 -1.404 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.487 -1.388 -1.888 1.00 0.00 C ATOM 0 H ILE A 319 -8.803 2.623 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.694 1.170 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 319 -8.059 0.529 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.444 -1.798 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.418 -1.348 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.351 -0.368 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.242 1.390 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.375 0.292 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.318 -2.429 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.022 -0.738 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.049 -1.195 -0.909 1.00 0.00 H new ATOM 530 N GLU A 320 -7.888 2.384 -4.531 1.00 0.00 N ATOM 531 CA GLU A 320 -8.347 2.714 -5.880 1.00 0.00 C ATOM 532 C GLU A 320 -7.818 1.734 -6.944 1.00 0.00 C ATOM 533 O GLU A 320 -6.646 1.347 -6.946 1.00 0.00 O ATOM 534 CB GLU A 320 -7.981 4.172 -6.199 1.00 0.00 C ATOM 535 CG GLU A 320 -8.848 4.798 -7.304 1.00 0.00 C ATOM 536 CD GLU A 320 -10.315 4.988 -6.860 1.00 0.00 C ATOM 537 OE1 GLU A 320 -11.121 4.037 -7.007 1.00 0.00 O ATOM 538 OE2 GLU A 320 -10.676 6.089 -6.375 1.00 0.00 O ATOM 0 H GLU A 320 -7.286 3.110 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.432 2.609 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.077 4.769 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -6.935 4.217 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -8.429 5.763 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -8.818 4.164 -8.190 1.00 0.00 H new ATOM 545 N ILE A 321 -8.715 1.305 -7.834 1.00 0.00 N ATOM 546 CA ILE A 321 -8.516 0.194 -8.775 1.00 0.00 C ATOM 547 C ILE A 321 -9.484 0.294 -9.968 1.00 0.00 C ATOM 548 O ILE A 321 -10.286 1.226 -10.047 1.00 0.00 O ATOM 549 CB ILE A 321 -8.614 -1.147 -7.978 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.215 -1.792 -7.896 1.00 0.00 C ATOM 551 CG2 ILE A 321 -9.650 -2.166 -8.472 1.00 0.00 C ATOM 552 CD1 ILE A 321 -7.197 -3.261 -7.452 1.00 0.00 C ATOM 0 H ILE A 321 -9.635 1.736 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 321 -7.524 0.238 -9.225 1.00 0.00 H new ATOM 0 HB ILE A 321 -8.986 -0.864 -6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -6.741 -1.719 -8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -6.605 -1.212 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -9.620 -3.052 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -10.645 -1.723 -8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -9.422 -2.448 -9.500 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -6.168 -3.621 -7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -7.636 -3.346 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -7.774 -3.861 -8.156 1.00 0.00 H new ATOM 564 N GLY A 322 -9.406 -0.693 -10.868 1.00 0.00 N ATOM 565 CA GLY A 322 -10.324 -0.985 -11.966 1.00 0.00 C ATOM 566 C GLY A 322 -11.804 -0.627 -11.713 1.00 0.00 C ATOM 567 O GLY A 322 -12.240 0.477 -12.057 1.00 0.00 O ATOM 0 H GLY A 322 -8.635 -1.360 -10.842 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -9.985 -0.447 -12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -10.260 -2.049 -12.195 1.00 0.00 H new ATOM 571 N PRO A 323 -12.585 -1.545 -11.107 1.00 0.00 N ATOM 572 CA PRO A 323 -13.886 -1.254 -10.517 1.00 0.00 C ATOM 573 C PRO A 323 -13.760 -0.689 -9.093 1.00 0.00 C ATOM 574 O PRO A 323 -14.033 0.485 -8.842 1.00 0.00 O ATOM 575 CB PRO A 323 -14.620 -2.604 -10.474 1.00 0.00 C ATOM 576 CG PRO A 323 -13.515 -3.671 -10.493 1.00 0.00 C ATOM 577 CD PRO A 323 -12.308 -2.969 -11.097 1.00 0.00 C ATOM 0 HA PRO A 323 -14.414 -0.500 -11.101 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -15.233 -2.689 -9.577 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -15.288 -2.715 -11.328 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -13.299 -4.035 -9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -13.809 -4.535 -11.089 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.412 -3.180 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -12.123 -3.330 -12.109 1.00 0.00 H new ATOM 585 N ASP A 324 -13.425 -1.575 -8.149 1.00 0.00 N ATOM 586 CA ASP A 324 -13.925 -1.517 -6.771 1.00 0.00 C ATOM 587 C ASP A 324 -13.124 -2.434 -5.802 1.00 0.00 C ATOM 588 O ASP A 324 -13.568 -2.709 -4.686 1.00 0.00 O ATOM 589 CB ASP A 324 -15.448 -1.823 -6.814 1.00 0.00 C ATOM 590 CG ASP A 324 -15.841 -3.308 -6.793 1.00 0.00 C ATOM 591 OD1 ASP A 324 -15.298 -4.093 -7.597 1.00 0.00 O ATOM 592 OD2 ASP A 324 -16.705 -3.710 -5.976 1.00 0.00 O ATOM 0 H ASP A 324 -12.795 -2.358 -8.321 1.00 0.00 H new ATOM 0 HA ASP A 324 -13.775 -0.521 -6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.921 -1.331 -5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -15.863 -1.371 -7.715 1.00 0.00 H new ATOM 597 N GLY A 325 -11.949 -2.917 -6.241 1.00 0.00 N ATOM 598 CA GLY A 325 -10.969 -3.701 -5.455 1.00 0.00 C ATOM 599 C GLY A 325 -10.391 -4.973 -6.098 1.00 0.00 C ATOM 600 O GLY A 325 -9.854 -5.803 -5.363 1.00 0.00 O ATOM 0 H GLY A 325 -11.638 -2.766 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -10.136 -3.043 -5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -11.443 -3.986 -4.516 1.00 0.00 H new ATOM 604 N ARG A 326 -10.578 -5.221 -7.410 1.00 0.00 N ATOM 605 CA ARG A 326 -10.677 -6.606 -7.925 1.00 0.00 C ATOM 606 C ARG A 326 -9.672 -6.963 -9.038 1.00 0.00 C ATOM 607 O ARG A 326 -9.879 -7.943 -9.752 1.00 0.00 O ATOM 608 CB ARG A 326 -12.140 -6.925 -8.333 1.00 0.00 C ATOM 609 CG ARG A 326 -13.102 -7.259 -7.177 1.00 0.00 C ATOM 610 CD ARG A 326 -13.312 -6.092 -6.211 1.00 0.00 C ATOM 611 NE ARG A 326 -14.675 -6.010 -5.672 1.00 0.00 N ATOM 612 CZ ARG A 326 -15.107 -6.239 -4.450 1.00 0.00 C ATOM 613 NH1 ARG A 326 -14.433 -6.930 -3.572 1.00 0.00 N ATOM 614 NH2 ARG A 326 -16.255 -5.741 -4.101 1.00 0.00 N ATOM 0 H ARG A 326 -10.663 -4.496 -8.123 1.00 0.00 H new ATOM 0 HA ARG A 326 -10.386 -7.253 -7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -12.540 -6.070 -8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -12.129 -7.767 -9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -14.065 -7.558 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -12.712 -8.114 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -12.609 -6.186 -5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -13.077 -5.160 -6.725 1.00 0.00 H new ATOM 0 HE ARG A 326 -15.393 -5.735 -6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -13.525 -7.322 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -14.814 -7.078 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -16.795 -5.189 -4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -16.616 -5.902 -3.161 1.00 0.00 H new ATOM 628 N VAL A 327 -8.630 -6.145 -9.258 1.00 0.00 N ATOM 629 CA VAL A 327 -7.885 -6.123 -10.544 1.00 0.00 C ATOM 630 C VAL A 327 -6.353 -6.081 -10.409 1.00 0.00 C ATOM 631 O VAL A 327 -5.724 -7.129 -10.275 1.00 0.00 O ATOM 632 CB VAL A 327 -8.471 -5.052 -11.493 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.847 -5.067 -12.889 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.962 -5.313 -11.690 1.00 0.00 C ATOM 0 H VAL A 327 -8.277 -5.485 -8.564 1.00 0.00 H new ATOM 0 HA VAL A 327 -8.044 -7.095 -11.011 1.00 0.00 H new ATOM 0 HB VAL A 327 -8.262 -4.091 -11.022 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.306 -4.290 -13.501 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.776 -4.882 -12.811 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -8.014 -6.039 -13.352 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -10.378 -4.559 -12.359 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -10.104 -6.302 -12.125 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -10.470 -5.264 -10.727 1.00 0.00 H new ATOM 644 N THR A 328 -5.756 -4.892 -10.503 1.00 0.00 N ATOM 645 CA THR A 328 -4.319 -4.697 -10.840 1.00 0.00 C ATOM 646 C THR A 328 -3.586 -3.675 -9.965 1.00 0.00 C ATOM 647 O THR A 328 -2.365 -3.545 -10.053 1.00 0.00 O ATOM 648 CB THR A 328 -4.166 -4.305 -12.325 1.00 0.00 C ATOM 649 OG1 THR A 328 -2.822 -4.364 -12.760 1.00 0.00 O ATOM 650 CG2 THR A 328 -4.718 -2.902 -12.625 1.00 0.00 C ATOM 0 H THR A 328 -6.253 -4.015 -10.347 1.00 0.00 H new ATOM 0 HA THR A 328 -3.847 -5.659 -10.640 1.00 0.00 H new ATOM 0 HB THR A 328 -4.754 -5.041 -12.873 1.00 0.00 H new ATOM 0 HG1 THR A 328 -2.226 -4.146 -12.013 1.00 0.00 H new ATOM 0 HG21 THR A 328 -4.585 -2.677 -13.683 1.00 0.00 H new ATOM 0 HG22 THR A 328 -5.779 -2.868 -12.377 1.00 0.00 H new ATOM 0 HG23 THR A 328 -4.182 -2.165 -12.027 1.00 0.00 H new ATOM 658 N GLY A 329 -4.319 -2.947 -9.122 1.00 0.00 N ATOM 659 CA GLY A 329 -3.764 -2.124 -8.050 1.00 0.00 C ATOM 660 C GLY A 329 -3.186 -0.784 -8.459 1.00 0.00 C ATOM 661 O GLY A 329 -2.155 -0.734 -9.127 1.00 0.00 O ATOM 0 H GLY A 329 -5.337 -2.913 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -4.548 -1.947 -7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -2.981 -2.696 -7.551 1.00 0.00 H new ATOM 665 N GLU A 330 -3.831 0.298 -8.030 1.00 0.00 N ATOM 666 CA GLU A 330 -3.527 1.651 -8.499 1.00 0.00 C ATOM 667 C GLU A 330 -3.777 2.701 -7.380 1.00 0.00 C ATOM 668 O GLU A 330 -4.375 3.758 -7.605 1.00 0.00 O ATOM 669 CB GLU A 330 -4.405 1.940 -9.744 1.00 0.00 C ATOM 670 CG GLU A 330 -4.248 0.981 -10.938 1.00 0.00 C ATOM 671 CD GLU A 330 -5.349 1.222 -11.989 1.00 0.00 C ATOM 672 OE1 GLU A 330 -5.153 2.059 -12.903 1.00 0.00 O ATOM 673 OE2 GLU A 330 -6.413 0.560 -11.907 1.00 0.00 O ATOM 0 H GLU A 330 -4.584 0.262 -7.343 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.473 1.722 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -5.450 1.929 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -4.185 2.951 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -3.268 1.120 -11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -4.293 -0.051 -10.589 1.00 0.00 H new ATOM 680 N ALA A 331 -3.388 2.376 -6.143 1.00 0.00 N ATOM 681 CA ALA A 331 -3.980 2.866 -4.897 1.00 0.00 C ATOM 682 C ALA A 331 -3.020 3.717 -4.050 1.00 0.00 C ATOM 683 O ALA A 331 -1.820 3.806 -4.333 1.00 0.00 O ATOM 684 CB ALA A 331 -4.428 1.614 -4.128 1.00 0.00 C ATOM 0 H ALA A 331 -2.614 1.733 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.809 3.537 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -4.881 1.911 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.157 1.063 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.564 0.978 -3.933 1.00 0.00 H new ATOM 690 N ASP A 332 -3.561 4.307 -2.979 1.00 0.00 N ATOM 691 CA ASP A 332 -2.816 5.061 -1.975 1.00 0.00 C ATOM 692 C ASP A 332 -3.328 4.811 -0.549 1.00 0.00 C ATOM 693 O ASP A 332 -4.414 4.270 -0.326 1.00 0.00 O ATOM 694 CB ASP A 332 -2.828 6.572 -2.285 1.00 0.00 C ATOM 695 CG ASP A 332 -1.775 7.042 -3.303 1.00 0.00 C ATOM 696 OD1 ASP A 332 -1.954 6.811 -4.523 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.809 7.719 -2.873 1.00 0.00 O ATOM 0 H ASP A 332 -4.562 4.270 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.789 4.699 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.816 6.842 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.679 7.119 -1.354 1.00 0.00 H new ATOM 702 N VAL A 333 -2.499 5.173 0.429 1.00 0.00 N ATOM 703 CA VAL A 333 -2.705 4.928 1.860 1.00 0.00 C ATOM 704 C VAL A 333 -2.101 6.050 2.676 1.00 0.00 C ATOM 705 O VAL A 333 -1.006 6.519 2.386 1.00 0.00 O ATOM 706 CB VAL A 333 -2.153 3.545 2.286 1.00 0.00 C ATOM 707 CG1 VAL A 333 -1.869 2.574 1.148 1.00 0.00 C ATOM 708 CG2 VAL A 333 -0.908 3.501 3.159 1.00 0.00 C ATOM 0 H VAL A 333 -1.627 5.667 0.240 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.778 4.909 2.053 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.015 3.244 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.487 1.638 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.789 2.381 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.128 3.007 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.648 2.464 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.081 3.983 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.101 4.025 4.095 1.00 0.00 H new ATOM 718 N GLU A 334 -2.810 6.485 3.707 1.00 0.00 N ATOM 719 CA GLU A 334 -2.678 7.827 4.254 1.00 0.00 C ATOM 720 C GLU A 334 -2.309 7.743 5.733 1.00 0.00 C ATOM 721 O GLU A 334 -3.120 7.358 6.578 1.00 0.00 O ATOM 722 CB GLU A 334 -4.002 8.574 4.072 1.00 0.00 C ATOM 723 CG GLU A 334 -4.078 9.630 2.964 1.00 0.00 C ATOM 724 CD GLU A 334 -4.451 9.080 1.571 1.00 0.00 C ATOM 725 OE1 GLU A 334 -4.035 7.962 1.201 1.00 0.00 O ATOM 726 OE2 GLU A 334 -5.215 9.774 0.856 1.00 0.00 O ATOM 0 H GLU A 334 -3.500 5.911 4.192 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.890 8.368 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.781 7.835 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.245 9.061 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.811 10.384 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.114 10.133 2.894 1.00 0.00 H new ATOM 733 N PHE A 335 -1.069 8.095 6.051 1.00 0.00 N ATOM 734 CA PHE A 335 -0.374 7.573 7.230 1.00 0.00 C ATOM 735 C PHE A 335 -0.113 8.608 8.325 1.00 0.00 C ATOM 736 O PHE A 335 -0.144 9.809 8.068 1.00 0.00 O ATOM 737 CB PHE A 335 0.975 6.993 6.785 1.00 0.00 C ATOM 738 CG PHE A 335 0.983 5.530 6.401 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.447 4.555 7.258 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.643 5.124 5.237 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.486 3.204 6.896 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.701 3.769 4.875 1.00 0.00 C ATOM 743 CZ PHE A 335 1.065 2.813 5.682 1.00 0.00 C ATOM 0 H PHE A 335 -0.514 8.750 5.501 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.034 6.822 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.332 7.572 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.693 7.138 7.592 1.00 0.00 H new ATOM 0 HD1 PHE A 335 0.004 4.849 8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.115 5.864 4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 335 0.067 2.459 7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 335 2.230 3.465 3.984 1.00 0.00 H new ATOM 0 HZ PHE A 335 1.022 1.780 5.368 1.00 0.00 H new ATOM 753 N ALA A 336 0.287 8.135 9.511 1.00 0.00 N ATOM 754 CA ALA A 336 0.993 8.895 10.534 1.00 0.00 C ATOM 755 C ALA A 336 2.470 9.166 10.182 1.00 0.00 C ATOM 756 O ALA A 336 3.397 8.891 10.949 1.00 0.00 O ATOM 757 CB ALA A 336 0.940 8.145 11.848 1.00 0.00 C ATOM 0 H ALA A 336 0.117 7.169 9.790 1.00 0.00 H new ATOM 0 HA ALA A 336 0.491 9.860 10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.468 8.714 12.613 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.099 8.010 12.148 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.413 7.170 11.730 1.00 0.00 H new ATOM 763 N THR A 337 2.702 9.678 8.986 1.00 0.00 N ATOM 764 CA THR A 337 3.707 10.666 8.614 1.00 0.00 C ATOM 765 C THR A 337 4.627 10.121 7.538 1.00 0.00 C ATOM 766 O THR A 337 4.587 8.933 7.212 1.00 0.00 O ATOM 767 CB THR A 337 4.495 11.268 9.792 1.00 0.00 C ATOM 768 OG1 THR A 337 5.376 10.392 10.437 1.00 0.00 O ATOM 769 CG2 THR A 337 3.621 12.042 10.777 1.00 0.00 C ATOM 0 H THR A 337 2.147 9.391 8.180 1.00 0.00 H new ATOM 0 HA THR A 337 3.148 11.509 8.208 1.00 0.00 H new ATOM 0 HB THR A 337 5.144 11.996 9.306 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.920 9.544 10.617 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.242 12.438 11.581 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.130 12.865 10.258 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.867 11.376 11.196 1.00 0.00 H new ATOM 777 N HIS A 338 5.491 10.998 7.026 1.00 0.00 N ATOM 778 CA HIS A 338 6.784 10.638 6.454 1.00 0.00 C ATOM 779 C HIS A 338 7.342 9.403 7.140 1.00 0.00 C ATOM 780 O HIS A 338 7.508 8.376 6.500 1.00 0.00 O ATOM 781 CB HIS A 338 7.678 11.879 6.618 1.00 0.00 C ATOM 782 CG HIS A 338 9.151 11.660 6.435 1.00 0.00 C ATOM 783 ND1 HIS A 338 10.119 11.771 7.405 1.00 0.00 N ATOM 784 CD2 HIS A 338 9.780 11.359 5.265 1.00 0.00 C ATOM 785 CE1 HIS A 338 11.311 11.536 6.831 1.00 0.00 C ATOM 786 NE2 HIS A 338 11.158 11.283 5.517 1.00 0.00 N ATOM 0 H HIS A 338 5.305 12.000 6.998 1.00 0.00 H new ATOM 0 HA HIS A 338 6.715 10.371 5.399 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.352 12.634 5.902 1.00 0.00 H new ATOM 0 HB3 HIS A 338 7.513 12.291 7.614 1.00 0.00 H new ATOM 0 HD1 HIS A 338 9.960 11.993 8.388 1.00 0.00 H new ATOM 0 HD2 HIS A 338 9.301 11.205 4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 338 12.258 11.548 7.350 1.00 0.00 H new ATOM 794 N GLU A 339 7.490 9.441 8.452 1.00 0.00 N ATOM 795 CA GLU A 339 8.126 8.371 9.199 1.00 0.00 C ATOM 796 C GLU A 339 7.316 7.067 9.270 1.00 0.00 C ATOM 797 O GLU A 339 7.917 5.995 9.172 1.00 0.00 O ATOM 798 CB GLU A 339 8.476 8.933 10.576 1.00 0.00 C ATOM 799 CG GLU A 339 9.755 9.773 10.474 1.00 0.00 C ATOM 800 CD GLU A 339 9.561 11.207 11.002 1.00 0.00 C ATOM 801 OE1 GLU A 339 9.576 11.415 12.241 1.00 0.00 O ATOM 802 OE2 GLU A 339 9.423 12.130 10.162 1.00 0.00 O ATOM 0 H GLU A 339 7.171 10.218 9.031 1.00 0.00 H new ATOM 0 HA GLU A 339 9.026 8.058 8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.655 9.545 10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.618 8.120 11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.552 9.286 11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 339 10.078 9.813 9.434 1.00 0.00 H new ATOM 809 N GLU A 340 5.979 7.103 9.343 1.00 0.00 N ATOM 810 CA GLU A 340 5.166 5.891 9.195 1.00 0.00 C ATOM 811 C GLU A 340 5.292 5.205 7.835 1.00 0.00 C ATOM 812 O GLU A 340 5.235 3.981 7.717 1.00 0.00 O ATOM 813 CB GLU A 340 3.729 6.286 9.484 1.00 0.00 C ATOM 814 CG GLU A 340 2.633 5.235 9.458 1.00 0.00 C ATOM 815 CD GLU A 340 2.605 4.437 10.777 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.657 3.939 11.241 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.513 4.332 11.375 1.00 0.00 O ATOM 0 H GLU A 340 5.440 7.954 9.503 1.00 0.00 H new ATOM 0 HA GLU A 340 5.530 5.142 9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.712 6.748 10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.454 7.059 8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.667 5.715 9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.794 4.556 8.621 1.00 0.00 H new ATOM 824 N ALA A 341 5.506 5.992 6.793 1.00 0.00 N ATOM 825 CA ALA A 341 5.315 5.583 5.425 1.00 0.00 C ATOM 826 C ALA A 341 6.622 5.172 4.782 1.00 0.00 C ATOM 827 O ALA A 341 6.717 4.135 4.141 1.00 0.00 O ATOM 828 CB ALA A 341 4.824 6.831 4.760 1.00 0.00 C ATOM 0 H ALA A 341 5.825 6.956 6.886 1.00 0.00 H new ATOM 0 HA ALA A 341 4.641 4.730 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.644 6.633 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.896 7.154 5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.574 7.616 4.860 1.00 0.00 H new ATOM 834 N VAL A 342 7.657 5.959 5.050 1.00 0.00 N ATOM 835 CA VAL A 342 9.052 5.637 4.916 1.00 0.00 C ATOM 836 C VAL A 342 9.395 4.360 5.648 1.00 0.00 C ATOM 837 O VAL A 342 10.254 3.613 5.181 1.00 0.00 O ATOM 838 CB VAL A 342 9.833 6.818 5.480 1.00 0.00 C ATOM 839 CG1 VAL A 342 11.298 6.574 5.625 1.00 0.00 C ATOM 840 CG2 VAL A 342 9.711 7.927 4.455 1.00 0.00 C ATOM 0 H VAL A 342 7.520 6.910 5.392 1.00 0.00 H new ATOM 0 HA VAL A 342 9.307 5.467 3.870 1.00 0.00 H new ATOM 0 HB VAL A 342 9.428 7.033 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 342 11.777 7.465 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 342 11.462 5.733 6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 342 11.727 6.346 4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 342 10.253 8.806 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 342 10.132 7.594 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 342 8.660 8.180 4.316 1.00 0.00 H new ATOM 850 N ALA A 343 8.705 4.055 6.751 1.00 0.00 N ATOM 851 CA ALA A 343 8.927 2.764 7.361 1.00 0.00 C ATOM 852 C ALA A 343 8.261 1.644 6.534 1.00 0.00 C ATOM 853 O ALA A 343 8.891 0.626 6.239 1.00 0.00 O ATOM 854 CB ALA A 343 8.473 2.773 8.818 1.00 0.00 C ATOM 0 H ALA A 343 8.024 4.657 7.213 1.00 0.00 H new ATOM 0 HA ALA A 343 9.997 2.554 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.648 1.792 9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 343 9.036 3.526 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.410 3.008 8.866 1.00 0.00 H new ATOM 860 N ALA A 344 7.045 1.888 6.032 1.00 0.00 N ATOM 861 CA ALA A 344 6.365 1.090 5.003 1.00 0.00 C ATOM 862 C ALA A 344 7.199 0.866 3.712 1.00 0.00 C ATOM 863 O ALA A 344 6.950 -0.089 2.984 1.00 0.00 O ATOM 864 CB ALA A 344 5.009 1.738 4.678 1.00 0.00 C ATOM 0 H ALA A 344 6.484 2.680 6.344 1.00 0.00 H new ATOM 0 HA ALA A 344 6.222 0.093 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.499 1.151 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.397 1.772 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.169 2.751 4.309 1.00 0.00 H new ATOM 870 N MET A 345 8.214 1.691 3.426 1.00 0.00 N ATOM 871 CA MET A 345 9.149 1.526 2.289 1.00 0.00 C ATOM 872 C MET A 345 10.181 0.418 2.493 1.00 0.00 C ATOM 873 O MET A 345 10.555 -0.277 1.550 1.00 0.00 O ATOM 874 CB MET A 345 9.892 2.845 2.012 1.00 0.00 C ATOM 875 CG MET A 345 8.951 4.004 1.673 1.00 0.00 C ATOM 876 SD MET A 345 8.042 3.765 0.153 1.00 0.00 S ATOM 877 CE MET A 345 6.578 2.873 0.705 1.00 0.00 C ATOM 0 H MET A 345 8.419 2.516 3.990 1.00 0.00 H new ATOM 0 HA MET A 345 8.528 1.240 1.440 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.486 3.111 2.886 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.588 2.697 1.187 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.244 4.139 2.492 1.00 0.00 H new ATOM 0 HG3 MET A 345 9.532 4.923 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 345 5.807 2.928 -0.064 1.00 0.00 H new ATOM 0 HE2 MET A 345 6.835 1.829 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.205 3.321 1.626 1.00 0.00 H new ATOM 887 N SER A 346 10.606 0.227 3.740 1.00 0.00 N ATOM 888 CA SER A 346 11.787 -0.536 4.189 1.00 0.00 C ATOM 889 C SER A 346 11.731 -2.079 4.006 1.00 0.00 C ATOM 890 O SER A 346 12.441 -2.825 4.684 1.00 0.00 O ATOM 891 CB SER A 346 11.991 -0.103 5.646 1.00 0.00 C ATOM 892 OG SER A 346 13.277 -0.439 6.151 1.00 0.00 O ATOM 0 H SER A 346 10.101 0.629 4.529 1.00 0.00 H new ATOM 0 HA SER A 346 12.638 -0.302 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 346 11.847 0.975 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.229 -0.571 6.269 1.00 0.00 H new ATOM 0 HG SER A 346 13.510 -1.349 5.873 1.00 0.00 H new ATOM 898 N LYS A 347 10.850 -2.566 3.119 1.00 0.00 N ATOM 899 CA LYS A 347 10.657 -3.984 2.722 1.00 0.00 C ATOM 900 C LYS A 347 10.374 -4.236 1.235 1.00 0.00 C ATOM 901 O LYS A 347 10.613 -5.349 0.792 1.00 0.00 O ATOM 902 CB LYS A 347 9.573 -4.681 3.570 1.00 0.00 C ATOM 903 CG LYS A 347 8.142 -4.360 3.116 1.00 0.00 C ATOM 904 CD LYS A 347 7.756 -2.903 3.260 1.00 0.00 C ATOM 905 CE LYS A 347 7.490 -2.585 4.727 1.00 0.00 C ATOM 906 NZ LYS A 347 8.630 -2.041 5.506 1.00 0.00 N ATOM 0 H LYS A 347 10.209 -1.947 2.624 1.00 0.00 H new ATOM 0 HA LYS A 347 11.636 -4.422 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.726 -5.759 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 347 9.691 -4.384 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.030 -4.652 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.445 -4.967 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.554 -2.266 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.867 -2.692 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.670 -1.868 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.147 -3.496 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 8.520 -2.298 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 9.520 -2.438 5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 8.650 -1.005 5.415 1.00 0.00 H new ATOM 920 N ASP A 348 9.813 -3.252 0.524 1.00 0.00 N ATOM 921 CA ASP A 348 9.102 -3.231 -0.770 1.00 0.00 C ATOM 922 C ASP A 348 8.565 -4.514 -1.465 1.00 0.00 C ATOM 923 O ASP A 348 7.425 -4.526 -1.939 1.00 0.00 O ATOM 924 CB ASP A 348 9.947 -2.393 -1.741 1.00 0.00 C ATOM 925 CG ASP A 348 11.322 -3.017 -2.059 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.424 -3.806 -3.025 1.00 0.00 O ATOM 927 OD2 ASP A 348 12.311 -2.708 -1.351 1.00 0.00 O ATOM 0 H ASP A 348 9.852 -2.304 0.899 1.00 0.00 H new ATOM 0 HA ASP A 348 8.135 -2.817 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.393 -2.261 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.097 -1.401 -1.316 1.00 0.00 H new ATOM 932 N ARG A 349 9.336 -5.598 -1.538 1.00 0.00 N ATOM 933 CA ARG A 349 9.087 -6.839 -2.299 1.00 0.00 C ATOM 934 C ARG A 349 7.962 -7.755 -1.783 1.00 0.00 C ATOM 935 O ARG A 349 7.983 -8.960 -2.022 1.00 0.00 O ATOM 936 CB ARG A 349 10.400 -7.605 -2.422 1.00 0.00 C ATOM 937 CG ARG A 349 10.960 -8.011 -1.056 1.00 0.00 C ATOM 938 CD ARG A 349 11.898 -9.187 -1.276 1.00 0.00 C ATOM 939 NE ARG A 349 13.027 -9.168 -0.319 1.00 0.00 N ATOM 940 CZ ARG A 349 13.085 -9.679 0.899 1.00 0.00 C ATOM 941 NH1 ARG A 349 12.140 -10.415 1.404 1.00 0.00 N ATOM 942 NH2 ARG A 349 14.122 -9.450 1.654 1.00 0.00 N ATOM 0 H ARG A 349 10.220 -5.643 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 349 8.710 -6.515 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 349 10.243 -8.497 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 349 11.131 -6.988 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 349 11.492 -7.178 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 349 10.153 -8.287 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 349 11.345 -10.120 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 349 12.283 -9.160 -2.295 1.00 0.00 H new ATOM 0 HE ARG A 349 13.873 -8.698 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 349 11.306 -10.622 0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 349 12.233 -10.786 2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 349 14.890 -8.876 1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 349 14.166 -9.845 2.594 1.00 0.00 H new ATOM 956 N ALA A 350 7.009 -7.256 -1.004 1.00 0.00 N ATOM 957 CA ALA A 350 6.594 -8.007 0.197 1.00 0.00 C ATOM 958 C ALA A 350 5.080 -8.205 0.342 1.00 0.00 C ATOM 959 O ALA A 350 4.578 -8.761 1.319 1.00 0.00 O ATOM 960 CB ALA A 350 7.188 -7.283 1.404 1.00 0.00 C ATOM 0 H ALA A 350 6.521 -6.374 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 350 6.972 -9.026 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.905 -7.806 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.274 -7.264 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.809 -6.262 1.439 1.00 0.00 H new ATOM 966 N ASN A 351 4.362 -7.733 -0.665 1.00 0.00 N ATOM 967 CA ASN A 351 3.052 -7.116 -0.519 1.00 0.00 C ATOM 968 C ASN A 351 1.949 -7.933 -1.194 1.00 0.00 C ATOM 969 O ASN A 351 0.787 -7.893 -0.788 1.00 0.00 O ATOM 970 CB ASN A 351 3.280 -5.745 -1.173 1.00 0.00 C ATOM 971 CG ASN A 351 2.131 -4.745 -1.207 1.00 0.00 C ATOM 972 OD1 ASN A 351 2.339 -3.580 -1.482 1.00 0.00 O ATOM 973 ND2 ASN A 351 0.897 -5.110 -0.972 1.00 0.00 N ATOM 0 H ASN A 351 4.683 -7.769 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 351 2.703 -7.046 0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 351 4.115 -5.270 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 351 3.596 -5.919 -2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 351 0.144 -4.424 -1.022 1.00 0.00 H new ATOM 0 HD22 ASN A 351 0.688 -6.081 -0.738 1.00 0.00 H new ATOM 980 N MET A 352 2.347 -8.705 -2.195 1.00 0.00 N ATOM 981 CA MET A 352 1.521 -9.702 -2.863 1.00 0.00 C ATOM 982 C MET A 352 2.278 -11.020 -2.903 1.00 0.00 C ATOM 983 O MET A 352 3.360 -11.114 -3.477 1.00 0.00 O ATOM 984 CB MET A 352 1.027 -9.177 -4.216 1.00 0.00 C ATOM 985 CG MET A 352 2.038 -8.980 -5.351 1.00 0.00 C ATOM 986 SD MET A 352 2.470 -10.432 -6.357 1.00 0.00 S ATOM 987 CE MET A 352 0.971 -10.596 -7.367 1.00 0.00 C ATOM 0 H MET A 352 3.290 -8.652 -2.579 1.00 0.00 H new ATOM 0 HA MET A 352 0.604 -9.899 -2.307 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.259 -9.863 -4.575 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.540 -8.218 -4.039 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.647 -8.213 -6.019 1.00 0.00 H new ATOM 0 HG3 MET A 352 2.957 -8.587 -4.917 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.092 -11.424 -8.065 1.00 0.00 H new ATOM 0 HE2 MET A 352 0.115 -10.789 -6.720 1.00 0.00 H new ATOM 0 HE3 MET A 352 0.804 -9.674 -7.923 1.00 0.00 H new ATOM 997 N GLN A 353 1.729 -12.011 -2.199 1.00 0.00 N ATOM 998 CA GLN A 353 2.217 -13.392 -2.111 1.00 0.00 C ATOM 999 C GLN A 353 3.735 -13.530 -1.808 1.00 0.00 C ATOM 1000 O GLN A 353 4.338 -14.541 -2.178 1.00 0.00 O ATOM 1001 CB GLN A 353 1.758 -14.175 -3.370 1.00 0.00 C ATOM 1002 CG GLN A 353 0.444 -13.732 -4.068 1.00 0.00 C ATOM 1003 CD GLN A 353 -0.817 -13.654 -3.194 1.00 0.00 C ATOM 1004 OE1 GLN A 353 -0.816 -13.859 -1.986 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -1.955 -13.324 -3.774 1.00 0.00 N ATOM 0 H GLN A 353 0.886 -11.866 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 353 1.763 -13.845 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 353 2.560 -14.123 -4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 353 1.650 -15.223 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 353 0.610 -12.750 -4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 353 0.246 -14.423 -4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -1.983 -13.148 -4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -2.807 -13.245 -3.218 1.00 0.00 H new ATOM 1014 N HIS A 354 4.347 -12.513 -1.168 1.00 0.00 N ATOM 1015 CA HIS A 354 5.796 -12.228 -1.146 1.00 0.00 C ATOM 1016 C HIS A 354 6.471 -12.337 -2.536 1.00 0.00 C ATOM 1017 O HIS A 354 6.794 -13.436 -2.996 1.00 0.00 O ATOM 1018 CB HIS A 354 6.488 -13.082 -0.072 1.00 0.00 C ATOM 1019 CG HIS A 354 7.974 -12.846 -0.038 1.00 0.00 C ATOM 1020 ND1 HIS A 354 8.939 -13.685 -0.547 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.605 -11.704 0.374 1.00 0.00 C ATOM 1022 CE1 HIS A 354 10.127 -13.070 -0.445 1.00 0.00 C ATOM 1023 NE2 HIS A 354 9.973 -11.857 0.117 1.00 0.00 N ATOM 0 H HIS A 354 3.816 -11.833 -0.624 1.00 0.00 H new ATOM 0 HA HIS A 354 5.918 -11.180 -0.873 1.00 0.00 H new ATOM 0 HB2 HIS A 354 6.062 -12.852 0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.292 -14.137 -0.265 1.00 0.00 H new ATOM 0 HD1 HIS A 354 8.779 -14.615 -0.935 1.00 0.00 H new ATOM 0 HD2 HIS A 354 8.133 -10.840 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.070 -13.488 -0.767 1.00 0.00 H new ATOM 1031 N ARG A 355 6.670 -11.203 -3.231 1.00 0.00 N ATOM 1032 CA ARG A 355 7.092 -11.166 -4.653 1.00 0.00 C ATOM 1033 C ARG A 355 7.647 -9.793 -5.066 1.00 0.00 C ATOM 1034 O ARG A 355 8.853 -9.693 -5.282 1.00 0.00 O ATOM 1035 CB ARG A 355 5.912 -11.605 -5.562 1.00 0.00 C ATOM 1036 CG ARG A 355 6.316 -12.387 -6.827 1.00 0.00 C ATOM 1037 CD ARG A 355 7.004 -13.738 -6.558 1.00 0.00 C ATOM 1038 NE ARG A 355 6.301 -14.522 -5.523 1.00 0.00 N ATOM 1039 CZ ARG A 355 5.521 -15.577 -5.645 1.00 0.00 C ATOM 1040 NH1 ARG A 355 5.326 -16.181 -6.783 1.00 0.00 N ATOM 1041 NH2 ARG A 355 4.909 -16.042 -4.594 1.00 0.00 N ATOM 0 H ARG A 355 6.543 -10.277 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 355 7.914 -11.870 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.231 -12.221 -4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 355 5.357 -10.717 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 355 5.424 -12.563 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 355 6.985 -11.766 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 355 7.046 -14.314 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 355 8.033 -13.564 -6.244 1.00 0.00 H new ATOM 0 HE ARG A 355 6.441 -14.197 -4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 355 5.786 -15.840 -7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 355 4.713 -16.995 -6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 355 5.036 -15.590 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 355 4.303 -16.858 -4.676 1.00 0.00 H new ATOM 1055 N TYR A 356 6.777 -8.768 -5.106 1.00 0.00 N ATOM 1056 CA TYR A 356 7.017 -7.311 -5.243 1.00 0.00 C ATOM 1057 C TYR A 356 5.785 -6.520 -5.705 1.00 0.00 C ATOM 1058 O TYR A 356 4.949 -7.005 -6.468 1.00 0.00 O ATOM 1059 CB TYR A 356 8.252 -6.951 -6.101 1.00 0.00 C ATOM 1060 CG TYR A 356 8.451 -5.471 -6.408 1.00 0.00 C ATOM 1061 CD1 TYR A 356 7.841 -4.888 -7.540 1.00 0.00 C ATOM 1062 CD2 TYR A 356 9.233 -4.668 -5.553 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.082 -3.538 -7.860 1.00 0.00 C ATOM 1064 CE2 TYR A 356 9.488 -3.322 -5.878 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.926 -2.758 -7.043 1.00 0.00 C ATOM 1066 OH TYR A 356 9.189 -1.467 -7.377 1.00 0.00 O ATOM 0 H TYR A 356 5.777 -8.956 -5.036 1.00 0.00 H new ATOM 0 HA TYR A 356 7.238 -6.998 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 356 9.142 -7.318 -5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 356 8.182 -7.490 -7.046 1.00 0.00 H new ATOM 0 HD1 TYR A 356 7.187 -5.480 -8.163 1.00 0.00 H new ATOM 0 HD2 TYR A 356 9.639 -5.087 -4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 356 7.620 -3.100 -8.732 1.00 0.00 H new ATOM 0 HE2 TYR A 356 10.114 -2.721 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 356 9.786 -1.071 -6.708 1.00 0.00 H new ATOM 1076 N ILE A 357 5.735 -5.267 -5.238 1.00 0.00 N ATOM 1077 CA ILE A 357 4.807 -4.191 -5.595 1.00 0.00 C ATOM 1078 C ILE A 357 5.586 -2.871 -5.600 1.00 0.00 C ATOM 1079 O ILE A 357 6.535 -2.697 -4.834 1.00 0.00 O ATOM 1080 CB ILE A 357 3.696 -4.115 -4.533 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.772 -5.347 -4.578 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.875 -2.817 -4.591 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.914 -5.453 -5.836 1.00 0.00 C ATOM 0 H ILE A 357 6.405 -4.953 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 357 4.365 -4.376 -6.574 1.00 0.00 H new ATOM 0 HB ILE A 357 4.217 -4.109 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.383 -6.246 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.116 -5.325 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 357 2.111 -2.835 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.533 -1.963 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 357 2.397 -2.732 -5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.296 -6.349 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.273 -4.575 -5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.559 -5.510 -6.713 1.00 0.00 H new ATOM 1095 N GLU A 358 5.136 -1.911 -6.405 1.00 0.00 N ATOM 1096 CA GLU A 358 5.650 -0.539 -6.390 1.00 0.00 C ATOM 1097 C GLU A 358 5.194 0.243 -5.154 1.00 0.00 C ATOM 1098 O GLU A 358 4.332 1.118 -5.240 1.00 0.00 O ATOM 1099 CB GLU A 358 5.300 0.222 -7.688 1.00 0.00 C ATOM 1100 CG GLU A 358 5.574 -0.514 -9.006 1.00 0.00 C ATOM 1101 CD GLU A 358 5.455 0.457 -10.197 1.00 0.00 C ATOM 1102 OE1 GLU A 358 6.380 1.271 -10.432 1.00 0.00 O ATOM 1103 OE2 GLU A 358 4.411 0.477 -10.888 1.00 0.00 O ATOM 0 H GLU A 358 4.398 -2.063 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 358 6.736 -0.622 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 358 4.242 0.483 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.859 1.158 -7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 358 6.571 -0.953 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.867 -1.335 -9.126 1.00 0.00 H new ATOM 1110 N LEU A 359 5.776 -0.077 -3.999 1.00 0.00 N ATOM 1111 CA LEU A 359 5.611 0.647 -2.754 1.00 0.00 C ATOM 1112 C LEU A 359 6.441 1.938 -2.694 1.00 0.00 C ATOM 1113 O LEU A 359 7.640 1.867 -2.419 1.00 0.00 O ATOM 1114 CB LEU A 359 6.051 -0.304 -1.626 1.00 0.00 C ATOM 1115 CG LEU A 359 5.036 -1.357 -1.147 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.589 -1.939 0.137 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.666 -0.715 -1.076 1.00 0.00 C ATOM 0 H LEU A 359 6.398 -0.880 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 359 4.569 0.954 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 359 6.947 -0.828 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.337 0.303 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 359 4.896 -2.199 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.903 -2.695 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.559 -2.396 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.704 -1.146 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 359 2.936 -1.451 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.691 0.120 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.383 -0.351 -2.064 1.00 0.00 H new ATOM 1129 N PHE A 360 5.814 3.104 -2.917 1.00 0.00 N ATOM 1130 CA PHE A 360 6.512 4.397 -2.868 1.00 0.00 C ATOM 1131 C PHE A 360 5.705 5.614 -2.502 1.00 0.00 C ATOM 1132 O PHE A 360 4.513 5.728 -2.736 1.00 0.00 O ATOM 1133 CB PHE A 360 7.181 4.733 -4.192 1.00 0.00 C ATOM 1134 CG PHE A 360 8.187 3.725 -4.689 1.00 0.00 C ATOM 1135 CD1 PHE A 360 7.742 2.590 -5.399 1.00 0.00 C ATOM 1136 CD2 PHE A 360 9.551 3.881 -4.383 1.00 0.00 C ATOM 1137 CE1 PHE A 360 8.680 1.641 -5.836 1.00 0.00 C ATOM 1138 CE2 PHE A 360 10.479 2.913 -4.800 1.00 0.00 C ATOM 1139 CZ PHE A 360 10.047 1.801 -5.542 1.00 0.00 C ATOM 0 H PHE A 360 4.820 3.177 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 360 7.214 4.213 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 360 6.407 4.851 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.679 5.698 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 360 6.691 2.453 -5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 360 9.885 4.745 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 360 8.350 0.782 -6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 360 11.524 3.023 -4.550 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.763 1.070 -5.886 1.00 0.00 H new ATOM 1149 N LEU A 361 6.443 6.569 -1.955 1.00 0.00 N ATOM 1150 CA LEU A 361 5.907 7.656 -1.186 1.00 0.00 C ATOM 1151 C LEU A 361 6.302 9.027 -1.732 1.00 0.00 C ATOM 1152 O LEU A 361 7.318 9.196 -2.409 1.00 0.00 O ATOM 1153 CB LEU A 361 6.302 7.343 0.249 1.00 0.00 C ATOM 1154 CG LEU A 361 7.674 7.675 0.840 1.00 0.00 C ATOM 1155 CD1 LEU A 361 8.967 7.274 0.154 1.00 0.00 C ATOM 1156 CD2 LEU A 361 7.778 9.153 1.185 1.00 0.00 C ATOM 0 H LEU A 361 7.459 6.600 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 361 4.822 7.736 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 361 5.567 7.837 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.164 6.269 0.378 1.00 0.00 H new ATOM 0 HG LEU A 361 7.641 6.993 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.815 7.612 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.004 6.189 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.012 7.733 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 361 8.763 9.361 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.634 9.748 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 361 7.012 9.411 1.916 1.00 0.00 H new ATOM 1168 N ASN A 362 5.425 9.993 -1.476 1.00 0.00 N ATOM 1169 CA ASN A 362 5.226 11.153 -2.350 1.00 0.00 C ATOM 1170 C ASN A 362 5.352 12.492 -1.591 1.00 0.00 C ATOM 1171 O ASN A 362 4.993 13.552 -2.113 1.00 0.00 O ATOM 1172 CB ASN A 362 3.826 11.025 -2.993 1.00 0.00 C ATOM 1173 CG ASN A 362 3.421 9.627 -3.446 1.00 0.00 C ATOM 1174 OD1 ASN A 362 3.788 9.165 -4.515 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.644 8.907 -2.661 1.00 0.00 N ATOM 0 H ASN A 362 4.826 9.996 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 362 6.006 11.161 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.086 11.381 -2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 362 3.782 11.691 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 362 2.354 7.972 -2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.333 9.285 -1.766 1.00 0.00 H new ATOM 1182 N SER A 363 5.733 12.432 -0.311 1.00 0.00 N ATOM 1183 CA SER A 363 4.778 12.894 0.702 1.00 0.00 C ATOM 1184 C SER A 363 5.391 13.508 1.966 1.00 0.00 C ATOM 1185 O SER A 363 6.467 13.122 2.429 1.00 0.00 O ATOM 1186 CB SER A 363 3.894 11.697 1.077 1.00 0.00 C ATOM 1187 OG SER A 363 2.771 11.694 0.225 1.00 0.00 O ATOM 0 H SER A 363 6.631 12.093 0.034 1.00 0.00 H new ATOM 0 HA SER A 363 4.217 13.715 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 363 4.451 10.766 0.974 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.581 11.768 2.119 1.00 0.00 H new ATOM 0 HG SER A 363 2.577 10.776 -0.058 1.00 0.00 H new ATOM 1193 N THR A 364 4.652 14.468 2.529 1.00 0.00 N ATOM 1194 CA THR A 364 5.015 15.336 3.667 1.00 0.00 C ATOM 1195 C THR A 364 4.772 14.675 5.037 1.00 0.00 C ATOM 1196 O THR A 364 4.452 13.493 5.133 1.00 0.00 O ATOM 1197 CB THR A 364 4.215 16.666 3.594 1.00 0.00 C ATOM 1198 OG1 THR A 364 3.645 16.895 2.315 1.00 0.00 O ATOM 1199 CG2 THR A 364 5.101 17.880 3.888 1.00 0.00 C ATOM 0 H THR A 364 3.717 14.679 2.181 1.00 0.00 H new ATOM 0 HA THR A 364 6.085 15.524 3.583 1.00 0.00 H new ATOM 0 HB THR A 364 3.432 16.555 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 364 3.152 17.742 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 364 4.504 18.790 3.827 1.00 0.00 H new ATOM 0 HG22 THR A 364 5.522 17.789 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 364 5.909 17.926 3.157 1.00 0.00 H new ATOM 1207 N THR A 365 4.891 15.429 6.128 1.00 0.00 N ATOM 1208 CA THR A 365 4.515 15.015 7.492 1.00 0.00 C ATOM 1209 C THR A 365 3.809 16.184 8.190 1.00 0.00 C ATOM 1210 O THR A 365 4.355 17.291 8.257 1.00 0.00 O ATOM 1211 CB THR A 365 5.742 14.531 8.286 1.00 0.00 C ATOM 1212 OG1 THR A 365 5.488 14.557 9.671 1.00 0.00 O ATOM 1213 CG2 THR A 365 7.061 15.265 8.023 1.00 0.00 C ATOM 0 H THR A 365 5.264 16.378 6.093 1.00 0.00 H new ATOM 0 HA THR A 365 3.829 14.170 7.439 1.00 0.00 H new ATOM 0 HB THR A 365 5.888 13.516 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 365 6.281 14.244 10.155 1.00 0.00 H new ATOM 0 HG21 THR A 365 7.848 14.832 8.641 1.00 0.00 H new ATOM 0 HG22 THR A 365 7.330 15.165 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 365 6.945 16.321 8.269 1.00 0.00 H new ATOM 1221 N GLY A 366 2.577 15.972 8.666 1.00 0.00 N ATOM 1222 CA GLY A 366 1.808 17.004 9.377 1.00 0.00 C ATOM 1223 C GLY A 366 0.329 16.724 9.726 1.00 0.00 C ATOM 1224 O GLY A 366 -0.474 17.655 9.656 1.00 0.00 O ATOM 0 H GLY A 366 2.085 15.084 8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 366 2.331 17.222 10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 366 1.838 17.912 8.774 1.00 0.00 H new ATOM 1228 N ALA A 367 -0.132 15.517 10.083 1.00 0.00 N ATOM 1229 CA ALA A 367 0.569 14.233 10.200 1.00 0.00 C ATOM 1230 C ALA A 367 0.425 13.436 8.892 1.00 0.00 C ATOM 1231 O ALA A 367 1.415 13.375 8.134 1.00 0.00 O ATOM 1232 CB ALA A 367 0.002 13.473 11.411 1.00 0.00 C ATOM 0 H ALA A 367 -1.117 15.406 10.324 1.00 0.00 H new ATOM 0 HA ALA A 367 1.636 14.389 10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 367 0.513 12.516 11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 367 0.155 14.063 12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 367 -1.065 13.301 11.266 1.00 0.00 H new TER 1238 ALA A 367