USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 732 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 311 SER OG : rot 87:sc= 1.71 USER MOD Set 1.2: A 395 TYR OH : rot -147:sc= 0.508 USER MOD Set 2.1: A 367 THR OG1 : rot -92:sc= 0.699 USER MOD Set 2.2: A 379 SER OG : rot 180:sc= 0.647 USER MOD Set 3.1: A 364 LYS NZ :NH3+ -149:sc= -1.43 (180deg=-3.34!) USER MOD Set 3.2: A 365 SER OG : rot 180:sc= -0.0499 USER MOD Set 4.1: A 354 THR OG1 : rot 122:sc= 1.1 USER MOD Set 4.2: A 355 ASN :FLIP amide:sc= -0.748 F(o=-1.3!,f=0.37) USER MOD Set 4.3: B 381 TYR OH : rot -26:sc= 0.0133 USER MOD Set 5.1: A 333 THR OG1 : rot -52:sc= 2.23 USER MOD Set 5.2: A 336 CYS SG : rot 9:sc= -0.575 USER MOD Set 5.3: A 338 MET CE :methyl -165:sc= -0.795 (180deg=-1.22) USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 LYS NZ :NH3+ 151:sc= 1.27 (180deg=1) USER MOD Single : A 343 LYS NZ :NH3+ -144:sc= -0.176 (180deg=-0.705) USER MOD Single : A 344 THR OG1 : rot 73:sc= 0.045 USER MOD Single : A 345 LYS NZ :NH3+ -169:sc= -0.922 (180deg=-1.3) USER MOD Single : A 349 GLN : amide:sc=2.55e-06 K(o=2.6e-06,f=-3.3!) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 357 LYS NZ :NH3+ 168:sc= -0.0398 (180deg=-0.241) USER MOD Single : A 362 SER OG : rot 180:sc= 0 USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 374 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 TYR OH : rot 34:sc= 1.1 USER MOD Single : A 381 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 THR OG1 : rot 113:sc= 0.334 USER MOD Single : A 383 THR OG1 : rot 180:sc= 0.00174 USER MOD Single : A 387 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 390 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 377 ASN :FLIP amide:sc= -8.36! C(o=-9.9!,f=-8.4!) USER MOD Single : B 380 TYR OH : rot 180:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 26 N SER A 311 3.903 7.345 10.033 1.00 0.71 N ATOM 27 CA SER A 311 3.379 5.991 9.967 1.00 0.41 C ATOM 28 C SER A 311 3.955 5.240 8.769 1.00 0.34 C ATOM 29 O SER A 311 3.472 5.368 7.639 1.00 0.47 O ATOM 30 CB SER A 311 1.850 6.021 9.914 1.00 0.59 C ATOM 31 OG SER A 311 1.384 7.068 9.076 1.00 1.06 O ATOM 0 HA SER A 311 3.683 5.457 10.867 1.00 0.41 H new ATOM 0 HB2 SER A 311 1.478 5.065 9.546 1.00 0.59 H new ATOM 0 HB3 SER A 311 1.451 6.153 10.920 1.00 0.59 H new ATOM 0 HG SER A 311 1.341 6.751 8.150 1.00 1.06 H new ATOM 37 N PHE A 312 5.007 4.475 9.023 1.00 0.29 N ATOM 38 CA PHE A 312 5.669 3.698 7.986 1.00 0.27 C ATOM 39 C PHE A 312 5.624 2.222 8.332 1.00 0.26 C ATOM 40 O PHE A 312 5.852 1.842 9.481 1.00 0.34 O ATOM 41 CB PHE A 312 7.127 4.141 7.820 1.00 0.31 C ATOM 42 CG PHE A 312 7.291 5.483 7.167 1.00 0.34 C ATOM 43 CD1 PHE A 312 7.176 6.649 7.903 1.00 0.45 C ATOM 44 CD2 PHE A 312 7.568 5.574 5.813 1.00 0.33 C ATOM 45 CE1 PHE A 312 7.331 7.882 7.301 1.00 0.52 C ATOM 46 CE2 PHE A 312 7.724 6.804 5.206 1.00 0.38 C ATOM 47 CZ PHE A 312 7.606 7.960 5.952 1.00 0.47 C ATOM 0 H PHE A 312 5.424 4.376 9.949 1.00 0.29 H new ATOM 0 HA PHE A 312 5.143 3.867 7.047 1.00 0.27 H new ATOM 0 HB2 PHE A 312 7.601 4.166 8.801 1.00 0.31 H new ATOM 0 HB3 PHE A 312 7.657 3.394 7.229 1.00 0.31 H new ATOM 0 HD1 PHE A 312 6.963 6.594 8.960 1.00 0.45 H new ATOM 0 HD2 PHE A 312 7.663 4.673 5.226 1.00 0.33 H new ATOM 0 HE1 PHE A 312 7.237 8.785 7.886 1.00 0.52 H new ATOM 0 HE2 PHE A 312 7.938 6.862 4.149 1.00 0.38 H new ATOM 0 HZ PHE A 312 7.729 8.923 5.480 1.00 0.47 H new ATOM 57 N PHE A 313 5.326 1.396 7.346 1.00 0.24 N ATOM 58 CA PHE A 313 5.276 -0.042 7.550 1.00 0.26 C ATOM 59 C PHE A 313 6.472 -0.720 6.906 1.00 0.26 C ATOM 60 O PHE A 313 6.854 -0.394 5.780 1.00 0.26 O ATOM 61 CB PHE A 313 3.980 -0.626 6.991 1.00 0.28 C ATOM 62 CG PHE A 313 2.758 -0.239 7.774 1.00 0.30 C ATOM 63 CD1 PHE A 313 2.351 -0.996 8.861 1.00 0.34 C ATOM 64 CD2 PHE A 313 2.018 0.877 7.424 1.00 0.32 C ATOM 65 CE1 PHE A 313 1.228 -0.646 9.584 1.00 0.40 C ATOM 66 CE2 PHE A 313 0.894 1.231 8.143 1.00 0.37 C ATOM 67 CZ PHE A 313 0.499 0.469 9.224 1.00 0.41 C ATOM 0 H PHE A 313 5.114 1.696 6.394 1.00 0.24 H new ATOM 0 HA PHE A 313 5.306 -0.227 8.624 1.00 0.26 H new ATOM 0 HB2 PHE A 313 3.859 -0.297 5.959 1.00 0.28 H new ATOM 0 HB3 PHE A 313 4.060 -1.713 6.972 1.00 0.28 H new ATOM 0 HD1 PHE A 313 2.919 -1.870 9.146 1.00 0.34 H new ATOM 0 HD2 PHE A 313 2.323 1.477 6.580 1.00 0.32 H new ATOM 0 HE1 PHE A 313 0.921 -1.244 10.430 1.00 0.40 H new ATOM 0 HE2 PHE A 313 0.324 2.104 7.860 1.00 0.37 H new ATOM 0 HZ PHE A 313 -0.380 0.745 9.788 1.00 0.41 H new ATOM 77 N LEU A 314 7.066 -1.652 7.630 1.00 0.36 N ATOM 78 CA LEU A 314 8.201 -2.402 7.124 1.00 0.38 C ATOM 79 C LEU A 314 7.720 -3.548 6.244 1.00 0.37 C ATOM 80 O LEU A 314 7.215 -4.560 6.736 1.00 0.50 O ATOM 81 CB LEU A 314 9.047 -2.938 8.281 1.00 0.51 C ATOM 82 CG LEU A 314 10.314 -3.690 7.869 1.00 0.57 C ATOM 83 CD1 LEU A 314 11.260 -2.771 7.110 1.00 0.54 C ATOM 84 CD2 LEU A 314 11.003 -4.275 9.090 1.00 0.72 C ATOM 0 H LEU A 314 6.779 -1.908 8.575 1.00 0.36 H new ATOM 0 HA LEU A 314 8.821 -1.735 6.525 1.00 0.38 H new ATOM 0 HB2 LEU A 314 9.332 -2.102 8.919 1.00 0.51 H new ATOM 0 HB3 LEU A 314 8.429 -3.603 8.884 1.00 0.51 H new ATOM 0 HG LEU A 314 10.029 -4.508 7.208 1.00 0.57 H new ATOM 0 HD11 LEU A 314 12.155 -3.325 6.826 1.00 0.54 H new ATOM 0 HD12 LEU A 314 10.764 -2.398 6.214 1.00 0.54 H new ATOM 0 HD13 LEU A 314 11.540 -1.931 7.746 1.00 0.54 H new ATOM 0 HD21 LEU A 314 11.903 -4.807 8.780 1.00 0.72 H new ATOM 0 HD22 LEU A 314 11.274 -3.471 9.775 1.00 0.72 H new ATOM 0 HD23 LEU A 314 10.327 -4.967 9.592 1.00 0.72 H new ATOM 96 N VAL A 315 7.864 -3.379 4.942 1.00 0.26 N ATOM 97 CA VAL A 315 7.426 -4.385 3.990 1.00 0.26 C ATOM 98 C VAL A 315 8.610 -4.915 3.193 1.00 0.24 C ATOM 99 O VAL A 315 9.685 -4.317 3.196 1.00 0.27 O ATOM 100 CB VAL A 315 6.354 -3.827 3.027 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.125 -3.376 3.799 1.00 0.30 C ATOM 102 CG2 VAL A 315 6.909 -2.681 2.191 1.00 0.23 C ATOM 0 H VAL A 315 8.283 -2.551 4.518 1.00 0.26 H new ATOM 0 HA VAL A 315 6.980 -5.201 4.558 1.00 0.26 H new ATOM 0 HB VAL A 315 6.063 -4.629 2.348 1.00 0.26 H new ATOM 0 HG11 VAL A 315 4.381 -2.986 3.104 1.00 0.30 H new ATOM 0 HG12 VAL A 315 4.705 -4.223 4.342 1.00 0.30 H new ATOM 0 HG13 VAL A 315 5.406 -2.595 4.506 1.00 0.30 H new ATOM 0 HG21 VAL A 315 6.132 -2.309 1.523 1.00 0.23 H new ATOM 0 HG22 VAL A 315 7.238 -1.877 2.849 1.00 0.23 H new ATOM 0 HG23 VAL A 315 7.754 -3.037 1.602 1.00 0.23 H new ATOM 112 N LYS A 316 8.421 -6.045 2.536 1.00 0.25 N ATOM 113 CA LYS A 316 9.470 -6.631 1.716 1.00 0.28 C ATOM 114 C LYS A 316 8.965 -6.860 0.299 1.00 0.28 C ATOM 115 O LYS A 316 8.043 -7.646 0.074 1.00 0.28 O ATOM 116 CB LYS A 316 9.961 -7.944 2.331 1.00 0.34 C ATOM 117 CG LYS A 316 10.537 -7.775 3.730 1.00 0.44 C ATOM 118 CD LYS A 316 11.053 -9.088 4.296 1.00 0.55 C ATOM 119 CE LYS A 316 12.215 -9.631 3.482 1.00 0.67 C ATOM 120 NZ LYS A 316 12.792 -10.858 4.089 1.00 1.44 N ATOM 0 H LYS A 316 7.551 -6.577 2.553 1.00 0.25 H new ATOM 0 HA LYS A 316 10.310 -5.937 1.677 1.00 0.28 H new ATOM 0 HB2 LYS A 316 9.133 -8.651 2.370 1.00 0.34 H new ATOM 0 HB3 LYS A 316 10.721 -8.379 1.683 1.00 0.34 H new ATOM 0 HG2 LYS A 316 11.349 -7.048 3.702 1.00 0.44 H new ATOM 0 HG3 LYS A 316 9.770 -7.372 4.391 1.00 0.44 H new ATOM 0 HD2 LYS A 316 11.369 -8.940 5.329 1.00 0.55 H new ATOM 0 HD3 LYS A 316 10.246 -9.820 4.312 1.00 0.55 H new ATOM 0 HE2 LYS A 316 11.877 -9.851 2.469 1.00 0.67 H new ATOM 0 HE3 LYS A 316 12.989 -8.868 3.401 1.00 0.67 H new ATOM 0 HZ1 LYS A 316 13.582 -11.197 3.503 1.00 1.44 H new ATOM 0 HZ2 LYS A 316 13.138 -10.642 5.046 1.00 1.44 H new ATOM 0 HZ3 LYS A 316 12.061 -11.595 4.143 1.00 1.44 H new ATOM 134 N GLU A 317 9.567 -6.158 -0.648 1.00 0.32 N ATOM 135 CA GLU A 317 9.151 -6.217 -2.042 1.00 0.37 C ATOM 136 C GLU A 317 9.912 -7.308 -2.781 1.00 0.45 C ATOM 137 O GLU A 317 11.143 -7.351 -2.741 1.00 0.48 O ATOM 138 CB GLU A 317 9.410 -4.873 -2.725 1.00 0.39 C ATOM 139 CG GLU A 317 8.948 -3.679 -1.910 1.00 0.41 C ATOM 140 CD GLU A 317 9.198 -2.356 -2.601 1.00 0.49 C ATOM 141 OE1 GLU A 317 10.248 -2.216 -3.252 1.00 0.70 O ATOM 142 OE2 GLU A 317 8.340 -1.450 -2.519 1.00 0.61 O ATOM 0 H GLU A 317 10.355 -5.534 -0.474 1.00 0.32 H new ATOM 0 HA GLU A 317 8.085 -6.443 -2.070 1.00 0.37 H new ATOM 0 HB2 GLU A 317 10.477 -4.776 -2.924 1.00 0.39 H new ATOM 0 HB3 GLU A 317 8.903 -4.862 -3.690 1.00 0.39 H new ATOM 0 HG2 GLU A 317 7.882 -3.778 -1.703 1.00 0.41 H new ATOM 0 HG3 GLU A 317 9.461 -3.683 -0.948 1.00 0.41 H new ATOM 275 N LEU A 325 14.348 -10.417 -1.297 1.00 0.61 N ATOM 276 CA LEU A 325 13.241 -9.507 -1.049 1.00 0.49 C ATOM 277 C LEU A 325 13.773 -8.191 -0.496 1.00 0.45 C ATOM 278 O LEU A 325 14.576 -8.178 0.438 1.00 0.55 O ATOM 279 CB LEU A 325 12.219 -10.113 -0.076 1.00 0.47 C ATOM 280 CG LEU A 325 11.308 -11.207 -0.650 1.00 0.53 C ATOM 281 CD1 LEU A 325 12.077 -12.497 -0.892 1.00 0.69 C ATOM 282 CD2 LEU A 325 10.132 -11.455 0.281 1.00 0.56 C ATOM 0 HA LEU A 325 12.731 -9.328 -1.996 1.00 0.49 H new ATOM 0 HB2 LEU A 325 12.759 -10.528 0.775 1.00 0.47 H new ATOM 0 HB3 LEU A 325 11.591 -9.309 0.307 1.00 0.47 H new ATOM 0 HG LEU A 325 10.930 -10.860 -1.612 1.00 0.53 H new ATOM 0 HD11 LEU A 325 11.403 -13.251 -1.298 1.00 0.69 H new ATOM 0 HD12 LEU A 325 12.884 -12.312 -1.601 1.00 0.69 H new ATOM 0 HD13 LEU A 325 12.495 -12.853 0.049 1.00 0.69 H new ATOM 0 HD21 LEU A 325 9.494 -12.233 -0.138 1.00 0.56 H new ATOM 0 HD22 LEU A 325 10.501 -11.774 1.256 1.00 0.56 H new ATOM 0 HD23 LEU A 325 9.557 -10.536 0.394 1.00 0.56 H new ATOM 294 N VAL A 326 13.326 -7.093 -1.078 1.00 0.40 N ATOM 295 CA VAL A 326 13.842 -5.780 -0.736 1.00 0.38 C ATOM 296 C VAL A 326 13.016 -5.133 0.368 1.00 0.32 C ATOM 297 O VAL A 326 11.814 -4.918 0.207 1.00 0.29 O ATOM 298 CB VAL A 326 13.848 -4.853 -1.967 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.563 -3.549 -1.657 1.00 0.45 C ATOM 300 CG2 VAL A 326 14.489 -5.549 -3.157 1.00 0.51 C ATOM 0 H VAL A 326 12.601 -7.085 -1.795 1.00 0.40 H new ATOM 0 HA VAL A 326 14.864 -5.919 -0.382 1.00 0.38 H new ATOM 0 HB VAL A 326 12.815 -4.619 -2.223 1.00 0.42 H new ATOM 0 HG11 VAL A 326 14.555 -2.911 -2.540 1.00 0.45 H new ATOM 0 HG12 VAL A 326 14.054 -3.041 -0.838 1.00 0.45 H new ATOM 0 HG13 VAL A 326 15.594 -3.758 -1.370 1.00 0.45 H new ATOM 0 HG21 VAL A 326 14.484 -4.879 -4.017 1.00 0.51 H new ATOM 0 HG22 VAL A 326 15.517 -5.817 -2.912 1.00 0.51 H new ATOM 0 HG23 VAL A 326 13.926 -6.451 -3.397 1.00 0.51 H new ATOM 310 N PRO A 327 13.646 -4.829 1.510 1.00 0.33 N ATOM 311 CA PRO A 327 12.993 -4.104 2.601 1.00 0.30 C ATOM 312 C PRO A 327 12.602 -2.691 2.178 1.00 0.25 C ATOM 313 O PRO A 327 13.451 -1.896 1.761 1.00 0.32 O ATOM 314 CB PRO A 327 14.057 -4.061 3.705 1.00 0.39 C ATOM 315 CG PRO A 327 15.045 -5.115 3.338 1.00 0.46 C ATOM 316 CD PRO A 327 15.034 -5.180 1.840 1.00 0.42 C ATOM 0 HA PRO A 327 12.067 -4.584 2.918 1.00 0.30 H new ATOM 0 HB2 PRO A 327 14.529 -3.080 3.758 1.00 0.39 H new ATOM 0 HB3 PRO A 327 13.618 -4.257 4.683 1.00 0.39 H new ATOM 0 HG2 PRO A 327 16.039 -4.867 3.712 1.00 0.46 H new ATOM 0 HG3 PRO A 327 14.772 -6.076 3.773 1.00 0.46 H new ATOM 0 HD2 PRO A 327 15.744 -4.480 1.399 1.00 0.42 H new ATOM 0 HD3 PRO A 327 15.298 -6.173 1.476 1.00 0.42 H new ATOM 324 N ARG A 328 11.318 -2.392 2.268 1.00 0.21 N ATOM 325 CA ARG A 328 10.798 -1.102 1.858 1.00 0.23 C ATOM 326 C ARG A 328 10.003 -0.477 2.997 1.00 0.20 C ATOM 327 O ARG A 328 9.324 -1.178 3.750 1.00 0.23 O ATOM 328 CB ARG A 328 9.896 -1.267 0.628 1.00 0.32 C ATOM 329 CG ARG A 328 9.543 0.042 -0.069 1.00 0.50 C ATOM 330 CD ARG A 328 10.770 0.670 -0.706 1.00 0.56 C ATOM 331 NE ARG A 328 11.372 -0.196 -1.722 1.00 0.47 N ATOM 332 CZ ARG A 328 12.656 -0.153 -2.067 1.00 0.58 C ATOM 333 NH1 ARG A 328 13.483 0.664 -1.432 1.00 0.78 N ATOM 334 NH2 ARG A 328 13.117 -0.933 -3.035 1.00 0.65 N ATOM 0 H ARG A 328 10.611 -3.034 2.626 1.00 0.21 H new ATOM 0 HA ARG A 328 11.633 -0.450 1.604 1.00 0.23 H new ATOM 0 HB2 ARG A 328 10.392 -1.924 -0.087 1.00 0.32 H new ATOM 0 HB3 ARG A 328 8.975 -1.764 0.931 1.00 0.32 H new ATOM 0 HG2 ARG A 328 8.787 -0.141 -0.832 1.00 0.50 H new ATOM 0 HG3 ARG A 328 9.108 0.735 0.651 1.00 0.50 H new ATOM 0 HD2 ARG A 328 10.494 1.622 -1.160 1.00 0.56 H new ATOM 0 HD3 ARG A 328 11.507 0.887 0.067 1.00 0.56 H new ATOM 0 HE ARG A 328 10.771 -0.872 -2.193 1.00 0.47 H new ATOM 0 HH11 ARG A 328 13.135 1.259 -0.680 1.00 0.78 H new ATOM 0 HH12 ARG A 328 14.468 0.698 -1.695 1.00 0.78 H new ATOM 0 HH21 ARG A 328 12.486 -1.571 -3.520 1.00 0.65 H new ATOM 0 HH22 ARG A 328 14.103 -0.895 -3.295 1.00 0.65 H new ATOM 348 N LEU A 329 10.110 0.830 3.135 1.00 0.18 N ATOM 349 CA LEU A 329 9.300 1.562 4.087 1.00 0.20 C ATOM 350 C LEU A 329 8.038 2.056 3.407 1.00 0.19 C ATOM 351 O LEU A 329 8.075 2.998 2.612 1.00 0.24 O ATOM 352 CB LEU A 329 10.081 2.742 4.668 1.00 0.25 C ATOM 353 CG LEU A 329 11.175 2.369 5.665 1.00 0.31 C ATOM 354 CD1 LEU A 329 11.981 3.597 6.048 1.00 0.37 C ATOM 355 CD2 LEU A 329 10.562 1.729 6.902 1.00 0.36 C ATOM 0 H LEU A 329 10.754 1.409 2.596 1.00 0.18 H new ATOM 0 HA LEU A 329 9.032 0.894 4.906 1.00 0.20 H new ATOM 0 HB2 LEU A 329 10.534 3.297 3.847 1.00 0.25 H new ATOM 0 HB3 LEU A 329 9.379 3.416 5.159 1.00 0.25 H new ATOM 0 HG LEU A 329 11.845 1.649 5.196 1.00 0.31 H new ATOM 0 HD11 LEU A 329 12.757 3.315 6.759 1.00 0.37 H new ATOM 0 HD12 LEU A 329 12.443 4.022 5.157 1.00 0.37 H new ATOM 0 HD13 LEU A 329 11.323 4.337 6.503 1.00 0.37 H new ATOM 0 HD21 LEU A 329 11.352 1.467 7.606 1.00 0.36 H new ATOM 0 HD22 LEU A 329 9.875 2.432 7.373 1.00 0.36 H new ATOM 0 HD23 LEU A 329 10.019 0.828 6.615 1.00 0.36 H new ATOM 367 N LEU A 330 6.933 1.393 3.689 1.00 0.17 N ATOM 368 CA LEU A 330 5.662 1.772 3.111 1.00 0.17 C ATOM 369 C LEU A 330 5.045 2.901 3.923 1.00 0.18 C ATOM 370 O LEU A 330 4.515 2.681 5.014 1.00 0.24 O ATOM 371 CB LEU A 330 4.717 0.572 3.049 1.00 0.22 C ATOM 372 CG LEU A 330 3.393 0.826 2.324 1.00 0.26 C ATOM 373 CD1 LEU A 330 3.647 1.279 0.894 1.00 0.57 C ATOM 374 CD2 LEU A 330 2.531 -0.427 2.340 1.00 0.49 C ATOM 0 H LEU A 330 6.892 0.589 4.315 1.00 0.17 H new ATOM 0 HA LEU A 330 5.828 2.120 2.092 1.00 0.17 H new ATOM 0 HB2 LEU A 330 5.232 -0.251 2.554 1.00 0.22 H new ATOM 0 HB3 LEU A 330 4.500 0.247 4.067 1.00 0.22 H new ATOM 0 HG LEU A 330 2.859 1.620 2.847 1.00 0.26 H new ATOM 0 HD11 LEU A 330 2.695 1.455 0.394 1.00 0.57 H new ATOM 0 HD12 LEU A 330 4.228 2.201 0.902 1.00 0.57 H new ATOM 0 HD13 LEU A 330 4.200 0.506 0.360 1.00 0.57 H new ATOM 0 HD21 LEU A 330 1.593 -0.230 1.821 1.00 0.49 H new ATOM 0 HD22 LEU A 330 3.059 -1.239 1.840 1.00 0.49 H new ATOM 0 HD23 LEU A 330 2.322 -0.712 3.371 1.00 0.49 H new ATOM 386 N GLY A 331 5.153 4.108 3.400 1.00 0.18 N ATOM 387 CA GLY A 331 4.635 5.264 4.089 1.00 0.22 C ATOM 388 C GLY A 331 3.174 5.486 3.794 1.00 0.22 C ATOM 389 O GLY A 331 2.800 5.796 2.663 1.00 0.29 O ATOM 0 H GLY A 331 5.594 4.308 2.502 1.00 0.18 H new ATOM 0 HA2 GLY A 331 4.774 5.139 5.163 1.00 0.22 H new ATOM 0 HA3 GLY A 331 5.203 6.147 3.795 1.00 0.22 H new ATOM 393 N ILE A 332 2.346 5.308 4.805 1.00 0.22 N ATOM 394 CA ILE A 332 0.923 5.522 4.656 1.00 0.22 C ATOM 395 C ILE A 332 0.529 6.810 5.359 1.00 0.24 C ATOM 396 O ILE A 332 0.553 6.884 6.586 1.00 0.36 O ATOM 397 CB ILE A 332 0.104 4.347 5.239 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.551 3.014 4.627 1.00 0.27 C ATOM 399 CG2 ILE A 332 -1.385 4.568 5.003 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.364 2.933 3.127 1.00 0.27 C ATOM 0 H ILE A 332 2.636 5.016 5.738 1.00 0.22 H new ATOM 0 HA ILE A 332 0.703 5.590 3.591 1.00 0.22 H new ATOM 0 HB ILE A 332 0.284 4.306 6.313 1.00 0.26 H new ATOM 0 HG12 ILE A 332 1.603 2.853 4.861 1.00 0.27 H new ATOM 0 HG13 ILE A 332 -0.008 2.204 5.097 1.00 0.27 H new ATOM 0 HG21 ILE A 332 -1.947 3.732 5.419 1.00 0.28 H new ATOM 0 HG22 ILE A 332 -1.697 5.493 5.488 1.00 0.28 H new ATOM 0 HG23 ILE A 332 -1.577 4.637 3.932 1.00 0.28 H new ATOM 0 HD11 ILE A 332 0.703 1.961 2.770 1.00 0.27 H new ATOM 0 HD12 ILE A 332 -0.691 3.061 2.884 1.00 0.27 H new ATOM 0 HD13 ILE A 332 0.945 3.719 2.645 1.00 0.27 H new ATOM 412 N THR A 333 0.197 7.829 4.584 1.00 0.22 N ATOM 413 CA THR A 333 -0.165 9.115 5.154 1.00 0.23 C ATOM 414 C THR A 333 -1.609 9.464 4.829 1.00 0.23 C ATOM 415 O THR A 333 -2.250 8.804 4.010 1.00 0.28 O ATOM 416 CB THR A 333 0.762 10.243 4.651 1.00 0.26 C ATOM 417 OG1 THR A 333 0.718 10.323 3.221 1.00 0.34 O ATOM 418 CG2 THR A 333 2.196 10.012 5.105 1.00 0.38 C ATOM 0 H THR A 333 0.171 7.791 3.565 1.00 0.22 H new ATOM 0 HA THR A 333 -0.049 9.029 6.234 1.00 0.23 H new ATOM 0 HB THR A 333 0.408 11.182 5.076 1.00 0.26 H new ATOM 0 HG1 THR A 333 0.883 9.436 2.839 1.00 0.34 H new ATOM 0 HG21 THR A 333 2.829 10.820 4.738 1.00 0.38 H new ATOM 0 HG22 THR A 333 2.233 9.988 6.194 1.00 0.38 H new ATOM 0 HG23 THR A 333 2.555 9.062 4.709 1.00 0.38 H new ATOM 426 N LYS A 334 -2.105 10.516 5.464 1.00 0.26 N ATOM 427 CA LYS A 334 -3.480 10.975 5.284 1.00 0.28 C ATOM 428 C LYS A 334 -3.698 11.616 3.914 1.00 0.26 C ATOM 429 O LYS A 334 -4.760 12.181 3.648 1.00 0.43 O ATOM 430 CB LYS A 334 -3.828 11.991 6.375 1.00 0.38 C ATOM 431 CG LYS A 334 -2.900 13.199 6.394 1.00 0.47 C ATOM 432 CD LYS A 334 -3.340 14.227 7.421 1.00 0.63 C ATOM 433 CE LYS A 334 -2.359 15.387 7.511 1.00 0.89 C ATOM 434 NZ LYS A 334 -2.210 16.105 6.216 1.00 1.61 N ATOM 0 H LYS A 334 -1.565 11.079 6.121 1.00 0.26 H new ATOM 0 HA LYS A 334 -4.129 10.102 5.353 1.00 0.28 H new ATOM 0 HB2 LYS A 334 -4.853 12.332 6.230 1.00 0.38 H new ATOM 0 HB3 LYS A 334 -3.790 11.498 7.346 1.00 0.38 H new ATOM 0 HG2 LYS A 334 -1.884 12.874 6.616 1.00 0.47 H new ATOM 0 HG3 LYS A 334 -2.879 13.658 5.405 1.00 0.47 H new ATOM 0 HD2 LYS A 334 -4.328 14.605 7.158 1.00 0.63 H new ATOM 0 HD3 LYS A 334 -3.431 13.751 8.397 1.00 0.63 H new ATOM 0 HE2 LYS A 334 -2.697 16.087 8.275 1.00 0.89 H new ATOM 0 HE3 LYS A 334 -1.386 15.013 7.830 1.00 0.89 H new ATOM 0 HZ1 LYS A 334 -1.968 17.100 6.397 1.00 1.61 H new ATOM 0 HZ2 LYS A 334 -1.453 15.661 5.658 1.00 1.61 H new ATOM 0 HZ3 LYS A 334 -3.104 16.056 5.687 1.00 1.61 H new ATOM 448 N GLU A 335 -2.706 11.519 3.046 1.00 0.27 N ATOM 449 CA GLU A 335 -2.744 12.230 1.779 1.00 0.33 C ATOM 450 C GLU A 335 -2.110 11.429 0.642 1.00 0.27 C ATOM 451 O GLU A 335 -2.470 11.614 -0.521 1.00 0.34 O ATOM 452 CB GLU A 335 -2.049 13.580 1.949 1.00 0.46 C ATOM 453 CG GLU A 335 -0.714 13.481 2.667 1.00 0.56 C ATOM 454 CD GLU A 335 -0.235 14.813 3.195 1.00 0.85 C ATOM 455 OE1 GLU A 335 0.469 15.532 2.456 1.00 1.04 O ATOM 456 OE2 GLU A 335 -0.557 15.146 4.354 1.00 1.79 O ATOM 0 H GLU A 335 -1.867 10.957 3.194 1.00 0.27 H new ATOM 0 HA GLU A 335 -3.787 12.381 1.501 1.00 0.33 H new ATOM 0 HB2 GLU A 335 -1.894 14.027 0.967 1.00 0.46 H new ATOM 0 HB3 GLU A 335 -2.704 14.251 2.505 1.00 0.46 H new ATOM 0 HG2 GLU A 335 -0.803 12.777 3.495 1.00 0.56 H new ATOM 0 HG3 GLU A 335 0.032 13.076 1.983 1.00 0.56 H new ATOM 463 N CYS A 336 -1.181 10.534 0.963 1.00 0.23 N ATOM 464 CA CYS A 336 -0.473 9.792 -0.073 1.00 0.24 C ATOM 465 C CYS A 336 0.173 8.515 0.469 1.00 0.21 C ATOM 466 O CYS A 336 0.217 8.284 1.679 1.00 0.28 O ATOM 467 CB CYS A 336 0.591 10.692 -0.706 1.00 0.32 C ATOM 468 SG CYS A 336 1.595 11.596 0.496 1.00 1.10 S ATOM 0 H CYS A 336 -0.904 10.307 1.918 1.00 0.23 H new ATOM 0 HA CYS A 336 -1.202 9.489 -0.825 1.00 0.24 H new ATOM 0 HB2 CYS A 336 1.247 10.081 -1.327 1.00 0.32 H new ATOM 0 HB3 CYS A 336 0.101 11.407 -1.367 1.00 0.32 H new ATOM 0 HG CYS A 336 1.330 11.166 1.694 1.00 1.10 H new ATOM 474 N VAL A 337 0.657 7.688 -0.447 1.00 0.22 N ATOM 475 CA VAL A 337 1.384 6.471 -0.107 1.00 0.21 C ATOM 476 C VAL A 337 2.758 6.497 -0.770 1.00 0.19 C ATOM 477 O VAL A 337 2.862 6.472 -1.996 1.00 0.22 O ATOM 478 CB VAL A 337 0.620 5.203 -0.562 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.431 3.949 -0.273 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.741 5.122 0.111 1.00 0.32 C ATOM 0 H VAL A 337 0.557 7.842 -1.450 1.00 0.22 H new ATOM 0 HA VAL A 337 1.487 6.434 0.977 1.00 0.21 H new ATOM 0 HB VAL A 337 0.467 5.272 -1.639 1.00 0.26 H new ATOM 0 HG11 VAL A 337 0.874 3.072 -0.601 1.00 0.27 H new ATOM 0 HG12 VAL A 337 2.379 3.998 -0.808 1.00 0.27 H new ATOM 0 HG13 VAL A 337 1.622 3.878 0.798 1.00 0.27 H new ATOM 0 HG21 VAL A 337 -1.259 4.224 -0.224 1.00 0.32 H new ATOM 0 HG22 VAL A 337 -0.610 5.084 1.192 1.00 0.32 H new ATOM 0 HG23 VAL A 337 -1.330 6.000 -0.153 1.00 0.32 H new ATOM 490 N MET A 338 3.805 6.566 0.034 1.00 0.17 N ATOM 491 CA MET A 338 5.157 6.686 -0.496 1.00 0.17 C ATOM 492 C MET A 338 5.987 5.437 -0.216 1.00 0.16 C ATOM 493 O MET A 338 5.886 4.831 0.848 1.00 0.20 O ATOM 494 CB MET A 338 5.866 7.918 0.086 1.00 0.22 C ATOM 495 CG MET A 338 5.964 7.927 1.607 1.00 0.24 C ATOM 496 SD MET A 338 4.451 8.493 2.410 1.00 1.08 S ATOM 497 CE MET A 338 4.366 10.172 1.801 1.00 0.62 C ATOM 0 H MET A 338 3.748 6.541 1.052 1.00 0.17 H new ATOM 0 HA MET A 338 5.066 6.801 -1.576 1.00 0.17 H new ATOM 0 HB2 MET A 338 6.871 7.975 -0.331 1.00 0.22 H new ATOM 0 HB3 MET A 338 5.336 8.814 -0.237 1.00 0.22 H new ATOM 0 HG2 MET A 338 6.199 6.922 1.956 1.00 0.24 H new ATOM 0 HG3 MET A 338 6.791 8.570 1.908 1.00 0.24 H new ATOM 0 HE1 MET A 338 3.653 10.740 2.398 1.00 0.62 H new ATOM 0 HE2 MET A 338 5.350 10.635 1.873 1.00 0.62 H new ATOM 0 HE3 MET A 338 4.043 10.166 0.760 1.00 0.62 H new ATOM 507 N ARG A 339 6.801 5.055 -1.189 1.00 0.16 N ATOM 508 CA ARG A 339 7.749 3.965 -1.020 1.00 0.17 C ATOM 509 C ARG A 339 9.125 4.516 -0.689 1.00 0.16 C ATOM 510 O ARG A 339 9.829 5.026 -1.564 1.00 0.18 O ATOM 511 CB ARG A 339 7.825 3.105 -2.282 1.00 0.22 C ATOM 512 CG ARG A 339 6.615 2.214 -2.480 1.00 0.27 C ATOM 513 CD ARG A 339 6.689 1.445 -3.787 1.00 0.31 C ATOM 514 NE ARG A 339 7.899 0.642 -3.915 1.00 0.73 N ATOM 515 CZ ARG A 339 8.732 0.707 -4.948 1.00 1.03 C ATOM 516 NH1 ARG A 339 8.519 1.580 -5.925 1.00 1.15 N ATOM 517 NH2 ARG A 339 9.767 -0.117 -5.009 1.00 1.55 N ATOM 0 H ARG A 339 6.823 5.489 -2.112 1.00 0.16 H new ATOM 0 HA ARG A 339 7.403 3.340 -0.197 1.00 0.17 H new ATOM 0 HB2 ARG A 339 7.933 3.756 -3.150 1.00 0.22 H new ATOM 0 HB3 ARG A 339 8.720 2.484 -2.236 1.00 0.22 H new ATOM 0 HG2 ARG A 339 6.540 1.512 -1.649 1.00 0.27 H new ATOM 0 HG3 ARG A 339 5.710 2.822 -2.466 1.00 0.27 H new ATOM 0 HD2 ARG A 339 5.819 0.794 -3.867 1.00 0.31 H new ATOM 0 HD3 ARG A 339 6.638 2.149 -4.618 1.00 0.31 H new ATOM 0 HE ARG A 339 8.120 -0.011 -3.164 1.00 0.73 H new ATOM 0 HH11 ARG A 339 7.713 2.204 -5.884 1.00 1.15 H new ATOM 0 HH12 ARG A 339 9.161 1.627 -6.716 1.00 1.15 H new ATOM 0 HH21 ARG A 339 9.922 -0.797 -4.265 1.00 1.55 H new ATOM 0 HH22 ARG A 339 10.409 -0.071 -5.800 1.00 1.55 H new ATOM 531 N VAL A 340 9.490 4.433 0.576 1.00 0.18 N ATOM 532 CA VAL A 340 10.778 4.918 1.035 1.00 0.22 C ATOM 533 C VAL A 340 11.753 3.756 1.173 1.00 0.24 C ATOM 534 O VAL A 340 11.378 2.678 1.630 1.00 0.24 O ATOM 535 CB VAL A 340 10.637 5.648 2.390 1.00 0.25 C ATOM 536 CG1 VAL A 340 11.978 6.167 2.884 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.634 6.786 2.276 1.00 0.28 C ATOM 0 H VAL A 340 8.907 4.031 1.310 1.00 0.18 H new ATOM 0 HA VAL A 340 11.161 5.625 0.299 1.00 0.22 H new ATOM 0 HB VAL A 340 10.271 4.928 3.121 1.00 0.25 H new ATOM 0 HG11 VAL A 340 11.842 6.675 3.839 1.00 0.31 H new ATOM 0 HG12 VAL A 340 12.667 5.332 3.012 1.00 0.31 H new ATOM 0 HG13 VAL A 340 12.388 6.867 2.156 1.00 0.31 H new ATOM 0 HG21 VAL A 340 9.545 7.291 3.238 1.00 0.28 H new ATOM 0 HG22 VAL A 340 9.974 7.497 1.523 1.00 0.28 H new ATOM 0 HG23 VAL A 340 8.662 6.387 1.985 1.00 0.28 H new ATOM 547 N ASP A 341 12.993 3.956 0.751 1.00 0.30 N ATOM 548 CA ASP A 341 14.003 2.917 0.887 1.00 0.36 C ATOM 549 C ASP A 341 14.364 2.736 2.358 1.00 0.38 C ATOM 550 O ASP A 341 14.487 3.711 3.095 1.00 0.41 O ATOM 551 CB ASP A 341 15.253 3.244 0.070 1.00 0.46 C ATOM 552 CG ASP A 341 16.226 2.082 0.037 1.00 0.55 C ATOM 553 OD1 ASP A 341 17.004 1.930 0.996 1.00 0.77 O ATOM 554 OD2 ASP A 341 16.196 1.302 -0.936 1.00 0.67 O ATOM 0 H ASP A 341 13.322 4.818 0.316 1.00 0.30 H new ATOM 0 HA ASP A 341 13.588 1.986 0.500 1.00 0.36 H new ATOM 0 HB2 ASP A 341 14.964 3.504 -0.948 1.00 0.46 H new ATOM 0 HB3 ASP A 341 15.746 4.118 0.495 1.00 0.46 H new ATOM 559 N GLU A 342 14.533 1.491 2.775 1.00 0.42 N ATOM 560 CA GLU A 342 14.727 1.170 4.183 1.00 0.47 C ATOM 561 C GLU A 342 16.086 1.656 4.689 1.00 0.60 C ATOM 562 O GLU A 342 16.215 2.076 5.836 1.00 0.72 O ATOM 563 CB GLU A 342 14.603 -0.343 4.381 1.00 0.49 C ATOM 564 CG GLU A 342 13.856 -0.751 5.641 1.00 0.60 C ATOM 565 CD GLU A 342 14.562 -0.341 6.916 1.00 0.95 C ATOM 566 OE1 GLU A 342 15.574 -0.980 7.275 1.00 1.51 O ATOM 567 OE2 GLU A 342 14.112 0.628 7.562 1.00 1.36 O ATOM 0 H GLU A 342 14.540 0.681 2.155 1.00 0.42 H new ATOM 0 HA GLU A 342 13.958 1.683 4.760 1.00 0.47 H new ATOM 0 HB2 GLU A 342 14.094 -0.770 3.517 1.00 0.49 H new ATOM 0 HB3 GLU A 342 15.603 -0.777 4.409 1.00 0.49 H new ATOM 0 HG2 GLU A 342 12.861 -0.305 5.625 1.00 0.60 H new ATOM 0 HG3 GLU A 342 13.721 -1.833 5.641 1.00 0.60 H new ATOM 574 N LYS A 343 17.092 1.619 3.827 1.00 0.69 N ATOM 575 CA LYS A 343 18.452 1.947 4.237 1.00 0.87 C ATOM 576 C LYS A 343 18.866 3.329 3.737 1.00 0.79 C ATOM 577 O LYS A 343 19.553 4.071 4.440 1.00 0.86 O ATOM 578 CB LYS A 343 19.418 0.872 3.734 1.00 1.08 C ATOM 579 CG LYS A 343 19.355 0.687 2.238 1.00 1.36 C ATOM 580 CD LYS A 343 19.769 -0.707 1.813 1.00 1.63 C ATOM 581 CE LYS A 343 19.582 -0.897 0.319 1.00 2.26 C ATOM 582 NZ LYS A 343 18.196 -0.569 -0.117 1.00 3.06 N ATOM 0 H LYS A 343 16.994 1.367 2.844 1.00 0.69 H new ATOM 0 HA LYS A 343 18.487 1.973 5.326 1.00 0.87 H new ATOM 0 HB2 LYS A 343 20.435 1.140 4.020 1.00 1.08 H new ATOM 0 HB3 LYS A 343 19.188 -0.075 4.223 1.00 1.08 H new ATOM 0 HG2 LYS A 343 18.340 0.883 1.892 1.00 1.36 H new ATOM 0 HG3 LYS A 343 20.003 1.419 1.756 1.00 1.36 H new ATOM 0 HD2 LYS A 343 20.813 -0.877 2.077 1.00 1.63 H new ATOM 0 HD3 LYS A 343 19.179 -1.447 2.354 1.00 1.63 H new ATOM 0 HE2 LYS A 343 20.290 -0.265 -0.218 1.00 2.26 H new ATOM 0 HE3 LYS A 343 19.811 -1.929 0.054 1.00 2.26 H new ATOM 0 HZ1 LYS A 343 17.909 -1.217 -0.878 1.00 3.06 H new ATOM 0 HZ2 LYS A 343 17.546 -0.670 0.688 1.00 3.06 H new ATOM 0 HZ3 LYS A 343 18.165 0.410 -0.467 1.00 3.06 H new ATOM 596 N THR A 344 18.444 3.676 2.528 1.00 0.73 N ATOM 597 CA THR A 344 18.767 4.974 1.952 1.00 0.72 C ATOM 598 C THR A 344 17.837 6.055 2.508 1.00 0.63 C ATOM 599 O THR A 344 18.197 7.234 2.566 1.00 0.67 O ATOM 600 CB THR A 344 18.664 4.929 0.414 1.00 0.80 C ATOM 601 OG1 THR A 344 19.360 3.776 -0.083 1.00 0.92 O ATOM 602 CG2 THR A 344 19.256 6.181 -0.213 1.00 0.92 C ATOM 0 H THR A 344 17.877 3.077 1.928 1.00 0.73 H new ATOM 0 HA THR A 344 19.793 5.219 2.225 1.00 0.72 H new ATOM 0 HB THR A 344 17.609 4.873 0.146 1.00 0.80 H new ATOM 0 HG1 THR A 344 18.840 2.969 0.115 1.00 0.92 H new ATOM 0 HG21 THR A 344 19.169 6.121 -1.298 1.00 0.92 H new ATOM 0 HG22 THR A 344 18.717 7.058 0.146 1.00 0.92 H new ATOM 0 HG23 THR A 344 20.307 6.264 0.063 1.00 0.92 H new ATOM 610 N LYS A 345 16.643 5.629 2.926 1.00 0.55 N ATOM 611 CA LYS A 345 15.643 6.516 3.529 1.00 0.52 C ATOM 612 C LYS A 345 15.145 7.568 2.536 1.00 0.53 C ATOM 613 O LYS A 345 14.642 8.618 2.935 1.00 0.61 O ATOM 614 CB LYS A 345 16.204 7.196 4.784 1.00 0.61 C ATOM 615 CG LYS A 345 16.635 6.228 5.876 1.00 0.63 C ATOM 616 CD LYS A 345 15.471 5.395 6.389 1.00 0.62 C ATOM 617 CE LYS A 345 15.885 4.532 7.572 1.00 0.71 C ATOM 618 NZ LYS A 345 14.777 3.658 8.035 1.00 1.50 N ATOM 0 H LYS A 345 16.341 4.657 2.856 1.00 0.55 H new ATOM 0 HA LYS A 345 14.793 5.897 3.814 1.00 0.52 H new ATOM 0 HB2 LYS A 345 17.059 7.810 4.500 1.00 0.61 H new ATOM 0 HB3 LYS A 345 15.448 7.869 5.188 1.00 0.61 H new ATOM 0 HG2 LYS A 345 17.411 5.568 5.490 1.00 0.63 H new ATOM 0 HG3 LYS A 345 17.074 6.786 6.703 1.00 0.63 H new ATOM 0 HD2 LYS A 345 14.654 6.053 6.685 1.00 0.62 H new ATOM 0 HD3 LYS A 345 15.095 4.760 5.587 1.00 0.62 H new ATOM 0 HE2 LYS A 345 16.740 3.917 7.291 1.00 0.71 H new ATOM 0 HE3 LYS A 345 16.209 5.172 8.392 1.00 0.71 H new ATOM 0 HZ1 LYS A 345 15.032 3.227 8.947 1.00 1.50 H new ATOM 0 HZ2 LYS A 345 13.913 4.225 8.150 1.00 1.50 H new ATOM 0 HZ3 LYS A 345 14.609 2.909 7.333 1.00 1.50 H new ATOM 632 N GLU A 346 15.263 7.274 1.250 1.00 0.53 N ATOM 633 CA GLU A 346 14.787 8.181 0.216 1.00 0.58 C ATOM 634 C GLU A 346 13.469 7.687 -0.366 1.00 0.44 C ATOM 635 O GLU A 346 13.207 6.483 -0.395 1.00 0.42 O ATOM 636 CB GLU A 346 15.826 8.328 -0.896 1.00 0.77 C ATOM 637 CG GLU A 346 17.086 9.056 -0.461 1.00 0.95 C ATOM 638 CD GLU A 346 16.797 10.446 0.066 1.00 1.61 C ATOM 639 OE1 GLU A 346 15.972 11.159 -0.542 1.00 1.81 O ATOM 640 OE2 GLU A 346 17.407 10.845 1.078 1.00 2.46 O ATOM 0 H GLU A 346 15.684 6.415 0.897 1.00 0.53 H new ATOM 0 HA GLU A 346 14.625 9.157 0.673 1.00 0.58 H new ATOM 0 HB2 GLU A 346 16.097 7.337 -1.261 1.00 0.77 H new ATOM 0 HB3 GLU A 346 15.377 8.864 -1.732 1.00 0.77 H new ATOM 0 HG2 GLU A 346 17.590 8.475 0.312 1.00 0.95 H new ATOM 0 HG3 GLU A 346 17.772 9.126 -1.305 1.00 0.95 H new ATOM 647 N VAL A 347 12.645 8.620 -0.822 1.00 0.39 N ATOM 648 CA VAL A 347 11.359 8.284 -1.414 1.00 0.33 C ATOM 649 C VAL A 347 11.534 7.968 -2.893 1.00 0.31 C ATOM 650 O VAL A 347 11.942 8.825 -3.678 1.00 0.42 O ATOM 651 CB VAL A 347 10.342 9.436 -1.256 1.00 0.41 C ATOM 652 CG1 VAL A 347 8.978 9.034 -1.800 1.00 0.54 C ATOM 653 CG2 VAL A 347 10.235 9.860 0.202 1.00 0.58 C ATOM 0 H VAL A 347 12.846 9.620 -0.793 1.00 0.39 H new ATOM 0 HA VAL A 347 10.972 7.411 -0.889 1.00 0.33 H new ATOM 0 HB VAL A 347 10.700 10.287 -1.836 1.00 0.41 H new ATOM 0 HG11 VAL A 347 8.279 9.861 -1.677 1.00 0.54 H new ATOM 0 HG12 VAL A 347 9.067 8.787 -2.858 1.00 0.54 H new ATOM 0 HG13 VAL A 347 8.610 8.165 -1.254 1.00 0.54 H new ATOM 0 HG21 VAL A 347 9.514 10.672 0.293 1.00 0.58 H new ATOM 0 HG22 VAL A 347 9.905 9.013 0.804 1.00 0.58 H new ATOM 0 HG23 VAL A 347 11.209 10.199 0.555 1.00 0.58 H new ATOM 663 N ILE A 348 11.236 6.736 -3.264 1.00 0.25 N ATOM 664 CA ILE A 348 11.402 6.291 -4.639 1.00 0.26 C ATOM 665 C ILE A 348 10.170 6.623 -5.471 1.00 0.26 C ATOM 666 O ILE A 348 10.276 7.140 -6.584 1.00 0.35 O ATOM 667 CB ILE A 348 11.653 4.769 -4.703 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.839 4.389 -3.813 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.899 4.325 -6.141 1.00 0.32 C ATOM 670 CD1 ILE A 348 13.082 2.900 -3.732 1.00 0.31 C ATOM 0 H ILE A 348 10.876 6.022 -2.631 1.00 0.25 H new ATOM 0 HA ILE A 348 12.266 6.816 -5.045 1.00 0.26 H new ATOM 0 HB ILE A 348 10.764 4.256 -4.335 1.00 0.27 H new ATOM 0 HG12 ILE A 348 13.738 4.875 -4.193 1.00 0.29 H new ATOM 0 HG13 ILE A 348 12.667 4.776 -2.809 1.00 0.29 H new ATOM 0 HG21 ILE A 348 12.074 3.249 -6.165 1.00 0.32 H new ATOM 0 HG22 ILE A 348 11.027 4.565 -6.750 1.00 0.32 H new ATOM 0 HG23 ILE A 348 12.772 4.843 -6.538 1.00 0.32 H new ATOM 0 HD11 ILE A 348 13.937 2.706 -3.085 1.00 0.31 H new ATOM 0 HD12 ILE A 348 12.199 2.409 -3.324 1.00 0.31 H new ATOM 0 HD13 ILE A 348 13.286 2.510 -4.729 1.00 0.31 H new ATOM 682 N GLN A 349 9.002 6.340 -4.916 1.00 0.23 N ATOM 683 CA GLN A 349 7.755 6.477 -5.651 1.00 0.23 C ATOM 684 C GLN A 349 6.618 6.806 -4.691 1.00 0.22 C ATOM 685 O GLN A 349 6.576 6.280 -3.581 1.00 0.29 O ATOM 686 CB GLN A 349 7.477 5.171 -6.396 1.00 0.28 C ATOM 687 CG GLN A 349 6.321 5.235 -7.374 1.00 0.40 C ATOM 688 CD GLN A 349 6.207 3.967 -8.196 1.00 0.86 C ATOM 689 OE1 GLN A 349 6.537 2.877 -7.724 1.00 1.65 O ATOM 690 NE2 GLN A 349 5.765 4.102 -9.434 1.00 0.81 N ATOM 0 H GLN A 349 8.892 6.013 -3.956 1.00 0.23 H new ATOM 0 HA GLN A 349 7.833 7.291 -6.371 1.00 0.23 H new ATOM 0 HB2 GLN A 349 8.377 4.878 -6.937 1.00 0.28 H new ATOM 0 HB3 GLN A 349 7.275 4.388 -5.666 1.00 0.28 H new ATOM 0 HG2 GLN A 349 5.392 5.399 -6.828 1.00 0.40 H new ATOM 0 HG3 GLN A 349 6.455 6.088 -8.039 1.00 0.40 H new ATOM 0 HE21 GLN A 349 5.503 5.023 -9.784 1.00 0.81 H new ATOM 0 HE22 GLN A 349 5.686 3.285 -10.039 1.00 0.81 H new ATOM 699 N GLU A 350 5.714 7.681 -5.109 1.00 0.23 N ATOM 700 CA GLU A 350 4.615 8.116 -4.255 1.00 0.25 C ATOM 701 C GLU A 350 3.297 8.096 -5.030 1.00 0.26 C ATOM 702 O GLU A 350 3.249 8.496 -6.196 1.00 0.36 O ATOM 703 CB GLU A 350 4.900 9.529 -3.731 1.00 0.30 C ATOM 704 CG GLU A 350 3.910 10.022 -2.687 1.00 0.36 C ATOM 705 CD GLU A 350 4.127 11.478 -2.328 1.00 0.45 C ATOM 706 OE1 GLU A 350 5.101 11.785 -1.609 1.00 0.65 O ATOM 707 OE2 GLU A 350 3.334 12.330 -2.784 1.00 0.60 O ATOM 0 H GLU A 350 5.719 8.105 -6.037 1.00 0.23 H new ATOM 0 HA GLU A 350 4.528 7.431 -3.412 1.00 0.25 H new ATOM 0 HB2 GLU A 350 5.902 9.549 -3.302 1.00 0.30 H new ATOM 0 HB3 GLU A 350 4.899 10.223 -4.572 1.00 0.30 H new ATOM 0 HG2 GLU A 350 2.895 9.890 -3.062 1.00 0.36 H new ATOM 0 HG3 GLU A 350 4.000 9.412 -1.788 1.00 0.36 H new ATOM 714 N TRP A 351 2.241 7.618 -4.385 1.00 0.23 N ATOM 715 CA TRP A 351 0.918 7.563 -4.997 1.00 0.26 C ATOM 716 C TRP A 351 -0.090 8.362 -4.182 1.00 0.25 C ATOM 717 O TRP A 351 0.056 8.506 -2.969 1.00 0.52 O ATOM 718 CB TRP A 351 0.424 6.120 -5.095 1.00 0.30 C ATOM 719 CG TRP A 351 1.258 5.238 -5.967 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.338 5.270 -7.327 1.00 0.38 C ATOM 721 CD2 TRP A 351 2.110 4.173 -5.538 1.00 0.30 C ATOM 722 NE1 TRP A 351 2.190 4.291 -7.773 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.676 3.603 -6.694 1.00 0.34 C ATOM 724 CE3 TRP A 351 2.450 3.644 -4.289 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.561 2.531 -6.635 1.00 0.38 C ATOM 726 CZ3 TRP A 351 3.328 2.582 -4.233 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.876 2.035 -5.400 1.00 0.39 C ATOM 0 H TRP A 351 2.275 7.260 -3.431 1.00 0.23 H new ATOM 0 HA TRP A 351 1.006 7.991 -5.996 1.00 0.26 H new ATOM 0 HB2 TRP A 351 0.390 5.692 -4.093 1.00 0.30 H new ATOM 0 HB3 TRP A 351 -0.598 6.124 -5.475 1.00 0.30 H new ATOM 0 HD1 TRP A 351 0.808 5.965 -7.962 1.00 0.38 H new ATOM 0 HE1 TRP A 351 2.423 4.106 -8.749 1.00 0.41 H new ATOM 0 HE3 TRP A 351 2.032 4.060 -3.384 1.00 0.35 H new ATOM 0 HZ2 TRP A 351 3.984 2.106 -7.533 1.00 0.38 H new ATOM 0 HZ3 TRP A 351 3.597 2.165 -3.274 1.00 0.40 H new ATOM 0 HH2 TRP A 351 4.562 1.204 -5.323 1.00 0.39 H new ATOM 738 N SER A 352 -1.107 8.874 -4.854 1.00 0.31 N ATOM 739 CA SER A 352 -2.202 9.557 -4.184 1.00 0.30 C ATOM 740 C SER A 352 -3.228 8.539 -3.686 1.00 0.26 C ATOM 741 O SER A 352 -3.373 7.464 -4.270 1.00 0.28 O ATOM 742 CB SER A 352 -2.870 10.538 -5.149 1.00 0.35 C ATOM 743 OG SER A 352 -1.905 11.349 -5.800 1.00 1.27 O ATOM 0 H SER A 352 -1.198 8.829 -5.869 1.00 0.31 H new ATOM 0 HA SER A 352 -1.807 10.108 -3.331 1.00 0.30 H new ATOM 0 HB2 SER A 352 -3.447 9.987 -5.891 1.00 0.35 H new ATOM 0 HB3 SER A 352 -3.572 11.169 -4.604 1.00 0.35 H new ATOM 0 HG SER A 352 -2.356 11.966 -6.413 1.00 1.27 H new ATOM 749 N LEU A 353 -3.950 8.883 -2.623 1.00 0.25 N ATOM 750 CA LEU A 353 -4.956 7.984 -2.058 1.00 0.24 C ATOM 751 C LEU A 353 -6.142 7.847 -3.005 1.00 0.23 C ATOM 752 O LEU A 353 -6.849 6.844 -2.998 1.00 0.23 O ATOM 753 CB LEU A 353 -5.441 8.491 -0.696 1.00 0.25 C ATOM 754 CG LEU A 353 -4.381 8.540 0.407 1.00 0.26 C ATOM 755 CD1 LEU A 353 -4.995 9.033 1.708 1.00 0.31 C ATOM 756 CD2 LEU A 353 -3.743 7.173 0.603 1.00 0.26 C ATOM 0 H LEU A 353 -3.859 9.774 -2.136 1.00 0.25 H new ATOM 0 HA LEU A 353 -4.491 7.007 -1.922 1.00 0.24 H new ATOM 0 HB2 LEU A 353 -5.851 9.493 -0.826 1.00 0.25 H new ATOM 0 HB3 LEU A 353 -6.259 7.853 -0.361 1.00 0.25 H new ATOM 0 HG LEU A 353 -3.601 9.239 0.103 1.00 0.26 H new ATOM 0 HD11 LEU A 353 -4.229 9.063 2.483 1.00 0.31 H new ATOM 0 HD12 LEU A 353 -5.402 10.033 1.562 1.00 0.31 H new ATOM 0 HD13 LEU A 353 -5.794 8.357 2.013 1.00 0.31 H new ATOM 0 HD21 LEU A 353 -2.993 7.231 1.392 1.00 0.26 H new ATOM 0 HD22 LEU A 353 -4.509 6.451 0.884 1.00 0.26 H new ATOM 0 HD23 LEU A 353 -3.269 6.856 -0.326 1.00 0.26 H new ATOM 768 N THR A 354 -6.334 8.862 -3.831 1.00 0.26 N ATOM 769 CA THR A 354 -7.422 8.888 -4.795 1.00 0.28 C ATOM 770 C THR A 354 -7.189 7.903 -5.947 1.00 0.28 C ATOM 771 O THR A 354 -8.045 7.731 -6.814 1.00 0.35 O ATOM 772 CB THR A 354 -7.579 10.297 -5.378 1.00 0.36 C ATOM 773 OG1 THR A 354 -6.302 10.767 -5.835 1.00 0.44 O ATOM 774 CG2 THR A 354 -8.144 11.273 -4.359 1.00 0.42 C ATOM 0 H THR A 354 -5.740 9.691 -3.852 1.00 0.26 H new ATOM 0 HA THR A 354 -8.327 8.594 -4.264 1.00 0.28 H new ATOM 0 HB THR A 354 -8.283 10.240 -6.209 1.00 0.36 H new ATOM 0 HG1 THR A 354 -6.357 10.988 -6.788 1.00 0.44 H new ATOM 0 HG21 THR A 354 -8.239 12.259 -4.813 1.00 0.42 H new ATOM 0 HG22 THR A 354 -9.125 10.929 -4.030 1.00 0.42 H new ATOM 0 HG23 THR A 354 -7.474 11.332 -3.501 1.00 0.42 H new ATOM 782 N ASN A 355 -6.025 7.269 -5.965 1.00 0.26 N ATOM 783 CA ASN A 355 -5.708 6.305 -7.010 1.00 0.30 C ATOM 784 C ASN A 355 -5.804 4.887 -6.481 1.00 0.28 C ATOM 785 O ASN A 355 -5.306 3.945 -7.094 1.00 0.33 O ATOM 786 CB ASN A 355 -4.316 6.553 -7.594 1.00 0.37 C ATOM 787 CG ASN A 355 -4.302 7.705 -8.579 1.00 0.49 C ATOM 788 OD1 ASN A 355 -3.957 8.892 -8.109 1.00 0.83 O flip ATOM 789 ND2 ASN A 355 -4.589 7.524 -9.762 1.00 0.66 N flip ATOM 0 H ASN A 355 -5.288 7.403 -5.272 1.00 0.26 H new ATOM 0 HA ASN A 355 -6.440 6.434 -7.807 1.00 0.30 H new ATOM 0 HB2 ASN A 355 -3.617 6.762 -6.784 1.00 0.37 H new ATOM 0 HB3 ASN A 355 -3.967 5.648 -8.092 1.00 0.37 H new ATOM 0 HD21 ASN A 355 -4.850 6.593 -10.087 1.00 0.66 H new ATOM 0 HD22 ASN A 355 -4.566 8.305 -10.418 1.00 0.66 H new ATOM 796 N ILE A 356 -6.459 4.741 -5.345 1.00 0.26 N ATOM 797 CA ILE A 356 -6.665 3.436 -4.754 1.00 0.28 C ATOM 798 C ILE A 356 -8.007 2.865 -5.187 1.00 0.28 C ATOM 799 O ILE A 356 -9.065 3.372 -4.810 1.00 0.38 O ATOM 800 CB ILE A 356 -6.611 3.490 -3.218 1.00 0.31 C ATOM 801 CG1 ILE A 356 -5.259 4.032 -2.749 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.861 2.110 -2.636 1.00 0.36 C ATOM 803 CD1 ILE A 356 -5.138 4.122 -1.245 1.00 0.38 C ATOM 0 H ILE A 356 -6.858 5.514 -4.813 1.00 0.26 H new ATOM 0 HA ILE A 356 -5.858 2.793 -5.104 1.00 0.28 H new ATOM 0 HB ILE A 356 -7.392 4.164 -2.865 1.00 0.31 H new ATOM 0 HG12 ILE A 356 -4.466 3.390 -3.132 1.00 0.33 H new ATOM 0 HG13 ILE A 356 -5.104 5.022 -3.179 1.00 0.33 H new ATOM 0 HG21 ILE A 356 -6.820 2.161 -1.548 1.00 0.36 H new ATOM 0 HG22 ILE A 356 -7.845 1.757 -2.946 1.00 0.36 H new ATOM 0 HG23 ILE A 356 -6.098 1.420 -2.996 1.00 0.36 H new ATOM 0 HD11 ILE A 356 -4.155 4.514 -0.982 1.00 0.38 H new ATOM 0 HD12 ILE A 356 -5.910 4.787 -0.857 1.00 0.38 H new ATOM 0 HD13 ILE A 356 -5.262 3.130 -0.810 1.00 0.38 H new ATOM 815 N LYS A 357 -7.957 1.819 -5.995 1.00 0.26 N ATOM 816 CA LYS A 357 -9.163 1.139 -6.439 1.00 0.30 C ATOM 817 C LYS A 357 -9.587 0.116 -5.394 1.00 0.31 C ATOM 818 O LYS A 357 -10.769 -0.016 -5.069 1.00 0.45 O ATOM 819 CB LYS A 357 -8.913 0.452 -7.785 1.00 0.35 C ATOM 820 CG LYS A 357 -10.122 -0.286 -8.335 1.00 0.46 C ATOM 821 CD LYS A 357 -9.787 -1.006 -9.630 1.00 0.60 C ATOM 822 CE LYS A 357 -10.986 -1.753 -10.190 1.00 0.79 C ATOM 823 NZ LYS A 357 -12.151 -0.862 -10.441 1.00 1.75 N ATOM 0 H LYS A 357 -7.091 1.421 -6.358 1.00 0.26 H new ATOM 0 HA LYS A 357 -9.962 1.869 -6.565 1.00 0.30 H new ATOM 0 HB2 LYS A 357 -8.596 1.201 -8.511 1.00 0.35 H new ATOM 0 HB3 LYS A 357 -8.089 -0.253 -7.674 1.00 0.35 H new ATOM 0 HG2 LYS A 357 -10.478 -1.006 -7.598 1.00 0.46 H new ATOM 0 HG3 LYS A 357 -10.934 0.420 -8.509 1.00 0.46 H new ATOM 0 HD2 LYS A 357 -9.433 -0.284 -10.366 1.00 0.60 H new ATOM 0 HD3 LYS A 357 -8.972 -1.708 -9.455 1.00 0.60 H new ATOM 0 HE2 LYS A 357 -10.701 -2.243 -11.121 1.00 0.79 H new ATOM 0 HE3 LYS A 357 -11.278 -2.538 -9.493 1.00 0.79 H new ATOM 0 HZ1 LYS A 357 -12.862 -1.371 -11.004 1.00 1.75 H new ATOM 0 HZ2 LYS A 357 -12.570 -0.574 -9.534 1.00 1.75 H new ATOM 0 HZ3 LYS A 357 -11.837 -0.018 -10.961 1.00 1.75 H new ATOM 837 N ARG A 358 -8.599 -0.590 -4.864 1.00 0.26 N ATOM 838 CA ARG A 358 -8.823 -1.625 -3.867 1.00 0.29 C ATOM 839 C ARG A 358 -7.493 -2.051 -3.266 1.00 0.28 C ATOM 840 O ARG A 358 -6.436 -1.581 -3.694 1.00 0.35 O ATOM 841 CB ARG A 358 -9.514 -2.842 -4.488 1.00 0.34 C ATOM 842 CG ARG A 358 -8.853 -3.329 -5.760 1.00 0.37 C ATOM 843 CD ARG A 358 -9.342 -4.705 -6.162 1.00 0.54 C ATOM 844 NE ARG A 358 -10.791 -4.763 -6.336 1.00 0.83 N ATOM 845 CZ ARG A 358 -11.384 -5.449 -7.305 1.00 1.19 C ATOM 846 NH1 ARG A 358 -10.651 -6.041 -8.240 1.00 1.46 N ATOM 847 NH2 ARG A 358 -12.706 -5.527 -7.351 1.00 1.75 N ATOM 0 H ARG A 358 -7.619 -0.461 -5.114 1.00 0.26 H new ATOM 0 HA ARG A 358 -9.469 -1.218 -3.089 1.00 0.29 H new ATOM 0 HB2 ARG A 358 -9.526 -3.654 -3.760 1.00 0.34 H new ATOM 0 HB3 ARG A 358 -10.553 -2.590 -4.701 1.00 0.34 H new ATOM 0 HG2 ARG A 358 -9.053 -2.623 -6.566 1.00 0.37 H new ATOM 0 HG3 ARG A 358 -7.772 -3.355 -5.620 1.00 0.37 H new ATOM 0 HD2 ARG A 358 -8.857 -5.000 -7.092 1.00 0.54 H new ATOM 0 HD3 ARG A 358 -9.043 -5.428 -5.403 1.00 0.54 H new ATOM 0 HE ARG A 358 -11.378 -4.249 -5.678 1.00 0.83 H new ATOM 0 HH11 ARG A 358 -9.634 -5.968 -8.213 1.00 1.46 H new ATOM 0 HH12 ARG A 358 -11.105 -6.569 -8.986 1.00 1.46 H new ATOM 0 HH21 ARG A 358 -13.269 -5.059 -6.641 1.00 1.75 H new ATOM 0 HH22 ARG A 358 -13.160 -6.055 -8.096 1.00 1.75 H new ATOM 861 N TRP A 359 -7.546 -2.927 -2.278 1.00 0.25 N ATOM 862 CA TRP A 359 -6.342 -3.508 -1.713 1.00 0.27 C ATOM 863 C TRP A 359 -6.647 -4.875 -1.117 1.00 0.28 C ATOM 864 O TRP A 359 -7.785 -5.150 -0.722 1.00 0.36 O ATOM 865 CB TRP A 359 -5.714 -2.582 -0.657 1.00 0.28 C ATOM 866 CG TRP A 359 -6.603 -2.249 0.507 1.00 0.27 C ATOM 867 CD1 TRP A 359 -6.878 -3.040 1.584 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.311 -1.023 0.721 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.721 -2.383 2.447 1.00 0.35 N ATOM 870 CE2 TRP A 359 -8.000 -1.144 1.942 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.431 0.164 -0.001 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -8.794 -0.123 2.454 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.221 1.177 0.508 1.00 0.40 C ATOM 874 CH2 TRP A 359 -8.892 1.028 1.725 1.00 0.39 C ATOM 0 H TRP A 359 -8.413 -3.252 -1.850 1.00 0.25 H new ATOM 0 HA TRP A 359 -5.616 -3.630 -2.517 1.00 0.27 H new ATOM 0 HB2 TRP A 359 -4.806 -3.051 -0.278 1.00 0.28 H new ATOM 0 HB3 TRP A 359 -5.414 -1.653 -1.143 1.00 0.28 H new ATOM 0 HD1 TRP A 359 -6.490 -4.036 1.736 1.00 0.36 H new ATOM 0 HE1 TRP A 359 -8.081 -2.759 3.324 1.00 0.35 H new ATOM 0 HE3 TRP A 359 -6.915 0.289 -0.942 1.00 0.32 H new ATOM 0 HZ2 TRP A 359 -9.314 -0.236 3.394 1.00 0.33 H new ATOM 0 HZ3 TRP A 359 -8.322 2.100 -0.044 1.00 0.40 H new ATOM 0 HH2 TRP A 359 -9.500 1.839 2.097 1.00 0.39 H new ATOM 885 N ALA A 360 -5.637 -5.729 -1.075 1.00 0.25 N ATOM 886 CA ALA A 360 -5.778 -7.061 -0.511 1.00 0.27 C ATOM 887 C ALA A 360 -4.945 -7.201 0.750 1.00 0.25 C ATOM 888 O ALA A 360 -3.713 -7.189 0.706 1.00 0.31 O ATOM 889 CB ALA A 360 -5.399 -8.120 -1.531 1.00 0.31 C ATOM 0 H ALA A 360 -4.703 -5.520 -1.428 1.00 0.25 H new ATOM 0 HA ALA A 360 -6.824 -7.209 -0.243 1.00 0.27 H new ATOM 0 HB1 ALA A 360 -5.512 -9.109 -1.087 1.00 0.31 H new ATOM 0 HB2 ALA A 360 -6.050 -8.036 -2.401 1.00 0.31 H new ATOM 0 HB3 ALA A 360 -4.363 -7.976 -1.837 1.00 0.31 H new ATOM 895 N ALA A 361 -5.632 -7.322 1.874 1.00 0.26 N ATOM 896 CA ALA A 361 -4.977 -7.444 3.162 1.00 0.27 C ATOM 897 C ALA A 361 -4.884 -8.899 3.592 1.00 0.25 C ATOM 898 O ALA A 361 -5.864 -9.491 4.049 1.00 0.38 O ATOM 899 CB ALA A 361 -5.718 -6.630 4.211 1.00 0.35 C ATOM 0 H ALA A 361 -6.651 -7.338 1.918 1.00 0.26 H new ATOM 0 HA ALA A 361 -3.964 -7.054 3.064 1.00 0.27 H new ATOM 0 HB1 ALA A 361 -5.215 -6.731 5.173 1.00 0.35 H new ATOM 0 HB2 ALA A 361 -5.729 -5.581 3.916 1.00 0.35 H new ATOM 0 HB3 ALA A 361 -6.742 -6.994 4.297 1.00 0.35 H new ATOM 905 N SER A 362 -3.711 -9.480 3.413 1.00 0.32 N ATOM 906 CA SER A 362 -3.453 -10.835 3.862 1.00 0.40 C ATOM 907 C SER A 362 -2.382 -10.815 4.950 1.00 0.42 C ATOM 908 O SER A 362 -1.548 -9.910 4.987 1.00 0.44 O ATOM 909 CB SER A 362 -3.024 -11.708 2.681 1.00 0.47 C ATOM 910 OG SER A 362 -4.004 -11.682 1.654 1.00 1.00 O ATOM 0 H SER A 362 -2.918 -9.030 2.956 1.00 0.32 H new ATOM 0 HA SER A 362 -4.365 -11.262 4.280 1.00 0.40 H new ATOM 0 HB2 SER A 362 -2.070 -11.355 2.289 1.00 0.47 H new ATOM 0 HB3 SER A 362 -2.870 -12.733 3.018 1.00 0.47 H new ATOM 0 HG SER A 362 -3.710 -12.245 0.907 1.00 1.00 H new ATOM 916 N PRO A 363 -2.399 -11.805 5.855 1.00 0.46 N ATOM 917 CA PRO A 363 -1.502 -11.834 7.018 1.00 0.48 C ATOM 918 C PRO A 363 -0.019 -11.956 6.654 1.00 0.45 C ATOM 919 O PRO A 363 0.848 -11.645 7.469 1.00 0.66 O ATOM 920 CB PRO A 363 -1.963 -13.069 7.799 1.00 0.58 C ATOM 921 CG PRO A 363 -2.665 -13.919 6.801 1.00 0.60 C ATOM 922 CD PRO A 363 -3.303 -12.970 5.830 1.00 0.53 C ATOM 0 HA PRO A 363 -1.563 -10.901 7.578 1.00 0.48 H new ATOM 0 HB2 PRO A 363 -1.116 -13.596 8.239 1.00 0.58 H new ATOM 0 HB3 PRO A 363 -2.627 -12.792 8.618 1.00 0.58 H new ATOM 0 HG2 PRO A 363 -1.966 -14.585 6.295 1.00 0.60 H new ATOM 0 HG3 PRO A 363 -3.414 -14.548 7.282 1.00 0.60 H new ATOM 0 HD2 PRO A 363 -3.375 -13.403 4.832 1.00 0.53 H new ATOM 0 HD3 PRO A 363 -4.315 -12.702 6.135 1.00 0.53 H new ATOM 930 N LYS A 364 0.275 -12.410 5.440 1.00 0.44 N ATOM 931 CA LYS A 364 1.663 -12.591 5.032 1.00 0.44 C ATOM 932 C LYS A 364 2.071 -11.580 3.959 1.00 0.37 C ATOM 933 O LYS A 364 3.247 -11.239 3.832 1.00 0.40 O ATOM 934 CB LYS A 364 1.890 -14.015 4.512 1.00 0.56 C ATOM 935 CG LYS A 364 3.356 -14.349 4.284 1.00 0.72 C ATOM 936 CD LYS A 364 3.541 -15.691 3.589 1.00 0.98 C ATOM 937 CE LYS A 364 3.325 -15.595 2.082 1.00 1.26 C ATOM 938 NZ LYS A 364 1.894 -15.420 1.712 1.00 2.08 N ATOM 0 H LYS A 364 -0.417 -12.656 4.732 1.00 0.44 H new ATOM 0 HA LYS A 364 2.284 -12.425 5.912 1.00 0.44 H new ATOM 0 HB2 LYS A 364 1.470 -14.725 5.224 1.00 0.56 H new ATOM 0 HB3 LYS A 364 1.346 -14.143 3.576 1.00 0.56 H new ATOM 0 HG2 LYS A 364 3.816 -13.565 3.683 1.00 0.72 H new ATOM 0 HG3 LYS A 364 3.876 -14.363 5.242 1.00 0.72 H new ATOM 0 HD2 LYS A 364 4.545 -16.065 3.787 1.00 0.98 H new ATOM 0 HD3 LYS A 364 2.843 -16.415 4.009 1.00 0.98 H new ATOM 0 HE2 LYS A 364 3.901 -14.757 1.690 1.00 1.26 H new ATOM 0 HE3 LYS A 364 3.710 -16.497 1.607 1.00 1.26 H new ATOM 0 HZ1 LYS A 364 1.717 -15.865 0.789 1.00 2.08 H new ATOM 0 HZ2 LYS A 364 1.292 -15.867 2.433 1.00 2.08 H new ATOM 0 HZ3 LYS A 364 1.672 -14.406 1.656 1.00 2.08 H new ATOM 952 N SER A 365 1.112 -11.107 3.178 1.00 0.35 N ATOM 953 CA SER A 365 1.415 -10.192 2.085 1.00 0.34 C ATOM 954 C SER A 365 0.267 -9.218 1.841 1.00 0.32 C ATOM 955 O SER A 365 -0.905 -9.563 1.997 1.00 0.52 O ATOM 956 CB SER A 365 1.724 -10.984 0.812 1.00 0.40 C ATOM 957 OG SER A 365 2.804 -11.882 1.028 1.00 1.32 O ATOM 0 H SER A 365 0.124 -11.339 3.278 1.00 0.35 H new ATOM 0 HA SER A 365 2.291 -9.607 2.364 1.00 0.34 H new ATOM 0 HB2 SER A 365 0.840 -11.540 0.500 1.00 0.40 H new ATOM 0 HB3 SER A 365 1.972 -10.298 0.002 1.00 0.40 H new ATOM 0 HG SER A 365 2.985 -12.380 0.204 1.00 1.32 H new ATOM 963 N PHE A 366 0.618 -8.004 1.454 1.00 0.19 N ATOM 964 CA PHE A 366 -0.357 -6.956 1.211 1.00 0.16 C ATOM 965 C PHE A 366 -0.243 -6.464 -0.229 1.00 0.16 C ATOM 966 O PHE A 366 0.862 -6.274 -0.740 1.00 0.28 O ATOM 967 CB PHE A 366 -0.135 -5.802 2.194 1.00 0.19 C ATOM 968 CG PHE A 366 -1.140 -4.692 2.075 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.410 -4.833 2.606 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.811 -3.508 1.439 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.336 -3.814 2.503 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.732 -2.486 1.332 1.00 0.29 C ATOM 973 CZ PHE A 366 -2.997 -2.639 1.865 1.00 0.30 C ATOM 0 H PHE A 366 1.585 -7.718 1.300 1.00 0.19 H new ATOM 0 HA PHE A 366 -1.360 -7.354 1.363 1.00 0.16 H new ATOM 0 HB2 PHE A 366 -0.162 -6.195 3.210 1.00 0.19 H new ATOM 0 HB3 PHE A 366 0.863 -5.392 2.037 1.00 0.19 H new ATOM 0 HD1 PHE A 366 -2.680 -5.751 3.107 1.00 0.23 H new ATOM 0 HD2 PHE A 366 0.177 -3.382 1.022 1.00 0.25 H new ATOM 0 HE1 PHE A 366 -4.324 -3.937 2.921 1.00 0.28 H new ATOM 0 HE2 PHE A 366 -1.464 -1.567 0.832 1.00 0.29 H new ATOM 0 HZ PHE A 366 -3.719 -1.840 1.782 1.00 0.30 H new ATOM 983 N THR A 367 -1.381 -6.275 -0.879 1.00 0.17 N ATOM 984 CA THR A 367 -1.404 -5.816 -2.260 1.00 0.19 C ATOM 985 C THR A 367 -2.239 -4.544 -2.403 1.00 0.19 C ATOM 986 O THR A 367 -3.358 -4.469 -1.904 1.00 0.27 O ATOM 987 CB THR A 367 -1.963 -6.909 -3.199 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.122 -8.071 -3.153 1.00 0.34 O ATOM 989 CG2 THR A 367 -2.059 -6.413 -4.637 1.00 0.32 C ATOM 0 H THR A 367 -2.303 -6.433 -0.472 1.00 0.17 H new ATOM 0 HA THR A 367 -0.375 -5.597 -2.546 1.00 0.19 H new ATOM 0 HB THR A 367 -2.966 -7.162 -2.855 1.00 0.26 H new ATOM 0 HG1 THR A 367 -0.446 -8.014 -3.860 1.00 0.34 H new ATOM 0 HG21 THR A 367 -2.456 -7.207 -5.270 1.00 0.32 H new ATOM 0 HG22 THR A 367 -2.722 -5.549 -4.680 1.00 0.32 H new ATOM 0 HG23 THR A 367 -1.068 -6.128 -4.991 1.00 0.32 H new ATOM 997 N LEU A 368 -1.668 -3.544 -3.061 1.00 0.20 N ATOM 998 CA LEU A 368 -2.380 -2.313 -3.373 1.00 0.22 C ATOM 999 C LEU A 368 -2.723 -2.261 -4.856 1.00 0.23 C ATOM 1000 O LEU A 368 -1.833 -2.295 -5.711 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.537 -1.092 -2.993 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.574 -0.707 -1.514 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.526 0.355 -1.214 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -2.960 -0.204 -1.136 1.00 0.25 C ATOM 0 H LEU A 368 -0.703 -3.563 -3.392 1.00 0.20 H new ATOM 0 HA LEU A 368 -3.303 -2.297 -2.793 1.00 0.22 H new ATOM 0 HB2 LEU A 368 -0.502 -1.284 -3.276 1.00 0.24 H new ATOM 0 HB3 LEU A 368 -1.876 -0.240 -3.582 1.00 0.24 H new ATOM 0 HG LEU A 368 -1.349 -1.592 -0.919 1.00 0.25 H new ATOM 0 HD11 LEU A 368 -0.566 0.617 -0.157 1.00 0.29 H new ATOM 0 HD12 LEU A 368 0.464 -0.033 -1.454 1.00 0.29 H new ATOM 0 HD13 LEU A 368 -0.724 1.242 -1.816 1.00 0.29 H new ATOM 0 HD21 LEU A 368 -2.973 0.067 -0.080 1.00 0.25 H new ATOM 0 HD22 LEU A 368 -3.206 0.670 -1.738 1.00 0.25 H new ATOM 0 HD23 LEU A 368 -3.694 -0.989 -1.318 1.00 0.25 H new ATOM 1016 N ASP A 369 -4.012 -2.189 -5.154 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.482 -2.107 -6.530 1.00 0.24 C ATOM 1018 C ASP A 369 -4.710 -0.656 -6.920 1.00 0.21 C ATOM 1019 O ASP A 369 -5.684 -0.029 -6.491 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.785 -2.892 -6.714 1.00 0.31 C ATOM 1021 CG ASP A 369 -5.619 -4.397 -6.587 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -5.039 -4.843 -5.575 1.00 1.52 O ATOM 1023 OD2 ASP A 369 -6.052 -5.129 -7.499 1.00 1.47 O ATOM 0 H ASP A 369 -4.756 -2.186 -4.456 1.00 0.21 H new ATOM 0 HA ASP A 369 -3.717 -2.543 -7.172 1.00 0.24 H new ATOM 0 HB2 ASP A 369 -6.510 -2.552 -5.974 1.00 0.31 H new ATOM 0 HB3 ASP A 369 -6.200 -2.663 -7.696 1.00 0.31 H new ATOM 1028 N PHE A 370 -3.812 -0.120 -7.731 1.00 0.25 N ATOM 1029 CA PHE A 370 -3.907 1.269 -8.164 1.00 0.26 C ATOM 1030 C PHE A 370 -4.661 1.375 -9.481 1.00 0.31 C ATOM 1031 O PHE A 370 -4.693 2.432 -10.111 1.00 0.35 O ATOM 1032 CB PHE A 370 -2.512 1.880 -8.298 1.00 0.31 C ATOM 1033 CG PHE A 370 -1.738 1.855 -7.013 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.078 2.703 -5.971 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -0.681 0.979 -6.843 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -1.378 2.675 -4.782 1.00 0.41 C ATOM 1037 CE2 PHE A 370 0.025 0.949 -5.656 1.00 0.42 C ATOM 1038 CZ PHE A 370 -0.325 1.796 -4.626 1.00 0.44 C ATOM 0 H PHE A 370 -3.008 -0.624 -8.104 1.00 0.25 H new ATOM 0 HA PHE A 370 -4.462 1.825 -7.408 1.00 0.26 H new ATOM 0 HB2 PHE A 370 -1.955 1.338 -9.062 1.00 0.31 H new ATOM 0 HB3 PHE A 370 -2.604 2.911 -8.641 1.00 0.31 H new ATOM 0 HD1 PHE A 370 -2.900 3.393 -6.091 1.00 0.35 H new ATOM 0 HD2 PHE A 370 -0.405 0.312 -7.646 1.00 0.37 H new ATOM 0 HE1 PHE A 370 -1.653 3.339 -3.976 1.00 0.41 H new ATOM 0 HE2 PHE A 370 0.850 0.263 -5.535 1.00 0.42 H new ATOM 0 HZ PHE A 370 0.225 1.772 -3.697 1.00 0.44 H new ATOM 1048 N GLY A 371 -5.268 0.268 -9.885 1.00 0.40 N ATOM 1049 CA GLY A 371 -6.068 0.256 -11.090 1.00 0.50 C ATOM 1050 C GLY A 371 -5.244 0.463 -12.342 1.00 0.49 C ATOM 1051 O GLY A 371 -4.291 -0.274 -12.604 1.00 0.58 O ATOM 0 H GLY A 371 -5.219 -0.626 -9.396 1.00 0.40 H new ATOM 0 HA2 GLY A 371 -6.596 -0.695 -11.161 1.00 0.50 H new ATOM 0 HA3 GLY A 371 -6.826 1.037 -11.026 1.00 0.50 H new ATOM 1055 N ASP A 372 -5.598 1.491 -13.093 1.00 0.49 N ATOM 1056 CA ASP A 372 -4.976 1.765 -14.380 1.00 0.56 C ATOM 1057 C ASP A 372 -3.963 2.896 -14.263 1.00 0.55 C ATOM 1058 O ASP A 372 -3.726 3.632 -15.220 1.00 0.72 O ATOM 1059 CB ASP A 372 -6.046 2.131 -15.410 1.00 0.71 C ATOM 1060 CG ASP A 372 -6.948 0.965 -15.759 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -7.830 0.618 -14.946 1.00 2.38 O ATOM 1062 OD2 ASP A 372 -6.785 0.391 -16.856 1.00 1.89 O ATOM 0 H ASP A 372 -6.323 2.159 -12.830 1.00 0.49 H new ATOM 0 HA ASP A 372 -4.453 0.866 -14.706 1.00 0.56 H new ATOM 0 HB2 ASP A 372 -6.652 2.950 -15.022 1.00 0.71 H new ATOM 0 HB3 ASP A 372 -5.562 2.494 -16.317 1.00 0.71 H new ATOM 1067 N TYR A 373 -3.355 3.020 -13.094 1.00 0.52 N ATOM 1068 CA TYR A 373 -2.361 4.059 -12.854 1.00 0.51 C ATOM 1069 C TYR A 373 -0.980 3.580 -13.291 1.00 0.52 C ATOM 1070 O TYR A 373 -0.116 4.379 -13.650 1.00 0.60 O ATOM 1071 CB TYR A 373 -2.347 4.433 -11.369 1.00 0.50 C ATOM 1072 CG TYR A 373 -1.467 5.618 -11.026 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -1.938 6.918 -11.155 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -0.171 5.435 -10.559 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.145 8.002 -10.825 1.00 0.64 C ATOM 1076 CE2 TYR A 373 0.629 6.514 -10.234 1.00 0.64 C ATOM 1077 CZ TYR A 373 0.137 7.793 -10.366 1.00 0.67 C ATOM 1078 OH TYR A 373 0.930 8.868 -10.029 1.00 0.79 O ATOM 0 H TYR A 373 -3.532 2.413 -12.293 1.00 0.52 H new ATOM 0 HA TYR A 373 -2.623 4.941 -13.439 1.00 0.51 H new ATOM 0 HB2 TYR A 373 -3.367 4.651 -11.053 1.00 0.50 H new ATOM 0 HB3 TYR A 373 -2.013 3.570 -10.793 1.00 0.50 H new ATOM 0 HD1 TYR A 373 -2.941 7.085 -11.519 1.00 0.56 H new ATOM 0 HD2 TYR A 373 0.217 4.433 -10.448 1.00 0.56 H new ATOM 0 HE1 TYR A 373 -1.529 9.006 -10.927 1.00 0.64 H new ATOM 0 HE2 TYR A 373 1.636 6.355 -9.878 1.00 0.64 H new ATOM 0 HH TYR A 373 1.804 8.547 -9.723 1.00 0.79 H new ATOM 1088 N GLN A 374 -0.794 2.269 -13.273 1.00 0.53 N ATOM 1089 CA GLN A 374 0.471 1.662 -13.657 1.00 0.59 C ATOM 1090 C GLN A 374 0.228 0.227 -14.101 1.00 0.60 C ATOM 1091 O GLN A 374 -0.905 -0.251 -14.054 1.00 0.59 O ATOM 1092 CB GLN A 374 1.466 1.694 -12.491 1.00 0.63 C ATOM 1093 CG GLN A 374 0.979 0.966 -11.248 1.00 0.59 C ATOM 1094 CD GLN A 374 2.025 0.906 -10.150 1.00 0.69 C ATOM 1095 OE1 GLN A 374 2.880 1.915 -10.077 1.00 1.09 O flip ATOM 1096 NE2 GLN A 374 2.065 -0.045 -9.371 1.00 0.85 N flip ATOM 0 H GLN A 374 -1.511 1.599 -12.994 1.00 0.53 H new ATOM 0 HA GLN A 374 0.899 2.231 -14.482 1.00 0.59 H new ATOM 0 HB2 GLN A 374 2.407 1.249 -12.816 1.00 0.63 H new ATOM 0 HB3 GLN A 374 1.676 2.732 -12.234 1.00 0.63 H new ATOM 0 HG2 GLN A 374 0.088 1.465 -10.867 1.00 0.59 H new ATOM 0 HG3 GLN A 374 0.685 -0.048 -11.519 1.00 0.59 H new ATOM 0 HE21 GLN A 374 1.390 -0.804 -9.458 1.00 0.85 H new ATOM 0 HE22 GLN A 374 2.774 -0.074 -8.638 1.00 0.85 H new ATOM 1105 N ASP A 375 1.282 -0.457 -14.523 1.00 0.74 N ATOM 1106 CA ASP A 375 1.159 -1.837 -14.973 1.00 0.78 C ATOM 1107 C ASP A 375 1.221 -2.782 -13.786 1.00 0.64 C ATOM 1108 O ASP A 375 2.263 -2.918 -13.139 1.00 0.73 O ATOM 1109 CB ASP A 375 2.263 -2.199 -15.972 1.00 1.06 C ATOM 1110 CG ASP A 375 2.164 -1.431 -17.275 1.00 1.71 C ATOM 1111 OD1 ASP A 375 1.295 -1.771 -18.107 1.00 2.21 O ATOM 1112 OD2 ASP A 375 2.942 -0.469 -17.468 1.00 2.30 O ATOM 0 H ASP A 375 2.229 -0.081 -14.563 1.00 0.74 H new ATOM 0 HA ASP A 375 0.196 -1.938 -15.473 1.00 0.78 H new ATOM 0 HB2 ASP A 375 3.234 -2.005 -15.516 1.00 1.06 H new ATOM 0 HB3 ASP A 375 2.217 -3.267 -16.183 1.00 1.06 H new ATOM 1117 N GLY A 376 0.105 -3.428 -13.500 1.00 0.57 N ATOM 1118 CA GLY A 376 0.050 -4.348 -12.386 1.00 0.53 C ATOM 1119 C GLY A 376 -0.291 -3.651 -11.086 1.00 0.52 C ATOM 1120 O GLY A 376 -0.783 -2.521 -11.087 1.00 0.70 O ATOM 0 H GLY A 376 -0.767 -3.332 -14.021 1.00 0.57 H new ATOM 0 HA2 GLY A 376 -0.694 -5.118 -12.589 1.00 0.53 H new ATOM 0 HA3 GLY A 376 1.011 -4.852 -12.285 1.00 0.53 H new ATOM 1124 N TYR A 377 -0.023 -4.322 -9.978 1.00 0.46 N ATOM 1125 CA TYR A 377 -0.342 -3.790 -8.663 1.00 0.46 C ATOM 1126 C TYR A 377 0.920 -3.678 -7.818 1.00 0.37 C ATOM 1127 O TYR A 377 2.035 -3.810 -8.326 1.00 0.38 O ATOM 1128 CB TYR A 377 -1.362 -4.692 -7.960 1.00 0.53 C ATOM 1129 CG TYR A 377 -2.595 -4.981 -8.786 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -3.294 -3.956 -9.411 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -3.061 -6.280 -8.938 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -4.420 -4.217 -10.164 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -4.188 -6.550 -9.691 1.00 0.76 C ATOM 1134 CZ TYR A 377 -4.862 -5.514 -10.302 1.00 0.91 C ATOM 1135 OH TYR A 377 -5.991 -5.775 -11.044 1.00 1.06 O ATOM 0 H TYR A 377 0.417 -5.242 -9.963 1.00 0.46 H new ATOM 0 HA TYR A 377 -0.773 -2.797 -8.786 1.00 0.46 H new ATOM 0 HB2 TYR A 377 -0.881 -5.635 -7.701 1.00 0.53 H new ATOM 0 HB3 TYR A 377 -1.665 -4.221 -7.025 1.00 0.53 H new ATOM 0 HD1 TYR A 377 -2.950 -2.938 -9.306 1.00 0.83 H new ATOM 0 HD2 TYR A 377 -2.534 -7.093 -8.460 1.00 0.64 H new ATOM 0 HE1 TYR A 377 -4.952 -3.408 -10.643 1.00 0.97 H new ATOM 0 HE2 TYR A 377 -4.538 -7.566 -9.800 1.00 0.76 H new ATOM 0 HH TYR A 377 -6.167 -6.739 -11.043 1.00 1.06 H new ATOM 1145 N TYR A 378 0.744 -3.432 -6.533 1.00 0.32 N ATOM 1146 CA TYR A 378 1.865 -3.326 -5.615 1.00 0.29 C ATOM 1147 C TYR A 378 1.719 -4.348 -4.493 1.00 0.24 C ATOM 1148 O TYR A 378 0.911 -4.170 -3.583 1.00 0.26 O ATOM 1149 CB TYR A 378 1.944 -1.902 -5.053 1.00 0.31 C ATOM 1150 CG TYR A 378 3.045 -1.693 -4.042 1.00 0.32 C ATOM 1151 CD1 TYR A 378 4.353 -2.065 -4.320 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.773 -1.118 -2.808 1.00 0.37 C ATOM 1153 CE1 TYR A 378 5.357 -1.872 -3.393 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.772 -0.920 -1.879 1.00 0.40 C ATOM 1155 CZ TYR A 378 5.061 -1.300 -2.175 1.00 0.41 C ATOM 1156 OH TYR A 378 6.061 -1.104 -1.249 1.00 0.47 O ATOM 0 H TYR A 378 -0.170 -3.301 -6.099 1.00 0.32 H new ATOM 0 HA TYR A 378 2.791 -3.537 -6.149 1.00 0.29 H new ATOM 0 HB2 TYR A 378 2.088 -1.206 -5.879 1.00 0.31 H new ATOM 0 HB3 TYR A 378 0.989 -1.653 -4.590 1.00 0.31 H new ATOM 0 HD1 TYR A 378 4.588 -2.512 -5.275 1.00 0.36 H new ATOM 0 HD2 TYR A 378 1.762 -0.821 -2.572 1.00 0.37 H new ATOM 0 HE1 TYR A 378 6.370 -2.168 -3.621 1.00 0.41 H new ATOM 0 HE2 TYR A 378 3.544 -0.469 -0.924 1.00 0.40 H new ATOM 0 HH TYR A 378 6.899 -0.894 -1.712 1.00 0.47 H new ATOM 1166 N SER A 379 2.486 -5.425 -4.580 1.00 0.26 N ATOM 1167 CA SER A 379 2.398 -6.509 -3.612 1.00 0.27 C ATOM 1168 C SER A 379 3.682 -6.617 -2.796 1.00 0.24 C ATOM 1169 O SER A 379 4.776 -6.715 -3.352 1.00 0.29 O ATOM 1170 CB SER A 379 2.124 -7.826 -4.337 1.00 0.36 C ATOM 1171 OG SER A 379 0.963 -7.724 -5.147 1.00 1.06 O ATOM 0 H SER A 379 3.179 -5.572 -5.314 1.00 0.26 H new ATOM 0 HA SER A 379 1.578 -6.296 -2.927 1.00 0.27 H new ATOM 0 HB2 SER A 379 2.982 -8.091 -4.955 1.00 0.36 H new ATOM 0 HB3 SER A 379 1.996 -8.627 -3.609 1.00 0.36 H new ATOM 0 HG SER A 379 0.806 -8.577 -5.603 1.00 1.06 H new ATOM 1177 N VAL A 380 3.538 -6.594 -1.479 1.00 0.22 N ATOM 1178 CA VAL A 380 4.680 -6.679 -0.578 1.00 0.24 C ATOM 1179 C VAL A 380 4.433 -7.685 0.535 1.00 0.23 C ATOM 1180 O VAL A 380 3.298 -7.893 0.960 1.00 0.30 O ATOM 1181 CB VAL A 380 5.012 -5.314 0.051 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.662 -4.404 -0.971 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.762 -4.659 0.624 1.00 0.29 C ATOM 0 H VAL A 380 2.637 -6.517 -1.008 1.00 0.22 H new ATOM 0 HA VAL A 380 5.526 -7.007 -1.183 1.00 0.24 H new ATOM 0 HB VAL A 380 5.714 -5.480 0.868 1.00 0.27 H new ATOM 0 HG11 VAL A 380 5.890 -3.443 -0.510 1.00 0.33 H new ATOM 0 HG12 VAL A 380 6.583 -4.861 -1.332 1.00 0.33 H new ATOM 0 HG13 VAL A 380 4.981 -4.252 -1.808 1.00 0.33 H new ATOM 0 HG21 VAL A 380 4.024 -3.696 1.062 1.00 0.29 H new ATOM 0 HG22 VAL A 380 3.033 -4.509 -0.172 1.00 0.29 H new ATOM 0 HG23 VAL A 380 3.333 -5.303 1.392 1.00 0.29 H new ATOM 1193 N GLN A 381 5.504 -8.305 1.006 1.00 0.22 N ATOM 1194 CA GLN A 381 5.411 -9.271 2.086 1.00 0.24 C ATOM 1195 C GLN A 381 5.551 -8.566 3.430 1.00 0.24 C ATOM 1196 O GLN A 381 6.472 -7.770 3.627 1.00 0.32 O ATOM 1197 CB GLN A 381 6.495 -10.339 1.937 1.00 0.34 C ATOM 1198 CG GLN A 381 6.363 -11.482 2.927 1.00 0.43 C ATOM 1199 CD GLN A 381 7.483 -12.494 2.808 1.00 0.72 C ATOM 1200 OE1 GLN A 381 8.509 -12.384 3.476 1.00 1.47 O ATOM 1201 NE2 GLN A 381 7.297 -13.481 1.948 1.00 0.94 N ATOM 0 H GLN A 381 6.450 -8.155 0.655 1.00 0.22 H new ATOM 0 HA GLN A 381 4.436 -9.755 2.040 1.00 0.24 H new ATOM 0 HB2 GLN A 381 6.460 -10.741 0.924 1.00 0.34 H new ATOM 0 HB3 GLN A 381 7.472 -9.873 2.062 1.00 0.34 H new ATOM 0 HG2 GLN A 381 6.349 -11.079 3.940 1.00 0.43 H new ATOM 0 HG3 GLN A 381 5.408 -11.984 2.770 1.00 0.43 H new ATOM 0 HE21 GLN A 381 6.430 -13.535 1.413 1.00 0.94 H new ATOM 0 HE22 GLN A 381 8.020 -14.188 1.819 1.00 0.94 H new ATOM 1210 N THR A 382 4.632 -8.852 4.340 1.00 0.21 N ATOM 1211 CA THR A 382 4.637 -8.250 5.663 1.00 0.26 C ATOM 1212 C THR A 382 3.506 -8.832 6.507 1.00 0.25 C ATOM 1213 O THR A 382 2.436 -9.154 5.987 1.00 0.30 O ATOM 1214 CB THR A 382 4.489 -6.710 5.593 1.00 0.30 C ATOM 1215 OG1 THR A 382 4.538 -6.146 6.909 1.00 0.42 O ATOM 1216 CG2 THR A 382 3.183 -6.312 4.916 1.00 0.28 C ATOM 0 H THR A 382 3.865 -9.506 4.182 1.00 0.21 H new ATOM 0 HA THR A 382 5.598 -8.478 6.124 1.00 0.26 H new ATOM 0 HB THR A 382 5.318 -6.323 5.001 1.00 0.30 H new ATOM 0 HG1 THR A 382 5.351 -5.607 7.004 1.00 0.42 H new ATOM 0 HG21 THR A 382 3.107 -5.225 4.882 1.00 0.28 H new ATOM 0 HG22 THR A 382 3.163 -6.709 3.901 1.00 0.28 H new ATOM 0 HG23 THR A 382 2.343 -6.716 5.480 1.00 0.28 H new ATOM 1224 N THR A 383 3.745 -8.973 7.801 1.00 0.31 N ATOM 1225 CA THR A 383 2.731 -9.488 8.705 1.00 0.37 C ATOM 1226 C THR A 383 1.815 -8.367 9.190 1.00 0.36 C ATOM 1227 O THR A 383 0.824 -8.610 9.879 1.00 0.46 O ATOM 1228 CB THR A 383 3.372 -10.198 9.911 1.00 0.50 C ATOM 1229 OG1 THR A 383 4.362 -9.349 10.512 1.00 0.55 O ATOM 1230 CG2 THR A 383 4.014 -11.511 9.487 1.00 0.55 C ATOM 0 H THR A 383 4.631 -8.738 8.248 1.00 0.31 H new ATOM 0 HA THR A 383 2.136 -10.214 8.151 1.00 0.37 H new ATOM 0 HB THR A 383 2.588 -10.412 10.637 1.00 0.50 H new ATOM 0 HG1 THR A 383 4.764 -9.807 11.279 1.00 0.55 H new ATOM 0 HG21 THR A 383 4.460 -11.995 10.356 1.00 0.55 H new ATOM 0 HG22 THR A 383 3.255 -12.165 9.057 1.00 0.55 H new ATOM 0 HG23 THR A 383 4.787 -11.315 8.744 1.00 0.55 H new ATOM 1238 N GLU A 384 2.143 -7.140 8.806 1.00 0.31 N ATOM 1239 CA GLU A 384 1.365 -5.975 9.203 1.00 0.35 C ATOM 1240 C GLU A 384 0.387 -5.580 8.097 1.00 0.28 C ATOM 1241 O GLU A 384 -0.101 -4.452 8.066 1.00 0.27 O ATOM 1242 CB GLU A 384 2.302 -4.804 9.522 1.00 0.46 C ATOM 1243 CG GLU A 384 3.315 -5.115 10.613 1.00 0.57 C ATOM 1244 CD GLU A 384 4.219 -3.941 10.929 1.00 0.90 C ATOM 1245 OE1 GLU A 384 5.234 -3.758 10.227 1.00 0.95 O ATOM 1246 OE2 GLU A 384 3.926 -3.199 11.888 1.00 1.39 O ATOM 0 H GLU A 384 2.947 -6.926 8.217 1.00 0.31 H new ATOM 0 HA GLU A 384 0.792 -6.227 10.096 1.00 0.35 H new ATOM 0 HB2 GLU A 384 2.834 -4.518 8.615 1.00 0.46 H new ATOM 0 HB3 GLU A 384 1.705 -3.944 9.826 1.00 0.46 H new ATOM 0 HG2 GLU A 384 2.786 -5.414 11.518 1.00 0.57 H new ATOM 0 HG3 GLU A 384 3.925 -5.964 10.304 1.00 0.57 H new ATOM 1253 N GLY A 385 0.086 -6.531 7.214 1.00 0.27 N ATOM 1254 CA GLY A 385 -0.773 -6.269 6.069 1.00 0.27 C ATOM 1255 C GLY A 385 -2.116 -5.658 6.439 1.00 0.26 C ATOM 1256 O GLY A 385 -2.522 -4.649 5.859 1.00 0.27 O ATOM 0 H GLY A 385 0.427 -7.491 7.273 1.00 0.27 H new ATOM 0 HA2 GLY A 385 -0.255 -5.598 5.384 1.00 0.27 H new ATOM 0 HA3 GLY A 385 -0.944 -7.203 5.533 1.00 0.27 H new ATOM 1260 N GLU A 386 -2.804 -6.257 7.405 1.00 0.30 N ATOM 1261 CA GLU A 386 -4.113 -5.759 7.822 1.00 0.35 C ATOM 1262 C GLU A 386 -3.981 -4.397 8.500 1.00 0.31 C ATOM 1263 O GLU A 386 -4.845 -3.533 8.347 1.00 0.36 O ATOM 1264 CB GLU A 386 -4.806 -6.764 8.749 1.00 0.44 C ATOM 1265 CG GLU A 386 -6.199 -6.333 9.187 1.00 0.53 C ATOM 1266 CD GLU A 386 -6.979 -7.454 9.841 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -6.694 -7.781 11.011 1.00 2.28 O ATOM 1268 OE2 GLU A 386 -7.878 -8.021 9.184 1.00 1.77 O ATOM 0 H GLU A 386 -2.482 -7.082 7.911 1.00 0.30 H new ATOM 0 HA GLU A 386 -4.731 -5.637 6.932 1.00 0.35 H new ATOM 0 HB2 GLU A 386 -4.876 -7.726 8.240 1.00 0.44 H new ATOM 0 HB3 GLU A 386 -4.187 -6.916 9.633 1.00 0.44 H new ATOM 0 HG2 GLU A 386 -6.114 -5.500 9.885 1.00 0.53 H new ATOM 0 HG3 GLU A 386 -6.751 -5.969 8.321 1.00 0.53 H new ATOM 1275 N GLN A 387 -2.888 -4.201 9.233 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.609 -2.912 9.860 1.00 0.30 C ATOM 1277 C GLN A 387 -2.478 -1.818 8.805 1.00 0.27 C ATOM 1278 O GLN A 387 -2.979 -0.707 8.989 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.335 -2.979 10.708 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.516 -3.718 12.024 1.00 0.45 C ATOM 1281 CD GLN A 387 -0.247 -3.761 12.852 1.00 1.13 C ATOM 1282 OE1 GLN A 387 0.028 -2.850 13.634 1.00 2.27 O ATOM 1283 NE2 GLN A 387 0.527 -4.824 12.700 1.00 0.83 N ATOM 0 H GLN A 387 -2.182 -4.917 9.407 1.00 0.29 H new ATOM 0 HA GLN A 387 -3.447 -2.671 10.514 1.00 0.30 H new ATOM 0 HB2 GLN A 387 -0.550 -3.469 10.131 1.00 0.35 H new ATOM 0 HB3 GLN A 387 -0.993 -1.965 10.915 1.00 0.35 H new ATOM 0 HG2 GLN A 387 -2.305 -3.236 12.601 1.00 0.45 H new ATOM 0 HG3 GLN A 387 -1.847 -4.737 11.821 1.00 0.45 H new ATOM 0 HE21 GLN A 387 0.263 -5.557 12.041 1.00 0.83 H new ATOM 0 HE22 GLN A 387 1.387 -4.910 13.241 1.00 0.83 H new ATOM 1292 N ILE A 388 -1.811 -2.142 7.700 1.00 0.24 N ATOM 1293 CA ILE A 388 -1.679 -1.212 6.585 1.00 0.23 C ATOM 1294 C ILE A 388 -3.052 -0.877 6.020 1.00 0.22 C ATOM 1295 O ILE A 388 -3.420 0.291 5.894 1.00 0.22 O ATOM 1296 CB ILE A 388 -0.804 -1.793 5.452 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.547 -2.253 5.997 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.608 -0.757 4.354 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.415 -2.944 4.966 1.00 0.29 C ATOM 0 H ILE A 388 -1.354 -3.042 7.554 1.00 0.24 H new ATOM 0 HA ILE A 388 -1.197 -0.313 6.970 1.00 0.23 H new ATOM 0 HB ILE A 388 -1.315 -2.658 5.030 1.00 0.23 H new ATOM 0 HG12 ILE A 388 1.083 -1.390 6.391 1.00 0.27 H new ATOM 0 HG13 ILE A 388 0.380 -2.933 6.833 1.00 0.27 H new ATOM 0 HG21 ILE A 388 0.010 -1.179 3.562 1.00 0.24 H new ATOM 0 HG22 ILE A 388 -1.577 -0.472 3.945 1.00 0.24 H new ATOM 0 HG23 ILE A 388 -0.116 0.123 4.768 1.00 0.24 H new ATOM 0 HD11 ILE A 388 2.358 -3.242 5.425 1.00 0.29 H new ATOM 0 HD12 ILE A 388 0.899 -3.827 4.589 1.00 0.29 H new ATOM 0 HD13 ILE A 388 1.614 -2.260 4.141 1.00 0.29 H new ATOM 1311 N ALA A 389 -3.809 -1.923 5.704 1.00 0.22 N ATOM 1312 CA ALA A 389 -5.152 -1.779 5.158 1.00 0.24 C ATOM 1313 C ALA A 389 -6.023 -0.905 6.052 1.00 0.22 C ATOM 1314 O ALA A 389 -6.668 0.036 5.585 1.00 0.23 O ATOM 1315 CB ALA A 389 -5.789 -3.148 4.995 1.00 0.28 C ATOM 0 H ALA A 389 -3.509 -2.891 5.819 1.00 0.22 H new ATOM 0 HA ALA A 389 -5.073 -1.293 4.185 1.00 0.24 H new ATOM 0 HB1 ALA A 389 -6.793 -3.036 4.586 1.00 0.28 H new ATOM 0 HB2 ALA A 389 -5.186 -3.751 4.316 1.00 0.28 H new ATOM 0 HB3 ALA A 389 -5.845 -3.641 5.965 1.00 0.28 H new ATOM 1321 N GLN A 390 -6.023 -1.223 7.340 1.00 0.22 N ATOM 1322 CA GLN A 390 -6.813 -0.496 8.322 1.00 0.25 C ATOM 1323 C GLN A 390 -6.404 0.971 8.378 1.00 0.21 C ATOM 1324 O GLN A 390 -7.245 1.856 8.536 1.00 0.23 O ATOM 1325 CB GLN A 390 -6.652 -1.138 9.701 1.00 0.34 C ATOM 1326 CG GLN A 390 -7.396 -0.413 10.808 1.00 0.50 C ATOM 1327 CD GLN A 390 -7.153 -1.035 12.166 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -6.210 -0.670 12.869 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -8.005 -1.969 12.549 1.00 1.61 N ATOM 0 H GLN A 390 -5.477 -1.990 7.731 1.00 0.22 H new ATOM 0 HA GLN A 390 -7.860 -0.545 8.021 1.00 0.25 H new ATOM 0 HB2 GLN A 390 -7.004 -2.169 9.654 1.00 0.34 H new ATOM 0 HB3 GLN A 390 -5.592 -1.174 9.952 1.00 0.34 H new ATOM 0 HG2 GLN A 390 -7.085 0.631 10.828 1.00 0.50 H new ATOM 0 HG3 GLN A 390 -8.464 -0.423 10.592 1.00 0.50 H new ATOM 0 HE21 GLN A 390 -8.773 -2.242 11.935 1.00 1.61 H new ATOM 0 HE22 GLN A 390 -7.895 -2.418 13.458 1.00 1.61 H new ATOM 1338 N LEU A 391 -5.111 1.231 8.243 1.00 0.21 N ATOM 1339 CA LEU A 391 -4.609 2.592 8.325 1.00 0.22 C ATOM 1340 C LEU A 391 -4.980 3.380 7.071 1.00 0.20 C ATOM 1341 O LEU A 391 -5.392 4.536 7.159 1.00 0.22 O ATOM 1342 CB LEU A 391 -3.094 2.603 8.534 1.00 0.26 C ATOM 1343 CG LEU A 391 -2.515 3.965 8.907 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -3.090 4.445 10.232 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -1.000 3.904 8.976 1.00 0.63 C ATOM 0 H LEU A 391 -4.397 0.522 8.077 1.00 0.21 H new ATOM 0 HA LEU A 391 -5.076 3.072 9.185 1.00 0.22 H new ATOM 0 HB2 LEU A 391 -2.843 1.889 9.318 1.00 0.26 H new ATOM 0 HB3 LEU A 391 -2.612 2.255 7.620 1.00 0.26 H new ATOM 0 HG LEU A 391 -2.793 4.678 8.131 1.00 0.27 H new ATOM 0 HD11 LEU A 391 -2.666 5.417 10.482 1.00 0.60 H new ATOM 0 HD12 LEU A 391 -4.173 4.532 10.148 1.00 0.60 H new ATOM 0 HD13 LEU A 391 -2.843 3.729 11.016 1.00 0.60 H new ATOM 0 HD21 LEU A 391 -0.608 4.885 9.243 1.00 0.63 H new ATOM 0 HD22 LEU A 391 -0.699 3.176 9.729 1.00 0.63 H new ATOM 0 HD23 LEU A 391 -0.603 3.607 8.005 1.00 0.63 H new ATOM 1357 N ILE A 392 -4.848 2.747 5.905 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.238 3.382 4.647 1.00 0.17 C ATOM 1359 C ILE A 392 -6.725 3.709 4.671 1.00 0.17 C ATOM 1360 O ILE A 392 -7.127 4.835 4.381 1.00 0.19 O ATOM 1361 CB ILE A 392 -4.935 2.490 3.421 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.446 2.140 3.371 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.358 3.192 2.132 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -3.074 1.218 2.232 1.00 0.21 C ATOM 0 H ILE A 392 -4.477 1.802 5.806 1.00 0.18 H new ATOM 0 HA ILE A 392 -4.649 4.294 4.552 1.00 0.17 H new ATOM 0 HB ILE A 392 -5.507 1.567 3.517 1.00 0.17 H new ATOM 0 HG12 ILE A 392 -2.869 3.060 3.284 1.00 0.19 H new ATOM 0 HG13 ILE A 392 -3.160 1.672 4.313 1.00 0.19 H new ATOM 0 HG21 ILE A 392 -5.138 2.550 1.279 1.00 0.19 H new ATOM 0 HG22 ILE A 392 -6.428 3.398 2.164 1.00 0.19 H new ATOM 0 HG23 ILE A 392 -4.811 4.129 2.032 1.00 0.19 H new ATOM 0 HD11 ILE A 392 -2.003 1.016 2.263 1.00 0.21 H new ATOM 0 HD12 ILE A 392 -3.623 0.281 2.328 1.00 0.21 H new ATOM 0 HD13 ILE A 392 -3.327 1.691 1.283 1.00 0.21 H new ATOM 1376 N ALA A 393 -7.534 2.725 5.050 1.00 0.18 N ATOM 1377 CA ALA A 393 -8.975 2.915 5.154 1.00 0.21 C ATOM 1378 C ALA A 393 -9.304 3.978 6.200 1.00 0.23 C ATOM 1379 O ALA A 393 -10.303 4.680 6.087 1.00 0.29 O ATOM 1380 CB ALA A 393 -9.662 1.598 5.492 1.00 0.24 C ATOM 0 H ALA A 393 -7.215 1.787 5.290 1.00 0.18 H new ATOM 0 HA ALA A 393 -9.347 3.260 4.189 1.00 0.21 H new ATOM 0 HB1 ALA A 393 -10.738 1.757 5.566 1.00 0.24 H new ATOM 0 HB2 ALA A 393 -9.456 0.869 4.708 1.00 0.24 H new ATOM 0 HB3 ALA A 393 -9.284 1.224 6.444 1.00 0.24 H new ATOM 1386 N GLY A 394 -8.444 4.098 7.206 1.00 0.23 N ATOM 1387 CA GLY A 394 -8.625 5.108 8.231 1.00 0.27 C ATOM 1388 C GLY A 394 -8.422 6.512 7.695 1.00 0.28 C ATOM 1389 O GLY A 394 -9.237 7.401 7.945 1.00 0.35 O ATOM 0 H GLY A 394 -7.620 3.509 7.329 1.00 0.23 H new ATOM 0 HA2 GLY A 394 -9.628 5.022 8.650 1.00 0.27 H new ATOM 0 HA3 GLY A 394 -7.923 4.927 9.045 1.00 0.27 H new ATOM 1393 N TYR A 395 -7.337 6.711 6.954 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.065 8.003 6.333 1.00 0.30 C ATOM 1395 C TYR A 395 -8.098 8.303 5.256 1.00 0.30 C ATOM 1396 O TYR A 395 -8.557 9.439 5.113 1.00 0.36 O ATOM 1397 CB TYR A 395 -5.667 8.031 5.715 1.00 0.31 C ATOM 1398 CG TYR A 395 -4.539 7.945 6.719 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -4.500 8.778 7.831 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -3.506 7.038 6.546 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -3.461 8.704 8.741 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -2.467 6.961 7.449 1.00 0.51 C ATOM 1403 CZ TYR A 395 -2.447 7.793 8.543 1.00 0.58 C ATOM 1404 OH TYR A 395 -1.407 7.715 9.442 1.00 0.70 O ATOM 0 H TYR A 395 -6.633 5.996 6.769 1.00 0.27 H new ATOM 0 HA TYR A 395 -7.121 8.764 7.112 1.00 0.30 H new ATOM 0 HB2 TYR A 395 -5.577 7.202 5.013 1.00 0.31 H new ATOM 0 HB3 TYR A 395 -5.556 8.950 5.139 1.00 0.31 H new ATOM 0 HD1 TYR A 395 -5.293 9.494 7.987 1.00 0.48 H new ATOM 0 HD2 TYR A 395 -3.515 6.380 5.689 1.00 0.41 H new ATOM 0 HE1 TYR A 395 -3.445 9.356 9.601 1.00 0.58 H new ATOM 0 HE2 TYR A 395 -1.670 6.248 7.297 1.00 0.51 H new ATOM 0 HH TYR A 395 -0.585 7.466 8.970 1.00 0.70 H new ATOM 1414 N ILE A 396 -8.456 7.274 4.501 1.00 0.27 N ATOM 1415 CA ILE A 396 -9.470 7.391 3.465 1.00 0.31 C ATOM 1416 C ILE A 396 -10.822 7.748 4.074 1.00 0.37 C ATOM 1417 O ILE A 396 -11.575 8.522 3.499 1.00 0.45 O ATOM 1418 CB ILE A 396 -9.545 6.087 2.627 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -8.371 6.074 1.636 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -10.895 5.939 1.918 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -8.117 4.737 0.976 1.00 0.42 C ATOM 0 H ILE A 396 -8.054 6.341 4.589 1.00 0.27 H new ATOM 0 HA ILE A 396 -9.190 8.201 2.791 1.00 0.31 H new ATOM 0 HB ILE A 396 -9.465 5.227 3.291 1.00 0.33 H new ATOM 0 HG12 ILE A 396 -8.559 6.817 0.861 1.00 0.34 H new ATOM 0 HG13 ILE A 396 -7.467 6.383 2.161 1.00 0.34 H new ATOM 0 HG21 ILE A 396 -10.904 5.013 1.343 1.00 0.38 H new ATOM 0 HG22 ILE A 396 -11.694 5.914 2.659 1.00 0.38 H new ATOM 0 HG23 ILE A 396 -11.048 6.784 1.247 1.00 0.38 H new ATOM 0 HD11 ILE A 396 -7.271 4.823 0.294 1.00 0.42 H new ATOM 0 HD12 ILE A 396 -7.894 3.991 1.739 1.00 0.42 H new ATOM 0 HD13 ILE A 396 -9.003 4.432 0.419 1.00 0.42 H new ATOM 1433 N ASP A 397 -11.093 7.228 5.262 1.00 0.38 N ATOM 1434 CA ASP A 397 -12.326 7.543 5.986 1.00 0.47 C ATOM 1435 C ASP A 397 -12.422 9.039 6.295 1.00 0.51 C ATOM 1436 O ASP A 397 -13.514 9.599 6.365 1.00 0.63 O ATOM 1437 CB ASP A 397 -12.391 6.732 7.285 1.00 0.52 C ATOM 1438 CG ASP A 397 -13.607 7.060 8.125 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -14.726 6.664 7.735 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -13.449 7.722 9.172 1.00 0.99 O ATOM 0 H ASP A 397 -10.474 6.582 5.752 1.00 0.38 H new ATOM 0 HA ASP A 397 -13.170 7.276 5.350 1.00 0.47 H new ATOM 0 HB2 ASP A 397 -12.399 5.669 7.044 1.00 0.52 H new ATOM 0 HB3 ASP A 397 -11.491 6.920 7.870 1.00 0.52 H new ATOM 1445 N ILE A 398 -11.271 9.680 6.456 1.00 0.47 N ATOM 1446 CA ILE A 398 -11.220 11.110 6.750 1.00 0.53 C ATOM 1447 C ILE A 398 -11.563 11.932 5.504 1.00 0.55 C ATOM 1448 O ILE A 398 -12.167 13.001 5.595 1.00 0.65 O ATOM 1449 CB ILE A 398 -9.822 11.523 7.270 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -9.454 10.703 8.512 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -9.781 13.014 7.585 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -8.059 10.978 9.033 1.00 0.81 C ATOM 0 H ILE A 398 -10.357 9.232 6.388 1.00 0.47 H new ATOM 0 HA ILE A 398 -11.958 11.311 7.527 1.00 0.53 H new ATOM 0 HB ILE A 398 -9.091 11.320 6.488 1.00 0.54 H new ATOM 0 HG12 ILE A 398 -10.175 10.913 9.302 1.00 0.57 H new ATOM 0 HG13 ILE A 398 -9.541 9.643 8.275 1.00 0.57 H new ATOM 0 HG21 ILE A 398 -8.789 13.282 7.949 1.00 0.62 H new ATOM 0 HG22 ILE A 398 -10.002 13.583 6.682 1.00 0.62 H new ATOM 0 HG23 ILE A 398 -10.523 13.245 8.350 1.00 0.62 H new ATOM 0 HD11 ILE A 398 -7.871 10.362 9.912 1.00 0.81 H new ATOM 0 HD12 ILE A 398 -7.328 10.740 8.260 1.00 0.81 H new ATOM 0 HD13 ILE A 398 -7.972 12.031 9.303 1.00 0.81 H new ATOM 1464 N ILE A 399 -11.184 11.419 4.342 1.00 0.50 N ATOM 1465 CA ILE A 399 -11.432 12.112 3.081 1.00 0.52 C ATOM 1466 C ILE A 399 -12.791 11.716 2.511 1.00 0.59 C ATOM 1467 O ILE A 399 -13.433 12.484 1.793 1.00 0.72 O ATOM 1468 CB ILE A 399 -10.328 11.791 2.045 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -8.946 12.091 2.632 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -10.542 12.590 0.764 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -7.798 11.731 1.713 1.00 0.48 C ATOM 0 H ILE A 399 -10.703 10.525 4.244 1.00 0.50 H new ATOM 0 HA ILE A 399 -11.424 13.183 3.285 1.00 0.52 H new ATOM 0 HB ILE A 399 -10.384 10.730 1.802 1.00 0.47 H new ATOM 0 HG12 ILE A 399 -8.887 13.152 2.873 1.00 0.47 H new ATOM 0 HG13 ILE A 399 -8.834 11.545 3.569 1.00 0.47 H new ATOM 0 HG21 ILE A 399 -9.755 12.349 0.049 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -11.512 12.337 0.335 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -10.513 13.656 0.991 1.00 0.50 H new ATOM 0 HD11 ILE A 399 -6.853 11.973 2.199 1.00 0.48 H new ATOM 0 HD12 ILE A 399 -7.830 10.664 1.492 1.00 0.48 H new ATOM 0 HD13 ILE A 399 -7.884 12.296 0.785 1.00 0.48 H new ATOM 1603 N TRP B 374 -10.315 -8.644 0.075 1.00 1.08 N ATOM 1604 CA TRP B 374 -10.418 -7.566 -0.899 1.00 0.61 C ATOM 1605 C TRP B 374 -11.306 -6.448 -0.373 1.00 0.55 C ATOM 1606 O TRP B 374 -12.485 -6.651 -0.083 1.00 0.90 O ATOM 1607 CB TRP B 374 -10.958 -8.093 -2.228 1.00 0.88 C ATOM 1608 CG TRP B 374 -10.039 -9.070 -2.901 1.00 0.97 C ATOM 1609 CD1 TRP B 374 -10.035 -10.429 -2.755 1.00 1.38 C ATOM 1610 CD2 TRP B 374 -8.988 -8.764 -3.829 1.00 0.81 C ATOM 1611 NE1 TRP B 374 -9.048 -10.985 -3.530 1.00 1.42 N ATOM 1612 CE2 TRP B 374 -8.392 -9.985 -4.200 1.00 1.02 C ATOM 1613 CE3 TRP B 374 -8.493 -7.579 -4.385 1.00 0.85 C ATOM 1614 CZ2 TRP B 374 -7.329 -10.054 -5.098 1.00 0.98 C ATOM 1615 CZ3 TRP B 374 -7.438 -7.650 -5.277 1.00 0.97 C ATOM 1616 CH2 TRP B 374 -6.868 -8.880 -5.626 1.00 0.88 C ATOM 0 HA TRP B 374 -9.419 -7.162 -1.066 1.00 0.61 H new ATOM 0 HB2 TRP B 374 -11.922 -8.572 -2.055 1.00 0.88 H new ATOM 0 HB3 TRP B 374 -11.136 -7.252 -2.898 1.00 0.88 H new ATOM 0 HD1 TRP B 374 -10.711 -10.985 -2.122 1.00 1.38 H new ATOM 0 HE1 TRP B 374 -8.837 -11.981 -3.597 1.00 1.42 H new ATOM 0 HE3 TRP B 374 -8.927 -6.626 -4.122 1.00 0.85 H new ATOM 0 HZ2 TRP B 374 -6.885 -11.001 -5.367 1.00 0.98 H new ATOM 0 HZ3 TRP B 374 -7.048 -6.741 -5.711 1.00 0.97 H new ATOM 0 HH2 TRP B 374 -6.047 -8.902 -6.327 1.00 0.88 H new ATOM 1627 N VAL B 375 -10.724 -5.271 -0.246 1.00 0.40 N ATOM 1628 CA VAL B 375 -11.452 -4.109 0.247 1.00 0.38 C ATOM 1629 C VAL B 375 -11.684 -3.121 -0.886 1.00 0.44 C ATOM 1630 O VAL B 375 -10.737 -2.663 -1.526 1.00 0.53 O ATOM 1631 CB VAL B 375 -10.715 -3.404 1.411 1.00 0.48 C ATOM 1632 CG1 VAL B 375 -11.538 -2.233 1.937 1.00 0.84 C ATOM 1633 CG2 VAL B 375 -10.419 -4.390 2.539 1.00 1.07 C ATOM 0 H VAL B 375 -9.747 -5.090 -0.477 1.00 0.40 H new ATOM 0 HA VAL B 375 -12.408 -4.466 0.631 1.00 0.38 H new ATOM 0 HB VAL B 375 -9.769 -3.020 1.029 1.00 0.48 H new ATOM 0 HG11 VAL B 375 -11.003 -1.750 2.755 1.00 0.84 H new ATOM 0 HG12 VAL B 375 -11.700 -1.513 1.135 1.00 0.84 H new ATOM 0 HG13 VAL B 375 -12.500 -2.597 2.298 1.00 0.84 H new ATOM 0 HG21 VAL B 375 -9.901 -3.874 3.347 1.00 1.07 H new ATOM 0 HG22 VAL B 375 -11.354 -4.805 2.915 1.00 1.07 H new ATOM 0 HG23 VAL B 375 -9.790 -5.196 2.162 1.00 1.07 H new ATOM 1643 N GLU B 376 -12.947 -2.800 -1.125 1.00 0.51 N ATOM 1644 CA GLU B 376 -13.332 -1.959 -2.247 1.00 0.63 C ATOM 1645 C GLU B 376 -13.430 -0.499 -1.821 1.00 0.52 C ATOM 1646 O GLU B 376 -14.367 -0.105 -1.124 1.00 0.61 O ATOM 1647 CB GLU B 376 -14.669 -2.438 -2.822 1.00 0.86 C ATOM 1648 CG GLU B 376 -14.645 -3.873 -3.342 1.00 1.43 C ATOM 1649 CD GLU B 376 -13.924 -4.024 -4.666 1.00 1.69 C ATOM 1650 OE1 GLU B 376 -12.750 -3.604 -4.751 1.00 2.28 O ATOM 1651 OE2 GLU B 376 -14.519 -4.537 -5.634 1.00 2.06 O ATOM 0 H GLU B 376 -13.729 -3.113 -0.550 1.00 0.51 H new ATOM 0 HA GLU B 376 -12.565 -2.035 -3.018 1.00 0.63 H new ATOM 0 HB2 GLU B 376 -15.435 -2.355 -2.051 1.00 0.86 H new ATOM 0 HB3 GLU B 376 -14.962 -1.773 -3.635 1.00 0.86 H new ATOM 0 HG2 GLU B 376 -14.165 -4.512 -2.601 1.00 1.43 H new ATOM 0 HG3 GLU B 376 -15.670 -4.228 -3.453 1.00 1.43 H new ATOM 1658 N ASN B 377 -12.456 0.299 -2.237 1.00 0.54 N ATOM 1659 CA ASN B 377 -12.443 1.721 -1.893 1.00 0.58 C ATOM 1660 C ASN B 377 -13.186 2.525 -2.951 1.00 0.50 C ATOM 1661 O ASN B 377 -13.334 2.077 -4.088 1.00 0.65 O ATOM 1662 CB ASN B 377 -11.016 2.251 -1.736 1.00 0.83 C ATOM 1663 CG ASN B 377 -10.991 3.690 -1.270 1.00 0.88 C ATOM 1664 OD1 ASN B 377 -11.918 4.048 -0.392 1.00 1.83 O flip ATOM 1665 ND2 ASN B 377 -10.138 4.466 -1.676 1.00 1.23 N flip ATOM 0 H ASN B 377 -11.669 -0.007 -2.809 1.00 0.54 H new ATOM 0 HA ASN B 377 -12.948 1.834 -0.934 1.00 0.58 H new ATOM 0 HB2 ASN B 377 -10.476 1.630 -1.022 1.00 0.83 H new ATOM 0 HB3 ASN B 377 -10.493 2.170 -2.689 1.00 0.83 H new ATOM 0 HD21 ASN B 377 -9.442 4.151 -2.352 1.00 1.23 H new ATOM 0 HD22 ASN B 377 -10.122 5.429 -1.339 1.00 1.23 H new ATOM 1672 N GLU B 378 -13.650 3.714 -2.581 1.00 0.43 N ATOM 1673 CA GLU B 378 -14.524 4.477 -3.451 1.00 0.51 C ATOM 1674 C GLU B 378 -13.972 5.849 -3.815 1.00 0.44 C ATOM 1675 O GLU B 378 -14.718 6.700 -4.303 1.00 0.53 O ATOM 1676 CB GLU B 378 -15.898 4.638 -2.796 1.00 0.71 C ATOM 1677 CG GLU B 378 -16.559 3.329 -2.390 1.00 0.87 C ATOM 1678 CD GLU B 378 -17.889 3.542 -1.699 1.00 1.05 C ATOM 1679 OE1 GLU B 378 -18.918 3.668 -2.395 1.00 1.88 O ATOM 1680 OE2 GLU B 378 -17.914 3.578 -0.451 1.00 1.39 O ATOM 0 H GLU B 378 -13.435 4.164 -1.691 1.00 0.43 H new ATOM 0 HA GLU B 378 -14.603 3.912 -4.380 1.00 0.51 H new ATOM 0 HB2 GLU B 378 -15.794 5.268 -1.912 1.00 0.71 H new ATOM 0 HB3 GLU B 378 -16.557 5.164 -3.487 1.00 0.71 H new ATOM 0 HG2 GLU B 378 -16.708 2.711 -3.275 1.00 0.87 H new ATOM 0 HG3 GLU B 378 -15.892 2.779 -1.726 1.00 0.87 H new ATOM 1687 N ILE B 379 -12.686 6.080 -3.622 1.00 0.36 N ATOM 1688 CA ILE B 379 -12.125 7.371 -4.043 1.00 0.38 C ATOM 1689 C ILE B 379 -11.235 7.238 -5.267 1.00 0.48 C ATOM 1690 O ILE B 379 -10.513 8.170 -5.614 1.00 1.17 O ATOM 1691 CB ILE B 379 -11.355 8.136 -2.939 1.00 0.38 C ATOM 1692 CG1 ILE B 379 -10.167 7.330 -2.389 1.00 0.37 C ATOM 1693 CG2 ILE B 379 -12.297 8.541 -1.806 1.00 0.43 C ATOM 1694 CD1 ILE B 379 -9.458 8.014 -1.225 1.00 0.44 C ATOM 0 H ILE B 379 -12.027 5.429 -3.196 1.00 0.36 H new ATOM 0 HA ILE B 379 -13.006 7.964 -4.287 1.00 0.38 H new ATOM 0 HB ILE B 379 -10.948 9.036 -3.400 1.00 0.38 H new ATOM 0 HG12 ILE B 379 -10.521 6.351 -2.065 1.00 0.37 H new ATOM 0 HG13 ILE B 379 -9.450 7.160 -3.192 1.00 0.37 H new ATOM 0 HG21 ILE B 379 -11.736 9.077 -1.041 1.00 0.43 H new ATOM 0 HG22 ILE B 379 -13.083 9.186 -2.199 1.00 0.43 H new ATOM 0 HG23 ILE B 379 -12.745 7.649 -1.369 1.00 0.43 H new ATOM 0 HD11 ILE B 379 -8.630 7.391 -0.886 1.00 0.44 H new ATOM 0 HD12 ILE B 379 -9.074 8.981 -1.550 1.00 0.44 H new ATOM 0 HD13 ILE B 379 -10.162 8.160 -0.405 1.00 0.44 H new ATOM 1706 N TYR B 380 -11.315 6.101 -5.938 1.00 0.45 N ATOM 1707 CA TYR B 380 -10.572 5.905 -7.176 1.00 0.42 C ATOM 1708 C TYR B 380 -11.257 6.662 -8.309 1.00 0.46 C ATOM 1709 O TYR B 380 -12.227 6.178 -8.897 1.00 0.58 O ATOM 1710 CB TYR B 380 -10.452 4.416 -7.519 1.00 0.48 C ATOM 1711 CG TYR B 380 -9.640 4.146 -8.764 1.00 0.45 C ATOM 1712 CD1 TYR B 380 -8.283 4.431 -8.807 1.00 0.49 C ATOM 1713 CD2 TYR B 380 -10.230 3.601 -9.895 1.00 0.54 C ATOM 1714 CE1 TYR B 380 -7.537 4.183 -9.939 1.00 0.51 C ATOM 1715 CE2 TYR B 380 -9.491 3.346 -11.033 1.00 0.54 C ATOM 1716 CZ TYR B 380 -8.145 3.639 -11.050 1.00 0.47 C ATOM 1717 OH TYR B 380 -7.405 3.394 -12.185 1.00 0.52 O ATOM 0 H TYR B 380 -11.882 5.303 -5.651 1.00 0.45 H new ATOM 0 HA TYR B 380 -9.563 6.295 -7.042 1.00 0.42 H new ATOM 0 HB2 TYR B 380 -9.997 3.893 -6.678 1.00 0.48 H new ATOM 0 HB3 TYR B 380 -11.451 4.000 -7.650 1.00 0.48 H new ATOM 0 HD1 TYR B 380 -7.802 4.855 -7.938 1.00 0.49 H new ATOM 0 HD2 TYR B 380 -11.285 3.372 -9.885 1.00 0.54 H new ATOM 0 HE1 TYR B 380 -6.482 4.414 -9.955 1.00 0.51 H new ATOM 0 HE2 TYR B 380 -9.965 2.919 -11.905 1.00 0.54 H new ATOM 0 HH TYR B 380 -7.984 3.009 -12.876 1.00 0.52 H new ATOM 1727 N TYR B 381 -10.778 7.869 -8.578 1.00 0.55 N ATOM 1728 CA TYR B 381 -11.368 8.724 -9.580 1.00 0.70 C ATOM 1729 C TYR B 381 -10.921 8.347 -11.002 1.00 0.79 C ATOM 1730 O TYR B 381 -11.315 7.263 -11.487 1.00 1.31 O ATOM 1731 CB TYR B 381 -11.041 10.199 -9.241 1.00 1.01 C ATOM 1732 CG TYR B 381 -9.564 10.582 -9.125 1.00 1.28 C ATOM 1733 CD1 TYR B 381 -8.526 9.693 -9.411 1.00 1.73 C ATOM 1734 CD2 TYR B 381 -9.220 11.867 -8.724 1.00 1.66 C ATOM 1735 CE1 TYR B 381 -7.202 10.078 -9.298 1.00 2.35 C ATOM 1736 CE2 TYR B 381 -7.901 12.257 -8.608 1.00 2.20 C ATOM 1737 CZ TYR B 381 -6.897 11.360 -8.895 1.00 2.50 C ATOM 1738 OH TYR B 381 -5.580 11.748 -8.770 1.00 3.20 O ATOM 1739 OXT TYR B 381 -10.217 9.145 -11.651 1.00 1.47 O ATOM 0 H TYR B 381 -9.971 8.276 -8.105 1.00 0.55 H new ATOM 0 HA TYR B 381 -12.449 8.587 -9.566 1.00 0.70 H new ATOM 0 HB2 TYR B 381 -11.494 10.829 -10.006 1.00 1.01 H new ATOM 0 HB3 TYR B 381 -11.528 10.444 -8.297 1.00 1.01 H new ATOM 0 HD1 TYR B 381 -8.761 8.687 -9.726 1.00 1.73 H new ATOM 0 HD2 TYR B 381 -10.002 12.577 -8.498 1.00 1.66 H new ATOM 0 HE1 TYR B 381 -6.412 9.378 -9.524 1.00 2.35 H new ATOM 0 HE2 TYR B 381 -7.658 13.261 -8.294 1.00 2.20 H new ATOM 0 HH TYR B 381 -5.023 10.962 -8.588 1.00 3.20 H new