USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=24 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 367 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 379 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 352 SER OG : rot -123:sc= 1.22 USER MOD Set 2.2: A 354 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.1: A 333 THR OG1 : rot -142:sc= 1.91 USER MOD Set 3.2: A 336 CYS SG : rot 134:sc= 1.09 USER MOD Single : A 311 SER OG : rot 27:sc= 0.194 USER MOD Single : A 316 LYS NZ :NH3+ -108:sc= 0.309 (180deg=-0.679) USER MOD Single : A 334 LYS NZ :NH3+ 141:sc= 1.17 (180deg=0.433) USER MOD Single : A 338 MET CE :methyl 164:sc= -0.122 (180deg=-0.55) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 344 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 345 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.115) USER MOD Single : A 349 GLN : amide:sc= 1.09 K(o=1.1,f=-5.6!) USER MOD Single : A 355 ASN : amide:sc= -0.157 K(o=-0.16,f=-1) USER MOD Single : A 357 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0509) USER MOD Single : A 362 SER OG : rot 180:sc= 0 USER MOD Single : A 364 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.115) USER MOD Single : A 365 SER OG : rot 180:sc= -0.139 USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 374 GLN : amide:sc= -0.862 K(o=-0.86,f=0) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 TYR OH : rot 0:sc= -0.0115 USER MOD Single : A 381 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.2) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0.089 USER MOD Single : A 383 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 387 GLN : amide:sc= 0.172 X(o=0.17,f=-0.022) USER MOD Single : A 390 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : B 377 ASN : amide:sc= -3.34! C(o=-3.3!,f=-12!) USER MOD Single : B 380 TYR OH : rot 26:sc= 1.35 USER MOD Single : B 381 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N SER A 311 2.503 6.545 9.038 1.00 0.71 N ATOM 27 CA SER A 311 2.701 5.153 9.388 1.00 0.41 C ATOM 28 C SER A 311 3.696 4.490 8.448 1.00 0.34 C ATOM 29 O SER A 311 3.434 4.344 7.255 1.00 0.47 O ATOM 30 CB SER A 311 1.360 4.424 9.346 1.00 0.59 C ATOM 31 OG SER A 311 0.394 5.109 10.130 1.00 1.06 O ATOM 0 HA SER A 311 3.111 5.099 10.396 1.00 0.41 H new ATOM 0 HB2 SER A 311 1.013 4.349 8.315 1.00 0.59 H new ATOM 0 HB3 SER A 311 1.481 3.406 9.716 1.00 0.59 H new ATOM 0 HG SER A 311 0.618 6.062 10.166 1.00 1.06 H new ATOM 37 N PHE A 312 4.846 4.115 8.985 1.00 0.29 N ATOM 38 CA PHE A 312 5.851 3.407 8.212 1.00 0.27 C ATOM 39 C PHE A 312 5.772 1.913 8.475 1.00 0.26 C ATOM 40 O PHE A 312 5.862 1.463 9.619 1.00 0.34 O ATOM 41 CB PHE A 312 7.257 3.917 8.534 1.00 0.31 C ATOM 42 CG PHE A 312 7.605 5.204 7.843 1.00 0.34 C ATOM 43 CD1 PHE A 312 8.119 5.190 6.557 1.00 0.33 C ATOM 44 CD2 PHE A 312 7.422 6.422 8.475 1.00 0.45 C ATOM 45 CE1 PHE A 312 8.446 6.368 5.913 1.00 0.38 C ATOM 46 CE2 PHE A 312 7.746 7.603 7.835 1.00 0.52 C ATOM 47 CZ PHE A 312 8.259 7.575 6.553 1.00 0.47 C ATOM 0 H PHE A 312 5.106 4.290 9.956 1.00 0.29 H new ATOM 0 HA PHE A 312 5.650 3.594 7.157 1.00 0.27 H new ATOM 0 HB2 PHE A 312 7.345 4.058 9.611 1.00 0.31 H new ATOM 0 HB3 PHE A 312 7.984 3.155 8.252 1.00 0.31 H new ATOM 0 HD1 PHE A 312 8.266 4.247 6.051 1.00 0.33 H new ATOM 0 HD2 PHE A 312 7.022 6.449 9.478 1.00 0.45 H new ATOM 0 HE1 PHE A 312 8.847 6.343 4.911 1.00 0.38 H new ATOM 0 HE2 PHE A 312 7.598 8.548 8.337 1.00 0.52 H new ATOM 0 HZ PHE A 312 8.513 8.497 6.052 1.00 0.47 H new ATOM 57 N PHE A 313 5.586 1.155 7.411 1.00 0.24 N ATOM 58 CA PHE A 313 5.558 -0.293 7.501 1.00 0.26 C ATOM 59 C PHE A 313 6.813 -0.873 6.873 1.00 0.26 C ATOM 60 O PHE A 313 7.201 -0.479 5.770 1.00 0.26 O ATOM 61 CB PHE A 313 4.324 -0.858 6.794 1.00 0.28 C ATOM 62 CG PHE A 313 3.019 -0.416 7.391 1.00 0.30 C ATOM 63 CD1 PHE A 313 2.472 -1.090 8.471 1.00 0.34 C ATOM 64 CD2 PHE A 313 2.333 0.667 6.864 1.00 0.32 C ATOM 65 CE1 PHE A 313 1.266 -0.692 9.015 1.00 0.40 C ATOM 66 CE2 PHE A 313 1.126 1.067 7.401 1.00 0.37 C ATOM 67 CZ PHE A 313 0.592 0.387 8.477 1.00 0.41 C ATOM 0 H PHE A 313 5.451 1.521 6.468 1.00 0.24 H new ATOM 0 HA PHE A 313 5.514 -0.570 8.554 1.00 0.26 H new ATOM 0 HB2 PHE A 313 4.351 -0.560 5.746 1.00 0.28 H new ATOM 0 HB3 PHE A 313 4.372 -1.947 6.817 1.00 0.28 H new ATOM 0 HD1 PHE A 313 2.994 -1.936 8.892 1.00 0.34 H new ATOM 0 HD2 PHE A 313 2.748 1.204 6.024 1.00 0.32 H new ATOM 0 HE1 PHE A 313 0.851 -1.223 9.859 1.00 0.40 H new ATOM 0 HE2 PHE A 313 0.600 1.911 6.980 1.00 0.37 H new ATOM 0 HZ PHE A 313 -0.352 0.698 8.898 1.00 0.41 H new ATOM 77 N LEU A 314 7.449 -1.800 7.570 1.00 0.36 N ATOM 78 CA LEU A 314 8.631 -2.461 7.046 1.00 0.38 C ATOM 79 C LEU A 314 8.212 -3.657 6.202 1.00 0.37 C ATOM 80 O LEU A 314 8.046 -4.768 6.706 1.00 0.50 O ATOM 81 CB LEU A 314 9.561 -2.902 8.181 1.00 0.51 C ATOM 82 CG LEU A 314 10.889 -3.523 7.736 1.00 0.57 C ATOM 83 CD1 LEU A 314 11.692 -2.536 6.901 1.00 0.54 C ATOM 84 CD2 LEU A 314 11.693 -3.978 8.943 1.00 0.72 C ATOM 0 H LEU A 314 7.166 -2.111 8.499 1.00 0.36 H new ATOM 0 HA LEU A 314 9.181 -1.756 6.422 1.00 0.38 H new ATOM 0 HB2 LEU A 314 9.776 -2.037 8.809 1.00 0.51 H new ATOM 0 HB3 LEU A 314 9.031 -3.624 8.803 1.00 0.51 H new ATOM 0 HG LEU A 314 10.670 -4.394 7.118 1.00 0.57 H new ATOM 0 HD11 LEU A 314 12.631 -2.997 6.596 1.00 0.54 H new ATOM 0 HD12 LEU A 314 11.120 -2.258 6.016 1.00 0.54 H new ATOM 0 HD13 LEU A 314 11.901 -1.645 7.493 1.00 0.54 H new ATOM 0 HD21 LEU A 314 12.633 -4.417 8.609 1.00 0.72 H new ATOM 0 HD22 LEU A 314 11.900 -3.122 9.586 1.00 0.72 H new ATOM 0 HD23 LEU A 314 11.123 -4.722 9.500 1.00 0.72 H new ATOM 96 N VAL A 315 8.003 -3.407 4.922 1.00 0.26 N ATOM 97 CA VAL A 315 7.563 -4.441 4.004 1.00 0.26 C ATOM 98 C VAL A 315 8.725 -4.908 3.142 1.00 0.24 C ATOM 99 O VAL A 315 9.792 -4.295 3.144 1.00 0.27 O ATOM 100 CB VAL A 315 6.411 -3.947 3.100 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.194 -3.581 3.935 1.00 0.30 C ATOM 102 CG2 VAL A 315 6.854 -2.762 2.254 1.00 0.23 C ATOM 0 H VAL A 315 8.132 -2.491 4.493 1.00 0.26 H new ATOM 0 HA VAL A 315 7.193 -5.274 4.601 1.00 0.26 H new ATOM 0 HB VAL A 315 6.137 -4.760 2.428 1.00 0.26 H new ATOM 0 HG11 VAL A 315 4.394 -3.236 3.280 1.00 0.30 H new ATOM 0 HG12 VAL A 315 4.856 -4.457 4.489 1.00 0.30 H new ATOM 0 HG13 VAL A 315 5.458 -2.788 4.635 1.00 0.30 H new ATOM 0 HG21 VAL A 315 6.026 -2.433 1.627 1.00 0.23 H new ATOM 0 HG22 VAL A 315 7.162 -1.945 2.906 1.00 0.23 H new ATOM 0 HG23 VAL A 315 7.692 -3.059 1.623 1.00 0.23 H new ATOM 112 N LYS A 316 8.530 -6.001 2.424 1.00 0.25 N ATOM 113 CA LYS A 316 9.560 -6.514 1.537 1.00 0.28 C ATOM 114 C LYS A 316 9.003 -6.711 0.133 1.00 0.28 C ATOM 115 O LYS A 316 8.077 -7.499 -0.076 1.00 0.28 O ATOM 116 CB LYS A 316 10.132 -7.824 2.086 1.00 0.34 C ATOM 117 CG LYS A 316 10.695 -7.689 3.494 1.00 0.44 C ATOM 118 CD LYS A 316 11.319 -8.984 3.987 1.00 0.55 C ATOM 119 CE LYS A 316 12.613 -9.308 3.254 1.00 0.67 C ATOM 120 NZ LYS A 316 13.616 -8.216 3.380 1.00 1.44 N ATOM 0 H LYS A 316 7.670 -6.549 2.438 1.00 0.25 H new ATOM 0 HA LYS A 316 10.369 -5.785 1.482 1.00 0.28 H new ATOM 0 HB2 LYS A 316 9.350 -8.583 2.086 1.00 0.34 H new ATOM 0 HB3 LYS A 316 10.919 -8.177 1.419 1.00 0.34 H new ATOM 0 HG2 LYS A 316 11.444 -6.897 3.510 1.00 0.44 H new ATOM 0 HG3 LYS A 316 9.899 -7.389 4.175 1.00 0.44 H new ATOM 0 HD2 LYS A 316 11.517 -8.907 5.056 1.00 0.55 H new ATOM 0 HD3 LYS A 316 10.611 -9.802 3.852 1.00 0.55 H new ATOM 0 HE2 LYS A 316 13.032 -10.232 3.651 1.00 0.67 H new ATOM 0 HE3 LYS A 316 12.398 -9.482 2.200 1.00 0.67 H new ATOM 0 HZ1 LYS A 316 13.708 -7.722 2.469 1.00 1.44 H new ATOM 0 HZ2 LYS A 316 13.306 -7.543 4.110 1.00 1.44 H new ATOM 0 HZ3 LYS A 316 14.536 -8.619 3.649 1.00 1.44 H new ATOM 134 N GLU A 317 9.562 -5.979 -0.819 1.00 0.32 N ATOM 135 CA GLU A 317 9.105 -6.020 -2.201 1.00 0.37 C ATOM 136 C GLU A 317 9.600 -7.277 -2.898 1.00 0.45 C ATOM 137 O GLU A 317 10.804 -7.548 -2.930 1.00 0.48 O ATOM 138 CB GLU A 317 9.602 -4.795 -2.968 1.00 0.39 C ATOM 139 CG GLU A 317 9.204 -3.470 -2.344 1.00 0.41 C ATOM 140 CD GLU A 317 9.745 -2.284 -3.113 1.00 0.49 C ATOM 141 OE1 GLU A 317 10.861 -2.380 -3.664 1.00 0.70 O ATOM 142 OE2 GLU A 317 9.074 -1.233 -3.151 1.00 0.61 O ATOM 0 H GLU A 317 10.342 -5.342 -0.657 1.00 0.32 H new ATOM 0 HA GLU A 317 8.015 -6.023 -2.188 1.00 0.37 H new ATOM 0 HB2 GLU A 317 10.689 -4.840 -3.038 1.00 0.39 H new ATOM 0 HB3 GLU A 317 9.215 -4.836 -3.986 1.00 0.39 H new ATOM 0 HG2 GLU A 317 8.117 -3.405 -2.299 1.00 0.41 H new ATOM 0 HG3 GLU A 317 9.569 -3.431 -1.318 1.00 0.41 H new ATOM 275 N LEU A 325 13.777 -10.389 -1.047 1.00 0.61 N ATOM 276 CA LEU A 325 12.781 -9.335 -1.115 1.00 0.49 C ATOM 277 C LEU A 325 13.357 -8.038 -0.564 1.00 0.45 C ATOM 278 O LEU A 325 13.943 -8.019 0.521 1.00 0.55 O ATOM 279 CB LEU A 325 11.511 -9.716 -0.345 1.00 0.47 C ATOM 280 CG LEU A 325 10.715 -10.898 -0.911 1.00 0.53 C ATOM 281 CD1 LEU A 325 11.323 -12.226 -0.486 1.00 0.69 C ATOM 282 CD2 LEU A 325 9.265 -10.814 -0.474 1.00 0.56 C ATOM 0 HA LEU A 325 12.510 -9.194 -2.161 1.00 0.49 H new ATOM 0 HB2 LEU A 325 11.789 -9.949 0.683 1.00 0.47 H new ATOM 0 HB3 LEU A 325 10.856 -8.846 -0.309 1.00 0.47 H new ATOM 0 HG LEU A 325 10.758 -10.844 -1.999 1.00 0.53 H new ATOM 0 HD11 LEU A 325 10.736 -13.045 -0.903 1.00 0.69 H new ATOM 0 HD12 LEU A 325 12.348 -12.291 -0.852 1.00 0.69 H new ATOM 0 HD13 LEU A 325 11.321 -12.296 0.602 1.00 0.69 H new ATOM 0 HD21 LEU A 325 8.712 -11.660 -0.883 1.00 0.56 H new ATOM 0 HD22 LEU A 325 9.211 -10.838 0.614 1.00 0.56 H new ATOM 0 HD23 LEU A 325 8.828 -9.884 -0.839 1.00 0.56 H new ATOM 294 N VAL A 326 13.183 -6.963 -1.313 1.00 0.40 N ATOM 295 CA VAL A 326 13.765 -5.675 -0.965 1.00 0.38 C ATOM 296 C VAL A 326 13.017 -5.028 0.198 1.00 0.32 C ATOM 297 O VAL A 326 11.811 -4.796 0.113 1.00 0.29 O ATOM 298 CB VAL A 326 13.748 -4.709 -2.170 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.501 -3.429 -1.844 1.00 0.45 C ATOM 300 CG2 VAL A 326 14.328 -5.378 -3.407 1.00 0.51 C ATOM 0 H VAL A 326 12.638 -6.956 -2.175 1.00 0.40 H new ATOM 0 HA VAL A 326 14.797 -5.863 -0.670 1.00 0.38 H new ATOM 0 HB VAL A 326 12.711 -4.448 -2.382 1.00 0.42 H new ATOM 0 HG11 VAL A 326 14.477 -2.763 -2.706 1.00 0.45 H new ATOM 0 HG12 VAL A 326 14.031 -2.937 -0.992 1.00 0.45 H new ATOM 0 HG13 VAL A 326 15.536 -3.668 -1.599 1.00 0.45 H new ATOM 0 HG21 VAL A 326 14.306 -4.679 -4.243 1.00 0.51 H new ATOM 0 HG22 VAL A 326 15.358 -5.676 -3.210 1.00 0.51 H new ATOM 0 HG23 VAL A 326 13.736 -6.259 -3.655 1.00 0.51 H new ATOM 310 N PRO A 327 13.717 -4.755 1.310 1.00 0.33 N ATOM 311 CA PRO A 327 13.141 -4.038 2.449 1.00 0.30 C ATOM 312 C PRO A 327 12.703 -2.628 2.059 1.00 0.25 C ATOM 313 O PRO A 327 13.514 -1.811 1.617 1.00 0.32 O ATOM 314 CB PRO A 327 14.285 -3.984 3.469 1.00 0.39 C ATOM 315 CG PRO A 327 15.232 -5.054 3.044 1.00 0.46 C ATOM 316 CD PRO A 327 15.118 -5.133 1.550 1.00 0.42 C ATOM 0 HA PRO A 327 12.248 -4.529 2.835 1.00 0.30 H new ATOM 0 HB2 PRO A 327 14.768 -3.007 3.469 1.00 0.39 H new ATOM 0 HB3 PRO A 327 13.920 -4.159 4.481 1.00 0.39 H new ATOM 0 HG2 PRO A 327 16.252 -4.816 3.346 1.00 0.46 H new ATOM 0 HG3 PRO A 327 14.977 -6.008 3.506 1.00 0.46 H new ATOM 0 HD2 PRO A 327 15.811 -4.453 1.055 1.00 0.42 H new ATOM 0 HD3 PRO A 327 15.336 -6.135 1.180 1.00 0.42 H new ATOM 324 N ARG A 328 11.419 -2.356 2.211 1.00 0.21 N ATOM 325 CA ARG A 328 10.857 -1.078 1.821 1.00 0.23 C ATOM 326 C ARG A 328 10.145 -0.429 2.998 1.00 0.20 C ATOM 327 O ARG A 328 9.444 -1.098 3.756 1.00 0.23 O ATOM 328 CB ARG A 328 9.870 -1.268 0.667 1.00 0.32 C ATOM 329 CG ARG A 328 9.388 0.034 0.053 1.00 0.50 C ATOM 330 CD ARG A 328 10.533 0.778 -0.607 1.00 0.56 C ATOM 331 NE ARG A 328 11.120 0.008 -1.696 1.00 0.47 N ATOM 332 CZ ARG A 328 12.416 -0.007 -1.979 1.00 0.58 C ATOM 333 NH1 ARG A 328 13.252 0.708 -1.247 1.00 0.78 N ATOM 334 NH2 ARG A 328 12.870 -0.742 -2.983 1.00 0.65 N ATOM 0 H ARG A 328 10.742 -3.010 2.605 1.00 0.21 H new ATOM 0 HA ARG A 328 11.670 -0.429 1.497 1.00 0.23 H new ATOM 0 HB2 ARG A 328 10.343 -1.871 -0.108 1.00 0.32 H new ATOM 0 HB3 ARG A 328 9.008 -1.830 1.027 1.00 0.32 H new ATOM 0 HG2 ARG A 328 8.611 -0.172 -0.683 1.00 0.50 H new ATOM 0 HG3 ARG A 328 8.939 0.660 0.824 1.00 0.50 H new ATOM 0 HD2 ARG A 328 10.174 1.733 -0.989 1.00 0.56 H new ATOM 0 HD3 ARG A 328 11.299 1.000 0.136 1.00 0.56 H new ATOM 0 HE ARG A 328 10.497 -0.554 -2.276 1.00 0.47 H new ATOM 0 HH11 ARG A 328 12.900 1.267 -0.470 1.00 0.78 H new ATOM 0 HH12 ARG A 328 14.250 0.701 -1.459 1.00 0.78 H new ATOM 0 HH21 ARG A 328 12.223 -1.299 -3.541 1.00 0.65 H new ATOM 0 HH22 ARG A 328 13.867 -0.751 -3.198 1.00 0.65 H new ATOM 348 N LEU A 329 10.336 0.870 3.154 1.00 0.18 N ATOM 349 CA LEU A 329 9.615 1.621 4.163 1.00 0.20 C ATOM 350 C LEU A 329 8.355 2.209 3.552 1.00 0.19 C ATOM 351 O LEU A 329 8.398 3.233 2.866 1.00 0.24 O ATOM 352 CB LEU A 329 10.491 2.730 4.750 1.00 0.25 C ATOM 353 CG LEU A 329 11.720 2.250 5.525 1.00 0.31 C ATOM 354 CD1 LEU A 329 12.538 3.435 6.012 1.00 0.37 C ATOM 355 CD2 LEU A 329 11.302 1.373 6.695 1.00 0.36 C ATOM 0 H LEU A 329 10.984 1.425 2.595 1.00 0.18 H new ATOM 0 HA LEU A 329 9.342 0.947 4.975 1.00 0.20 H new ATOM 0 HB2 LEU A 329 10.824 3.376 3.938 1.00 0.25 H new ATOM 0 HB3 LEU A 329 9.879 3.341 5.413 1.00 0.25 H new ATOM 0 HG LEU A 329 12.341 1.656 4.854 1.00 0.31 H new ATOM 0 HD11 LEU A 329 13.408 3.075 6.561 1.00 0.37 H new ATOM 0 HD12 LEU A 329 12.867 4.026 5.157 1.00 0.37 H new ATOM 0 HD13 LEU A 329 11.926 4.055 6.667 1.00 0.37 H new ATOM 0 HD21 LEU A 329 12.188 1.040 7.235 1.00 0.36 H new ATOM 0 HD22 LEU A 329 10.661 1.944 7.367 1.00 0.36 H new ATOM 0 HD23 LEU A 329 10.757 0.505 6.323 1.00 0.36 H new ATOM 367 N LEU A 330 7.240 1.534 3.769 1.00 0.17 N ATOM 368 CA LEU A 330 5.969 1.981 3.234 1.00 0.17 C ATOM 369 C LEU A 330 5.420 3.109 4.099 1.00 0.18 C ATOM 370 O LEU A 330 4.916 2.870 5.196 1.00 0.24 O ATOM 371 CB LEU A 330 4.977 0.815 3.170 1.00 0.22 C ATOM 372 CG LEU A 330 3.670 1.105 2.430 1.00 0.26 C ATOM 373 CD1 LEU A 330 3.952 1.502 0.988 1.00 0.57 C ATOM 374 CD2 LEU A 330 2.751 -0.106 2.477 1.00 0.49 C ATOM 0 H LEU A 330 7.191 0.673 4.313 1.00 0.17 H new ATOM 0 HA LEU A 330 6.117 2.354 2.220 1.00 0.17 H new ATOM 0 HB2 LEU A 330 5.467 -0.031 2.688 1.00 0.22 H new ATOM 0 HB3 LEU A 330 4.738 0.507 4.188 1.00 0.22 H new ATOM 0 HG LEU A 330 3.170 1.937 2.927 1.00 0.26 H new ATOM 0 HD11 LEU A 330 3.011 1.705 0.476 1.00 0.57 H new ATOM 0 HD12 LEU A 330 4.574 2.397 0.972 1.00 0.57 H new ATOM 0 HD13 LEU A 330 4.473 0.689 0.482 1.00 0.57 H new ATOM 0 HD21 LEU A 330 1.826 0.118 1.946 1.00 0.49 H new ATOM 0 HD22 LEU A 330 3.244 -0.955 2.004 1.00 0.49 H new ATOM 0 HD23 LEU A 330 2.523 -0.350 3.515 1.00 0.49 H new ATOM 386 N GLY A 331 5.554 4.333 3.611 1.00 0.18 N ATOM 387 CA GLY A 331 5.132 5.487 4.372 1.00 0.22 C ATOM 388 C GLY A 331 3.728 5.921 4.023 1.00 0.22 C ATOM 389 O GLY A 331 3.484 6.457 2.940 1.00 0.29 O ATOM 0 H GLY A 331 5.950 4.547 2.696 1.00 0.18 H new ATOM 0 HA2 GLY A 331 5.185 5.257 5.436 1.00 0.22 H new ATOM 0 HA3 GLY A 331 5.821 6.312 4.189 1.00 0.22 H new ATOM 393 N ILE A 332 2.804 5.680 4.933 1.00 0.22 N ATOM 394 CA ILE A 332 1.421 6.067 4.735 1.00 0.22 C ATOM 395 C ILE A 332 1.146 7.407 5.404 1.00 0.24 C ATOM 396 O ILE A 332 1.248 7.531 6.628 1.00 0.36 O ATOM 397 CB ILE A 332 0.449 5.021 5.314 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.803 3.610 4.828 1.00 0.27 C ATOM 399 CG2 ILE A 332 -0.978 5.370 4.936 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.688 3.426 3.331 1.00 0.27 C ATOM 0 H ILE A 332 2.988 5.215 5.822 1.00 0.22 H new ATOM 0 HA ILE A 332 1.260 6.141 3.660 1.00 0.22 H new ATOM 0 HB ILE A 332 0.540 5.034 6.400 1.00 0.26 H new ATOM 0 HG12 ILE A 332 1.823 3.377 5.135 1.00 0.27 H new ATOM 0 HG13 ILE A 332 0.149 2.892 5.323 1.00 0.27 H new ATOM 0 HG21 ILE A 332 -1.657 4.624 5.350 1.00 0.28 H new ATOM 0 HG22 ILE A 332 -1.230 6.352 5.336 1.00 0.28 H new ATOM 0 HG23 ILE A 332 -1.074 5.384 3.850 1.00 0.28 H new ATOM 0 HD11 ILE A 332 0.955 2.402 3.069 1.00 0.27 H new ATOM 0 HD12 ILE A 332 -0.337 3.625 3.018 1.00 0.27 H new ATOM 0 HD13 ILE A 332 1.363 4.118 2.827 1.00 0.27 H new ATOM 412 N THR A 333 0.812 8.405 4.607 1.00 0.22 N ATOM 413 CA THR A 333 0.481 9.715 5.138 1.00 0.23 C ATOM 414 C THR A 333 -1.024 9.945 5.056 1.00 0.23 C ATOM 415 O THR A 333 -1.774 9.058 4.650 1.00 0.28 O ATOM 416 CB THR A 333 1.206 10.837 4.369 1.00 0.26 C ATOM 417 OG1 THR A 333 0.746 10.875 3.016 1.00 0.34 O ATOM 418 CG2 THR A 333 2.712 10.628 4.386 1.00 0.38 C ATOM 0 H THR A 333 0.763 8.334 3.591 1.00 0.22 H new ATOM 0 HA THR A 333 0.808 9.742 6.178 1.00 0.23 H new ATOM 0 HB THR A 333 0.982 11.783 4.861 1.00 0.26 H new ATOM 0 HG1 THR A 333 1.498 11.073 2.420 1.00 0.34 H new ATOM 0 HG21 THR A 333 3.197 11.434 3.836 1.00 0.38 H new ATOM 0 HG22 THR A 333 3.067 10.626 5.416 1.00 0.38 H new ATOM 0 HG23 THR A 333 2.952 9.673 3.918 1.00 0.38 H new ATOM 426 N LYS A 334 -1.457 11.144 5.418 1.00 0.26 N ATOM 427 CA LYS A 334 -2.871 11.502 5.374 1.00 0.28 C ATOM 428 C LYS A 334 -3.306 11.858 3.953 1.00 0.26 C ATOM 429 O LYS A 334 -4.449 12.259 3.729 1.00 0.43 O ATOM 430 CB LYS A 334 -3.134 12.701 6.289 1.00 0.38 C ATOM 431 CG LYS A 334 -2.320 13.930 5.912 1.00 0.47 C ATOM 432 CD LYS A 334 -2.703 15.142 6.743 1.00 0.63 C ATOM 433 CE LYS A 334 -1.814 16.338 6.431 1.00 0.89 C ATOM 434 NZ LYS A 334 -1.827 16.691 4.985 1.00 1.61 N ATOM 0 H LYS A 334 -0.846 11.891 5.748 1.00 0.26 H new ATOM 0 HA LYS A 334 -3.445 10.639 5.712 1.00 0.28 H new ATOM 0 HB2 LYS A 334 -4.194 12.951 6.255 1.00 0.38 H new ATOM 0 HB3 LYS A 334 -2.905 12.422 7.318 1.00 0.38 H new ATOM 0 HG2 LYS A 334 -1.259 13.718 6.047 1.00 0.47 H new ATOM 0 HG3 LYS A 334 -2.468 14.153 4.855 1.00 0.47 H new ATOM 0 HD2 LYS A 334 -3.744 15.402 6.551 1.00 0.63 H new ATOM 0 HD3 LYS A 334 -2.626 14.897 7.802 1.00 0.63 H new ATOM 0 HE2 LYS A 334 -2.146 17.196 7.015 1.00 0.89 H new ATOM 0 HE3 LYS A 334 -0.792 16.118 6.740 1.00 0.89 H new ATOM 0 HZ1 LYS A 334 -1.823 17.726 4.880 1.00 1.61 H new ATOM 0 HZ2 LYS A 334 -0.985 16.293 4.523 1.00 1.61 H new ATOM 0 HZ3 LYS A 334 -2.683 16.301 4.540 1.00 1.61 H new ATOM 448 N GLU A 335 -2.397 11.720 3.000 1.00 0.27 N ATOM 449 CA GLU A 335 -2.650 12.196 1.650 1.00 0.33 C ATOM 450 C GLU A 335 -2.110 11.247 0.581 1.00 0.27 C ATOM 451 O GLU A 335 -2.693 11.134 -0.501 1.00 0.34 O ATOM 452 CB GLU A 335 -2.032 13.588 1.489 1.00 0.46 C ATOM 453 CG GLU A 335 -0.574 13.651 1.923 1.00 0.56 C ATOM 454 CD GLU A 335 -0.040 15.065 2.007 1.00 0.85 C ATOM 455 OE1 GLU A 335 0.449 15.583 0.982 1.00 1.79 O ATOM 456 OE2 GLU A 335 -0.098 15.661 3.106 1.00 1.04 O ATOM 0 H GLU A 335 -1.484 11.286 3.135 1.00 0.27 H new ATOM 0 HA GLU A 335 -3.730 12.242 1.506 1.00 0.33 H new ATOM 0 HB2 GLU A 335 -2.107 13.893 0.445 1.00 0.46 H new ATOM 0 HB3 GLU A 335 -2.609 14.305 2.073 1.00 0.46 H new ATOM 0 HG2 GLU A 335 -0.470 13.171 2.896 1.00 0.56 H new ATOM 0 HG3 GLU A 335 0.033 13.081 1.220 1.00 0.56 H new ATOM 463 N CYS A 336 -1.022 10.548 0.880 1.00 0.23 N ATOM 464 CA CYS A 336 -0.367 9.725 -0.124 1.00 0.24 C ATOM 465 C CYS A 336 0.319 8.502 0.480 1.00 0.21 C ATOM 466 O CYS A 336 0.589 8.444 1.680 1.00 0.28 O ATOM 467 CB CYS A 336 0.657 10.569 -0.887 1.00 0.32 C ATOM 468 SG CYS A 336 1.872 11.385 0.178 1.00 1.10 S ATOM 0 H CYS A 336 -0.580 10.535 1.799 1.00 0.23 H new ATOM 0 HA CYS A 336 -1.138 9.360 -0.802 1.00 0.24 H new ATOM 0 HB2 CYS A 336 1.182 9.931 -1.598 1.00 0.32 H new ATOM 0 HB3 CYS A 336 0.130 11.326 -1.467 1.00 0.32 H new ATOM 0 HG CYS A 336 3.063 11.218 -0.315 1.00 1.10 H new ATOM 474 N VAL A 337 0.584 7.527 -0.374 1.00 0.22 N ATOM 475 CA VAL A 337 1.347 6.346 -0.012 1.00 0.21 C ATOM 476 C VAL A 337 2.706 6.405 -0.700 1.00 0.19 C ATOM 477 O VAL A 337 2.792 6.314 -1.925 1.00 0.22 O ATOM 478 CB VAL A 337 0.614 5.053 -0.439 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.439 3.823 -0.098 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.760 4.974 0.210 1.00 0.32 C ATOM 0 H VAL A 337 0.273 7.534 -1.345 1.00 0.22 H new ATOM 0 HA VAL A 337 1.467 6.328 1.071 1.00 0.21 H new ATOM 0 HB VAL A 337 0.481 5.082 -1.520 1.00 0.26 H new ATOM 0 HG11 VAL A 337 0.902 2.927 -0.408 1.00 0.27 H new ATOM 0 HG12 VAL A 337 2.396 3.871 -0.618 1.00 0.27 H new ATOM 0 HG13 VAL A 337 1.612 3.788 0.978 1.00 0.27 H new ATOM 0 HG21 VAL A 337 -1.258 4.057 -0.104 1.00 0.32 H new ATOM 0 HG22 VAL A 337 -0.651 4.975 1.295 1.00 0.32 H new ATOM 0 HG23 VAL A 337 -1.356 5.834 -0.095 1.00 0.32 H new ATOM 490 N MET A 338 3.763 6.584 0.076 1.00 0.17 N ATOM 491 CA MET A 338 5.093 6.742 -0.493 1.00 0.17 C ATOM 492 C MET A 338 5.968 5.527 -0.214 1.00 0.16 C ATOM 493 O MET A 338 5.939 4.956 0.877 1.00 0.20 O ATOM 494 CB MET A 338 5.771 8.006 0.049 1.00 0.22 C ATOM 495 CG MET A 338 5.954 8.012 1.560 1.00 0.24 C ATOM 496 SD MET A 338 6.895 9.435 2.147 1.00 1.08 S ATOM 497 CE MET A 338 5.890 10.783 1.533 1.00 0.62 C ATOM 0 H MET A 338 3.728 6.623 1.095 1.00 0.17 H new ATOM 0 HA MET A 338 4.974 6.837 -1.572 1.00 0.17 H new ATOM 0 HB2 MET A 338 6.747 8.114 -0.425 1.00 0.22 H new ATOM 0 HB3 MET A 338 5.179 8.875 -0.238 1.00 0.22 H new ATOM 0 HG2 MET A 338 4.975 8.007 2.040 1.00 0.24 H new ATOM 0 HG3 MET A 338 6.462 7.097 1.863 1.00 0.24 H new ATOM 0 HE1 MET A 338 6.169 11.706 2.042 1.00 0.62 H new ATOM 0 HE2 MET A 338 6.050 10.897 0.461 1.00 0.62 H new ATOM 0 HE3 MET A 338 4.838 10.568 1.722 1.00 0.62 H new ATOM 507 N ARG A 339 6.734 5.127 -1.216 1.00 0.16 N ATOM 508 CA ARG A 339 7.699 4.053 -1.062 1.00 0.17 C ATOM 509 C ARG A 339 9.075 4.620 -0.743 1.00 0.16 C ATOM 510 O ARG A 339 9.795 5.065 -1.638 1.00 0.18 O ATOM 511 CB ARG A 339 7.769 3.190 -2.325 1.00 0.22 C ATOM 512 CG ARG A 339 6.593 2.247 -2.484 1.00 0.27 C ATOM 513 CD ARG A 339 6.913 1.120 -3.452 1.00 0.31 C ATOM 514 NE ARG A 339 6.984 1.566 -4.843 1.00 0.73 N ATOM 515 CZ ARG A 339 7.736 0.977 -5.774 1.00 1.03 C ATOM 516 NH1 ARG A 339 8.538 -0.031 -5.452 1.00 1.15 N ATOM 517 NH2 ARG A 339 7.683 1.390 -7.033 1.00 1.55 N ATOM 0 H ARG A 339 6.705 5.534 -2.151 1.00 0.16 H new ATOM 0 HA ARG A 339 7.372 3.424 -0.234 1.00 0.17 H new ATOM 0 HB2 ARG A 339 7.821 3.842 -3.197 1.00 0.22 H new ATOM 0 HB3 ARG A 339 8.690 2.608 -2.306 1.00 0.22 H new ATOM 0 HG2 ARG A 339 6.325 1.830 -1.513 1.00 0.27 H new ATOM 0 HG3 ARG A 339 5.726 2.802 -2.843 1.00 0.27 H new ATOM 0 HD2 ARG A 339 7.864 0.667 -3.172 1.00 0.31 H new ATOM 0 HD3 ARG A 339 6.152 0.345 -3.363 1.00 0.31 H new ATOM 0 HE ARG A 339 6.426 2.375 -5.117 1.00 0.73 H new ATOM 0 HH11 ARG A 339 8.582 -0.360 -4.487 1.00 1.15 H new ATOM 0 HH12 ARG A 339 9.110 -0.477 -6.169 1.00 1.15 H new ATOM 0 HH21 ARG A 339 7.066 2.160 -7.292 1.00 1.55 H new ATOM 0 HH22 ARG A 339 8.259 0.938 -7.743 1.00 1.55 H new ATOM 531 N VAL A 340 9.425 4.622 0.534 1.00 0.18 N ATOM 532 CA VAL A 340 10.716 5.126 0.973 1.00 0.22 C ATOM 533 C VAL A 340 11.743 4.000 0.982 1.00 0.24 C ATOM 534 O VAL A 340 11.485 2.918 1.514 1.00 0.24 O ATOM 535 CB VAL A 340 10.624 5.750 2.384 1.00 0.25 C ATOM 536 CG1 VAL A 340 11.973 6.287 2.835 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.576 6.852 2.411 1.00 0.28 C ATOM 0 H VAL A 340 8.829 4.278 1.287 1.00 0.18 H new ATOM 0 HA VAL A 340 11.027 5.901 0.272 1.00 0.22 H new ATOM 0 HB VAL A 340 10.324 4.966 3.080 1.00 0.25 H new ATOM 0 HG11 VAL A 340 11.878 6.720 3.831 1.00 0.31 H new ATOM 0 HG12 VAL A 340 12.698 5.474 2.861 1.00 0.31 H new ATOM 0 HG13 VAL A 340 12.311 7.053 2.137 1.00 0.31 H new ATOM 0 HG21 VAL A 340 9.524 7.280 3.412 1.00 0.28 H new ATOM 0 HG22 VAL A 340 9.847 7.630 1.697 1.00 0.28 H new ATOM 0 HG23 VAL A 340 8.604 6.437 2.144 1.00 0.28 H new ATOM 547 N ASP A 341 12.894 4.240 0.372 1.00 0.30 N ATOM 548 CA ASP A 341 13.948 3.239 0.340 1.00 0.36 C ATOM 549 C ASP A 341 14.547 3.067 1.727 1.00 0.38 C ATOM 550 O ASP A 341 14.816 4.043 2.419 1.00 0.41 O ATOM 551 CB ASP A 341 15.038 3.615 -0.668 1.00 0.46 C ATOM 552 CG ASP A 341 16.065 2.511 -0.836 1.00 0.55 C ATOM 553 OD1 ASP A 341 15.747 1.486 -1.467 1.00 0.67 O ATOM 554 OD2 ASP A 341 17.202 2.672 -0.352 1.00 0.77 O ATOM 0 H ASP A 341 13.121 5.113 -0.104 1.00 0.30 H new ATOM 0 HA ASP A 341 13.509 2.293 0.022 1.00 0.36 H new ATOM 0 HB2 ASP A 341 14.580 3.833 -1.633 1.00 0.46 H new ATOM 0 HB3 ASP A 341 15.537 4.527 -0.339 1.00 0.46 H new ATOM 559 N GLU A 342 14.736 1.822 2.128 1.00 0.42 N ATOM 560 CA GLU A 342 15.233 1.506 3.461 1.00 0.47 C ATOM 561 C GLU A 342 16.667 1.997 3.641 1.00 0.60 C ATOM 562 O GLU A 342 17.019 2.549 4.682 1.00 0.72 O ATOM 563 CB GLU A 342 15.128 -0.011 3.683 1.00 0.49 C ATOM 564 CG GLU A 342 15.635 -0.513 5.029 1.00 0.60 C ATOM 565 CD GLU A 342 17.139 -0.711 5.060 1.00 0.95 C ATOM 566 OE1 GLU A 342 17.656 -1.512 4.257 1.00 1.51 O ATOM 567 OE2 GLU A 342 17.809 -0.068 5.898 1.00 1.36 O ATOM 0 H GLU A 342 14.552 1.005 1.546 1.00 0.42 H new ATOM 0 HA GLU A 342 14.627 2.019 4.207 1.00 0.47 H new ATOM 0 HB2 GLU A 342 14.084 -0.305 3.575 1.00 0.49 H new ATOM 0 HB3 GLU A 342 15.685 -0.516 2.893 1.00 0.49 H new ATOM 0 HG2 GLU A 342 15.352 0.197 5.806 1.00 0.60 H new ATOM 0 HG3 GLU A 342 15.145 -1.457 5.266 1.00 0.60 H new ATOM 574 N LYS A 343 17.476 1.823 2.612 1.00 0.69 N ATOM 575 CA LYS A 343 18.899 2.110 2.700 1.00 0.87 C ATOM 576 C LYS A 343 19.188 3.579 2.400 1.00 0.79 C ATOM 577 O LYS A 343 19.907 4.249 3.139 1.00 0.86 O ATOM 578 CB LYS A 343 19.649 1.201 1.724 1.00 1.08 C ATOM 579 CG LYS A 343 21.160 1.297 1.805 1.00 1.36 C ATOM 580 CD LYS A 343 21.812 0.273 0.891 1.00 1.63 C ATOM 581 CE LYS A 343 23.325 0.350 0.946 1.00 2.26 C ATOM 582 NZ LYS A 343 23.957 -0.674 0.076 1.00 3.06 N ATOM 0 H LYS A 343 17.171 1.482 1.700 1.00 0.69 H new ATOM 0 HA LYS A 343 19.239 1.916 3.717 1.00 0.87 H new ATOM 0 HB2 LYS A 343 19.353 0.168 1.910 1.00 1.08 H new ATOM 0 HB3 LYS A 343 19.337 1.444 0.708 1.00 1.08 H new ATOM 0 HG2 LYS A 343 21.481 2.300 1.524 1.00 1.36 H new ATOM 0 HG3 LYS A 343 21.485 1.134 2.833 1.00 1.36 H new ATOM 0 HD2 LYS A 343 21.489 -0.728 1.178 1.00 1.63 H new ATOM 0 HD3 LYS A 343 21.477 0.435 -0.134 1.00 1.63 H new ATOM 0 HE2 LYS A 343 23.651 1.343 0.636 1.00 2.26 H new ATOM 0 HE3 LYS A 343 23.660 0.211 1.974 1.00 2.26 H new ATOM 0 HZ1 LYS A 343 24.992 -0.592 0.139 1.00 3.06 H new ATOM 0 HZ2 LYS A 343 23.665 -1.622 0.388 1.00 3.06 H new ATOM 0 HZ3 LYS A 343 23.657 -0.526 -0.909 1.00 3.06 H new ATOM 596 N THR A 344 18.606 4.077 1.321 1.00 0.73 N ATOM 597 CA THR A 344 18.864 5.434 0.861 1.00 0.72 C ATOM 598 C THR A 344 17.964 6.444 1.576 1.00 0.63 C ATOM 599 O THR A 344 18.281 7.633 1.642 1.00 0.67 O ATOM 600 CB THR A 344 18.637 5.533 -0.660 1.00 0.80 C ATOM 601 OG1 THR A 344 19.084 4.323 -1.293 1.00 0.92 O ATOM 602 CG2 THR A 344 19.385 6.718 -1.250 1.00 0.92 C ATOM 0 H THR A 344 17.946 3.557 0.742 1.00 0.73 H new ATOM 0 HA THR A 344 19.902 5.670 1.093 1.00 0.72 H new ATOM 0 HB THR A 344 17.571 5.675 -0.838 1.00 0.80 H new ATOM 0 HG1 THR A 344 18.428 3.612 -1.139 1.00 0.92 H new ATOM 0 HG21 THR A 344 19.206 6.763 -2.324 1.00 0.92 H new ATOM 0 HG22 THR A 344 19.033 7.639 -0.785 1.00 0.92 H new ATOM 0 HG23 THR A 344 20.453 6.603 -1.064 1.00 0.92 H new ATOM 610 N LYS A 345 16.841 5.952 2.107 1.00 0.55 N ATOM 611 CA LYS A 345 15.856 6.784 2.812 1.00 0.52 C ATOM 612 C LYS A 345 15.220 7.819 1.887 1.00 0.53 C ATOM 613 O LYS A 345 14.649 8.807 2.345 1.00 0.61 O ATOM 614 CB LYS A 345 16.482 7.466 4.035 1.00 0.61 C ATOM 615 CG LYS A 345 16.838 6.499 5.154 1.00 0.63 C ATOM 616 CD LYS A 345 15.627 5.692 5.595 1.00 0.62 C ATOM 617 CE LYS A 345 15.949 4.789 6.777 1.00 0.71 C ATOM 618 NZ LYS A 345 16.236 5.567 8.010 1.00 1.50 N ATOM 0 H LYS A 345 16.587 4.965 2.061 1.00 0.55 H new ATOM 0 HA LYS A 345 15.064 6.119 3.157 1.00 0.52 H new ATOM 0 HB2 LYS A 345 17.382 7.996 3.724 1.00 0.61 H new ATOM 0 HB3 LYS A 345 15.788 8.214 4.419 1.00 0.61 H new ATOM 0 HG2 LYS A 345 17.624 5.824 4.817 1.00 0.63 H new ATOM 0 HG3 LYS A 345 17.237 7.054 6.003 1.00 0.63 H new ATOM 0 HD2 LYS A 345 14.817 6.370 5.866 1.00 0.62 H new ATOM 0 HD3 LYS A 345 15.271 5.087 4.762 1.00 0.62 H new ATOM 0 HE2 LYS A 345 15.110 4.117 6.959 1.00 0.71 H new ATOM 0 HE3 LYS A 345 16.809 4.166 6.533 1.00 0.71 H new ATOM 0 HZ1 LYS A 345 16.249 4.927 8.829 1.00 1.50 H new ATOM 0 HZ2 LYS A 345 17.162 6.032 7.919 1.00 1.50 H new ATOM 0 HZ3 LYS A 345 15.498 6.287 8.146 1.00 1.50 H new ATOM 632 N GLU A 346 15.288 7.567 0.587 1.00 0.53 N ATOM 633 CA GLU A 346 14.687 8.450 -0.400 1.00 0.58 C ATOM 634 C GLU A 346 13.328 7.920 -0.842 1.00 0.44 C ATOM 635 O GLU A 346 13.091 6.710 -0.828 1.00 0.42 O ATOM 636 CB GLU A 346 15.607 8.597 -1.612 1.00 0.77 C ATOM 637 CG GLU A 346 16.792 9.516 -1.371 1.00 0.95 C ATOM 638 CD GLU A 346 16.363 10.941 -1.099 1.00 1.61 C ATOM 639 OE1 GLU A 346 15.766 11.573 -1.993 1.00 1.81 O ATOM 640 OE2 GLU A 346 16.639 11.447 0.007 1.00 2.46 O ATOM 0 H GLU A 346 15.757 6.752 0.191 1.00 0.53 H new ATOM 0 HA GLU A 346 14.546 9.428 0.060 1.00 0.58 H new ATOM 0 HB2 GLU A 346 15.975 7.612 -1.899 1.00 0.77 H new ATOM 0 HB3 GLU A 346 15.028 8.979 -2.453 1.00 0.77 H new ATOM 0 HG2 GLU A 346 17.371 9.145 -0.526 1.00 0.95 H new ATOM 0 HG3 GLU A 346 17.448 9.496 -2.241 1.00 0.95 H new ATOM 647 N VAL A 347 12.441 8.826 -1.227 1.00 0.39 N ATOM 648 CA VAL A 347 11.120 8.446 -1.709 1.00 0.33 C ATOM 649 C VAL A 347 11.191 8.048 -3.180 1.00 0.31 C ATOM 650 O VAL A 347 11.401 8.891 -4.053 1.00 0.42 O ATOM 651 CB VAL A 347 10.097 9.591 -1.538 1.00 0.41 C ATOM 652 CG1 VAL A 347 8.713 9.151 -1.991 1.00 0.54 C ATOM 653 CG2 VAL A 347 10.062 10.070 -0.095 1.00 0.58 C ATOM 0 H VAL A 347 12.612 9.831 -1.215 1.00 0.39 H new ATOM 0 HA VAL A 347 10.787 7.598 -1.111 1.00 0.33 H new ATOM 0 HB VAL A 347 10.412 10.424 -2.167 1.00 0.41 H new ATOM 0 HG11 VAL A 347 8.009 9.973 -1.861 1.00 0.54 H new ATOM 0 HG12 VAL A 347 8.748 8.866 -3.042 1.00 0.54 H new ATOM 0 HG13 VAL A 347 8.389 8.298 -1.394 1.00 0.54 H new ATOM 0 HG21 VAL A 347 9.335 10.876 0.003 1.00 0.58 H new ATOM 0 HG22 VAL A 347 9.777 9.243 0.556 1.00 0.58 H new ATOM 0 HG23 VAL A 347 11.049 10.434 0.192 1.00 0.58 H new ATOM 663 N ILE A 348 11.028 6.762 -3.445 1.00 0.25 N ATOM 664 CA ILE A 348 11.120 6.241 -4.801 1.00 0.26 C ATOM 665 C ILE A 348 9.878 6.603 -5.607 1.00 0.26 C ATOM 666 O ILE A 348 9.971 7.207 -6.676 1.00 0.35 O ATOM 667 CB ILE A 348 11.300 4.709 -4.801 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.544 4.325 -3.996 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.401 4.180 -6.227 1.00 0.32 C ATOM 670 CD1 ILE A 348 12.724 2.833 -3.834 1.00 0.31 C ATOM 0 H ILE A 348 10.830 6.056 -2.736 1.00 0.25 H new ATOM 0 HA ILE A 348 11.995 6.698 -5.264 1.00 0.26 H new ATOM 0 HB ILE A 348 10.427 4.256 -4.332 1.00 0.27 H new ATOM 0 HG12 ILE A 348 13.426 4.738 -4.487 1.00 0.29 H new ATOM 0 HG13 ILE A 348 12.484 4.784 -3.009 1.00 0.29 H new ATOM 0 HG21 ILE A 348 11.528 3.098 -6.205 1.00 0.32 H new ATOM 0 HG22 ILE A 348 10.490 4.428 -6.772 1.00 0.32 H new ATOM 0 HG23 ILE A 348 12.257 4.636 -6.724 1.00 0.32 H new ATOM 0 HD11 ILE A 348 13.625 2.636 -3.253 1.00 0.31 H new ATOM 0 HD12 ILE A 348 11.860 2.416 -3.316 1.00 0.31 H new ATOM 0 HD13 ILE A 348 12.816 2.369 -4.816 1.00 0.31 H new ATOM 682 N GLN A 349 8.717 6.245 -5.085 1.00 0.23 N ATOM 683 CA GLN A 349 7.463 6.487 -5.781 1.00 0.23 C ATOM 684 C GLN A 349 6.368 6.820 -4.779 1.00 0.22 C ATOM 685 O GLN A 349 6.352 6.284 -3.670 1.00 0.29 O ATOM 686 CB GLN A 349 7.085 5.256 -6.609 1.00 0.28 C ATOM 687 CG GLN A 349 5.879 5.463 -7.510 1.00 0.40 C ATOM 688 CD GLN A 349 5.597 4.256 -8.379 1.00 0.86 C ATOM 689 OE1 GLN A 349 5.880 3.124 -7.997 1.00 1.65 O ATOM 690 NE2 GLN A 349 5.035 4.490 -9.551 1.00 0.81 N ATOM 0 H GLN A 349 8.616 5.785 -4.180 1.00 0.23 H new ATOM 0 HA GLN A 349 7.581 7.336 -6.455 1.00 0.23 H new ATOM 0 HB2 GLN A 349 7.939 4.968 -7.222 1.00 0.28 H new ATOM 0 HB3 GLN A 349 6.882 4.425 -5.934 1.00 0.28 H new ATOM 0 HG2 GLN A 349 5.004 5.679 -6.898 1.00 0.40 H new ATOM 0 HG3 GLN A 349 6.047 6.333 -8.144 1.00 0.40 H new ATOM 0 HE21 GLN A 349 4.816 5.446 -9.830 1.00 0.81 H new ATOM 0 HE22 GLN A 349 4.820 3.714 -10.177 1.00 0.81 H new ATOM 699 N GLU A 350 5.463 7.702 -5.170 1.00 0.23 N ATOM 700 CA GLU A 350 4.413 8.175 -4.283 1.00 0.25 C ATOM 701 C GLU A 350 3.057 8.115 -4.981 1.00 0.26 C ATOM 702 O GLU A 350 2.911 8.584 -6.112 1.00 0.36 O ATOM 703 CB GLU A 350 4.729 9.606 -3.844 1.00 0.30 C ATOM 704 CG GLU A 350 3.681 10.230 -2.943 1.00 0.36 C ATOM 705 CD GLU A 350 4.058 11.631 -2.519 1.00 0.45 C ATOM 706 OE1 GLU A 350 4.021 12.545 -3.367 1.00 0.60 O ATOM 707 OE2 GLU A 350 4.398 11.826 -1.335 1.00 0.65 O ATOM 0 H GLU A 350 5.435 8.108 -6.105 1.00 0.23 H new ATOM 0 HA GLU A 350 4.367 7.532 -3.404 1.00 0.25 H new ATOM 0 HB2 GLU A 350 5.687 9.611 -3.324 1.00 0.30 H new ATOM 0 HB3 GLU A 350 4.845 10.228 -4.731 1.00 0.30 H new ATOM 0 HG2 GLU A 350 2.724 10.254 -3.464 1.00 0.36 H new ATOM 0 HG3 GLU A 350 3.547 9.608 -2.058 1.00 0.36 H new ATOM 714 N TRP A 351 2.077 7.524 -4.313 1.00 0.23 N ATOM 715 CA TRP A 351 0.739 7.391 -4.873 1.00 0.26 C ATOM 716 C TRP A 351 -0.272 8.170 -4.047 1.00 0.25 C ATOM 717 O TRP A 351 -0.238 8.135 -2.820 1.00 0.52 O ATOM 718 CB TRP A 351 0.317 5.923 -4.911 1.00 0.30 C ATOM 719 CG TRP A 351 1.257 5.038 -5.665 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.569 5.111 -6.988 1.00 0.38 C ATOM 721 CD2 TRP A 351 1.994 3.932 -5.137 1.00 0.30 C ATOM 722 NE1 TRP A 351 2.458 4.118 -7.319 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.734 3.380 -6.198 1.00 0.34 C ATOM 724 CE3 TRP A 351 2.102 3.356 -3.868 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.567 2.278 -6.030 1.00 0.38 C ATOM 726 CZ3 TRP A 351 2.929 2.263 -3.702 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.651 1.734 -4.779 1.00 0.39 C ATOM 0 H TRP A 351 2.184 7.128 -3.379 1.00 0.23 H new ATOM 0 HA TRP A 351 0.764 7.792 -5.886 1.00 0.26 H new ATOM 0 HB2 TRP A 351 0.229 5.555 -3.889 1.00 0.30 H new ATOM 0 HB3 TRP A 351 -0.673 5.852 -5.362 1.00 0.30 H new ATOM 0 HD1 TRP A 351 1.175 5.843 -7.677 1.00 0.38 H new ATOM 0 HE1 TRP A 351 2.849 3.956 -8.247 1.00 0.41 H new ATOM 0 HE3 TRP A 351 1.549 3.759 -3.033 1.00 0.35 H new ATOM 0 HZ2 TRP A 351 4.126 1.868 -6.858 1.00 0.38 H new ATOM 0 HZ3 TRP A 351 3.021 1.809 -2.726 1.00 0.40 H new ATOM 0 HH2 TRP A 351 4.288 0.877 -4.617 1.00 0.39 H new ATOM 738 N SER A 352 -1.166 8.873 -4.718 1.00 0.31 N ATOM 739 CA SER A 352 -2.252 9.565 -4.046 1.00 0.30 C ATOM 740 C SER A 352 -3.309 8.556 -3.607 1.00 0.26 C ATOM 741 O SER A 352 -3.548 7.565 -4.297 1.00 0.28 O ATOM 742 CB SER A 352 -2.872 10.610 -4.981 1.00 0.35 C ATOM 743 OG SER A 352 -3.948 11.292 -4.356 1.00 1.27 O ATOM 0 H SER A 352 -1.162 8.980 -5.732 1.00 0.31 H new ATOM 0 HA SER A 352 -1.860 10.076 -3.167 1.00 0.30 H new ATOM 0 HB2 SER A 352 -2.110 11.329 -5.282 1.00 0.35 H new ATOM 0 HB3 SER A 352 -3.227 10.123 -5.889 1.00 0.35 H new ATOM 0 HG SER A 352 -4.757 11.196 -4.901 1.00 1.27 H new ATOM 749 N LEU A 353 -3.938 8.808 -2.461 1.00 0.25 N ATOM 750 CA LEU A 353 -4.998 7.934 -1.960 1.00 0.24 C ATOM 751 C LEU A 353 -6.165 7.896 -2.942 1.00 0.23 C ATOM 752 O LEU A 353 -6.893 6.908 -3.029 1.00 0.23 O ATOM 753 CB LEU A 353 -5.489 8.414 -0.589 1.00 0.25 C ATOM 754 CG LEU A 353 -4.436 8.423 0.522 1.00 0.26 C ATOM 755 CD1 LEU A 353 -5.030 8.964 1.812 1.00 0.31 C ATOM 756 CD2 LEU A 353 -3.878 7.027 0.746 1.00 0.26 C ATOM 0 H LEU A 353 -3.733 9.608 -1.863 1.00 0.25 H new ATOM 0 HA LEU A 353 -4.589 6.929 -1.855 1.00 0.24 H new ATOM 0 HB2 LEU A 353 -5.886 9.423 -0.698 1.00 0.25 H new ATOM 0 HB3 LEU A 353 -6.317 7.778 -0.276 1.00 0.25 H new ATOM 0 HG LEU A 353 -3.620 9.075 0.212 1.00 0.26 H new ATOM 0 HD11 LEU A 353 -4.268 8.964 2.592 1.00 0.31 H new ATOM 0 HD12 LEU A 353 -5.384 9.982 1.651 1.00 0.31 H new ATOM 0 HD13 LEU A 353 -5.865 8.335 2.120 1.00 0.31 H new ATOM 0 HD21 LEU A 353 -3.131 7.057 1.540 1.00 0.26 H new ATOM 0 HD22 LEU A 353 -4.686 6.354 1.033 1.00 0.26 H new ATOM 0 HD23 LEU A 353 -3.416 6.668 -0.174 1.00 0.26 H new ATOM 768 N THR A 354 -6.312 8.976 -3.696 1.00 0.26 N ATOM 769 CA THR A 354 -7.379 9.111 -4.673 1.00 0.28 C ATOM 770 C THR A 354 -7.122 8.246 -5.914 1.00 0.28 C ATOM 771 O THR A 354 -7.979 8.123 -6.792 1.00 0.35 O ATOM 772 CB THR A 354 -7.525 10.585 -5.103 1.00 0.36 C ATOM 773 OG1 THR A 354 -6.311 11.036 -5.723 1.00 0.44 O ATOM 774 CG2 THR A 354 -7.827 11.476 -3.906 1.00 0.42 C ATOM 0 H THR A 354 -5.692 9.785 -3.646 1.00 0.26 H new ATOM 0 HA THR A 354 -8.300 8.770 -4.199 1.00 0.28 H new ATOM 0 HB THR A 354 -8.353 10.648 -5.809 1.00 0.36 H new ATOM 0 HG1 THR A 354 -6.411 11.972 -5.995 1.00 0.44 H new ATOM 0 HG21 THR A 354 -7.925 12.510 -4.237 1.00 0.42 H new ATOM 0 HG22 THR A 354 -8.758 11.155 -3.439 1.00 0.42 H new ATOM 0 HG23 THR A 354 -7.014 11.402 -3.183 1.00 0.42 H new ATOM 782 N ASN A 355 -5.935 7.652 -5.983 1.00 0.26 N ATOM 783 CA ASN A 355 -5.564 6.813 -7.116 1.00 0.30 C ATOM 784 C ASN A 355 -5.537 5.346 -6.709 1.00 0.28 C ATOM 785 O ASN A 355 -5.097 4.483 -7.469 1.00 0.33 O ATOM 786 CB ASN A 355 -4.201 7.235 -7.680 1.00 0.37 C ATOM 787 CG ASN A 355 -4.251 8.589 -8.365 1.00 0.49 C ATOM 788 OD1 ASN A 355 -5.282 8.985 -8.905 1.00 0.83 O ATOM 789 ND2 ASN A 355 -3.138 9.307 -8.356 1.00 0.66 N ATOM 0 H ASN A 355 -5.213 7.736 -5.267 1.00 0.26 H new ATOM 0 HA ASN A 355 -6.315 6.943 -7.896 1.00 0.30 H new ATOM 0 HB2 ASN A 355 -3.471 7.267 -6.872 1.00 0.37 H new ATOM 0 HB3 ASN A 355 -3.857 6.484 -8.391 1.00 0.37 H new ATOM 0 HD21 ASN A 355 -3.117 10.221 -8.807 1.00 0.66 H new ATOM 0 HD22 ASN A 355 -2.302 8.945 -7.898 1.00 0.66 H new ATOM 796 N ILE A 356 -6.024 5.071 -5.507 1.00 0.26 N ATOM 797 CA ILE A 356 -6.103 3.710 -5.001 1.00 0.28 C ATOM 798 C ILE A 356 -7.466 3.113 -5.338 1.00 0.28 C ATOM 799 O ILE A 356 -8.494 3.761 -5.141 1.00 0.38 O ATOM 800 CB ILE A 356 -5.880 3.672 -3.470 1.00 0.31 C ATOM 801 CG1 ILE A 356 -4.480 4.194 -3.129 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.078 2.266 -2.919 1.00 0.36 C ATOM 803 CD1 ILE A 356 -4.175 4.205 -1.646 1.00 0.38 C ATOM 0 H ILE A 356 -6.372 5.779 -4.861 1.00 0.26 H new ATOM 0 HA ILE A 356 -5.318 3.122 -5.476 1.00 0.28 H new ATOM 0 HB ILE A 356 -6.621 4.319 -3.001 1.00 0.31 H new ATOM 0 HG12 ILE A 356 -3.739 3.578 -3.638 1.00 0.33 H new ATOM 0 HG13 ILE A 356 -4.375 5.206 -3.519 1.00 0.33 H new ATOM 0 HG21 ILE A 356 -5.915 2.271 -1.841 1.00 0.36 H new ATOM 0 HG22 ILE A 356 -7.094 1.932 -3.130 1.00 0.36 H new ATOM 0 HG23 ILE A 356 -5.367 1.587 -3.390 1.00 0.36 H new ATOM 0 HD11 ILE A 356 -3.167 4.587 -1.485 1.00 0.38 H new ATOM 0 HD12 ILE A 356 -4.892 4.845 -1.132 1.00 0.38 H new ATOM 0 HD13 ILE A 356 -4.246 3.191 -1.252 1.00 0.38 H new ATOM 815 N LYS A 357 -7.474 1.897 -5.868 1.00 0.26 N ATOM 816 CA LYS A 357 -8.723 1.235 -6.219 1.00 0.30 C ATOM 817 C LYS A 357 -9.121 0.246 -5.128 1.00 0.31 C ATOM 818 O LYS A 357 -10.084 0.470 -4.390 1.00 0.45 O ATOM 819 CB LYS A 357 -8.588 0.515 -7.567 1.00 0.35 C ATOM 820 CG LYS A 357 -9.886 -0.105 -8.067 1.00 0.46 C ATOM 821 CD LYS A 357 -9.672 -0.877 -9.361 1.00 0.60 C ATOM 822 CE LYS A 357 -10.961 -1.526 -9.848 1.00 0.79 C ATOM 823 NZ LYS A 357 -11.978 -0.523 -10.262 1.00 1.75 N ATOM 0 H LYS A 357 -6.634 1.352 -6.063 1.00 0.26 H new ATOM 0 HA LYS A 357 -9.503 1.991 -6.307 1.00 0.30 H new ATOM 0 HB2 LYS A 357 -8.224 1.223 -8.312 1.00 0.35 H new ATOM 0 HB3 LYS A 357 -7.834 -0.267 -7.476 1.00 0.35 H new ATOM 0 HG2 LYS A 357 -10.288 -0.773 -7.306 1.00 0.46 H new ATOM 0 HG3 LYS A 357 -10.627 0.678 -8.227 1.00 0.46 H new ATOM 0 HD2 LYS A 357 -9.291 -0.203 -10.128 1.00 0.60 H new ATOM 0 HD3 LYS A 357 -8.914 -1.645 -9.206 1.00 0.60 H new ATOM 0 HE2 LYS A 357 -10.739 -2.183 -10.689 1.00 0.79 H new ATOM 0 HE3 LYS A 357 -11.372 -2.151 -9.055 1.00 0.79 H new ATOM 0 HZ1 LYS A 357 -12.789 -1.009 -10.695 1.00 1.75 H new ATOM 0 HZ2 LYS A 357 -12.299 0.010 -9.429 1.00 1.75 H new ATOM 0 HZ3 LYS A 357 -11.558 0.132 -10.952 1.00 1.75 H new ATOM 837 N ARG A 358 -8.360 -0.834 -5.020 1.00 0.26 N ATOM 838 CA ARG A 358 -8.620 -1.869 -4.030 1.00 0.29 C ATOM 839 C ARG A 358 -7.319 -2.320 -3.389 1.00 0.28 C ATOM 840 O ARG A 358 -6.252 -2.195 -3.988 1.00 0.35 O ATOM 841 CB ARG A 358 -9.326 -3.072 -4.674 1.00 0.34 C ATOM 842 CG ARG A 358 -8.603 -3.634 -5.883 1.00 0.37 C ATOM 843 CD ARG A 358 -9.427 -4.706 -6.575 1.00 0.54 C ATOM 844 NE ARG A 358 -10.713 -4.186 -7.045 1.00 0.83 N ATOM 845 CZ ARG A 358 -11.438 -4.750 -8.007 1.00 1.19 C ATOM 846 NH1 ARG A 358 -11.029 -5.869 -8.589 1.00 1.46 N ATOM 847 NH2 ARG A 358 -12.580 -4.191 -8.384 1.00 1.75 N ATOM 0 H ARG A 358 -7.550 -1.017 -5.612 1.00 0.26 H new ATOM 0 HA ARG A 358 -9.272 -1.451 -3.263 1.00 0.29 H new ATOM 0 HB2 ARG A 358 -9.433 -3.860 -3.928 1.00 0.34 H new ATOM 0 HB3 ARG A 358 -10.332 -2.775 -4.970 1.00 0.34 H new ATOM 0 HG2 ARG A 358 -8.387 -2.829 -6.586 1.00 0.37 H new ATOM 0 HG3 ARG A 358 -7.645 -4.053 -5.574 1.00 0.37 H new ATOM 0 HD2 ARG A 358 -8.866 -5.106 -7.420 1.00 0.54 H new ATOM 0 HD3 ARG A 358 -9.599 -5.533 -5.886 1.00 0.54 H new ATOM 0 HE ARG A 358 -11.075 -3.339 -6.607 1.00 0.83 H new ATOM 0 HH11 ARG A 358 -10.153 -6.303 -8.300 1.00 1.46 H new ATOM 0 HH12 ARG A 358 -11.591 -6.295 -9.326 1.00 1.46 H new ATOM 0 HH21 ARG A 358 -12.899 -3.332 -7.937 1.00 1.75 H new ATOM 0 HH22 ARG A 358 -13.139 -4.620 -9.121 1.00 1.75 H new ATOM 861 N TRP A 359 -7.402 -2.821 -2.172 1.00 0.25 N ATOM 862 CA TRP A 359 -6.240 -3.392 -1.520 1.00 0.27 C ATOM 863 C TRP A 359 -6.588 -4.727 -0.881 1.00 0.28 C ATOM 864 O TRP A 359 -7.709 -4.936 -0.412 1.00 0.36 O ATOM 865 CB TRP A 359 -5.635 -2.424 -0.492 1.00 0.28 C ATOM 866 CG TRP A 359 -6.588 -1.912 0.550 1.00 0.27 C ATOM 867 CD1 TRP A 359 -6.900 -2.504 1.740 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.328 -0.687 0.507 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.791 -1.722 2.436 1.00 0.35 N ATOM 870 CE2 TRP A 359 -8.069 -0.603 1.699 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.436 0.346 -0.425 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -8.905 0.473 1.982 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.267 1.413 -0.144 1.00 0.40 C ATOM 874 CH2 TRP A 359 -8.991 1.469 1.052 1.00 0.39 C ATOM 0 H TRP A 359 -8.257 -2.844 -1.617 1.00 0.25 H new ATOM 0 HA TRP A 359 -5.481 -3.566 -2.283 1.00 0.27 H new ATOM 0 HB2 TRP A 359 -4.808 -2.925 0.011 1.00 0.28 H new ATOM 0 HB3 TRP A 359 -5.214 -1.572 -1.025 1.00 0.28 H new ATOM 0 HD1 TRP A 359 -6.505 -3.448 2.084 1.00 0.36 H new ATOM 0 HE1 TRP A 359 -8.181 -1.940 3.353 1.00 0.35 H new ATOM 0 HE3 TRP A 359 -6.880 0.312 -1.350 1.00 0.32 H new ATOM 0 HZ2 TRP A 359 -9.466 0.519 2.904 1.00 0.33 H new ATOM 0 HZ3 TRP A 359 -8.359 2.217 -0.859 1.00 0.40 H new ATOM 0 HH2 TRP A 359 -9.631 2.318 1.244 1.00 0.39 H new ATOM 885 N ALA A 360 -5.627 -5.636 -0.901 1.00 0.25 N ATOM 886 CA ALA A 360 -5.818 -6.965 -0.356 1.00 0.27 C ATOM 887 C ALA A 360 -4.984 -7.154 0.897 1.00 0.25 C ATOM 888 O ALA A 360 -3.754 -7.069 0.860 1.00 0.31 O ATOM 889 CB ALA A 360 -5.478 -8.022 -1.396 1.00 0.31 C ATOM 0 H ALA A 360 -4.700 -5.473 -1.293 1.00 0.25 H new ATOM 0 HA ALA A 360 -6.868 -7.078 -0.085 1.00 0.27 H new ATOM 0 HB1 ALA A 360 -5.627 -9.014 -0.969 1.00 0.31 H new ATOM 0 HB2 ALA A 360 -6.125 -7.900 -2.264 1.00 0.31 H new ATOM 0 HB3 ALA A 360 -4.437 -7.911 -1.701 1.00 0.31 H new ATOM 895 N ALA A 361 -5.665 -7.397 2.002 1.00 0.26 N ATOM 896 CA ALA A 361 -5.007 -7.602 3.277 1.00 0.27 C ATOM 897 C ALA A 361 -4.808 -9.086 3.539 1.00 0.25 C ATOM 898 O ALA A 361 -5.769 -9.856 3.569 1.00 0.38 O ATOM 899 CB ALA A 361 -5.816 -6.966 4.397 1.00 0.35 C ATOM 0 H ALA A 361 -6.682 -7.457 2.040 1.00 0.26 H new ATOM 0 HA ALA A 361 -4.028 -7.125 3.244 1.00 0.27 H new ATOM 0 HB1 ALA A 361 -5.310 -7.128 5.349 1.00 0.35 H new ATOM 0 HB2 ALA A 361 -5.912 -5.896 4.214 1.00 0.35 H new ATOM 0 HB3 ALA A 361 -6.807 -7.418 4.432 1.00 0.35 H new ATOM 905 N SER A 362 -3.558 -9.488 3.685 1.00 0.32 N ATOM 906 CA SER A 362 -3.231 -10.866 3.998 1.00 0.40 C ATOM 907 C SER A 362 -2.061 -10.908 4.975 1.00 0.42 C ATOM 908 O SER A 362 -1.179 -10.049 4.927 1.00 0.44 O ATOM 909 CB SER A 362 -2.907 -11.632 2.714 1.00 0.47 C ATOM 910 OG SER A 362 -3.985 -11.548 1.795 1.00 1.00 O ATOM 0 H SER A 362 -2.749 -8.875 3.591 1.00 0.32 H new ATOM 0 HA SER A 362 -4.089 -11.346 4.470 1.00 0.40 H new ATOM 0 HB2 SER A 362 -2.003 -11.226 2.260 1.00 0.47 H new ATOM 0 HB3 SER A 362 -2.704 -12.677 2.949 1.00 0.47 H new ATOM 0 HG SER A 362 -3.759 -12.042 0.980 1.00 1.00 H new ATOM 916 N PRO A 363 -2.045 -11.900 5.882 1.00 0.46 N ATOM 917 CA PRO A 363 -1.030 -11.997 6.942 1.00 0.48 C ATOM 918 C PRO A 363 0.377 -12.291 6.421 1.00 0.45 C ATOM 919 O PRO A 363 1.356 -12.145 7.151 1.00 0.66 O ATOM 920 CB PRO A 363 -1.529 -13.158 7.809 1.00 0.58 C ATOM 921 CG PRO A 363 -2.392 -13.969 6.907 1.00 0.60 C ATOM 922 CD PRO A 363 -3.029 -12.996 5.959 1.00 0.53 C ATOM 0 HA PRO A 363 -0.928 -11.050 7.473 1.00 0.48 H new ATOM 0 HB2 PRO A 363 -0.698 -13.748 8.195 1.00 0.58 H new ATOM 0 HB3 PRO A 363 -2.090 -12.795 8.670 1.00 0.58 H new ATOM 0 HG2 PRO A 363 -1.804 -14.711 6.367 1.00 0.60 H new ATOM 0 HG3 PRO A 363 -3.148 -14.512 7.474 1.00 0.60 H new ATOM 0 HD2 PRO A 363 -3.208 -13.445 4.982 1.00 0.53 H new ATOM 0 HD3 PRO A 363 -3.992 -12.646 6.330 1.00 0.53 H new ATOM 930 N LYS A 364 0.482 -12.713 5.167 1.00 0.44 N ATOM 931 CA LYS A 364 1.782 -13.016 4.587 1.00 0.44 C ATOM 932 C LYS A 364 2.246 -11.896 3.661 1.00 0.37 C ATOM 933 O LYS A 364 3.439 -11.588 3.591 1.00 0.40 O ATOM 934 CB LYS A 364 1.734 -14.335 3.812 1.00 0.56 C ATOM 935 CG LYS A 364 3.076 -14.742 3.221 1.00 0.72 C ATOM 936 CD LYS A 364 2.955 -15.962 2.324 1.00 0.98 C ATOM 937 CE LYS A 364 4.308 -16.390 1.777 1.00 1.26 C ATOM 938 NZ LYS A 364 5.209 -16.896 2.846 1.00 2.08 N ATOM 0 H LYS A 364 -0.309 -12.852 4.538 1.00 0.44 H new ATOM 0 HA LYS A 364 2.494 -13.108 5.407 1.00 0.44 H new ATOM 0 HB2 LYS A 364 1.384 -15.125 4.477 1.00 0.56 H new ATOM 0 HB3 LYS A 364 1.003 -14.248 3.008 1.00 0.56 H new ATOM 0 HG2 LYS A 364 3.488 -13.910 2.649 1.00 0.72 H new ATOM 0 HG3 LYS A 364 3.779 -14.953 4.027 1.00 0.72 H new ATOM 0 HD2 LYS A 364 2.512 -16.785 2.885 1.00 0.98 H new ATOM 0 HD3 LYS A 364 2.281 -15.741 1.497 1.00 0.98 H new ATOM 0 HE2 LYS A 364 4.166 -17.167 1.026 1.00 1.26 H new ATOM 0 HE3 LYS A 364 4.780 -15.545 1.276 1.00 1.26 H new ATOM 0 HZ1 LYS A 364 6.033 -17.362 2.414 1.00 2.08 H new ATOM 0 HZ2 LYS A 364 5.530 -16.101 3.435 1.00 2.08 H new ATOM 0 HZ3 LYS A 364 4.696 -17.580 3.438 1.00 2.08 H new ATOM 952 N SER A 365 1.309 -11.288 2.947 1.00 0.35 N ATOM 953 CA SER A 365 1.641 -10.238 1.996 1.00 0.34 C ATOM 954 C SER A 365 0.465 -9.286 1.805 1.00 0.32 C ATOM 955 O SER A 365 -0.693 -9.701 1.833 1.00 0.52 O ATOM 956 CB SER A 365 2.040 -10.849 0.647 1.00 0.40 C ATOM 957 OG SER A 365 3.092 -11.792 0.803 1.00 1.32 O ATOM 0 H SER A 365 0.314 -11.504 3.009 1.00 0.35 H new ATOM 0 HA SER A 365 2.483 -9.673 2.396 1.00 0.34 H new ATOM 0 HB2 SER A 365 1.176 -11.335 0.195 1.00 0.40 H new ATOM 0 HB3 SER A 365 2.354 -10.059 -0.035 1.00 0.40 H new ATOM 0 HG SER A 365 3.327 -12.168 -0.071 1.00 1.32 H new ATOM 963 N PHE A 366 0.772 -8.016 1.611 1.00 0.19 N ATOM 964 CA PHE A 366 -0.240 -7.007 1.351 1.00 0.16 C ATOM 965 C PHE A 366 -0.160 -6.591 -0.114 1.00 0.16 C ATOM 966 O PHE A 366 0.933 -6.495 -0.675 1.00 0.28 O ATOM 967 CB PHE A 366 -0.026 -5.797 2.268 1.00 0.19 C ATOM 968 CG PHE A 366 -1.096 -4.747 2.158 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.304 -4.902 2.814 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.888 -3.606 1.402 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.289 -3.939 2.719 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.869 -2.639 1.303 1.00 0.29 C ATOM 973 CZ PHE A 366 -3.070 -2.806 1.961 1.00 0.30 C ATOM 0 H PHE A 366 1.726 -7.656 1.629 1.00 0.19 H new ATOM 0 HA PHE A 366 -1.229 -7.416 1.555 1.00 0.16 H new ATOM 0 HB2 PHE A 366 0.025 -6.142 3.301 1.00 0.19 H new ATOM 0 HB3 PHE A 366 0.938 -5.344 2.035 1.00 0.19 H new ATOM 0 HD1 PHE A 366 -2.479 -5.787 3.408 1.00 0.23 H new ATOM 0 HD2 PHE A 366 0.050 -3.471 0.885 1.00 0.25 H new ATOM 0 HE1 PHE A 366 -4.228 -4.072 3.236 1.00 0.28 H new ATOM 0 HE2 PHE A 366 -1.696 -1.753 0.711 1.00 0.29 H new ATOM 0 HZ PHE A 366 -3.838 -2.051 1.883 1.00 0.30 H new ATOM 983 N THR A 367 -1.307 -6.372 -0.740 1.00 0.17 N ATOM 984 CA THR A 367 -1.336 -6.040 -2.156 1.00 0.19 C ATOM 985 C THR A 367 -2.177 -4.794 -2.424 1.00 0.19 C ATOM 986 O THR A 367 -3.355 -4.742 -2.077 1.00 0.27 O ATOM 987 CB THR A 367 -1.890 -7.217 -2.984 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.195 -8.419 -2.629 1.00 0.34 O ATOM 989 CG2 THR A 367 -1.733 -6.961 -4.478 1.00 0.32 C ATOM 0 H THR A 367 -2.223 -6.418 -0.294 1.00 0.17 H new ATOM 0 HA THR A 367 -0.308 -5.837 -2.457 1.00 0.19 H new ATOM 0 HB THR A 367 -2.953 -7.321 -2.764 1.00 0.26 H new ATOM 0 HG1 THR A 367 -1.548 -9.168 -3.154 1.00 0.34 H new ATOM 0 HG21 THR A 367 -2.132 -7.808 -5.036 1.00 0.32 H new ATOM 0 HG22 THR A 367 -2.277 -6.057 -4.751 1.00 0.32 H new ATOM 0 HG23 THR A 367 -0.677 -6.835 -4.717 1.00 0.32 H new ATOM 997 N LEU A 368 -1.555 -3.793 -3.030 1.00 0.20 N ATOM 998 CA LEU A 368 -2.259 -2.588 -3.447 1.00 0.22 C ATOM 999 C LEU A 368 -2.570 -2.647 -4.935 1.00 0.23 C ATOM 1000 O LEU A 368 -1.735 -3.076 -5.734 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.423 -1.340 -3.149 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.421 -0.880 -1.691 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.422 0.248 -1.490 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -2.812 -0.428 -1.276 1.00 0.25 C ATOM 0 H LEU A 368 -0.558 -3.792 -3.245 1.00 0.20 H new ATOM 0 HA LEU A 368 -3.191 -2.530 -2.885 1.00 0.22 H new ATOM 0 HB2 LEU A 368 -0.394 -1.533 -3.452 1.00 0.24 H new ATOM 0 HB3 LEU A 368 -1.790 -0.522 -3.769 1.00 0.24 H new ATOM 0 HG LEU A 368 -1.126 -1.722 -1.065 1.00 0.25 H new ATOM 0 HD11 LEU A 368 -0.434 0.563 -0.447 1.00 0.29 H new ATOM 0 HD12 LEU A 368 0.577 -0.100 -1.753 1.00 0.29 H new ATOM 0 HD13 LEU A 368 -0.692 1.091 -2.126 1.00 0.29 H new ATOM 0 HD21 LEU A 368 -2.794 -0.104 -0.236 1.00 0.25 H new ATOM 0 HD22 LEU A 368 -3.129 0.401 -1.909 1.00 0.25 H new ATOM 0 HD23 LEU A 368 -3.512 -1.257 -1.386 1.00 0.25 H new ATOM 1016 N ASP A 369 -3.775 -2.239 -5.296 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.169 -2.156 -6.694 1.00 0.24 C ATOM 1018 C ASP A 369 -4.592 -0.740 -7.042 1.00 0.21 C ATOM 1019 O ASP A 369 -5.345 -0.099 -6.301 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.306 -3.128 -7.008 1.00 0.31 C ATOM 1021 CG ASP A 369 -5.933 -2.852 -8.363 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -5.187 -2.725 -9.357 1.00 1.52 O ATOM 1023 OD2 ASP A 369 -7.177 -2.761 -8.441 1.00 1.47 O ATOM 0 H ASP A 369 -4.501 -1.959 -4.637 1.00 0.21 H new ATOM 0 HA ASP A 369 -3.305 -2.431 -7.299 1.00 0.24 H new ATOM 0 HB2 ASP A 369 -4.926 -4.149 -6.986 1.00 0.31 H new ATOM 0 HB3 ASP A 369 -6.070 -3.055 -6.234 1.00 0.31 H new ATOM 1028 N PHE A 370 -4.105 -0.259 -8.171 1.00 0.25 N ATOM 1029 CA PHE A 370 -4.402 1.088 -8.620 1.00 0.26 C ATOM 1030 C PHE A 370 -5.133 1.047 -9.956 1.00 0.31 C ATOM 1031 O PHE A 370 -5.413 2.087 -10.554 1.00 0.35 O ATOM 1032 CB PHE A 370 -3.107 1.897 -8.737 1.00 0.31 C ATOM 1033 CG PHE A 370 -2.296 1.902 -7.471 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.608 2.768 -6.436 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -1.231 1.031 -7.311 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -1.874 2.766 -5.267 1.00 0.41 C ATOM 1037 CE2 PHE A 370 -0.490 1.026 -6.145 1.00 0.42 C ATOM 1038 CZ PHE A 370 -0.815 1.892 -5.121 1.00 0.44 C ATOM 0 H PHE A 370 -3.497 -0.786 -8.798 1.00 0.25 H new ATOM 0 HA PHE A 370 -5.049 1.573 -7.889 1.00 0.26 H new ATOM 0 HB2 PHE A 370 -2.503 1.488 -9.547 1.00 0.31 H new ATOM 0 HB3 PHE A 370 -3.351 2.924 -9.009 1.00 0.31 H new ATOM 0 HD1 PHE A 370 -3.436 3.453 -6.545 1.00 0.35 H new ATOM 0 HD2 PHE A 370 -0.977 0.347 -8.108 1.00 0.37 H new ATOM 0 HE1 PHE A 370 -2.128 3.447 -4.468 1.00 0.41 H new ATOM 0 HE2 PHE A 370 0.342 0.346 -6.035 1.00 0.42 H new ATOM 0 HZ PHE A 370 -0.241 1.886 -4.206 1.00 0.44 H new ATOM 1048 N GLY A 371 -5.443 -0.165 -10.411 1.00 0.40 N ATOM 1049 CA GLY A 371 -6.154 -0.343 -11.661 1.00 0.50 C ATOM 1050 C GLY A 371 -5.442 0.291 -12.840 1.00 0.49 C ATOM 1051 O GLY A 371 -4.264 0.020 -13.091 1.00 0.58 O ATOM 0 H GLY A 371 -5.211 -1.033 -9.929 1.00 0.40 H new ATOM 0 HA2 GLY A 371 -6.283 -1.408 -11.851 1.00 0.50 H new ATOM 0 HA3 GLY A 371 -7.151 0.088 -11.571 1.00 0.50 H new ATOM 1055 N ASP A 372 -6.157 1.152 -13.551 1.00 0.49 N ATOM 1056 CA ASP A 372 -5.612 1.839 -14.714 1.00 0.56 C ATOM 1057 C ASP A 372 -4.721 3.003 -14.283 1.00 0.55 C ATOM 1058 O ASP A 372 -5.046 4.175 -14.492 1.00 0.72 O ATOM 1059 CB ASP A 372 -6.747 2.330 -15.618 1.00 0.71 C ATOM 1060 CG ASP A 372 -6.246 2.950 -16.908 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -5.554 2.250 -17.679 1.00 1.89 O ATOM 1062 OD2 ASP A 372 -6.526 4.144 -17.148 1.00 2.38 O ATOM 0 H ASP A 372 -7.125 1.393 -13.340 1.00 0.49 H new ATOM 0 HA ASP A 372 -5.000 1.136 -15.279 1.00 0.56 H new ATOM 0 HB2 ASP A 372 -7.405 1.494 -15.854 1.00 0.71 H new ATOM 0 HB3 ASP A 372 -7.345 3.063 -15.077 1.00 0.71 H new ATOM 1067 N TYR A 373 -3.613 2.674 -13.638 1.00 0.52 N ATOM 1068 CA TYR A 373 -2.675 3.682 -13.169 1.00 0.51 C ATOM 1069 C TYR A 373 -1.240 3.233 -13.416 1.00 0.52 C ATOM 1070 O TYR A 373 -0.425 3.994 -13.933 1.00 0.60 O ATOM 1071 CB TYR A 373 -2.901 3.968 -11.682 1.00 0.50 C ATOM 1072 CG TYR A 373 -2.008 5.056 -11.127 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -2.303 6.398 -11.329 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -0.870 4.738 -10.399 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.486 7.392 -10.822 1.00 0.64 C ATOM 1076 CE2 TYR A 373 -0.051 5.724 -9.891 1.00 0.64 C ATOM 1077 CZ TYR A 373 -0.361 7.048 -10.105 1.00 0.67 C ATOM 1078 OH TYR A 373 0.456 8.031 -9.596 1.00 0.79 O ATOM 0 H TYR A 373 -3.341 1.714 -13.427 1.00 0.52 H new ATOM 0 HA TYR A 373 -2.846 4.602 -13.728 1.00 0.51 H new ATOM 0 HB2 TYR A 373 -3.942 4.253 -11.530 1.00 0.50 H new ATOM 0 HB3 TYR A 373 -2.736 3.051 -11.116 1.00 0.50 H new ATOM 0 HD1 TYR A 373 -3.184 6.670 -11.891 1.00 0.56 H new ATOM 0 HD2 TYR A 373 -0.622 3.701 -10.228 1.00 0.56 H new ATOM 0 HE1 TYR A 373 -1.728 8.431 -10.987 1.00 0.64 H new ATOM 0 HE2 TYR A 373 0.831 5.458 -9.327 1.00 0.64 H new ATOM 0 HH TYR A 373 1.204 7.618 -9.116 1.00 0.79 H new ATOM 1088 N GLN A 374 -0.937 1.995 -13.054 1.00 0.53 N ATOM 1089 CA GLN A 374 0.389 1.442 -13.286 1.00 0.59 C ATOM 1090 C GLN A 374 0.281 0.024 -13.829 1.00 0.60 C ATOM 1091 O GLN A 374 -0.823 -0.500 -13.990 1.00 0.59 O ATOM 1092 CB GLN A 374 1.229 1.463 -12.004 1.00 0.63 C ATOM 1093 CG GLN A 374 0.641 0.660 -10.852 1.00 0.59 C ATOM 1094 CD GLN A 374 1.556 0.626 -9.640 1.00 0.69 C ATOM 1095 OE1 GLN A 374 1.570 -0.346 -8.887 1.00 1.09 O ATOM 1096 NE2 GLN A 374 2.323 1.688 -9.436 1.00 0.85 N ATOM 0 H GLN A 374 -1.589 1.356 -12.600 1.00 0.53 H new ATOM 0 HA GLN A 374 0.892 2.065 -14.026 1.00 0.59 H new ATOM 0 HB2 GLN A 374 2.223 1.077 -12.229 1.00 0.63 H new ATOM 0 HB3 GLN A 374 1.354 2.497 -11.683 1.00 0.63 H new ATOM 0 HG2 GLN A 374 -0.319 1.090 -10.566 1.00 0.59 H new ATOM 0 HG3 GLN A 374 0.447 -0.359 -11.186 1.00 0.59 H new ATOM 0 HE21 GLN A 374 2.285 2.476 -10.082 1.00 0.85 H new ATOM 0 HE22 GLN A 374 2.951 1.717 -8.633 1.00 0.85 H new ATOM 1105 N ASP A 375 1.422 -0.587 -14.112 1.00 0.74 N ATOM 1106 CA ASP A 375 1.452 -1.926 -14.681 1.00 0.78 C ATOM 1107 C ASP A 375 1.595 -2.972 -13.591 1.00 0.64 C ATOM 1108 O ASP A 375 2.628 -3.054 -12.918 1.00 0.73 O ATOM 1109 CB ASP A 375 2.596 -2.062 -15.682 1.00 1.06 C ATOM 1110 CG ASP A 375 2.358 -1.273 -16.951 1.00 1.71 C ATOM 1111 OD1 ASP A 375 2.673 -0.068 -16.980 1.00 2.30 O ATOM 1112 OD2 ASP A 375 1.870 -1.862 -17.936 1.00 2.21 O ATOM 0 H ASP A 375 2.342 -0.175 -13.956 1.00 0.74 H new ATOM 0 HA ASP A 375 0.508 -2.089 -15.201 1.00 0.78 H new ATOM 0 HB2 ASP A 375 3.522 -1.724 -15.217 1.00 1.06 H new ATOM 0 HB3 ASP A 375 2.731 -3.114 -15.933 1.00 1.06 H new ATOM 1117 N GLY A 376 0.558 -3.772 -13.418 1.00 0.57 N ATOM 1118 CA GLY A 376 0.577 -4.790 -12.398 1.00 0.53 C ATOM 1119 C GLY A 376 0.022 -4.279 -11.088 1.00 0.52 C ATOM 1120 O GLY A 376 -0.674 -3.261 -11.058 1.00 0.70 O ATOM 0 H GLY A 376 -0.299 -3.733 -13.969 1.00 0.57 H new ATOM 0 HA2 GLY A 376 -0.006 -5.649 -12.730 1.00 0.53 H new ATOM 0 HA3 GLY A 376 1.599 -5.137 -12.249 1.00 0.53 H new ATOM 1124 N TYR A 377 0.317 -4.984 -10.014 1.00 0.46 N ATOM 1125 CA TYR A 377 -0.141 -4.592 -8.694 1.00 0.46 C ATOM 1126 C TYR A 377 1.053 -4.278 -7.804 1.00 0.37 C ATOM 1127 O TYR A 377 2.195 -4.228 -8.271 1.00 0.38 O ATOM 1128 CB TYR A 377 -0.986 -5.710 -8.072 1.00 0.53 C ATOM 1129 CG TYR A 377 -2.137 -6.151 -8.947 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -3.287 -5.382 -9.057 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -2.067 -7.333 -9.671 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -4.335 -5.778 -9.866 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -3.111 -7.737 -10.480 1.00 0.76 C ATOM 1134 CZ TYR A 377 -4.243 -6.954 -10.575 1.00 0.91 C ATOM 1135 OH TYR A 377 -5.282 -7.349 -11.389 1.00 1.06 O ATOM 0 H TYR A 377 0.876 -5.837 -10.029 1.00 0.46 H new ATOM 0 HA TYR A 377 -0.759 -3.699 -8.785 1.00 0.46 H new ATOM 0 HB2 TYR A 377 -0.346 -6.568 -7.867 1.00 0.53 H new ATOM 0 HB3 TYR A 377 -1.378 -5.369 -7.114 1.00 0.53 H new ATOM 0 HD1 TYR A 377 -3.364 -4.459 -8.501 1.00 0.83 H new ATOM 0 HD2 TYR A 377 -1.181 -7.947 -9.601 1.00 0.64 H new ATOM 0 HE1 TYR A 377 -5.222 -5.167 -9.942 1.00 0.97 H new ATOM 0 HE2 TYR A 377 -3.042 -8.661 -11.035 1.00 0.76 H new ATOM 0 HH TYR A 377 -5.056 -8.201 -11.818 1.00 1.06 H new ATOM 1145 N TYR A 378 0.789 -4.060 -6.530 1.00 0.32 N ATOM 1146 CA TYR A 378 1.844 -3.799 -5.570 1.00 0.29 C ATOM 1147 C TYR A 378 1.800 -4.837 -4.455 1.00 0.24 C ATOM 1148 O TYR A 378 1.082 -4.675 -3.469 1.00 0.26 O ATOM 1149 CB TYR A 378 1.704 -2.381 -5.006 1.00 0.31 C ATOM 1150 CG TYR A 378 2.760 -2.012 -3.990 1.00 0.32 C ATOM 1151 CD1 TYR A 378 4.104 -1.977 -4.335 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.408 -1.689 -2.686 1.00 0.37 C ATOM 1153 CE1 TYR A 378 5.068 -1.632 -3.410 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.365 -1.342 -1.754 1.00 0.40 C ATOM 1155 CZ TYR A 378 4.693 -1.315 -2.120 1.00 0.41 C ATOM 1156 OH TYR A 378 5.648 -0.966 -1.193 1.00 0.47 O ATOM 0 H TYR A 378 -0.151 -4.059 -6.135 1.00 0.32 H new ATOM 0 HA TYR A 378 2.810 -3.872 -6.069 1.00 0.29 H new ATOM 0 HB2 TYR A 378 1.744 -1.669 -5.830 1.00 0.31 H new ATOM 0 HB3 TYR A 378 0.721 -2.281 -4.545 1.00 0.31 H new ATOM 0 HD1 TYR A 378 4.400 -2.224 -5.344 1.00 0.36 H new ATOM 0 HD2 TYR A 378 1.368 -1.710 -2.396 1.00 0.37 H new ATOM 0 HE1 TYR A 378 6.110 -1.610 -3.694 1.00 0.41 H new ATOM 0 HE2 TYR A 378 3.075 -1.093 -0.744 1.00 0.40 H new ATOM 0 HH TYR A 378 6.534 -0.991 -1.611 1.00 0.47 H new ATOM 1166 N SER A 379 2.543 -5.917 -4.641 1.00 0.26 N ATOM 1167 CA SER A 379 2.572 -7.001 -3.674 1.00 0.27 C ATOM 1168 C SER A 379 3.842 -6.940 -2.832 1.00 0.24 C ATOM 1169 O SER A 379 4.953 -7.038 -3.355 1.00 0.29 O ATOM 1170 CB SER A 379 2.496 -8.348 -4.396 1.00 0.36 C ATOM 1171 OG SER A 379 1.395 -8.391 -5.291 1.00 1.06 O ATOM 0 H SER A 379 3.136 -6.065 -5.457 1.00 0.26 H new ATOM 0 HA SER A 379 1.711 -6.895 -3.014 1.00 0.27 H new ATOM 0 HB2 SER A 379 3.421 -8.521 -4.945 1.00 0.36 H new ATOM 0 HB3 SER A 379 2.404 -9.151 -3.664 1.00 0.36 H new ATOM 0 HG SER A 379 1.372 -9.262 -5.740 1.00 1.06 H new ATOM 1177 N VAL A 380 3.674 -6.773 -1.529 1.00 0.22 N ATOM 1178 CA VAL A 380 4.801 -6.748 -0.609 1.00 0.24 C ATOM 1179 C VAL A 380 4.589 -7.730 0.533 1.00 0.23 C ATOM 1180 O VAL A 380 3.492 -7.824 1.088 1.00 0.30 O ATOM 1181 CB VAL A 380 5.047 -5.336 -0.033 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.649 -4.427 -1.090 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.757 -4.734 0.511 1.00 0.29 C ATOM 0 H VAL A 380 2.764 -6.652 -1.084 1.00 0.22 H new ATOM 0 HA VAL A 380 5.681 -7.041 -1.182 1.00 0.24 H new ATOM 0 HB VAL A 380 5.753 -5.428 0.792 1.00 0.27 H new ATOM 0 HG11 VAL A 380 5.815 -3.437 -0.666 1.00 0.33 H new ATOM 0 HG12 VAL A 380 6.599 -4.841 -1.428 1.00 0.33 H new ATOM 0 HG13 VAL A 380 4.965 -4.350 -1.936 1.00 0.33 H new ATOM 0 HG21 VAL A 380 3.959 -3.740 0.910 1.00 0.29 H new ATOM 0 HG22 VAL A 380 3.023 -4.660 -0.292 1.00 0.29 H new ATOM 0 HG23 VAL A 380 3.365 -5.371 1.304 1.00 0.29 H new ATOM 1193 N GLN A 381 5.632 -8.466 0.873 1.00 0.22 N ATOM 1194 CA GLN A 381 5.552 -9.438 1.945 1.00 0.24 C ATOM 1195 C GLN A 381 5.691 -8.741 3.289 1.00 0.24 C ATOM 1196 O GLN A 381 6.658 -8.017 3.532 1.00 0.32 O ATOM 1197 CB GLN A 381 6.620 -10.518 1.771 1.00 0.34 C ATOM 1198 CG GLN A 381 6.624 -11.569 2.871 1.00 0.43 C ATOM 1199 CD GLN A 381 7.429 -12.800 2.500 1.00 0.72 C ATOM 1200 OE1 GLN A 381 7.501 -13.180 1.332 1.00 1.47 O ATOM 1201 NE2 GLN A 381 8.038 -13.432 3.491 1.00 0.94 N ATOM 0 H GLN A 381 6.545 -8.408 0.421 1.00 0.22 H new ATOM 0 HA GLN A 381 4.578 -9.925 1.910 1.00 0.24 H new ATOM 0 HB2 GLN A 381 6.469 -11.012 0.811 1.00 0.34 H new ATOM 0 HB3 GLN A 381 7.600 -10.042 1.734 1.00 0.34 H new ATOM 0 HG2 GLN A 381 7.033 -11.134 3.783 1.00 0.43 H new ATOM 0 HG3 GLN A 381 5.598 -11.863 3.091 1.00 0.43 H new ATOM 0 HE21 GLN A 381 7.953 -13.084 4.446 1.00 0.94 H new ATOM 0 HE22 GLN A 381 8.592 -14.267 3.299 1.00 0.94 H new ATOM 1210 N THR A 382 4.701 -8.945 4.138 1.00 0.21 N ATOM 1211 CA THR A 382 4.657 -8.319 5.443 1.00 0.26 C ATOM 1212 C THR A 382 3.688 -9.078 6.337 1.00 0.25 C ATOM 1213 O THR A 382 2.711 -9.651 5.853 1.00 0.30 O ATOM 1214 CB THR A 382 4.228 -6.833 5.344 1.00 0.30 C ATOM 1215 OG1 THR A 382 4.183 -6.240 6.647 1.00 0.42 O ATOM 1216 CG2 THR A 382 2.866 -6.694 4.675 1.00 0.28 C ATOM 0 H THR A 382 3.904 -9.551 3.940 1.00 0.21 H new ATOM 0 HA THR A 382 5.659 -8.350 5.871 1.00 0.26 H new ATOM 0 HB THR A 382 4.968 -6.315 4.734 1.00 0.30 H new ATOM 0 HG1 THR A 382 3.912 -5.301 6.570 1.00 0.42 H new ATOM 0 HG21 THR A 382 2.593 -5.640 4.621 1.00 0.28 H new ATOM 0 HG22 THR A 382 2.911 -7.110 3.668 1.00 0.28 H new ATOM 0 HG23 THR A 382 2.118 -7.233 5.257 1.00 0.28 H new ATOM 1224 N THR A 383 3.965 -9.101 7.627 1.00 0.31 N ATOM 1225 CA THR A 383 3.107 -9.788 8.574 1.00 0.37 C ATOM 1226 C THR A 383 2.066 -8.843 9.161 1.00 0.36 C ATOM 1227 O THR A 383 1.256 -9.240 9.996 1.00 0.46 O ATOM 1228 CB THR A 383 3.935 -10.414 9.711 1.00 0.50 C ATOM 1229 OG1 THR A 383 4.928 -9.481 10.165 1.00 0.55 O ATOM 1230 CG2 THR A 383 4.607 -11.698 9.252 1.00 0.55 C ATOM 0 H THR A 383 4.780 -8.651 8.044 1.00 0.31 H new ATOM 0 HA THR A 383 2.593 -10.581 8.031 1.00 0.37 H new ATOM 0 HB THR A 383 3.260 -10.654 10.532 1.00 0.50 H new ATOM 0 HG1 THR A 383 5.450 -9.885 10.889 1.00 0.55 H new ATOM 0 HG21 THR A 383 5.185 -12.120 10.074 1.00 0.55 H new ATOM 0 HG22 THR A 383 3.848 -12.414 8.938 1.00 0.55 H new ATOM 0 HG23 THR A 383 5.271 -11.482 8.415 1.00 0.55 H new ATOM 1238 N GLU A 384 2.082 -7.596 8.710 1.00 0.31 N ATOM 1239 CA GLU A 384 1.212 -6.572 9.268 1.00 0.35 C ATOM 1240 C GLU A 384 0.308 -5.969 8.197 1.00 0.28 C ATOM 1241 O GLU A 384 -0.030 -4.783 8.243 1.00 0.27 O ATOM 1242 CB GLU A 384 2.060 -5.486 9.927 1.00 0.46 C ATOM 1243 CG GLU A 384 2.910 -6.014 11.070 1.00 0.57 C ATOM 1244 CD GLU A 384 3.762 -4.944 11.710 1.00 0.90 C ATOM 1245 OE1 GLU A 384 3.282 -4.291 12.659 1.00 1.39 O ATOM 1246 OE2 GLU A 384 4.909 -4.744 11.261 1.00 0.95 O ATOM 0 H GLU A 384 2.689 -7.270 7.958 1.00 0.31 H new ATOM 0 HA GLU A 384 0.569 -7.033 10.018 1.00 0.35 H new ATOM 0 HB2 GLU A 384 2.709 -5.033 9.177 1.00 0.46 H new ATOM 0 HB3 GLU A 384 1.406 -4.698 10.301 1.00 0.46 H new ATOM 0 HG2 GLU A 384 2.260 -6.455 11.826 1.00 0.57 H new ATOM 0 HG3 GLU A 384 3.554 -6.811 10.699 1.00 0.57 H new ATOM 1253 N GLY A 385 -0.112 -6.806 7.257 1.00 0.27 N ATOM 1254 CA GLY A 385 -0.974 -6.350 6.181 1.00 0.27 C ATOM 1255 C GLY A 385 -2.342 -5.915 6.675 1.00 0.26 C ATOM 1256 O GLY A 385 -2.970 -5.032 6.087 1.00 0.27 O ATOM 0 H GLY A 385 0.129 -7.796 7.220 1.00 0.27 H new ATOM 0 HA2 GLY A 385 -0.496 -5.517 5.665 1.00 0.27 H new ATOM 0 HA3 GLY A 385 -1.093 -7.151 5.451 1.00 0.27 H new ATOM 1260 N GLU A 386 -2.798 -6.530 7.765 1.00 0.30 N ATOM 1261 CA GLU A 386 -4.101 -6.211 8.338 1.00 0.35 C ATOM 1262 C GLU A 386 -4.138 -4.762 8.824 1.00 0.31 C ATOM 1263 O GLU A 386 -5.126 -4.051 8.617 1.00 0.36 O ATOM 1264 CB GLU A 386 -4.424 -7.164 9.494 1.00 0.44 C ATOM 1265 CG GLU A 386 -5.832 -7.000 10.045 1.00 0.53 C ATOM 1266 CD GLU A 386 -6.101 -7.876 11.251 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -6.551 -9.026 11.068 1.00 1.77 O ATOM 1268 OE2 GLU A 386 -5.848 -7.432 12.388 1.00 2.28 O ATOM 0 H GLU A 386 -2.283 -7.252 8.268 1.00 0.30 H new ATOM 0 HA GLU A 386 -4.855 -6.334 7.560 1.00 0.35 H new ATOM 0 HB2 GLU A 386 -4.294 -8.191 9.154 1.00 0.44 H new ATOM 0 HB3 GLU A 386 -3.707 -7.001 10.299 1.00 0.44 H new ATOM 0 HG2 GLU A 386 -5.990 -5.957 10.318 1.00 0.53 H new ATOM 0 HG3 GLU A 386 -6.553 -7.237 9.262 1.00 0.53 H new ATOM 1275 N GLN A 387 -3.051 -4.329 9.462 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.940 -2.956 9.954 1.00 0.30 C ATOM 1277 C GLN A 387 -2.968 -1.956 8.807 1.00 0.27 C ATOM 1278 O GLN A 387 -3.651 -0.933 8.883 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.647 -2.773 10.749 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.684 -3.378 12.139 1.00 0.45 C ATOM 1281 CD GLN A 387 -0.319 -3.391 12.792 1.00 1.13 C ATOM 1282 OE1 GLN A 387 0.081 -2.436 13.461 1.00 2.27 O ATOM 1283 NE2 GLN A 387 0.404 -4.481 12.607 1.00 0.83 N ATOM 0 H GLN A 387 -2.234 -4.910 9.650 1.00 0.29 H new ATOM 0 HA GLN A 387 -3.796 -2.772 10.603 1.00 0.30 H new ATOM 0 HB2 GLN A 387 -0.824 -3.220 10.192 1.00 0.35 H new ATOM 0 HB3 GLN A 387 -1.433 -1.708 10.834 1.00 0.35 H new ATOM 0 HG2 GLN A 387 -2.377 -2.813 12.761 1.00 0.45 H new ATOM 0 HG3 GLN A 387 -2.067 -4.397 12.080 1.00 0.45 H new ATOM 0 HE21 GLN A 387 0.035 -5.249 12.046 1.00 0.83 H new ATOM 0 HE22 GLN A 387 1.331 -4.555 13.025 1.00 0.83 H new ATOM 1292 N ILE A 388 -2.227 -2.261 7.746 1.00 0.24 N ATOM 1293 CA ILE A 388 -2.127 -1.371 6.593 1.00 0.23 C ATOM 1294 C ILE A 388 -3.508 -1.096 6.004 1.00 0.22 C ATOM 1295 O ILE A 388 -3.871 0.054 5.757 1.00 0.22 O ATOM 1296 CB ILE A 388 -1.219 -1.965 5.493 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.107 -2.441 6.092 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.968 -0.931 4.403 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.030 -3.102 5.089 1.00 0.29 C ATOM 0 H ILE A 388 -1.685 -3.121 7.660 1.00 0.24 H new ATOM 0 HA ILE A 388 -1.685 -0.439 6.946 1.00 0.23 H new ATOM 0 HB ILE A 388 -1.725 -2.823 5.051 1.00 0.23 H new ATOM 0 HG12 ILE A 388 0.620 -1.589 6.537 1.00 0.27 H new ATOM 0 HG13 ILE A 388 -0.101 -3.144 6.898 1.00 0.27 H new ATOM 0 HG21 ILE A 388 -0.327 -1.362 3.634 1.00 0.24 H new ATOM 0 HG22 ILE A 388 -1.918 -0.633 3.959 1.00 0.24 H new ATOM 0 HG23 ILE A 388 -0.480 -0.058 4.835 1.00 0.24 H new ATOM 0 HD11 ILE A 388 1.948 -3.412 5.588 1.00 0.29 H new ATOM 0 HD12 ILE A 388 0.537 -3.975 4.661 1.00 0.29 H new ATOM 0 HD13 ILE A 388 1.270 -2.395 4.295 1.00 0.29 H new ATOM 1311 N ALA A 389 -4.276 -2.162 5.809 1.00 0.22 N ATOM 1312 CA ALA A 389 -5.604 -2.060 5.216 1.00 0.24 C ATOM 1313 C ALA A 389 -6.529 -1.179 6.053 1.00 0.22 C ATOM 1314 O ALA A 389 -7.236 -0.323 5.517 1.00 0.23 O ATOM 1315 CB ALA A 389 -6.205 -3.447 5.052 1.00 0.28 C ATOM 0 H ALA A 389 -3.999 -3.112 6.055 1.00 0.22 H new ATOM 0 HA ALA A 389 -5.500 -1.592 4.237 1.00 0.24 H new ATOM 0 HB1 ALA A 389 -7.197 -3.363 4.608 1.00 0.28 H new ATOM 0 HB2 ALA A 389 -5.566 -4.046 4.403 1.00 0.28 H new ATOM 0 HB3 ALA A 389 -6.283 -3.927 6.027 1.00 0.28 H new ATOM 1321 N GLN A 390 -6.509 -1.390 7.364 1.00 0.22 N ATOM 1322 CA GLN A 390 -7.372 -0.645 8.274 1.00 0.25 C ATOM 1323 C GLN A 390 -7.032 0.841 8.249 1.00 0.21 C ATOM 1324 O GLN A 390 -7.916 1.689 8.121 1.00 0.23 O ATOM 1325 CB GLN A 390 -7.229 -1.183 9.699 1.00 0.34 C ATOM 1326 CG GLN A 390 -8.170 -0.524 10.695 1.00 0.50 C ATOM 1327 CD GLN A 390 -7.923 -0.976 12.120 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -8.487 -1.972 12.574 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -7.098 -0.234 12.843 1.00 1.61 N ATOM 0 H GLN A 390 -5.904 -2.072 7.821 1.00 0.22 H new ATOM 0 HA GLN A 390 -8.403 -0.772 7.943 1.00 0.25 H new ATOM 0 HB2 GLN A 390 -7.414 -2.257 9.693 1.00 0.34 H new ATOM 0 HB3 GLN A 390 -6.201 -1.038 10.032 1.00 0.34 H new ATOM 0 HG2 GLN A 390 -8.055 0.558 10.636 1.00 0.50 H new ATOM 0 HG3 GLN A 390 -9.200 -0.750 10.420 1.00 0.50 H new ATOM 0 HE21 GLN A 390 -6.651 0.584 12.428 1.00 1.61 H new ATOM 0 HE22 GLN A 390 -6.909 -0.480 13.815 1.00 1.61 H new ATOM 1338 N LEU A 391 -5.745 1.144 8.355 1.00 0.21 N ATOM 1339 CA LEU A 391 -5.287 2.523 8.423 1.00 0.22 C ATOM 1340 C LEU A 391 -5.609 3.289 7.130 1.00 0.20 C ATOM 1341 O LEU A 391 -6.077 4.428 7.192 1.00 0.22 O ATOM 1342 CB LEU A 391 -3.783 2.555 8.778 1.00 0.26 C ATOM 1343 CG LEU A 391 -3.045 3.889 8.598 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -2.572 4.015 7.190 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -3.898 5.070 9.054 1.00 0.63 C ATOM 0 H LEU A 391 -4.999 0.450 8.396 1.00 0.21 H new ATOM 0 HA LEU A 391 -5.828 3.040 9.216 1.00 0.22 H new ATOM 0 HB2 LEU A 391 -3.675 2.248 9.818 1.00 0.26 H new ATOM 0 HB3 LEU A 391 -3.277 1.805 8.170 1.00 0.26 H new ATOM 0 HG LEU A 391 -2.165 3.902 9.242 1.00 0.27 H new ATOM 0 HD11 LEU A 391 -2.049 4.963 7.065 1.00 0.60 H new ATOM 0 HD12 LEU A 391 -1.894 3.193 6.959 1.00 0.60 H new ATOM 0 HD13 LEU A 391 -3.427 3.981 6.515 1.00 0.60 H new ATOM 0 HD21 LEU A 391 -3.342 5.997 8.911 1.00 0.63 H new ATOM 0 HD22 LEU A 391 -4.816 5.104 8.468 1.00 0.63 H new ATOM 0 HD23 LEU A 391 -4.146 4.954 10.109 1.00 0.63 H new ATOM 1357 N ILE A 392 -5.382 2.682 5.966 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.654 3.377 4.707 1.00 0.17 C ATOM 1359 C ILE A 392 -7.117 3.802 4.648 1.00 0.17 C ATOM 1360 O ILE A 392 -7.433 4.946 4.314 1.00 0.19 O ATOM 1361 CB ILE A 392 -5.316 2.523 3.461 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.822 2.184 3.439 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.717 3.259 2.179 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -3.416 1.288 2.287 1.00 0.21 C ATOM 0 H ILE A 392 -5.019 1.734 5.867 1.00 0.18 H new ATOM 0 HA ILE A 392 -5.004 4.252 4.688 1.00 0.17 H new ATOM 0 HB ILE A 392 -5.883 1.594 3.514 1.00 0.17 H new ATOM 0 HG12 ILE A 392 -3.249 3.110 3.386 1.00 0.19 H new ATOM 0 HG13 ILE A 392 -3.555 1.697 4.377 1.00 0.19 H new ATOM 0 HG21 ILE A 392 -5.472 2.643 1.314 1.00 0.19 H new ATOM 0 HG22 ILE A 392 -6.789 3.455 2.192 1.00 0.19 H new ATOM 0 HG23 ILE A 392 -5.176 4.203 2.117 1.00 0.19 H new ATOM 0 HD11 ILE A 392 -2.345 1.092 2.338 1.00 0.21 H new ATOM 0 HD12 ILE A 392 -3.961 0.346 2.349 1.00 0.21 H new ATOM 0 HD13 ILE A 392 -3.650 1.780 1.343 1.00 0.21 H new ATOM 1376 N ALA A 393 -8.004 2.884 5.014 1.00 0.18 N ATOM 1377 CA ALA A 393 -9.429 3.172 5.048 1.00 0.21 C ATOM 1378 C ALA A 393 -9.745 4.212 6.121 1.00 0.23 C ATOM 1379 O ALA A 393 -10.734 4.935 6.024 1.00 0.29 O ATOM 1380 CB ALA A 393 -10.221 1.898 5.289 1.00 0.24 C ATOM 0 H ALA A 393 -7.759 1.933 5.291 1.00 0.18 H new ATOM 0 HA ALA A 393 -9.720 3.583 4.081 1.00 0.21 H new ATOM 0 HB1 ALA A 393 -11.286 2.130 5.312 1.00 0.24 H new ATOM 0 HB2 ALA A 393 -10.022 1.188 4.486 1.00 0.24 H new ATOM 0 HB3 ALA A 393 -9.925 1.460 6.242 1.00 0.24 H new ATOM 1386 N GLY A 394 -8.890 4.282 7.136 1.00 0.23 N ATOM 1387 CA GLY A 394 -9.058 5.252 8.203 1.00 0.27 C ATOM 1388 C GLY A 394 -8.828 6.678 7.736 1.00 0.28 C ATOM 1389 O GLY A 394 -9.651 7.560 7.992 1.00 0.35 O ATOM 0 H GLY A 394 -8.075 3.677 7.239 1.00 0.23 H new ATOM 0 HA2 GLY A 394 -10.064 5.165 8.613 1.00 0.27 H new ATOM 0 HA3 GLY A 394 -8.364 5.022 9.011 1.00 0.27 H new ATOM 1393 N TYR A 395 -7.711 6.911 7.051 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.430 8.229 6.485 1.00 0.30 C ATOM 1395 C TYR A 395 -8.458 8.571 5.415 1.00 0.30 C ATOM 1396 O TYR A 395 -8.930 9.704 5.326 1.00 0.36 O ATOM 1397 CB TYR A 395 -6.016 8.294 5.894 1.00 0.31 C ATOM 1398 CG TYR A 395 -4.924 8.534 6.917 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -5.110 9.429 7.961 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -3.706 7.871 6.834 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -4.115 9.658 8.892 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -2.706 8.095 7.760 1.00 0.51 C ATOM 1403 CZ TYR A 395 -2.915 8.988 8.785 1.00 0.58 C ATOM 1404 OH TYR A 395 -1.920 9.214 9.709 1.00 0.70 O ATOM 0 H TYR A 395 -6.990 6.211 6.875 1.00 0.27 H new ATOM 0 HA TYR A 395 -7.493 8.960 7.292 1.00 0.30 H new ATOM 0 HB2 TYR A 395 -5.810 7.360 5.372 1.00 0.31 H new ATOM 0 HB3 TYR A 395 -5.982 9.090 5.150 1.00 0.31 H new ATOM 0 HD1 TYR A 395 -6.049 9.956 8.047 1.00 0.48 H new ATOM 0 HD2 TYR A 395 -3.538 7.168 6.031 1.00 0.41 H new ATOM 0 HE1 TYR A 395 -4.276 10.358 9.699 1.00 0.58 H new ATOM 0 HE2 TYR A 395 -1.765 7.572 7.680 1.00 0.51 H new ATOM 0 HH TYR A 395 -1.140 8.662 9.491 1.00 0.70 H new ATOM 1414 N ILE A 396 -8.813 7.572 4.619 1.00 0.27 N ATOM 1415 CA ILE A 396 -9.828 7.725 3.588 1.00 0.31 C ATOM 1416 C ILE A 396 -11.184 8.084 4.201 1.00 0.37 C ATOM 1417 O ILE A 396 -11.942 8.875 3.641 1.00 0.45 O ATOM 1418 CB ILE A 396 -9.919 6.439 2.734 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -8.736 6.402 1.759 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -11.255 6.326 2.006 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -8.672 5.158 0.902 1.00 0.42 C ATOM 0 H ILE A 396 -8.407 6.637 4.670 1.00 0.27 H new ATOM 0 HA ILE A 396 -9.538 8.548 2.935 1.00 0.31 H new ATOM 0 HB ILE A 396 -9.865 5.574 3.395 1.00 0.33 H new ATOM 0 HG12 ILE A 396 -8.790 7.275 1.108 1.00 0.34 H new ATOM 0 HG13 ILE A 396 -7.810 6.485 2.327 1.00 0.34 H new ATOM 0 HG21 ILE A 396 -11.273 5.408 1.419 1.00 0.38 H new ATOM 0 HG22 ILE A 396 -12.066 6.307 2.734 1.00 0.38 H new ATOM 0 HG23 ILE A 396 -11.382 7.182 1.344 1.00 0.38 H new ATOM 0 HD11 ILE A 396 -7.806 5.215 0.242 1.00 0.42 H new ATOM 0 HD12 ILE A 396 -8.584 4.280 1.542 1.00 0.42 H new ATOM 0 HD13 ILE A 396 -9.580 5.082 0.303 1.00 0.42 H new ATOM 1433 N ASP A 397 -11.457 7.524 5.375 1.00 0.38 N ATOM 1434 CA ASP A 397 -12.687 7.815 6.112 1.00 0.47 C ATOM 1435 C ASP A 397 -12.780 9.299 6.465 1.00 0.51 C ATOM 1436 O ASP A 397 -13.871 9.859 6.554 1.00 0.63 O ATOM 1437 CB ASP A 397 -12.747 6.958 7.384 1.00 0.52 C ATOM 1438 CG ASP A 397 -13.919 7.300 8.283 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -15.046 6.825 8.012 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -13.713 8.022 9.278 1.00 0.99 O ATOM 0 H ASP A 397 -10.839 6.860 5.842 1.00 0.38 H new ATOM 0 HA ASP A 397 -13.536 7.570 5.474 1.00 0.47 H new ATOM 0 HB2 ASP A 397 -12.808 5.907 7.103 1.00 0.52 H new ATOM 0 HB3 ASP A 397 -11.820 7.085 7.943 1.00 0.52 H new ATOM 1445 N ILE A 398 -11.627 9.933 6.647 1.00 0.47 N ATOM 1446 CA ILE A 398 -11.574 11.357 6.964 1.00 0.53 C ATOM 1447 C ILE A 398 -11.869 12.191 5.720 1.00 0.55 C ATOM 1448 O ILE A 398 -12.569 13.206 5.783 1.00 0.65 O ATOM 1449 CB ILE A 398 -10.192 11.757 7.528 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -9.868 10.932 8.775 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -10.146 13.246 7.845 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -8.522 11.260 9.385 1.00 0.81 C ATOM 0 H ILE A 398 -10.714 9.483 6.580 1.00 0.47 H new ATOM 0 HA ILE A 398 -12.331 11.551 7.724 1.00 0.53 H new ATOM 0 HB ILE A 398 -9.439 11.550 6.768 1.00 0.54 H new ATOM 0 HG12 ILE A 398 -10.645 11.096 9.521 1.00 0.57 H new ATOM 0 HG13 ILE A 398 -9.892 9.873 8.517 1.00 0.57 H new ATOM 0 HG21 ILE A 398 -9.164 13.504 8.241 1.00 0.62 H new ATOM 0 HG22 ILE A 398 -10.332 13.818 6.936 1.00 0.62 H new ATOM 0 HG23 ILE A 398 -10.909 13.484 8.586 1.00 0.62 H new ATOM 0 HD11 ILE A 398 -8.360 10.637 10.265 1.00 0.81 H new ATOM 0 HD12 ILE A 398 -7.735 11.069 8.655 1.00 0.81 H new ATOM 0 HD13 ILE A 398 -8.500 12.310 9.675 1.00 0.81 H new ATOM 1464 N ILE A 399 -11.339 11.744 4.588 1.00 0.50 N ATOM 1465 CA ILE A 399 -11.504 12.447 3.320 1.00 0.52 C ATOM 1466 C ILE A 399 -12.948 12.342 2.827 1.00 0.59 C ATOM 1467 O ILE A 399 -13.433 13.204 2.089 1.00 0.72 O ATOM 1468 CB ILE A 399 -10.545 11.883 2.245 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -9.104 11.886 2.766 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -10.643 12.694 0.958 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -8.109 11.254 1.817 1.00 0.48 C ATOM 0 H ILE A 399 -10.786 10.890 4.522 1.00 0.50 H new ATOM 0 HA ILE A 399 -11.262 13.496 3.490 1.00 0.52 H new ATOM 0 HB ILE A 399 -10.838 10.856 2.027 1.00 0.47 H new ATOM 0 HG12 ILE A 399 -8.801 12.914 2.963 1.00 0.47 H new ATOM 0 HG13 ILE A 399 -9.071 11.356 3.718 1.00 0.47 H new ATOM 0 HG21 ILE A 399 -9.961 12.281 0.215 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -11.663 12.651 0.577 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -10.375 13.731 1.160 1.00 0.50 H new ATOM 0 HD11 ILE A 399 -7.112 11.294 2.256 1.00 0.48 H new ATOM 0 HD12 ILE A 399 -8.386 10.215 1.639 1.00 0.48 H new ATOM 0 HD13 ILE A 399 -8.112 11.797 0.872 1.00 0.48 H new ATOM 1603 N TRP B 374 -10.707 -8.209 0.108 1.00 1.08 N ATOM 1604 CA TRP B 374 -10.517 -7.293 -1.003 1.00 0.61 C ATOM 1605 C TRP B 374 -11.297 -6.025 -0.745 1.00 0.55 C ATOM 1606 O TRP B 374 -12.523 -5.990 -0.875 1.00 0.90 O ATOM 1607 CB TRP B 374 -10.939 -7.936 -2.326 1.00 0.88 C ATOM 1608 CG TRP B 374 -9.961 -8.959 -2.822 1.00 0.97 C ATOM 1609 CD1 TRP B 374 -9.921 -10.282 -2.485 1.00 1.38 C ATOM 1610 CD2 TRP B 374 -8.878 -8.745 -3.740 1.00 0.81 C ATOM 1611 NE1 TRP B 374 -8.882 -10.903 -3.136 1.00 1.42 N ATOM 1612 CE2 TRP B 374 -8.228 -9.983 -3.912 1.00 1.02 C ATOM 1613 CE3 TRP B 374 -8.392 -7.629 -4.436 1.00 0.85 C ATOM 1614 CZ2 TRP B 374 -7.125 -10.136 -4.747 1.00 0.98 C ATOM 1615 CZ3 TRP B 374 -7.296 -7.786 -5.263 1.00 0.97 C ATOM 1616 CH2 TRP B 374 -6.674 -9.030 -5.412 1.00 0.88 C ATOM 0 HA TRP B 374 -9.458 -7.050 -1.085 1.00 0.61 H new ATOM 0 HB2 TRP B 374 -11.914 -8.406 -2.200 1.00 0.88 H new ATOM 0 HB3 TRP B 374 -11.055 -7.158 -3.080 1.00 0.88 H new ATOM 0 HD1 TRP B 374 -10.606 -10.769 -1.806 1.00 1.38 H new ATOM 0 HE1 TRP B 374 -8.637 -11.890 -3.054 1.00 1.42 H new ATOM 0 HE3 TRP B 374 -8.866 -6.664 -4.328 1.00 0.85 H new ATOM 0 HZ2 TRP B 374 -6.642 -11.095 -4.865 1.00 0.98 H new ATOM 0 HZ3 TRP B 374 -6.913 -6.933 -5.804 1.00 0.97 H new ATOM 0 HH2 TRP B 374 -5.819 -9.119 -6.066 1.00 0.88 H new ATOM 1627 N VAL B 375 -10.573 -4.986 -0.380 1.00 0.40 N ATOM 1628 CA VAL B 375 -11.193 -3.753 0.070 1.00 0.38 C ATOM 1629 C VAL B 375 -11.142 -2.703 -1.029 1.00 0.44 C ATOM 1630 O VAL B 375 -10.084 -2.145 -1.320 1.00 0.53 O ATOM 1631 CB VAL B 375 -10.515 -3.179 1.338 1.00 0.48 C ATOM 1632 CG1 VAL B 375 -11.338 -2.020 1.892 1.00 0.84 C ATOM 1633 CG2 VAL B 375 -10.315 -4.250 2.412 1.00 1.07 C ATOM 0 H VAL B 375 -9.553 -4.970 -0.386 1.00 0.40 H new ATOM 0 HA VAL B 375 -12.227 -3.997 0.316 1.00 0.38 H new ATOM 0 HB VAL B 375 -9.528 -2.816 1.051 1.00 0.48 H new ATOM 0 HG11 VAL B 375 -10.853 -1.623 2.784 1.00 0.84 H new ATOM 0 HG12 VAL B 375 -11.413 -1.235 1.140 1.00 0.84 H new ATOM 0 HG13 VAL B 375 -12.337 -2.373 2.149 1.00 0.84 H new ATOM 0 HG21 VAL B 375 -9.836 -3.805 3.285 1.00 1.07 H new ATOM 0 HG22 VAL B 375 -11.282 -4.662 2.699 1.00 1.07 H new ATOM 0 HG23 VAL B 375 -9.684 -5.047 2.018 1.00 1.07 H new ATOM 1643 N GLU B 376 -12.281 -2.458 -1.653 1.00 0.51 N ATOM 1644 CA GLU B 376 -12.385 -1.432 -2.675 1.00 0.63 C ATOM 1645 C GLU B 376 -13.009 -0.187 -2.076 1.00 0.52 C ATOM 1646 O GLU B 376 -13.973 -0.267 -1.310 1.00 0.61 O ATOM 1647 CB GLU B 376 -13.194 -1.959 -3.864 1.00 0.86 C ATOM 1648 CG GLU B 376 -13.314 -0.994 -5.031 1.00 1.43 C ATOM 1649 CD GLU B 376 -13.911 -1.660 -6.251 1.00 1.69 C ATOM 1650 OE1 GLU B 376 -15.115 -1.982 -6.232 1.00 2.28 O ATOM 1651 OE2 GLU B 376 -13.173 -1.892 -7.229 1.00 2.06 O ATOM 0 H GLU B 376 -13.150 -2.958 -1.468 1.00 0.51 H new ATOM 0 HA GLU B 376 -11.393 -1.170 -3.044 1.00 0.63 H new ATOM 0 HB2 GLU B 376 -12.733 -2.881 -4.219 1.00 0.86 H new ATOM 0 HB3 GLU B 376 -14.195 -2.216 -3.519 1.00 0.86 H new ATOM 0 HG2 GLU B 376 -13.934 -0.146 -4.740 1.00 1.43 H new ATOM 0 HG3 GLU B 376 -12.329 -0.598 -5.278 1.00 1.43 H new ATOM 1658 N ASN B 377 -12.452 0.958 -2.419 1.00 0.54 N ATOM 1659 CA ASN B 377 -12.795 2.198 -1.743 1.00 0.58 C ATOM 1660 C ASN B 377 -13.567 3.131 -2.678 1.00 0.50 C ATOM 1661 O ASN B 377 -13.789 2.801 -3.843 1.00 0.65 O ATOM 1662 CB ASN B 377 -11.527 2.865 -1.216 1.00 0.83 C ATOM 1663 CG ASN B 377 -10.958 3.878 -2.176 1.00 0.88 C ATOM 1664 OD1 ASN B 377 -11.114 5.068 -1.977 1.00 1.83 O ATOM 1665 ND2 ASN B 377 -10.371 3.410 -3.254 1.00 1.23 N ATOM 0 H ASN B 377 -11.760 1.057 -3.162 1.00 0.54 H new ATOM 0 HA ASN B 377 -13.445 1.974 -0.897 1.00 0.58 H new ATOM 0 HB2 ASN B 377 -11.747 3.354 -0.267 1.00 0.83 H new ATOM 0 HB3 ASN B 377 -10.777 2.101 -1.015 1.00 0.83 H new ATOM 0 HD21 ASN B 377 -10.024 4.053 -3.966 1.00 1.23 H new ATOM 0 HD22 ASN B 377 -10.262 2.404 -3.379 1.00 1.23 H new ATOM 1672 N GLU B 378 -13.950 4.305 -2.177 1.00 0.43 N ATOM 1673 CA GLU B 378 -14.892 5.159 -2.893 1.00 0.51 C ATOM 1674 C GLU B 378 -14.270 6.450 -3.413 1.00 0.44 C ATOM 1675 O GLU B 378 -14.985 7.348 -3.862 1.00 0.53 O ATOM 1676 CB GLU B 378 -16.064 5.499 -1.978 1.00 0.71 C ATOM 1677 CG GLU B 378 -16.671 4.293 -1.289 1.00 0.87 C ATOM 1678 CD GLU B 378 -17.619 3.515 -2.176 1.00 1.05 C ATOM 1679 OE1 GLU B 378 -17.139 2.662 -2.954 1.00 1.88 O ATOM 1680 OE2 GLU B 378 -18.835 3.766 -2.118 1.00 1.39 O ATOM 0 H GLU B 378 -13.625 4.682 -1.287 1.00 0.43 H new ATOM 0 HA GLU B 378 -15.224 4.595 -3.765 1.00 0.51 H new ATOM 0 HB2 GLU B 378 -15.728 6.208 -1.221 1.00 0.71 H new ATOM 0 HB3 GLU B 378 -16.836 5.999 -2.563 1.00 0.71 H new ATOM 0 HG2 GLU B 378 -15.871 3.632 -0.955 1.00 0.87 H new ATOM 0 HG3 GLU B 378 -17.205 4.622 -0.398 1.00 0.87 H new ATOM 1687 N ILE B 379 -12.959 6.548 -3.372 1.00 0.36 N ATOM 1688 CA ILE B 379 -12.289 7.746 -3.892 1.00 0.38 C ATOM 1689 C ILE B 379 -11.362 7.431 -5.053 1.00 0.48 C ATOM 1690 O ILE B 379 -10.458 8.204 -5.353 1.00 1.17 O ATOM 1691 CB ILE B 379 -11.490 8.549 -2.829 1.00 0.38 C ATOM 1692 CG1 ILE B 379 -10.321 7.733 -2.240 1.00 0.37 C ATOM 1693 CG2 ILE B 379 -12.416 9.037 -1.717 1.00 0.43 C ATOM 1694 CD1 ILE B 379 -9.572 8.453 -1.123 1.00 0.44 C ATOM 0 H ILE B 379 -12.336 5.834 -2.994 1.00 0.36 H new ATOM 0 HA ILE B 379 -13.115 8.372 -4.231 1.00 0.38 H new ATOM 0 HB ILE B 379 -11.059 9.413 -3.335 1.00 0.38 H new ATOM 0 HG12 ILE B 379 -10.706 6.788 -1.857 1.00 0.37 H new ATOM 0 HG13 ILE B 379 -9.620 7.491 -3.039 1.00 0.37 H new ATOM 0 HG21 ILE B 379 -11.838 9.597 -0.982 1.00 0.43 H new ATOM 0 HG22 ILE B 379 -13.186 9.682 -2.141 1.00 0.43 H new ATOM 0 HG23 ILE B 379 -12.886 8.181 -1.233 1.00 0.43 H new ATOM 0 HD11 ILE B 379 -8.764 7.818 -0.758 1.00 0.44 H new ATOM 0 HD12 ILE B 379 -9.156 9.385 -1.506 1.00 0.44 H new ATOM 0 HD13 ILE B 379 -10.259 8.671 -0.306 1.00 0.44 H new ATOM 1706 N TYR B 380 -11.592 6.317 -5.725 1.00 0.45 N ATOM 1707 CA TYR B 380 -10.828 6.019 -6.924 1.00 0.42 C ATOM 1708 C TYR B 380 -11.398 6.813 -8.094 1.00 0.46 C ATOM 1709 O TYR B 380 -12.473 6.497 -8.605 1.00 0.58 O ATOM 1710 CB TYR B 380 -10.837 4.521 -7.244 1.00 0.48 C ATOM 1711 CG TYR B 380 -9.967 4.165 -8.431 1.00 0.45 C ATOM 1712 CD1 TYR B 380 -8.588 4.318 -8.374 1.00 0.49 C ATOM 1713 CD2 TYR B 380 -10.522 3.679 -9.607 1.00 0.54 C ATOM 1714 CE1 TYR B 380 -7.788 3.997 -9.451 1.00 0.51 C ATOM 1715 CE2 TYR B 380 -9.727 3.355 -10.690 1.00 0.54 C ATOM 1716 CZ TYR B 380 -8.362 3.518 -10.606 1.00 0.47 C ATOM 1717 OH TYR B 380 -7.565 3.193 -11.681 1.00 0.52 O ATOM 0 H TYR B 380 -12.287 5.616 -5.468 1.00 0.45 H new ATOM 0 HA TYR B 380 -9.791 6.307 -6.751 1.00 0.42 H new ATOM 0 HB2 TYR B 380 -10.495 3.966 -6.370 1.00 0.48 H new ATOM 0 HB3 TYR B 380 -11.861 4.203 -7.442 1.00 0.48 H new ATOM 0 HD1 TYR B 380 -8.133 4.695 -7.470 1.00 0.49 H new ATOM 0 HD2 TYR B 380 -11.592 3.552 -9.677 1.00 0.54 H new ATOM 0 HE1 TYR B 380 -6.717 4.121 -9.388 1.00 0.51 H new ATOM 0 HE2 TYR B 380 -10.174 2.976 -11.597 1.00 0.54 H new ATOM 0 HH TYR B 380 -6.669 2.956 -11.364 1.00 0.52 H new ATOM 1727 N TYR B 381 -10.699 7.869 -8.482 1.00 0.55 N ATOM 1728 CA TYR B 381 -11.140 8.732 -9.551 1.00 0.70 C ATOM 1729 C TYR B 381 -10.821 8.120 -10.907 1.00 0.79 C ATOM 1730 O TYR B 381 -11.727 7.527 -11.525 1.00 1.31 O ATOM 1731 CB TYR B 381 -10.462 10.090 -9.412 1.00 1.01 C ATOM 1732 CG TYR B 381 -11.080 10.995 -8.366 1.00 1.28 C ATOM 1733 CD1 TYR B 381 -11.365 10.518 -7.095 1.00 1.73 C ATOM 1734 CD2 TYR B 381 -11.395 12.315 -8.652 1.00 1.66 C ATOM 1735 CE1 TYR B 381 -11.942 11.333 -6.140 1.00 2.35 C ATOM 1736 CE2 TYR B 381 -11.975 13.135 -7.705 1.00 2.20 C ATOM 1737 CZ TYR B 381 -12.183 12.672 -6.440 1.00 2.50 C ATOM 1738 OH TYR B 381 -12.827 13.450 -5.501 1.00 3.20 O ATOM 1739 OXT TYR B 381 -9.663 8.233 -11.351 1.00 1.47 O ATOM 0 H TYR B 381 -9.812 8.146 -8.061 1.00 0.55 H new ATOM 0 HA TYR B 381 -12.221 8.855 -9.484 1.00 0.70 H new ATOM 0 HB2 TYR B 381 -9.412 9.934 -9.165 1.00 1.01 H new ATOM 0 HB3 TYR B 381 -10.491 10.597 -10.376 1.00 1.01 H new ATOM 0 HD1 TYR B 381 -11.132 9.493 -6.848 1.00 1.73 H new ATOM 0 HD2 TYR B 381 -11.182 12.709 -9.635 1.00 1.66 H new ATOM 0 HE1 TYR B 381 -12.204 10.936 -5.170 1.00 2.35 H new ATOM 0 HE2 TYR B 381 -12.264 14.142 -7.966 1.00 2.20 H new ATOM 0 HH TYR B 381 -12.927 14.362 -5.845 1.00 3.20 H new