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 352 SER OG : rot -119:sc= 1.06 USER MOD Set 1.2: A 354 THR OG1 : rot 71:sc= 0.996 USER MOD Set 1.3: A 355 ASN : amide:sc= -1.32 X(o=0.73,f=0.65) USER MOD Single : A 311 SER OG : rot 35:sc= 0.246 USER MOD Single : A 316 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0817) USER MOD Single : A 333 THR OG1 : rot -48:sc= 1.42 USER MOD Single : A 334 LYS NZ :NH3+ -160:sc= 1.31 (180deg=1.16) USER MOD Single : A 336 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 338 MET CE :methyl 156:sc= -0.138 (180deg=-0.629) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 344 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 345 LYS NZ :NH3+ 164:sc= -0.0195 (180deg=-0.255) USER MOD Single : A 349 GLN : amide:sc= 0.943 K(o=0.94,f=-6!) USER MOD Single : A 357 LYS NZ :NH3+ 154:sc= -0.124 (180deg=-0.564) USER MOD Single : A 362 SER OG : rot -27:sc= 1.6 USER MOD Single : A 364 LYS NZ :NH3+ 169:sc= -0.0152 (180deg=-0.153) USER MOD Single : A 365 SER OG : rot 180:sc= -0.113 USER MOD Single : A 367 THR OG1 : rot 180:sc= 0 USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 374 GLN : amide:sc= -1! C(o=-1!,f=-1.9!) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 TYR OH : rot 0:sc= 1.23 USER MOD Single : A 379 SER OG : rot 43:sc= 0.0097 USER MOD Single : A 381 GLN : amide:sc= -0.282 K(o=-0.28,f=-3.4!) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0.306 USER MOD Single : A 383 THR OG1 : rot 180:sc= 0.00688 USER MOD Single : A 387 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 390 GLN : amide:sc=-0.000264 K(o=-0.00026,f=-0.9) USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : B 377 ASN : amide:sc= -1.16 K(o=-1.2,f=-7.9!) USER MOD Single : B 380 TYR OH : rot 180:sc= 1.06 USER MOD Single : B 381 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N SER A 311 3.026 6.729 9.098 1.00 0.71 N ATOM 27 CA SER A 311 3.352 5.406 9.593 1.00 0.41 C ATOM 28 C SER A 311 4.188 4.657 8.566 1.00 0.34 C ATOM 29 O SER A 311 3.801 4.550 7.404 1.00 0.47 O ATOM 30 CB SER A 311 2.066 4.647 9.902 1.00 0.59 C ATOM 31 OG SER A 311 1.194 5.445 10.687 1.00 1.06 O ATOM 0 HA SER A 311 3.936 5.493 10.509 1.00 0.41 H new ATOM 0 HB2 SER A 311 1.572 4.364 8.973 1.00 0.59 H new ATOM 0 HB3 SER A 311 2.300 3.724 10.432 1.00 0.59 H new ATOM 0 HG SER A 311 1.280 6.384 10.419 1.00 1.06 H new ATOM 37 N PHE A 312 5.336 4.156 8.988 1.00 0.29 N ATOM 38 CA PHE A 312 6.233 3.457 8.084 1.00 0.27 C ATOM 39 C PHE A 312 6.228 1.966 8.373 1.00 0.26 C ATOM 40 O PHE A 312 6.552 1.532 9.479 1.00 0.34 O ATOM 41 CB PHE A 312 7.653 4.009 8.209 1.00 0.31 C ATOM 42 CG PHE A 312 7.809 5.387 7.633 1.00 0.34 C ATOM 43 CD1 PHE A 312 7.508 6.511 8.387 1.00 0.45 C ATOM 44 CD2 PHE A 312 8.253 5.557 6.332 1.00 0.33 C ATOM 45 CE1 PHE A 312 7.647 7.777 7.854 1.00 0.52 C ATOM 46 CE2 PHE A 312 8.395 6.820 5.795 1.00 0.38 C ATOM 47 CZ PHE A 312 8.090 7.932 6.556 1.00 0.47 C ATOM 0 H PHE A 312 5.669 4.220 9.950 1.00 0.29 H new ATOM 0 HA PHE A 312 5.882 3.616 7.064 1.00 0.27 H new ATOM 0 HB2 PHE A 312 7.936 4.029 9.261 1.00 0.31 H new ATOM 0 HB3 PHE A 312 8.344 3.332 7.706 1.00 0.31 H new ATOM 0 HD1 PHE A 312 7.161 6.395 9.403 1.00 0.45 H new ATOM 0 HD2 PHE A 312 8.491 4.691 5.731 1.00 0.33 H new ATOM 0 HE1 PHE A 312 7.409 8.645 8.452 1.00 0.52 H new ATOM 0 HE2 PHE A 312 8.744 6.939 4.780 1.00 0.38 H new ATOM 0 HZ PHE A 312 8.198 8.921 6.136 1.00 0.47 H new ATOM 57 N PHE A 313 5.871 1.187 7.371 1.00 0.24 N ATOM 58 CA PHE A 313 5.828 -0.257 7.507 1.00 0.26 C ATOM 59 C PHE A 313 6.968 -0.888 6.727 1.00 0.26 C ATOM 60 O PHE A 313 7.141 -0.620 5.537 1.00 0.26 O ATOM 61 CB PHE A 313 4.484 -0.798 7.016 1.00 0.28 C ATOM 62 CG PHE A 313 3.305 -0.271 7.786 1.00 0.30 C ATOM 63 CD1 PHE A 313 2.874 -0.904 8.939 1.00 0.34 C ATOM 64 CD2 PHE A 313 2.631 0.861 7.356 1.00 0.32 C ATOM 65 CE1 PHE A 313 1.790 -0.421 9.648 1.00 0.40 C ATOM 66 CE2 PHE A 313 1.546 1.349 8.059 1.00 0.37 C ATOM 67 CZ PHE A 313 1.125 0.707 9.208 1.00 0.41 C ATOM 0 H PHE A 313 5.605 1.532 6.449 1.00 0.24 H new ATOM 0 HA PHE A 313 5.940 -0.513 8.561 1.00 0.26 H new ATOM 0 HB2 PHE A 313 4.362 -0.544 5.963 1.00 0.28 H new ATOM 0 HB3 PHE A 313 4.494 -1.886 7.082 1.00 0.28 H new ATOM 0 HD1 PHE A 313 3.391 -1.786 9.289 1.00 0.34 H new ATOM 0 HD2 PHE A 313 2.958 1.368 6.460 1.00 0.32 H new ATOM 0 HE1 PHE A 313 1.463 -0.925 10.545 1.00 0.40 H new ATOM 0 HE2 PHE A 313 1.028 2.231 7.711 1.00 0.37 H new ATOM 0 HZ PHE A 313 0.278 1.086 9.761 1.00 0.41 H new ATOM 77 N LEU A 314 7.757 -1.703 7.406 1.00 0.36 N ATOM 78 CA LEU A 314 8.868 -2.384 6.769 1.00 0.38 C ATOM 79 C LEU A 314 8.354 -3.581 5.979 1.00 0.37 C ATOM 80 O LEU A 314 8.112 -4.659 6.532 1.00 0.50 O ATOM 81 CB LEU A 314 9.897 -2.824 7.813 1.00 0.51 C ATOM 82 CG LEU A 314 11.163 -3.472 7.252 1.00 0.57 C ATOM 83 CD1 LEU A 314 11.865 -2.530 6.285 1.00 0.54 C ATOM 84 CD2 LEU A 314 12.097 -3.866 8.384 1.00 0.72 C ATOM 0 H LEU A 314 7.648 -1.908 8.399 1.00 0.36 H new ATOM 0 HA LEU A 314 9.360 -1.696 6.082 1.00 0.38 H new ATOM 0 HB2 LEU A 314 10.185 -1.954 8.404 1.00 0.51 H new ATOM 0 HB3 LEU A 314 9.420 -3.528 8.495 1.00 0.51 H new ATOM 0 HG LEU A 314 10.879 -4.371 6.705 1.00 0.57 H new ATOM 0 HD11 LEU A 314 12.763 -3.010 5.897 1.00 0.54 H new ATOM 0 HD12 LEU A 314 11.195 -2.292 5.459 1.00 0.54 H new ATOM 0 HD13 LEU A 314 12.140 -1.613 6.806 1.00 0.54 H new ATOM 0 HD21 LEU A 314 12.995 -4.326 7.971 1.00 0.72 H new ATOM 0 HD22 LEU A 314 12.373 -2.979 8.953 1.00 0.72 H new ATOM 0 HD23 LEU A 314 11.594 -4.576 9.040 1.00 0.72 H new ATOM 96 N VAL A 315 8.149 -3.368 4.690 1.00 0.26 N ATOM 97 CA VAL A 315 7.596 -4.390 3.821 1.00 0.26 C ATOM 98 C VAL A 315 8.688 -5.001 2.959 1.00 0.24 C ATOM 99 O VAL A 315 9.774 -4.440 2.831 1.00 0.27 O ATOM 100 CB VAL A 315 6.481 -3.822 2.917 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.318 -3.314 3.757 1.00 0.30 C ATOM 102 CG2 VAL A 315 7.019 -2.712 2.021 1.00 0.23 C ATOM 0 H VAL A 315 8.360 -2.488 4.220 1.00 0.26 H new ATOM 0 HA VAL A 315 7.162 -5.161 4.458 1.00 0.26 H new ATOM 0 HB VAL A 315 6.120 -4.628 2.278 1.00 0.26 H new ATOM 0 HG11 VAL A 315 4.542 -2.917 3.102 1.00 0.30 H new ATOM 0 HG12 VAL A 315 4.910 -4.134 4.348 1.00 0.30 H new ATOM 0 HG13 VAL A 315 5.668 -2.526 4.424 1.00 0.30 H new ATOM 0 HG21 VAL A 315 6.214 -2.328 1.394 1.00 0.23 H new ATOM 0 HG22 VAL A 315 7.414 -1.905 2.638 1.00 0.23 H new ATOM 0 HG23 VAL A 315 7.814 -3.108 1.389 1.00 0.23 H new ATOM 112 N LYS A 316 8.405 -6.158 2.387 1.00 0.25 N ATOM 113 CA LYS A 316 9.355 -6.828 1.517 1.00 0.28 C ATOM 114 C LYS A 316 8.841 -6.829 0.083 1.00 0.28 C ATOM 115 O LYS A 316 7.914 -7.570 -0.251 1.00 0.28 O ATOM 116 CB LYS A 316 9.585 -8.263 2.002 1.00 0.34 C ATOM 117 CG LYS A 316 9.959 -8.355 3.474 1.00 0.44 C ATOM 118 CD LYS A 316 9.982 -9.795 3.961 1.00 0.55 C ATOM 119 CE LYS A 316 11.186 -10.562 3.436 1.00 0.67 C ATOM 120 NZ LYS A 316 12.454 -10.118 4.072 1.00 1.44 N ATOM 0 H LYS A 316 7.522 -6.654 2.510 1.00 0.25 H new ATOM 0 HA LYS A 316 10.303 -6.292 1.546 1.00 0.28 H new ATOM 0 HB2 LYS A 316 8.680 -8.846 1.828 1.00 0.34 H new ATOM 0 HB3 LYS A 316 10.376 -8.717 1.405 1.00 0.34 H new ATOM 0 HG2 LYS A 316 10.939 -7.903 3.629 1.00 0.44 H new ATOM 0 HG3 LYS A 316 9.246 -7.782 4.067 1.00 0.44 H new ATOM 0 HD2 LYS A 316 9.993 -9.808 5.051 1.00 0.55 H new ATOM 0 HD3 LYS A 316 9.068 -10.298 3.645 1.00 0.55 H new ATOM 0 HE2 LYS A 316 11.044 -11.627 3.618 1.00 0.67 H new ATOM 0 HE3 LYS A 316 11.257 -10.429 2.356 1.00 0.67 H new ATOM 0 HZ1 LYS A 316 13.216 -10.783 3.829 1.00 1.44 H new ATOM 0 HZ2 LYS A 316 12.701 -9.168 3.728 1.00 1.44 H new ATOM 0 HZ3 LYS A 316 12.334 -10.092 5.105 1.00 1.44 H new ATOM 134 N GLU A 317 9.426 -5.979 -0.752 1.00 0.32 N ATOM 135 CA GLU A 317 9.027 -5.874 -2.149 1.00 0.37 C ATOM 136 C GLU A 317 9.606 -7.026 -2.955 1.00 0.45 C ATOM 137 O GLU A 317 10.823 -7.225 -2.988 1.00 0.48 O ATOM 138 CB GLU A 317 9.498 -4.548 -2.758 1.00 0.39 C ATOM 139 CG GLU A 317 9.018 -3.311 -2.016 1.00 0.41 C ATOM 140 CD GLU A 317 9.412 -2.027 -2.721 1.00 0.49 C ATOM 141 OE1 GLU A 317 10.593 -1.890 -3.108 1.00 0.70 O ATOM 142 OE2 GLU A 317 8.547 -1.141 -2.887 1.00 0.61 O ATOM 0 H GLU A 317 10.182 -5.350 -0.483 1.00 0.32 H new ATOM 0 HA GLU A 317 7.938 -5.914 -2.185 1.00 0.37 H new ATOM 0 HB2 GLU A 317 10.588 -4.541 -2.784 1.00 0.39 H new ATOM 0 HB3 GLU A 317 9.154 -4.494 -3.791 1.00 0.39 H new ATOM 0 HG2 GLU A 317 7.933 -3.349 -1.915 1.00 0.41 H new ATOM 0 HG3 GLU A 317 9.433 -3.311 -1.008 1.00 0.41 H new ATOM 275 N LEU A 325 13.467 -10.836 -1.614 1.00 0.61 N ATOM 276 CA LEU A 325 12.613 -9.664 -1.515 1.00 0.49 C ATOM 277 C LEU A 325 13.404 -8.497 -0.940 1.00 0.45 C ATOM 278 O LEU A 325 14.341 -8.697 -0.167 1.00 0.55 O ATOM 279 CB LEU A 325 11.378 -9.950 -0.648 1.00 0.47 C ATOM 280 CG LEU A 325 10.424 -11.030 -1.180 1.00 0.53 C ATOM 281 CD1 LEU A 325 10.946 -12.427 -0.875 1.00 0.69 C ATOM 282 CD2 LEU A 325 9.034 -10.844 -0.597 1.00 0.56 C ATOM 0 HA LEU A 325 12.266 -9.405 -2.515 1.00 0.49 H new ATOM 0 HB2 LEU A 325 11.715 -10.247 0.345 1.00 0.47 H new ATOM 0 HB3 LEU A 325 10.817 -9.023 -0.530 1.00 0.47 H new ATOM 0 HG LEU A 325 10.367 -10.923 -2.263 1.00 0.53 H new ATOM 0 HD11 LEU A 325 10.249 -13.169 -1.264 1.00 0.69 H new ATOM 0 HD12 LEU A 325 11.920 -12.562 -1.346 1.00 0.69 H new ATOM 0 HD13 LEU A 325 11.044 -12.551 0.203 1.00 0.69 H new ATOM 0 HD21 LEU A 325 8.371 -11.617 -0.984 1.00 0.56 H new ATOM 0 HD22 LEU A 325 9.082 -10.918 0.489 1.00 0.56 H new ATOM 0 HD23 LEU A 325 8.650 -9.863 -0.877 1.00 0.56 H new ATOM 294 N VAL A 326 13.033 -7.288 -1.324 1.00 0.40 N ATOM 295 CA VAL A 326 13.748 -6.096 -0.886 1.00 0.38 C ATOM 296 C VAL A 326 12.943 -5.344 0.169 1.00 0.32 C ATOM 297 O VAL A 326 11.815 -4.924 -0.088 1.00 0.29 O ATOM 298 CB VAL A 326 14.040 -5.147 -2.068 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.950 -4.008 -1.634 1.00 0.45 C ATOM 300 CG2 VAL A 326 14.650 -5.912 -3.233 1.00 0.51 C ATOM 0 H VAL A 326 12.240 -7.103 -1.939 1.00 0.40 H new ATOM 0 HA VAL A 326 14.694 -6.427 -0.458 1.00 0.38 H new ATOM 0 HB VAL A 326 13.095 -4.717 -2.401 1.00 0.42 H new ATOM 0 HG11 VAL A 326 15.142 -3.352 -2.483 1.00 0.45 H new ATOM 0 HG12 VAL A 326 14.468 -3.440 -0.838 1.00 0.45 H new ATOM 0 HG13 VAL A 326 15.893 -4.415 -1.269 1.00 0.45 H new ATOM 0 HG21 VAL A 326 14.848 -5.225 -4.056 1.00 0.51 H new ATOM 0 HG22 VAL A 326 15.584 -6.376 -2.915 1.00 0.51 H new ATOM 0 HG23 VAL A 326 13.956 -6.684 -3.565 1.00 0.51 H new ATOM 310 N PRO A 327 13.500 -5.189 1.379 1.00 0.33 N ATOM 311 CA PRO A 327 12.854 -4.438 2.459 1.00 0.30 C ATOM 312 C PRO A 327 12.724 -2.954 2.123 1.00 0.25 C ATOM 313 O PRO A 327 13.701 -2.298 1.754 1.00 0.32 O ATOM 314 CB PRO A 327 13.791 -4.639 3.660 1.00 0.39 C ATOM 315 CG PRO A 327 14.650 -5.800 3.292 1.00 0.46 C ATOM 316 CD PRO A 327 14.795 -5.738 1.801 1.00 0.42 C ATOM 0 HA PRO A 327 11.837 -4.784 2.644 1.00 0.30 H new ATOM 0 HB2 PRO A 327 14.391 -3.748 3.846 1.00 0.39 H new ATOM 0 HB3 PRO A 327 13.227 -4.839 4.571 1.00 0.39 H new ATOM 0 HG2 PRO A 327 15.621 -5.740 3.783 1.00 0.46 H new ATOM 0 HG3 PRO A 327 14.193 -6.740 3.603 1.00 0.46 H new ATOM 0 HD2 PRO A 327 15.625 -5.098 1.500 1.00 0.42 H new ATOM 0 HD3 PRO A 327 14.979 -6.722 1.370 1.00 0.42 H new ATOM 324 N ARG A 328 11.514 -2.434 2.246 1.00 0.21 N ATOM 325 CA ARG A 328 11.249 -1.039 1.948 1.00 0.23 C ATOM 326 C ARG A 328 10.383 -0.432 3.046 1.00 0.20 C ATOM 327 O ARG A 328 9.653 -1.148 3.734 1.00 0.23 O ATOM 328 CB ARG A 328 10.537 -0.913 0.599 1.00 0.32 C ATOM 329 CG ARG A 328 10.734 0.436 -0.074 1.00 0.50 C ATOM 330 CD ARG A 328 12.122 0.550 -0.688 1.00 0.56 C ATOM 331 NE ARG A 328 12.296 -0.386 -1.796 1.00 0.47 N ATOM 332 CZ ARG A 328 13.448 -0.631 -2.415 1.00 0.58 C ATOM 333 NH1 ARG A 328 14.573 -0.040 -2.027 1.00 0.78 N ATOM 334 NH2 ARG A 328 13.470 -1.484 -3.430 1.00 0.65 N ATOM 0 H ARG A 328 10.696 -2.962 2.552 1.00 0.21 H new ATOM 0 HA ARG A 328 12.197 -0.503 1.899 1.00 0.23 H new ATOM 0 HB2 ARG A 328 10.898 -1.697 -0.067 1.00 0.32 H new ATOM 0 HB3 ARG A 328 9.470 -1.084 0.744 1.00 0.32 H new ATOM 0 HG2 ARG A 328 9.979 0.572 -0.848 1.00 0.50 H new ATOM 0 HG3 ARG A 328 10.590 1.233 0.655 1.00 0.50 H new ATOM 0 HD2 ARG A 328 12.282 1.568 -1.042 1.00 0.56 H new ATOM 0 HD3 ARG A 328 12.876 0.356 0.075 1.00 0.56 H new ATOM 0 HE ARG A 328 11.471 -0.891 -2.120 1.00 0.47 H new ATOM 0 HH11 ARG A 328 14.562 0.613 -1.243 1.00 0.78 H new ATOM 0 HH12 ARG A 328 15.448 -0.239 -2.513 1.00 0.78 H new ATOM 0 HH21 ARG A 328 12.610 -1.944 -3.728 1.00 0.65 H new ATOM 0 HH22 ARG A 328 14.347 -1.680 -3.913 1.00 0.65 H new ATOM 348 N LEU A 329 10.466 0.878 3.209 1.00 0.18 N ATOM 349 CA LEU A 329 9.661 1.580 4.195 1.00 0.20 C ATOM 350 C LEU A 329 8.413 2.151 3.540 1.00 0.19 C ATOM 351 O LEU A 329 8.471 3.166 2.848 1.00 0.24 O ATOM 352 CB LEU A 329 10.472 2.705 4.845 1.00 0.25 C ATOM 353 CG LEU A 329 11.663 2.245 5.684 1.00 0.31 C ATOM 354 CD1 LEU A 329 12.434 3.443 6.214 1.00 0.37 C ATOM 355 CD2 LEU A 329 11.191 1.365 6.829 1.00 0.36 C ATOM 0 H LEU A 329 11.087 1.480 2.668 1.00 0.18 H new ATOM 0 HA LEU A 329 9.364 0.872 4.968 1.00 0.20 H new ATOM 0 HB2 LEU A 329 10.835 3.370 4.061 1.00 0.25 H new ATOM 0 HB3 LEU A 329 9.807 3.292 5.478 1.00 0.25 H new ATOM 0 HG LEU A 329 12.331 1.661 5.051 1.00 0.31 H new ATOM 0 HD11 LEU A 329 13.279 3.097 6.809 1.00 0.37 H new ATOM 0 HD12 LEU A 329 12.799 4.040 5.378 1.00 0.37 H new ATOM 0 HD13 LEU A 329 11.778 4.052 6.835 1.00 0.37 H new ATOM 0 HD21 LEU A 329 12.049 1.044 7.419 1.00 0.36 H new ATOM 0 HD22 LEU A 329 10.506 1.928 7.462 1.00 0.36 H new ATOM 0 HD23 LEU A 329 10.679 0.490 6.428 1.00 0.36 H new ATOM 367 N LEU A 330 7.292 1.482 3.734 1.00 0.17 N ATOM 368 CA LEU A 330 6.038 1.943 3.171 1.00 0.17 C ATOM 369 C LEU A 330 5.428 3.002 4.079 1.00 0.18 C ATOM 370 O LEU A 330 4.904 2.691 5.149 1.00 0.24 O ATOM 371 CB LEU A 330 5.070 0.770 2.988 1.00 0.22 C ATOM 372 CG LEU A 330 3.811 1.087 2.180 1.00 0.26 C ATOM 373 CD1 LEU A 330 4.180 1.508 0.766 1.00 0.57 C ATOM 374 CD2 LEU A 330 2.881 -0.115 2.152 1.00 0.49 C ATOM 0 H LEU A 330 7.224 0.620 4.275 1.00 0.17 H new ATOM 0 HA LEU A 330 6.228 2.382 2.192 1.00 0.17 H new ATOM 0 HB2 LEU A 330 5.601 -0.046 2.498 1.00 0.22 H new ATOM 0 HB3 LEU A 330 4.770 0.410 3.972 1.00 0.22 H new ATOM 0 HG LEU A 330 3.290 1.914 2.662 1.00 0.26 H new ATOM 0 HD11 LEU A 330 3.273 1.730 0.204 1.00 0.57 H new ATOM 0 HD12 LEU A 330 4.810 2.397 0.804 1.00 0.57 H new ATOM 0 HD13 LEU A 330 4.722 0.699 0.275 1.00 0.57 H new ATOM 0 HD21 LEU A 330 1.990 0.128 1.573 1.00 0.49 H new ATOM 0 HD22 LEU A 330 3.393 -0.961 1.693 1.00 0.49 H new ATOM 0 HD23 LEU A 330 2.592 -0.375 3.170 1.00 0.49 H new ATOM 386 N GLY A 331 5.528 4.253 3.656 1.00 0.18 N ATOM 387 CA GLY A 331 5.037 5.349 4.458 1.00 0.22 C ATOM 388 C GLY A 331 3.609 5.709 4.120 1.00 0.22 C ATOM 389 O GLY A 331 3.332 6.250 3.046 1.00 0.29 O ATOM 0 H GLY A 331 5.943 4.528 2.766 1.00 0.18 H new ATOM 0 HA2 GLY A 331 5.103 5.083 5.513 1.00 0.22 H new ATOM 0 HA3 GLY A 331 5.675 6.220 4.309 1.00 0.22 H new ATOM 393 N ILE A 332 2.702 5.393 5.027 1.00 0.22 N ATOM 394 CA ILE A 332 1.297 5.712 4.849 1.00 0.22 C ATOM 395 C ILE A 332 0.973 7.030 5.540 1.00 0.24 C ATOM 396 O ILE A 332 1.202 7.182 6.744 1.00 0.36 O ATOM 397 CB ILE A 332 0.384 4.603 5.420 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.766 3.235 4.843 1.00 0.27 C ATOM 399 CG2 ILE A 332 -1.082 4.912 5.132 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.647 3.149 3.337 1.00 0.27 C ATOM 0 H ILE A 332 2.916 4.912 5.901 1.00 0.22 H new ATOM 0 HA ILE A 332 1.111 5.793 3.778 1.00 0.22 H new ATOM 0 HB ILE A 332 0.524 4.571 6.500 1.00 0.26 H new ATOM 0 HG12 ILE A 332 1.792 3.004 5.130 1.00 0.27 H new ATOM 0 HG13 ILE A 332 0.130 2.472 5.292 1.00 0.27 H new ATOM 0 HG21 ILE A 332 -1.708 4.120 5.542 1.00 0.28 H new ATOM 0 HG22 ILE A 332 -1.351 5.862 5.593 1.00 0.28 H new ATOM 0 HG23 ILE A 332 -1.236 4.975 4.055 1.00 0.28 H new ATOM 0 HD11 ILE A 332 0.934 2.151 3.006 1.00 0.27 H new ATOM 0 HD12 ILE A 332 -0.383 3.347 3.042 1.00 0.27 H new ATOM 0 HD13 ILE A 332 1.304 3.887 2.877 1.00 0.27 H new ATOM 412 N THR A 333 0.473 7.987 4.777 1.00 0.22 N ATOM 413 CA THR A 333 0.068 9.263 5.333 1.00 0.23 C ATOM 414 C THR A 333 -1.445 9.402 5.244 1.00 0.23 C ATOM 415 O THR A 333 -2.137 8.445 4.896 1.00 0.28 O ATOM 416 CB THR A 333 0.752 10.441 4.604 1.00 0.26 C ATOM 417 OG1 THR A 333 0.353 10.480 3.230 1.00 0.34 O ATOM 418 CG2 THR A 333 2.267 10.323 4.682 1.00 0.38 C ATOM 0 H THR A 333 0.338 7.903 3.769 1.00 0.22 H new ATOM 0 HA THR A 333 0.379 9.293 6.377 1.00 0.23 H new ATOM 0 HB THR A 333 0.442 11.361 5.099 1.00 0.26 H new ATOM 0 HG1 THR A 333 0.441 9.586 2.838 1.00 0.34 H new ATOM 0 HG21 THR A 333 2.725 11.164 4.161 1.00 0.38 H new ATOM 0 HG22 THR A 333 2.579 10.329 5.726 1.00 0.38 H new ATOM 0 HG23 THR A 333 2.584 9.391 4.214 1.00 0.38 H new ATOM 426 N LYS A 334 -1.962 10.585 5.538 1.00 0.26 N ATOM 427 CA LYS A 334 -3.404 10.800 5.536 1.00 0.28 C ATOM 428 C LYS A 334 -3.891 11.159 4.136 1.00 0.26 C ATOM 429 O LYS A 334 -5.034 11.581 3.954 1.00 0.43 O ATOM 430 CB LYS A 334 -3.777 11.914 6.524 1.00 0.38 C ATOM 431 CG LYS A 334 -3.383 13.311 6.064 1.00 0.47 C ATOM 432 CD LYS A 334 -3.681 14.353 7.132 1.00 0.63 C ATOM 433 CE LYS A 334 -3.536 15.770 6.598 1.00 0.89 C ATOM 434 NZ LYS A 334 -2.184 16.031 6.037 1.00 1.61 N ATOM 0 H LYS A 334 -1.410 11.408 5.780 1.00 0.26 H new ATOM 0 HA LYS A 334 -3.889 9.875 5.846 1.00 0.28 H new ATOM 0 HB2 LYS A 334 -4.853 11.889 6.693 1.00 0.38 H new ATOM 0 HB3 LYS A 334 -3.299 11.710 7.482 1.00 0.38 H new ATOM 0 HG2 LYS A 334 -2.320 13.330 5.822 1.00 0.47 H new ATOM 0 HG3 LYS A 334 -3.922 13.560 5.150 1.00 0.47 H new ATOM 0 HD2 LYS A 334 -4.694 14.208 7.508 1.00 0.63 H new ATOM 0 HD3 LYS A 334 -3.005 14.212 7.975 1.00 0.63 H new ATOM 0 HE2 LYS A 334 -4.286 15.942 5.826 1.00 0.89 H new ATOM 0 HE3 LYS A 334 -3.736 16.480 7.401 1.00 0.89 H new ATOM 0 HZ1 LYS A 334 -2.015 17.057 6.001 1.00 1.61 H new ATOM 0 HZ2 LYS A 334 -1.465 15.582 6.640 1.00 1.61 H new ATOM 0 HZ3 LYS A 334 -2.125 15.637 5.076 1.00 1.61 H new ATOM 448 N GLU A 335 -3.030 10.969 3.144 1.00 0.27 N ATOM 449 CA GLU A 335 -3.328 11.427 1.795 1.00 0.33 C ATOM 450 C GLU A 335 -2.567 10.632 0.732 1.00 0.27 C ATOM 451 O GLU A 335 -3.061 10.448 -0.384 1.00 0.34 O ATOM 452 CB GLU A 335 -2.986 12.915 1.694 1.00 0.46 C ATOM 453 CG GLU A 335 -1.552 13.226 2.097 1.00 0.56 C ATOM 454 CD GLU A 335 -1.376 14.645 2.584 1.00 0.85 C ATOM 455 OE1 GLU A 335 -1.335 15.562 1.733 1.00 1.04 O ATOM 456 OE2 GLU A 335 -1.279 14.851 3.811 1.00 1.79 O ATOM 0 H GLU A 335 -2.128 10.505 3.247 1.00 0.27 H new ATOM 0 HA GLU A 335 -4.389 11.269 1.605 1.00 0.33 H new ATOM 0 HB2 GLU A 335 -3.150 13.251 0.670 1.00 0.46 H new ATOM 0 HB3 GLU A 335 -3.667 13.482 2.329 1.00 0.46 H new ATOM 0 HG2 GLU A 335 -1.242 12.536 2.882 1.00 0.56 H new ATOM 0 HG3 GLU A 335 -0.895 13.055 1.245 1.00 0.56 H new ATOM 463 N CYS A 336 -1.380 10.148 1.070 1.00 0.23 N ATOM 464 CA CYS A 336 -0.528 9.501 0.084 1.00 0.24 C ATOM 465 C CYS A 336 0.104 8.219 0.625 1.00 0.21 C ATOM 466 O CYS A 336 0.086 7.953 1.829 1.00 0.28 O ATOM 467 CB CYS A 336 0.569 10.469 -0.361 1.00 0.32 C ATOM 468 SG CYS A 336 -0.047 12.024 -1.054 1.00 1.10 S ATOM 0 H CYS A 336 -0.988 10.190 2.011 1.00 0.23 H new ATOM 0 HA CYS A 336 -1.153 9.227 -0.766 1.00 0.24 H new ATOM 0 HB2 CYS A 336 1.208 10.693 0.493 1.00 0.32 H new ATOM 0 HB3 CYS A 336 1.193 9.975 -1.105 1.00 0.32 H new ATOM 0 HG CYS A 336 0.958 12.774 -1.398 1.00 1.10 H new ATOM 474 N VAL A 337 0.655 7.431 -0.289 1.00 0.22 N ATOM 475 CA VAL A 337 1.370 6.207 0.046 1.00 0.21 C ATOM 476 C VAL A 337 2.752 6.245 -0.598 1.00 0.19 C ATOM 477 O VAL A 337 2.892 6.029 -1.801 1.00 0.22 O ATOM 478 CB VAL A 337 0.611 4.950 -0.444 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.389 3.685 -0.119 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.782 4.891 0.163 1.00 0.32 C ATOM 0 H VAL A 337 0.618 7.625 -1.290 1.00 0.22 H new ATOM 0 HA VAL A 337 1.454 6.147 1.131 1.00 0.21 H new ATOM 0 HB VAL A 337 0.511 5.019 -1.527 1.00 0.26 H new ATOM 0 HG11 VAL A 337 0.835 2.816 -0.473 1.00 0.27 H new ATOM 0 HG12 VAL A 337 2.362 3.720 -0.610 1.00 0.27 H new ATOM 0 HG13 VAL A 337 1.529 3.611 0.959 1.00 0.27 H new ATOM 0 HG21 VAL A 337 -1.297 4.000 -0.195 1.00 0.32 H new ATOM 0 HG22 VAL A 337 -0.704 4.853 1.250 1.00 0.32 H new ATOM 0 HG23 VAL A 337 -1.344 5.778 -0.130 1.00 0.32 H new ATOM 490 N MET A 338 3.768 6.542 0.194 1.00 0.17 N ATOM 491 CA MET A 338 5.103 6.759 -0.346 1.00 0.17 C ATOM 492 C MET A 338 6.024 5.574 -0.075 1.00 0.16 C ATOM 493 O MET A 338 6.136 5.101 1.056 1.00 0.20 O ATOM 494 CB MET A 338 5.711 8.045 0.229 1.00 0.22 C ATOM 495 CG MET A 338 5.821 8.054 1.749 1.00 0.24 C ATOM 496 SD MET A 338 6.564 9.569 2.392 1.00 1.08 S ATOM 497 CE MET A 338 5.385 10.792 1.826 1.00 0.62 C ATOM 0 H MET A 338 3.697 6.638 1.207 1.00 0.17 H new ATOM 0 HA MET A 338 5.005 6.862 -1.427 1.00 0.17 H new ATOM 0 HB2 MET A 338 6.704 8.187 -0.198 1.00 0.22 H new ATOM 0 HB3 MET A 338 5.104 8.894 -0.086 1.00 0.22 H new ATOM 0 HG2 MET A 338 4.828 7.931 2.181 1.00 0.24 H new ATOM 0 HG3 MET A 338 6.416 7.199 2.070 1.00 0.24 H new ATOM 0 HE1 MET A 338 5.442 11.674 2.463 1.00 0.62 H new ATOM 0 HE2 MET A 338 5.616 11.071 0.798 1.00 0.62 H new ATOM 0 HE3 MET A 338 4.379 10.376 1.871 1.00 0.62 H new ATOM 507 N ARG A 339 6.671 5.087 -1.125 1.00 0.16 N ATOM 508 CA ARG A 339 7.681 4.048 -0.981 1.00 0.17 C ATOM 509 C ARG A 339 9.019 4.672 -0.620 1.00 0.16 C ATOM 510 O ARG A 339 9.724 5.193 -1.484 1.00 0.18 O ATOM 511 CB ARG A 339 7.834 3.221 -2.263 1.00 0.22 C ATOM 512 CG ARG A 339 6.596 2.431 -2.639 1.00 0.27 C ATOM 513 CD ARG A 339 6.921 1.326 -3.635 1.00 0.31 C ATOM 514 NE ARG A 339 7.398 1.832 -4.925 1.00 0.73 N ATOM 515 CZ ARG A 339 8.418 1.291 -5.601 1.00 1.03 C ATOM 516 NH1 ARG A 339 9.092 0.266 -5.089 1.00 1.15 N ATOM 517 NH2 ARG A 339 8.756 1.766 -6.795 1.00 1.55 N ATOM 0 H ARG A 339 6.515 5.394 -2.085 1.00 0.16 H new ATOM 0 HA ARG A 339 7.354 3.380 -0.184 1.00 0.17 H new ATOM 0 HB2 ARG A 339 8.090 3.889 -3.086 1.00 0.22 H new ATOM 0 HB3 ARG A 339 8.669 2.531 -2.141 1.00 0.22 H new ATOM 0 HG2 ARG A 339 6.154 1.996 -1.742 1.00 0.27 H new ATOM 0 HG3 ARG A 339 5.851 3.102 -3.068 1.00 0.27 H new ATOM 0 HD2 ARG A 339 7.680 0.671 -3.206 1.00 0.31 H new ATOM 0 HD3 ARG A 339 6.030 0.719 -3.797 1.00 0.31 H new ATOM 0 HE ARG A 339 6.927 2.641 -5.330 1.00 0.73 H new ATOM 0 HH11 ARG A 339 8.832 -0.111 -4.178 1.00 1.15 H new ATOM 0 HH12 ARG A 339 9.869 -0.144 -5.608 1.00 1.15 H new ATOM 0 HH21 ARG A 339 8.237 2.546 -7.199 1.00 1.55 H new ATOM 0 HH22 ARG A 339 9.534 1.351 -7.307 1.00 1.55 H new ATOM 531 N VAL A 340 9.351 4.637 0.656 1.00 0.18 N ATOM 532 CA VAL A 340 10.603 5.187 1.138 1.00 0.22 C ATOM 533 C VAL A 340 11.652 4.087 1.237 1.00 0.24 C ATOM 534 O VAL A 340 11.394 3.025 1.799 1.00 0.24 O ATOM 535 CB VAL A 340 10.416 5.860 2.515 1.00 0.25 C ATOM 536 CG1 VAL A 340 11.730 6.407 3.043 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.379 6.967 2.427 1.00 0.28 C ATOM 0 H VAL A 340 8.764 4.229 1.384 1.00 0.18 H new ATOM 0 HA VAL A 340 10.939 5.943 0.429 1.00 0.22 H new ATOM 0 HB VAL A 340 10.063 5.102 3.214 1.00 0.25 H new ATOM 0 HG11 VAL A 340 11.566 6.875 4.014 1.00 0.31 H new ATOM 0 HG12 VAL A 340 12.447 5.593 3.149 1.00 0.31 H new ATOM 0 HG13 VAL A 340 12.123 7.147 2.346 1.00 0.31 H new ATOM 0 HG21 VAL A 340 9.259 7.431 3.406 1.00 0.28 H new ATOM 0 HG22 VAL A 340 9.707 7.717 1.707 1.00 0.28 H new ATOM 0 HG23 VAL A 340 8.426 6.548 2.105 1.00 0.28 H new ATOM 547 N ASP A 341 12.819 4.324 0.658 1.00 0.30 N ATOM 548 CA ASP A 341 13.900 3.350 0.714 1.00 0.36 C ATOM 549 C ASP A 341 14.330 3.111 2.152 1.00 0.38 C ATOM 550 O ASP A 341 14.512 4.056 2.920 1.00 0.41 O ATOM 551 CB ASP A 341 15.097 3.800 -0.121 1.00 0.46 C ATOM 552 CG ASP A 341 16.224 2.790 -0.072 1.00 0.55 C ATOM 553 OD1 ASP A 341 15.970 1.592 -0.312 1.00 0.67 O ATOM 554 OD2 ASP A 341 17.374 3.198 0.185 1.00 0.77 O ATOM 0 H ASP A 341 13.042 5.178 0.146 1.00 0.30 H new ATOM 0 HA ASP A 341 13.524 2.416 0.296 1.00 0.36 H new ATOM 0 HB2 ASP A 341 14.785 3.947 -1.155 1.00 0.46 H new ATOM 0 HB3 ASP A 341 15.455 4.763 0.244 1.00 0.46 H new ATOM 559 N GLU A 342 14.495 1.840 2.497 1.00 0.42 N ATOM 560 CA GLU A 342 14.814 1.435 3.860 1.00 0.47 C ATOM 561 C GLU A 342 16.100 2.106 4.333 1.00 0.60 C ATOM 562 O GLU A 342 16.156 2.666 5.429 1.00 0.72 O ATOM 563 CB GLU A 342 14.945 -0.096 3.909 1.00 0.49 C ATOM 564 CG GLU A 342 14.967 -0.704 5.310 1.00 0.60 C ATOM 565 CD GLU A 342 16.291 -0.531 6.029 1.00 0.95 C ATOM 566 OE1 GLU A 342 17.349 -0.660 5.382 1.00 1.36 O ATOM 567 OE2 GLU A 342 16.280 -0.267 7.250 1.00 1.51 O ATOM 0 H GLU A 342 14.412 1.063 1.842 1.00 0.42 H new ATOM 0 HA GLU A 342 14.013 1.749 4.530 1.00 0.47 H new ATOM 0 HB2 GLU A 342 14.115 -0.533 3.354 1.00 0.49 H new ATOM 0 HB3 GLU A 342 15.861 -0.383 3.392 1.00 0.49 H new ATOM 0 HG2 GLU A 342 14.177 -0.248 5.907 1.00 0.60 H new ATOM 0 HG3 GLU A 342 14.739 -1.767 5.239 1.00 0.60 H new ATOM 574 N LYS A 343 17.118 2.082 3.490 1.00 0.69 N ATOM 575 CA LYS A 343 18.434 2.559 3.881 1.00 0.87 C ATOM 576 C LYS A 343 18.591 4.059 3.642 1.00 0.79 C ATOM 577 O LYS A 343 18.903 4.812 4.565 1.00 0.86 O ATOM 578 CB LYS A 343 19.515 1.793 3.117 1.00 1.08 C ATOM 579 CG LYS A 343 20.928 2.121 3.568 1.00 1.36 C ATOM 580 CD LYS A 343 21.961 1.393 2.729 1.00 1.63 C ATOM 581 CE LYS A 343 23.372 1.706 3.192 1.00 2.26 C ATOM 582 NZ LYS A 343 24.395 1.052 2.338 1.00 3.06 N ATOM 0 H LYS A 343 17.059 1.738 2.532 1.00 0.69 H new ATOM 0 HA LYS A 343 18.545 2.382 4.951 1.00 0.87 H new ATOM 0 HB2 LYS A 343 19.344 0.723 3.237 1.00 1.08 H new ATOM 0 HB3 LYS A 343 19.422 2.014 2.054 1.00 1.08 H new ATOM 0 HG2 LYS A 343 21.093 3.196 3.499 1.00 1.36 H new ATOM 0 HG3 LYS A 343 21.050 1.847 4.616 1.00 1.36 H new ATOM 0 HD2 LYS A 343 21.787 0.318 2.787 1.00 1.63 H new ATOM 0 HD3 LYS A 343 21.848 1.678 1.683 1.00 1.63 H new ATOM 0 HE2 LYS A 343 23.526 2.785 3.181 1.00 2.26 H new ATOM 0 HE3 LYS A 343 23.497 1.377 4.224 1.00 2.26 H new ATOM 0 HZ1 LYS A 343 25.344 1.291 2.689 1.00 3.06 H new ATOM 0 HZ2 LYS A 343 24.265 0.021 2.368 1.00 3.06 H new ATOM 0 HZ3 LYS A 343 24.294 1.385 1.358 1.00 3.06 H new ATOM 596 N THR A 344 18.358 4.493 2.410 1.00 0.73 N ATOM 597 CA THR A 344 18.675 5.861 2.011 1.00 0.72 C ATOM 598 C THR A 344 17.543 6.843 2.337 1.00 0.63 C ATOM 599 O THR A 344 17.728 8.059 2.247 1.00 0.67 O ATOM 600 CB THR A 344 18.985 5.917 0.503 1.00 0.80 C ATOM 601 OG1 THR A 344 19.621 4.696 0.101 1.00 0.92 O ATOM 602 CG2 THR A 344 19.897 7.091 0.174 1.00 0.92 C ATOM 0 H THR A 344 17.952 3.920 1.670 1.00 0.73 H new ATOM 0 HA THR A 344 19.551 6.164 2.584 1.00 0.72 H new ATOM 0 HB THR A 344 18.046 6.047 -0.035 1.00 0.80 H new ATOM 0 HG1 THR A 344 18.950 3.985 0.033 1.00 0.92 H new ATOM 0 HG21 THR A 344 20.099 7.106 -0.897 1.00 0.92 H new ATOM 0 HG22 THR A 344 19.411 8.022 0.464 1.00 0.92 H new ATOM 0 HG23 THR A 344 20.835 6.987 0.719 1.00 0.92 H new ATOM 610 N LYS A 345 16.378 6.310 2.720 1.00 0.55 N ATOM 611 CA LYS A 345 15.199 7.129 3.043 1.00 0.52 C ATOM 612 C LYS A 345 14.676 7.871 1.812 1.00 0.53 C ATOM 613 O LYS A 345 13.958 8.862 1.933 1.00 0.61 O ATOM 614 CB LYS A 345 15.505 8.135 4.162 1.00 0.61 C ATOM 615 CG LYS A 345 15.724 7.505 5.527 1.00 0.63 C ATOM 616 CD LYS A 345 14.480 6.783 6.018 1.00 0.62 C ATOM 617 CE LYS A 345 14.628 6.335 7.464 1.00 0.71 C ATOM 618 NZ LYS A 345 14.690 7.487 8.402 1.00 1.50 N ATOM 0 H LYS A 345 16.223 5.306 2.815 1.00 0.55 H new ATOM 0 HA LYS A 345 14.426 6.444 3.390 1.00 0.52 H new ATOM 0 HB2 LYS A 345 16.395 8.703 3.890 1.00 0.61 H new ATOM 0 HB3 LYS A 345 14.681 8.846 4.231 1.00 0.61 H new ATOM 0 HG2 LYS A 345 16.556 6.803 5.475 1.00 0.63 H new ATOM 0 HG3 LYS A 345 16.004 8.277 6.244 1.00 0.63 H new ATOM 0 HD2 LYS A 345 13.616 7.442 5.927 1.00 0.62 H new ATOM 0 HD3 LYS A 345 14.288 5.916 5.386 1.00 0.62 H new ATOM 0 HE2 LYS A 345 13.788 5.694 7.732 1.00 0.71 H new ATOM 0 HE3 LYS A 345 15.532 5.735 7.567 1.00 0.71 H new ATOM 0 HZ1 LYS A 345 14.519 7.154 9.372 1.00 1.50 H new ATOM 0 HZ2 LYS A 345 15.630 7.928 8.348 1.00 1.50 H new ATOM 0 HZ3 LYS A 345 13.965 8.186 8.142 1.00 1.50 H new ATOM 632 N GLU A 346 15.015 7.369 0.636 1.00 0.53 N ATOM 633 CA GLU A 346 14.596 7.988 -0.615 1.00 0.58 C ATOM 634 C GLU A 346 13.156 7.627 -0.953 1.00 0.44 C ATOM 635 O GLU A 346 12.789 6.453 -0.955 1.00 0.42 O ATOM 636 CB GLU A 346 15.514 7.540 -1.751 1.00 0.77 C ATOM 637 CG GLU A 346 16.918 8.104 -1.659 1.00 0.95 C ATOM 638 CD GLU A 346 16.956 9.597 -1.897 1.00 1.61 C ATOM 639 OE1 GLU A 346 16.767 10.028 -3.053 1.00 1.81 O ATOM 640 OE2 GLU A 346 17.178 10.348 -0.923 1.00 2.46 O ATOM 0 H GLU A 346 15.583 6.530 0.519 1.00 0.53 H new ATOM 0 HA GLU A 346 14.661 9.069 -0.494 1.00 0.58 H new ATOM 0 HB2 GLU A 346 15.569 6.451 -1.754 1.00 0.77 H new ATOM 0 HB3 GLU A 346 15.073 7.840 -2.702 1.00 0.77 H new ATOM 0 HG2 GLU A 346 17.331 7.885 -0.674 1.00 0.95 H new ATOM 0 HG3 GLU A 346 17.555 7.606 -2.390 1.00 0.95 H new ATOM 647 N VAL A 347 12.347 8.634 -1.235 1.00 0.39 N ATOM 648 CA VAL A 347 10.977 8.408 -1.666 1.00 0.33 C ATOM 649 C VAL A 347 10.970 8.031 -3.142 1.00 0.31 C ATOM 650 O VAL A 347 11.037 8.892 -4.021 1.00 0.42 O ATOM 651 CB VAL A 347 10.082 9.645 -1.437 1.00 0.41 C ATOM 652 CG1 VAL A 347 8.642 9.353 -1.839 1.00 0.54 C ATOM 653 CG2 VAL A 347 10.150 10.095 0.015 1.00 0.58 C ATOM 0 H VAL A 347 12.615 9.616 -1.173 1.00 0.39 H new ATOM 0 HA VAL A 347 10.567 7.596 -1.066 1.00 0.33 H new ATOM 0 HB VAL A 347 10.454 10.454 -2.066 1.00 0.41 H new ATOM 0 HG11 VAL A 347 8.030 10.239 -1.669 1.00 0.54 H new ATOM 0 HG12 VAL A 347 8.606 9.085 -2.895 1.00 0.54 H new ATOM 0 HG13 VAL A 347 8.258 8.526 -1.241 1.00 0.54 H new ATOM 0 HG21 VAL A 347 9.512 10.968 0.156 1.00 0.58 H new ATOM 0 HG22 VAL A 347 9.808 9.288 0.663 1.00 0.58 H new ATOM 0 HG23 VAL A 347 11.178 10.352 0.268 1.00 0.58 H new ATOM 663 N ILE A 348 10.917 6.736 -3.403 1.00 0.25 N ATOM 664 CA ILE A 348 11.021 6.219 -4.758 1.00 0.26 C ATOM 665 C ILE A 348 9.736 6.459 -5.543 1.00 0.26 C ATOM 666 O ILE A 348 9.771 6.852 -6.711 1.00 0.35 O ATOM 667 CB ILE A 348 11.339 4.706 -4.749 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.595 4.434 -3.916 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.521 4.189 -6.171 1.00 0.32 C ATOM 670 CD1 ILE A 348 12.921 2.964 -3.760 1.00 0.31 C ATOM 0 H ILE A 348 10.802 6.018 -2.688 1.00 0.25 H new ATOM 0 HA ILE A 348 11.836 6.755 -5.245 1.00 0.26 H new ATOM 0 HB ILE A 348 10.499 4.178 -4.297 1.00 0.27 H new ATOM 0 HG12 ILE A 348 13.443 4.937 -4.381 1.00 0.29 H new ATOM 0 HG13 ILE A 348 12.466 4.874 -2.927 1.00 0.29 H new ATOM 0 HG21 ILE A 348 11.744 3.122 -6.145 1.00 0.32 H new ATOM 0 HG22 ILE A 348 10.605 4.354 -6.738 1.00 0.32 H new ATOM 0 HG23 ILE A 348 12.344 4.720 -6.649 1.00 0.32 H new ATOM 0 HD11 ILE A 348 13.823 2.853 -3.158 1.00 0.31 H new ATOM 0 HD12 ILE A 348 12.091 2.458 -3.267 1.00 0.31 H new ATOM 0 HD13 ILE A 348 13.084 2.521 -4.743 1.00 0.31 H new ATOM 682 N GLN A 349 8.601 6.234 -4.899 1.00 0.23 N ATOM 683 CA GLN A 349 7.318 6.326 -5.580 1.00 0.23 C ATOM 684 C GLN A 349 6.215 6.668 -4.589 1.00 0.22 C ATOM 685 O GLN A 349 5.937 5.898 -3.669 1.00 0.29 O ATOM 686 CB GLN A 349 7.021 4.998 -6.276 1.00 0.28 C ATOM 687 CG GLN A 349 5.990 5.086 -7.388 1.00 0.40 C ATOM 688 CD GLN A 349 5.947 3.815 -8.213 1.00 0.86 C ATOM 689 OE1 GLN A 349 6.944 3.105 -8.317 1.00 1.65 O ATOM 690 NE2 GLN A 349 4.810 3.527 -8.817 1.00 0.81 N ATOM 0 H GLN A 349 8.541 5.988 -3.911 1.00 0.23 H new ATOM 0 HA GLN A 349 7.360 7.120 -6.325 1.00 0.23 H new ATOM 0 HB2 GLN A 349 7.949 4.603 -6.689 1.00 0.28 H new ATOM 0 HB3 GLN A 349 6.673 4.282 -5.531 1.00 0.28 H new ATOM 0 HG2 GLN A 349 5.006 5.275 -6.958 1.00 0.40 H new ATOM 0 HG3 GLN A 349 6.223 5.932 -8.035 1.00 0.40 H new ATOM 0 HE21 GLN A 349 4.004 4.142 -8.706 1.00 0.81 H new ATOM 0 HE22 GLN A 349 4.737 2.690 -9.395 1.00 0.81 H new ATOM 699 N GLU A 350 5.610 7.831 -4.766 1.00 0.23 N ATOM 700 CA GLU A 350 4.545 8.287 -3.885 1.00 0.25 C ATOM 701 C GLU A 350 3.192 8.201 -4.584 1.00 0.26 C ATOM 702 O GLU A 350 2.950 8.892 -5.574 1.00 0.36 O ATOM 703 CB GLU A 350 4.819 9.727 -3.444 1.00 0.30 C ATOM 704 CG GLU A 350 3.711 10.345 -2.606 1.00 0.36 C ATOM 705 CD GLU A 350 3.962 11.809 -2.307 1.00 0.45 C ATOM 706 OE1 GLU A 350 3.794 12.644 -3.220 1.00 0.60 O ATOM 707 OE2 GLU A 350 4.321 12.132 -1.152 1.00 0.65 O ATOM 0 H GLU A 350 5.840 8.481 -5.517 1.00 0.23 H new ATOM 0 HA GLU A 350 4.518 7.641 -3.008 1.00 0.25 H new ATOM 0 HB2 GLU A 350 5.747 9.749 -2.872 1.00 0.30 H new ATOM 0 HB3 GLU A 350 4.975 10.343 -4.330 1.00 0.30 H new ATOM 0 HG2 GLU A 350 2.761 10.242 -3.131 1.00 0.36 H new ATOM 0 HG3 GLU A 350 3.619 9.796 -1.669 1.00 0.36 H new ATOM 714 N TRP A 351 2.329 7.335 -4.079 1.00 0.23 N ATOM 715 CA TRP A 351 0.972 7.217 -4.590 1.00 0.26 C ATOM 716 C TRP A 351 0.029 8.103 -3.794 1.00 0.25 C ATOM 717 O TRP A 351 0.388 8.608 -2.736 1.00 0.52 O ATOM 718 CB TRP A 351 0.475 5.773 -4.506 1.00 0.30 C ATOM 719 CG TRP A 351 1.161 4.831 -5.443 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.047 4.800 -6.803 1.00 0.38 C ATOM 721 CD2 TRP A 351 2.039 3.760 -5.087 1.00 0.30 C ATOM 722 NE1 TRP A 351 1.807 3.778 -7.314 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.426 3.125 -6.281 1.00 0.34 C ATOM 724 CE3 TRP A 351 2.538 3.278 -3.875 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.288 2.033 -6.298 1.00 0.38 C ATOM 726 CZ3 TRP A 351 3.392 2.194 -3.894 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.760 1.581 -5.099 1.00 0.39 C ATOM 0 H TRP A 351 2.545 6.700 -3.311 1.00 0.23 H new ATOM 0 HA TRP A 351 0.987 7.531 -5.634 1.00 0.26 H new ATOM 0 HB2 TRP A 351 0.609 5.414 -3.486 1.00 0.30 H new ATOM 0 HB3 TRP A 351 -0.595 5.757 -4.712 1.00 0.30 H new ATOM 0 HD1 TRP A 351 0.447 5.480 -7.390 1.00 0.38 H new ATOM 0 HE1 TRP A 351 1.896 3.543 -8.302 1.00 0.41 H new ATOM 0 HE3 TRP A 351 2.261 3.744 -2.941 1.00 0.35 H new ATOM 0 HZ2 TRP A 351 3.573 1.560 -7.226 1.00 0.38 H new ATOM 0 HZ3 TRP A 351 3.784 1.811 -2.963 1.00 0.40 H new ATOM 0 HH2 TRP A 351 4.430 0.734 -5.079 1.00 0.39 H new ATOM 738 N SER A 352 -1.176 8.275 -4.303 1.00 0.31 N ATOM 739 CA SER A 352 -2.211 9.003 -3.591 1.00 0.30 C ATOM 740 C SER A 352 -3.365 8.056 -3.282 1.00 0.26 C ATOM 741 O SER A 352 -3.623 7.126 -4.047 1.00 0.28 O ATOM 742 CB SER A 352 -2.697 10.192 -4.429 1.00 0.35 C ATOM 743 OG SER A 352 -3.732 10.911 -3.773 1.00 1.27 O ATOM 0 H SER A 352 -1.464 7.918 -5.214 1.00 0.31 H new ATOM 0 HA SER A 352 -1.807 9.392 -2.657 1.00 0.30 H new ATOM 0 HB2 SER A 352 -1.860 10.861 -4.630 1.00 0.35 H new ATOM 0 HB3 SER A 352 -3.058 9.834 -5.393 1.00 0.35 H new ATOM 0 HG SER A 352 -4.545 10.885 -4.319 1.00 1.27 H new ATOM 749 N LEU A 353 -4.053 8.287 -2.167 1.00 0.25 N ATOM 750 CA LEU A 353 -5.186 7.449 -1.777 1.00 0.24 C ATOM 751 C LEU A 353 -6.283 7.516 -2.834 1.00 0.23 C ATOM 752 O LEU A 353 -7.064 6.581 -3.007 1.00 0.23 O ATOM 753 CB LEU A 353 -5.748 7.898 -0.425 1.00 0.25 C ATOM 754 CG LEU A 353 -4.750 7.905 0.736 1.00 0.26 C ATOM 755 CD1 LEU A 353 -5.442 8.315 2.028 1.00 0.31 C ATOM 756 CD2 LEU A 353 -4.096 6.542 0.891 1.00 0.26 C ATOM 0 H LEU A 353 -3.847 9.046 -1.518 1.00 0.25 H new ATOM 0 HA LEU A 353 -4.834 6.421 -1.690 1.00 0.24 H new ATOM 0 HB2 LEU A 353 -6.155 8.903 -0.537 1.00 0.25 H new ATOM 0 HB3 LEU A 353 -6.580 7.244 -0.162 1.00 0.25 H new ATOM 0 HG LEU A 353 -3.970 8.634 0.514 1.00 0.26 H new ATOM 0 HD11 LEU A 353 -4.719 8.315 2.844 1.00 0.31 H new ATOM 0 HD12 LEU A 353 -5.861 9.315 1.915 1.00 0.31 H new ATOM 0 HD13 LEU A 353 -6.242 7.609 2.252 1.00 0.31 H new ATOM 0 HD21 LEU A 353 -3.391 6.569 1.721 1.00 0.26 H new ATOM 0 HD22 LEU A 353 -4.861 5.792 1.089 1.00 0.26 H new ATOM 0 HD23 LEU A 353 -3.566 6.286 -0.027 1.00 0.26 H new ATOM 768 N THR A 354 -6.316 8.633 -3.539 1.00 0.26 N ATOM 769 CA THR A 354 -7.283 8.874 -4.595 1.00 0.28 C ATOM 770 C THR A 354 -6.972 8.053 -5.850 1.00 0.28 C ATOM 771 O THR A 354 -7.828 7.872 -6.715 1.00 0.35 O ATOM 772 CB THR A 354 -7.282 10.368 -4.969 1.00 0.36 C ATOM 773 OG1 THR A 354 -5.980 10.745 -5.446 1.00 0.44 O ATOM 774 CG2 THR A 354 -7.639 11.238 -3.775 1.00 0.42 C ATOM 0 H THR A 354 -5.666 9.405 -3.393 1.00 0.26 H new ATOM 0 HA THR A 354 -8.261 8.573 -4.218 1.00 0.28 H new ATOM 0 HB THR A 354 -8.031 10.519 -5.747 1.00 0.36 H new ATOM 0 HG1 THR A 354 -5.827 10.347 -6.329 1.00 0.44 H new ATOM 0 HG21 THR A 354 -7.629 12.286 -4.073 1.00 0.42 H new ATOM 0 HG22 THR A 354 -8.633 10.972 -3.415 1.00 0.42 H new ATOM 0 HG23 THR A 354 -6.911 11.080 -2.979 1.00 0.42 H new ATOM 782 N ASN A 355 -5.744 7.561 -5.953 1.00 0.26 N ATOM 783 CA ASN A 355 -5.318 6.844 -7.152 1.00 0.30 C ATOM 784 C ASN A 355 -5.396 5.345 -6.928 1.00 0.28 C ATOM 785 O ASN A 355 -5.098 4.548 -7.819 1.00 0.33 O ATOM 786 CB ASN A 355 -3.893 7.242 -7.555 1.00 0.37 C ATOM 787 CG ASN A 355 -3.726 8.741 -7.717 1.00 0.49 C ATOM 788 OD1 ASN A 355 -4.686 9.468 -7.969 1.00 0.83 O ATOM 789 ND2 ASN A 355 -2.498 9.213 -7.592 1.00 0.66 N ATOM 0 H ASN A 355 -5.030 7.643 -5.229 1.00 0.26 H new ATOM 0 HA ASN A 355 -5.992 7.117 -7.964 1.00 0.30 H new ATOM 0 HB2 ASN A 355 -3.193 6.882 -6.801 1.00 0.37 H new ATOM 0 HB3 ASN A 355 -3.634 6.749 -8.492 1.00 0.37 H new ATOM 0 HD21 ASN A 355 -2.321 10.211 -7.705 1.00 0.66 H new ATOM 0 HD22 ASN A 355 -1.727 8.579 -7.383 1.00 0.66 H new ATOM 796 N ILE A 356 -5.802 4.976 -5.727 1.00 0.26 N ATOM 797 CA ILE A 356 -5.963 3.584 -5.350 1.00 0.28 C ATOM 798 C ILE A 356 -7.364 3.110 -5.723 1.00 0.28 C ATOM 799 O ILE A 356 -8.292 3.912 -5.767 1.00 0.38 O ATOM 800 CB ILE A 356 -5.739 3.411 -3.827 1.00 0.31 C ATOM 801 CG1 ILE A 356 -4.296 3.773 -3.458 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.073 1.996 -3.378 1.00 0.36 C ATOM 803 CD1 ILE A 356 -4.011 3.701 -1.973 1.00 0.38 C ATOM 0 H ILE A 356 -6.030 5.636 -4.983 1.00 0.26 H new ATOM 0 HA ILE A 356 -5.224 2.986 -5.884 1.00 0.28 H new ATOM 0 HB ILE A 356 -6.413 4.090 -3.305 1.00 0.31 H new ATOM 0 HG12 ILE A 356 -3.617 3.101 -3.982 1.00 0.33 H new ATOM 0 HG13 ILE A 356 -4.082 4.782 -3.811 1.00 0.33 H new ATOM 0 HG21 ILE A 356 -5.906 1.906 -2.305 1.00 0.36 H new ATOM 0 HG22 ILE A 356 -7.118 1.780 -3.602 1.00 0.36 H new ATOM 0 HG23 ILE A 356 -5.435 1.287 -3.905 1.00 0.36 H new ATOM 0 HD11 ILE A 356 -2.971 3.970 -1.789 1.00 0.38 H new ATOM 0 HD12 ILE A 356 -4.665 4.394 -1.443 1.00 0.38 H new ATOM 0 HD13 ILE A 356 -4.192 2.687 -1.617 1.00 0.38 H new ATOM 815 N LYS A 357 -7.513 1.828 -6.030 1.00 0.26 N ATOM 816 CA LYS A 357 -8.838 1.259 -6.222 1.00 0.30 C ATOM 817 C LYS A 357 -9.155 0.262 -5.116 1.00 0.31 C ATOM 818 O LYS A 357 -10.151 0.396 -4.406 1.00 0.45 O ATOM 819 CB LYS A 357 -8.971 0.571 -7.582 1.00 0.35 C ATOM 820 CG LYS A 357 -10.298 -0.155 -7.731 1.00 0.46 C ATOM 821 CD LYS A 357 -10.502 -0.725 -9.119 1.00 0.60 C ATOM 822 CE LYS A 357 -11.833 -1.454 -9.210 1.00 0.79 C ATOM 823 NZ LYS A 357 -12.947 -0.681 -8.589 1.00 1.75 N ATOM 0 H LYS A 357 -6.743 1.170 -6.150 1.00 0.26 H new ATOM 0 HA LYS A 357 -9.550 2.084 -6.187 1.00 0.30 H new ATOM 0 HB2 LYS A 357 -8.874 1.314 -8.374 1.00 0.35 H new ATOM 0 HB3 LYS A 357 -8.154 -0.139 -7.709 1.00 0.35 H new ATOM 0 HG2 LYS A 357 -10.349 -0.962 -7.000 1.00 0.46 H new ATOM 0 HG3 LYS A 357 -11.111 0.534 -7.503 1.00 0.46 H new ATOM 0 HD2 LYS A 357 -10.470 0.078 -9.856 1.00 0.60 H new ATOM 0 HD3 LYS A 357 -9.689 -1.410 -9.359 1.00 0.60 H new ATOM 0 HE2 LYS A 357 -12.068 -1.647 -10.257 1.00 0.79 H new ATOM 0 HE3 LYS A 357 -11.748 -2.423 -8.718 1.00 0.79 H new ATOM 0 HZ1 LYS A 357 -13.848 -0.956 -9.030 1.00 1.75 H new ATOM 0 HZ2 LYS A 357 -12.984 -0.884 -7.570 1.00 1.75 H new ATOM 0 HZ3 LYS A 357 -12.787 0.336 -8.734 1.00 1.75 H new ATOM 837 N ARG A 358 -8.301 -0.734 -4.971 1.00 0.26 N ATOM 838 CA ARG A 358 -8.527 -1.789 -4.002 1.00 0.29 C ATOM 839 C ARG A 358 -7.215 -2.243 -3.397 1.00 0.28 C ATOM 840 O ARG A 358 -6.164 -2.176 -4.039 1.00 0.35 O ATOM 841 CB ARG A 358 -9.239 -2.972 -4.660 1.00 0.34 C ATOM 842 CG ARG A 358 -8.582 -3.441 -5.947 1.00 0.37 C ATOM 843 CD ARG A 358 -9.323 -4.610 -6.571 1.00 0.54 C ATOM 844 NE ARG A 358 -10.730 -4.304 -6.821 1.00 0.83 N ATOM 845 CZ ARG A 358 -11.427 -4.779 -7.847 1.00 1.19 C ATOM 846 NH1 ARG A 358 -10.828 -5.495 -8.791 1.00 1.46 N ATOM 847 NH2 ARG A 358 -12.722 -4.497 -7.948 1.00 1.75 N ATOM 0 H ARG A 358 -7.443 -0.834 -5.513 1.00 0.26 H new ATOM 0 HA ARG A 358 -9.160 -1.396 -3.207 1.00 0.29 H new ATOM 0 HB2 ARG A 358 -9.271 -3.803 -3.955 1.00 0.34 H new ATOM 0 HB3 ARG A 358 -10.271 -2.692 -4.870 1.00 0.34 H new ATOM 0 HG2 ARG A 358 -8.545 -2.615 -6.657 1.00 0.37 H new ATOM 0 HG3 ARG A 358 -7.552 -3.732 -5.743 1.00 0.37 H new ATOM 0 HD2 ARG A 358 -8.841 -4.884 -7.509 1.00 0.54 H new ATOM 0 HD3 ARG A 358 -9.253 -5.475 -5.912 1.00 0.54 H new ATOM 0 HE ARG A 358 -11.208 -3.686 -6.165 1.00 0.83 H new ATOM 0 HH11 ARG A 358 -9.827 -5.683 -8.731 1.00 1.46 H new ATOM 0 HH12 ARG A 358 -11.369 -5.857 -9.577 1.00 1.46 H new ATOM 0 HH21 ARG A 358 -13.175 -3.919 -7.240 1.00 1.75 H new ATOM 0 HH22 ARG A 358 -13.263 -4.859 -8.733 1.00 1.75 H new ATOM 861 N TRP A 359 -7.275 -2.686 -2.157 1.00 0.25 N ATOM 862 CA TRP A 359 -6.108 -3.220 -1.491 1.00 0.27 C ATOM 863 C TRP A 359 -6.443 -4.534 -0.800 1.00 0.28 C ATOM 864 O TRP A 359 -7.508 -4.682 -0.200 1.00 0.36 O ATOM 865 CB TRP A 359 -5.527 -2.201 -0.499 1.00 0.28 C ATOM 866 CG TRP A 359 -6.514 -1.645 0.488 1.00 0.27 C ATOM 867 CD1 TRP A 359 -6.784 -2.127 1.732 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.348 -0.492 0.316 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.730 -1.345 2.348 1.00 0.35 N ATOM 870 CE2 TRP A 359 -8.094 -0.338 1.498 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.534 0.423 -0.719 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -9.011 0.695 1.672 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.446 1.446 -0.548 1.00 0.40 C ATOM 874 CH2 TRP A 359 -9.174 1.576 0.641 1.00 0.39 C ATOM 0 H TRP A 359 -8.123 -2.686 -1.590 1.00 0.25 H new ATOM 0 HA TRP A 359 -5.344 -3.419 -2.243 1.00 0.27 H new ATOM 0 HB2 TRP A 359 -4.713 -2.674 0.050 1.00 0.28 H new ATOM 0 HB3 TRP A 359 -5.093 -1.374 -1.062 1.00 0.28 H new ATOM 0 HD1 TRP A 359 -6.321 -2.998 2.171 1.00 0.36 H new ATOM 0 HE1 TRP A 359 -8.101 -1.492 3.287 1.00 0.35 H new ATOM 0 HE3 TRP A 359 -6.975 0.334 -1.639 1.00 0.32 H new ATOM 0 HZ2 TRP A 359 -9.573 0.796 2.589 1.00 0.33 H new ATOM 0 HZ3 TRP A 359 -8.600 2.158 -1.345 1.00 0.40 H new ATOM 0 HH2 TRP A 359 -9.878 2.388 0.745 1.00 0.39 H new ATOM 885 N ALA A 360 -5.537 -5.491 -0.926 1.00 0.25 N ATOM 886 CA ALA A 360 -5.707 -6.802 -0.326 1.00 0.27 C ATOM 887 C ALA A 360 -4.877 -6.918 0.934 1.00 0.25 C ATOM 888 O ALA A 360 -3.647 -6.849 0.894 1.00 0.31 O ATOM 889 CB ALA A 360 -5.343 -7.898 -1.315 1.00 0.31 C ATOM 0 H ALA A 360 -4.666 -5.380 -1.446 1.00 0.25 H new ATOM 0 HA ALA A 360 -6.756 -6.924 -0.058 1.00 0.27 H new ATOM 0 HB1 ALA A 360 -5.478 -8.872 -0.845 1.00 0.31 H new ATOM 0 HB2 ALA A 360 -5.987 -7.826 -2.191 1.00 0.31 H new ATOM 0 HB3 ALA A 360 -4.303 -7.783 -1.619 1.00 0.31 H new ATOM 895 N ALA A 361 -5.560 -7.078 2.052 1.00 0.26 N ATOM 896 CA ALA A 361 -4.902 -7.183 3.336 1.00 0.27 C ATOM 897 C ALA A 361 -4.909 -8.618 3.830 1.00 0.25 C ATOM 898 O ALA A 361 -5.959 -9.260 3.893 1.00 0.38 O ATOM 899 CB ALA A 361 -5.577 -6.274 4.347 1.00 0.35 C ATOM 0 H ALA A 361 -6.577 -7.138 2.094 1.00 0.26 H new ATOM 0 HA ALA A 361 -3.865 -6.869 3.217 1.00 0.27 H new ATOM 0 HB1 ALA A 361 -5.073 -6.362 5.309 1.00 0.35 H new ATOM 0 HB2 ALA A 361 -5.522 -5.242 4.002 1.00 0.35 H new ATOM 0 HB3 ALA A 361 -6.622 -6.565 4.457 1.00 0.35 H new ATOM 905 N SER A 362 -3.733 -9.126 4.148 1.00 0.32 N ATOM 906 CA SER A 362 -3.609 -10.448 4.729 1.00 0.40 C ATOM 907 C SER A 362 -2.505 -10.435 5.779 1.00 0.42 C ATOM 908 O SER A 362 -1.648 -9.550 5.764 1.00 0.44 O ATOM 909 CB SER A 362 -3.316 -11.489 3.638 1.00 0.47 C ATOM 910 OG SER A 362 -2.112 -11.196 2.947 1.00 1.00 O ATOM 0 H SER A 362 -2.847 -8.640 4.013 1.00 0.32 H new ATOM 0 HA SER A 362 -4.549 -10.723 5.207 1.00 0.40 H new ATOM 0 HB2 SER A 362 -3.246 -12.479 4.088 1.00 0.47 H new ATOM 0 HB3 SER A 362 -4.145 -11.518 2.930 1.00 0.47 H new ATOM 0 HG SER A 362 -1.942 -10.231 2.980 1.00 1.00 H new ATOM 916 N PRO A 363 -2.509 -11.397 6.711 1.00 0.46 N ATOM 917 CA PRO A 363 -1.448 -11.523 7.714 1.00 0.48 C ATOM 918 C PRO A 363 -0.157 -12.084 7.120 1.00 0.45 C ATOM 919 O PRO A 363 0.808 -12.348 7.838 1.00 0.66 O ATOM 920 CB PRO A 363 -2.039 -12.501 8.729 1.00 0.58 C ATOM 921 CG PRO A 363 -2.996 -13.327 7.943 1.00 0.60 C ATOM 922 CD PRO A 363 -3.557 -12.423 6.883 1.00 0.53 C ATOM 0 HA PRO A 363 -1.170 -10.560 8.142 1.00 0.48 H new ATOM 0 HB2 PRO A 363 -1.263 -13.118 9.183 1.00 0.58 H new ATOM 0 HB3 PRO A 363 -2.543 -11.975 9.540 1.00 0.58 H new ATOM 0 HG2 PRO A 363 -2.494 -14.186 7.497 1.00 0.60 H new ATOM 0 HG3 PRO A 363 -3.789 -13.717 8.581 1.00 0.60 H new ATOM 0 HD2 PRO A 363 -3.746 -12.963 5.955 1.00 0.53 H new ATOM 0 HD3 PRO A 363 -4.504 -11.981 7.193 1.00 0.53 H new ATOM 930 N LYS A 364 -0.149 -12.269 5.807 1.00 0.44 N ATOM 931 CA LYS A 364 1.009 -12.815 5.117 1.00 0.44 C ATOM 932 C LYS A 364 1.629 -11.770 4.186 1.00 0.37 C ATOM 933 O LYS A 364 2.853 -11.667 4.087 1.00 0.40 O ATOM 934 CB LYS A 364 0.581 -14.051 4.309 1.00 0.56 C ATOM 935 CG LYS A 364 1.715 -14.765 3.584 1.00 0.72 C ATOM 936 CD LYS A 364 2.246 -15.951 4.380 1.00 0.98 C ATOM 937 CE LYS A 364 3.333 -16.691 3.615 1.00 1.26 C ATOM 938 NZ LYS A 364 4.514 -15.828 3.352 1.00 2.08 N ATOM 0 H LYS A 364 -0.936 -12.047 5.197 1.00 0.44 H new ATOM 0 HA LYS A 364 1.759 -13.100 5.855 1.00 0.44 H new ATOM 0 HB2 LYS A 364 0.097 -14.758 4.983 1.00 0.56 H new ATOM 0 HB3 LYS A 364 -0.166 -13.747 3.576 1.00 0.56 H new ATOM 0 HG2 LYS A 364 1.363 -15.110 2.612 1.00 0.72 H new ATOM 0 HG3 LYS A 364 2.526 -14.061 3.398 1.00 0.72 H new ATOM 0 HD2 LYS A 364 2.643 -15.603 5.334 1.00 0.98 H new ATOM 0 HD3 LYS A 364 1.428 -16.635 4.606 1.00 0.98 H new ATOM 0 HE2 LYS A 364 3.644 -17.568 4.183 1.00 1.26 H new ATOM 0 HE3 LYS A 364 2.929 -17.051 2.669 1.00 1.26 H new ATOM 0 HZ1 LYS A 364 5.299 -16.412 2.999 1.00 2.08 H new ATOM 0 HZ2 LYS A 364 4.268 -15.111 2.640 1.00 2.08 H new ATOM 0 HZ3 LYS A 364 4.802 -15.356 4.233 1.00 2.08 H new ATOM 952 N SER A 365 0.779 -10.968 3.547 1.00 0.35 N ATOM 953 CA SER A 365 1.232 -9.976 2.578 1.00 0.34 C ATOM 954 C SER A 365 0.206 -8.852 2.413 1.00 0.32 C ATOM 955 O SER A 365 -0.872 -8.880 3.009 1.00 0.52 O ATOM 956 CB SER A 365 1.488 -10.635 1.215 1.00 0.40 C ATOM 957 OG SER A 365 2.590 -11.527 1.262 1.00 1.32 O ATOM 0 H SER A 365 -0.231 -10.988 3.685 1.00 0.35 H new ATOM 0 HA SER A 365 2.161 -9.548 2.956 1.00 0.34 H new ATOM 0 HB2 SER A 365 0.596 -11.175 0.899 1.00 0.40 H new ATOM 0 HB3 SER A 365 1.675 -9.864 0.468 1.00 0.40 H new ATOM 0 HG SER A 365 2.723 -11.929 0.378 1.00 1.32 H new ATOM 963 N PHE A 366 0.556 -7.865 1.601 1.00 0.19 N ATOM 964 CA PHE A 366 -0.339 -6.765 1.282 1.00 0.16 C ATOM 965 C PHE A 366 -0.271 -6.483 -0.217 1.00 0.16 C ATOM 966 O PHE A 366 0.806 -6.521 -0.808 1.00 0.28 O ATOM 967 CB PHE A 366 0.052 -5.523 2.088 1.00 0.19 C ATOM 968 CG PHE A 366 -0.886 -4.363 1.925 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.161 -4.406 2.465 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.492 -3.227 1.239 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.024 -3.339 2.325 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.351 -2.157 1.094 1.00 0.29 C ATOM 973 CZ PHE A 366 -2.620 -2.212 1.637 1.00 0.30 C ATOM 0 H PHE A 366 1.467 -7.805 1.146 1.00 0.19 H new ATOM 0 HA PHE A 366 -1.362 -7.032 1.546 1.00 0.16 H new ATOM 0 HB2 PHE A 366 0.102 -5.790 3.144 1.00 0.19 H new ATOM 0 HB3 PHE A 366 1.053 -5.211 1.790 1.00 0.19 H new ATOM 0 HD1 PHE A 366 -2.483 -5.286 3.002 1.00 0.23 H new ATOM 0 HD2 PHE A 366 0.499 -3.178 0.812 1.00 0.25 H new ATOM 0 HE1 PHE A 366 -4.015 -3.385 2.753 1.00 0.28 H new ATOM 0 HE2 PHE A 366 -1.031 -1.277 0.556 1.00 0.29 H new ATOM 0 HZ PHE A 366 -3.294 -1.376 1.524 1.00 0.30 H new ATOM 983 N THR A 367 -1.414 -6.226 -0.835 1.00 0.17 N ATOM 984 CA THR A 367 -1.468 -6.018 -2.277 1.00 0.19 C ATOM 985 C THR A 367 -2.261 -4.763 -2.637 1.00 0.19 C ATOM 986 O THR A 367 -3.443 -4.659 -2.329 1.00 0.27 O ATOM 987 CB THR A 367 -2.101 -7.239 -2.978 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.344 -8.420 -2.676 1.00 0.34 O ATOM 989 CG2 THR A 367 -2.164 -7.040 -4.486 1.00 0.32 C ATOM 0 H THR A 367 -2.316 -6.156 -0.363 1.00 0.17 H new ATOM 0 HA THR A 367 -0.442 -5.889 -2.621 1.00 0.19 H new ATOM 0 HB THR A 367 -3.120 -7.351 -2.607 1.00 0.26 H new ATOM 0 HG1 THR A 367 -1.751 -9.192 -3.122 1.00 0.34 H new ATOM 0 HG21 THR A 367 -2.615 -7.917 -4.950 1.00 0.32 H new ATOM 0 HG22 THR A 367 -2.766 -6.160 -4.712 1.00 0.32 H new ATOM 0 HG23 THR A 367 -1.156 -6.900 -4.877 1.00 0.32 H new ATOM 997 N LEU A 368 -1.603 -3.814 -3.285 1.00 0.20 N ATOM 998 CA LEU A 368 -2.272 -2.612 -3.768 1.00 0.22 C ATOM 999 C LEU A 368 -2.613 -2.741 -5.249 1.00 0.23 C ATOM 1000 O LEU A 368 -1.801 -3.226 -6.038 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.386 -1.380 -3.552 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.314 -0.865 -2.115 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.269 0.232 -1.992 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -2.675 -0.349 -1.671 1.00 0.25 C ATOM 0 H LEU A 368 -0.604 -3.852 -3.490 1.00 0.20 H new ATOM 0 HA LEU A 368 -3.196 -2.492 -3.202 1.00 0.22 H new ATOM 0 HB2 LEU A 368 -0.376 -1.618 -3.885 1.00 0.24 H new ATOM 0 HB3 LEU A 368 -1.751 -0.575 -4.190 1.00 0.24 H new ATOM 0 HG LEU A 368 -1.024 -1.692 -1.467 1.00 0.25 H new ATOM 0 HD11 LEU A 368 -0.233 0.586 -0.962 1.00 0.29 H new ATOM 0 HD12 LEU A 368 0.707 -0.162 -2.275 1.00 0.29 H new ATOM 0 HD13 LEU A 368 -0.531 1.060 -2.651 1.00 0.29 H new ATOM 0 HD21 LEU A 368 -2.609 0.015 -0.646 1.00 0.25 H new ATOM 0 HD22 LEU A 368 -2.987 0.465 -2.326 1.00 0.25 H new ATOM 0 HD23 LEU A 368 -3.405 -1.157 -1.723 1.00 0.25 H new ATOM 1016 N ASP A 369 -3.821 -2.331 -5.611 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.227 -2.263 -7.011 1.00 0.24 C ATOM 1018 C ASP A 369 -4.670 -0.849 -7.354 1.00 0.21 C ATOM 1019 O ASP A 369 -5.447 -0.232 -6.618 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.355 -3.253 -7.313 1.00 0.31 C ATOM 1021 CG ASP A 369 -5.921 -3.080 -8.714 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -5.133 -2.873 -9.662 1.00 1.52 O ATOM 1023 OD2 ASP A 369 -7.155 -3.163 -8.874 1.00 1.47 O ATOM 0 H ASP A 369 -4.542 -2.039 -4.951 1.00 0.21 H new ATOM 0 HA ASP A 369 -3.368 -2.534 -7.625 1.00 0.24 H new ATOM 0 HB2 ASP A 369 -4.982 -4.271 -7.198 1.00 0.31 H new ATOM 0 HB3 ASP A 369 -6.154 -3.123 -6.583 1.00 0.31 H new ATOM 1028 N PHE A 370 -4.170 -0.340 -8.469 1.00 0.25 N ATOM 1029 CA PHE A 370 -4.434 1.033 -8.869 1.00 0.26 C ATOM 1030 C PHE A 370 -5.231 1.072 -10.163 1.00 0.31 C ATOM 1031 O PHE A 370 -5.450 2.142 -10.736 1.00 0.35 O ATOM 1032 CB PHE A 370 -3.115 1.791 -9.025 1.00 0.31 C ATOM 1033 CG PHE A 370 -2.265 1.740 -7.788 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.489 2.616 -6.739 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -1.250 0.802 -7.667 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -1.718 2.561 -5.595 1.00 0.41 C ATOM 1037 CE2 PHE A 370 -0.475 0.744 -6.527 1.00 0.42 C ATOM 1038 CZ PHE A 370 -0.710 1.622 -5.490 1.00 0.44 C ATOM 0 H PHE A 370 -3.577 -0.860 -9.115 1.00 0.25 H new ATOM 0 HA PHE A 370 -5.028 1.516 -8.094 1.00 0.26 H new ATOM 0 HB2 PHE A 370 -2.557 1.371 -9.862 1.00 0.31 H new ATOM 0 HB3 PHE A 370 -3.326 2.831 -9.273 1.00 0.31 H new ATOM 0 HD1 PHE A 370 -3.276 3.351 -6.817 1.00 0.35 H new ATOM 0 HD2 PHE A 370 -1.064 0.109 -8.474 1.00 0.37 H new ATOM 0 HE1 PHE A 370 -1.902 3.250 -4.784 1.00 0.41 H new ATOM 0 HE2 PHE A 370 0.315 0.012 -6.447 1.00 0.42 H new ATOM 0 HZ PHE A 370 -0.106 1.576 -4.596 1.00 0.44 H new ATOM 1048 N GLY A 371 -5.652 -0.102 -10.620 1.00 0.40 N ATOM 1049 CA GLY A 371 -6.506 -0.197 -11.788 1.00 0.50 C ATOM 1050 C GLY A 371 -5.886 0.384 -13.044 1.00 0.49 C ATOM 1051 O GLY A 371 -4.990 -0.214 -13.641 1.00 0.58 O ATOM 0 H GLY A 371 -5.413 -0.999 -10.196 1.00 0.40 H new ATOM 0 HA2 GLY A 371 -6.750 -1.245 -11.965 1.00 0.50 H new ATOM 0 HA3 GLY A 371 -7.444 0.319 -11.584 1.00 0.50 H new ATOM 1055 N ASP A 372 -6.354 1.561 -13.432 1.00 0.49 N ATOM 1056 CA ASP A 372 -5.960 2.175 -14.694 1.00 0.56 C ATOM 1057 C ASP A 372 -4.839 3.184 -14.502 1.00 0.55 C ATOM 1058 O ASP A 372 -4.482 3.906 -15.433 1.00 0.72 O ATOM 1059 CB ASP A 372 -7.156 2.869 -15.349 1.00 0.71 C ATOM 1060 CG ASP A 372 -8.255 1.901 -15.727 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -7.994 0.988 -16.537 1.00 1.89 O ATOM 1062 OD2 ASP A 372 -9.386 2.042 -15.211 1.00 2.38 O ATOM 0 H ASP A 372 -7.013 2.115 -12.886 1.00 0.49 H new ATOM 0 HA ASP A 372 -5.599 1.376 -15.341 1.00 0.56 H new ATOM 0 HB2 ASP A 372 -7.556 3.618 -14.665 1.00 0.71 H new ATOM 0 HB3 ASP A 372 -6.821 3.398 -16.241 1.00 0.71 H new ATOM 1067 N TYR A 373 -4.273 3.226 -13.307 1.00 0.52 N ATOM 1068 CA TYR A 373 -3.208 4.175 -13.017 1.00 0.51 C ATOM 1069 C TYR A 373 -1.860 3.597 -13.439 1.00 0.52 C ATOM 1070 O TYR A 373 -0.934 4.335 -13.783 1.00 0.60 O ATOM 1071 CB TYR A 373 -3.199 4.530 -11.527 1.00 0.50 C ATOM 1072 CG TYR A 373 -2.336 5.727 -11.188 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -2.749 7.013 -11.512 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -1.115 5.573 -10.543 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.972 8.112 -11.206 1.00 0.64 C ATOM 1076 CE2 TYR A 373 -0.330 6.669 -10.232 1.00 0.64 C ATOM 1077 CZ TYR A 373 -0.763 7.936 -10.567 1.00 0.67 C ATOM 1078 OH TYR A 373 0.014 9.031 -10.258 1.00 0.79 O ATOM 0 H TYR A 373 -4.529 2.620 -12.527 1.00 0.52 H new ATOM 0 HA TYR A 373 -3.388 5.088 -13.585 1.00 0.51 H new ATOM 0 HB2 TYR A 373 -4.221 4.728 -11.204 1.00 0.50 H new ATOM 0 HB3 TYR A 373 -2.847 3.668 -10.960 1.00 0.50 H new ATOM 0 HD1 TYR A 373 -3.695 7.156 -12.012 1.00 0.56 H new ATOM 0 HD2 TYR A 373 -0.774 4.583 -10.280 1.00 0.56 H new ATOM 0 HE1 TYR A 373 -2.309 9.105 -11.466 1.00 0.64 H new ATOM 0 HE2 TYR A 373 0.617 6.534 -9.730 1.00 0.64 H new ATOM 0 HH TYR A 373 0.833 8.735 -9.809 1.00 0.79 H new ATOM 1088 N GLN A 374 -1.762 2.274 -13.427 1.00 0.53 N ATOM 1089 CA GLN A 374 -0.556 1.580 -13.860 1.00 0.59 C ATOM 1090 C GLN A 374 -0.833 0.092 -14.006 1.00 0.60 C ATOM 1091 O GLN A 374 -1.820 -0.414 -13.472 1.00 0.59 O ATOM 1092 CB GLN A 374 0.601 1.805 -12.879 1.00 0.63 C ATOM 1093 CG GLN A 374 0.276 1.448 -11.435 1.00 0.59 C ATOM 1094 CD GLN A 374 1.491 1.521 -10.530 1.00 0.69 C ATOM 1095 OE1 GLN A 374 1.385 1.855 -9.354 1.00 1.09 O ATOM 1096 NE2 GLN A 374 2.652 1.182 -11.067 1.00 0.85 N ATOM 0 H GLN A 374 -2.512 1.655 -13.119 1.00 0.53 H new ATOM 0 HA GLN A 374 -0.262 1.989 -14.827 1.00 0.59 H new ATOM 0 HB2 GLN A 374 1.457 1.214 -13.203 1.00 0.63 H new ATOM 0 HB3 GLN A 374 0.901 2.852 -12.923 1.00 0.63 H new ATOM 0 HG2 GLN A 374 -0.492 2.125 -11.061 1.00 0.59 H new ATOM 0 HG3 GLN A 374 -0.140 0.441 -11.398 1.00 0.59 H new ATOM 0 HE21 GLN A 374 2.700 0.910 -12.049 1.00 0.85 H new ATOM 0 HE22 GLN A 374 3.499 1.193 -10.499 1.00 0.85 H new ATOM 1105 N ASP A 375 0.030 -0.600 -14.733 1.00 0.74 N ATOM 1106 CA ASP A 375 -0.127 -2.032 -14.937 1.00 0.78 C ATOM 1107 C ASP A 375 0.498 -2.820 -13.796 1.00 0.64 C ATOM 1108 O ASP A 375 1.601 -2.506 -13.341 1.00 0.73 O ATOM 1109 CB ASP A 375 0.501 -2.466 -16.263 1.00 1.06 C ATOM 1110 CG ASP A 375 0.544 -3.974 -16.409 1.00 1.71 C ATOM 1111 OD1 ASP A 375 -0.527 -4.590 -16.593 1.00 2.21 O ATOM 1112 OD2 ASP A 375 1.649 -4.552 -16.339 1.00 2.30 O ATOM 0 H ASP A 375 0.846 -0.194 -15.191 1.00 0.74 H new ATOM 0 HA ASP A 375 -1.196 -2.242 -14.964 1.00 0.78 H new ATOM 0 HB2 ASP A 375 -0.067 -2.039 -17.089 1.00 1.06 H new ATOM 0 HB3 ASP A 375 1.513 -2.067 -16.332 1.00 1.06 H new ATOM 1117 N GLY A 376 -0.216 -3.833 -13.336 1.00 0.57 N ATOM 1118 CA GLY A 376 0.312 -4.706 -12.313 1.00 0.53 C ATOM 1119 C GLY A 376 -0.118 -4.295 -10.926 1.00 0.52 C ATOM 1120 O GLY A 376 -0.628 -3.191 -10.723 1.00 0.70 O ATOM 0 H GLY A 376 -1.156 -4.067 -13.655 1.00 0.57 H new ATOM 0 HA2 GLY A 376 -0.018 -5.727 -12.505 1.00 0.53 H new ATOM 0 HA3 GLY A 376 1.401 -4.707 -12.367 1.00 0.53 H new ATOM 1124 N TYR A 377 0.075 -5.186 -9.972 1.00 0.46 N ATOM 1125 CA TYR A 377 -0.251 -4.897 -8.589 1.00 0.46 C ATOM 1126 C TYR A 377 0.982 -4.403 -7.853 1.00 0.37 C ATOM 1127 O TYR A 377 2.079 -4.342 -8.413 1.00 0.38 O ATOM 1128 CB TYR A 377 -0.770 -6.146 -7.872 1.00 0.53 C ATOM 1129 CG TYR A 377 -2.057 -6.716 -8.423 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -3.248 -6.008 -8.336 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -2.083 -7.978 -8.998 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -4.430 -6.544 -8.811 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -3.259 -8.518 -9.479 1.00 0.76 C ATOM 1134 CZ TYR A 377 -4.430 -7.798 -9.382 1.00 0.91 C ATOM 1135 OH TYR A 377 -5.606 -8.343 -9.846 1.00 1.06 O ATOM 0 H TYR A 377 0.457 -6.118 -10.130 1.00 0.46 H new ATOM 0 HA TYR A 377 -1.026 -4.131 -8.588 1.00 0.46 H new ATOM 0 HB2 TYR A 377 -0.001 -6.917 -7.917 1.00 0.53 H new ATOM 0 HB3 TYR A 377 -0.919 -5.906 -6.819 1.00 0.53 H new ATOM 0 HD1 TYR A 377 -3.251 -5.024 -7.891 1.00 0.83 H new ATOM 0 HD2 TYR A 377 -1.168 -8.548 -9.071 1.00 0.64 H new ATOM 0 HE1 TYR A 377 -5.349 -5.983 -8.735 1.00 0.97 H new ATOM 0 HE2 TYR A 377 -3.261 -9.500 -9.929 1.00 0.76 H new ATOM 0 HH TYR A 377 -5.430 -9.232 -10.220 1.00 1.06 H new ATOM 1145 N TYR A 378 0.794 -4.057 -6.597 1.00 0.32 N ATOM 1146 CA TYR A 378 1.902 -3.805 -5.702 1.00 0.29 C ATOM 1147 C TYR A 378 1.782 -4.740 -4.507 1.00 0.24 C ATOM 1148 O TYR A 378 1.153 -4.408 -3.500 1.00 0.26 O ATOM 1149 CB TYR A 378 1.932 -2.340 -5.255 1.00 0.31 C ATOM 1150 CG TYR A 378 3.065 -2.017 -4.304 1.00 0.32 C ATOM 1151 CD1 TYR A 378 4.384 -2.286 -4.648 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.813 -1.447 -3.062 1.00 0.37 C ATOM 1153 CE1 TYR A 378 5.419 -1.998 -3.779 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.843 -1.154 -2.190 1.00 0.40 C ATOM 1155 CZ TYR A 378 5.144 -1.433 -2.552 1.00 0.41 C ATOM 1156 OH TYR A 378 6.172 -1.146 -1.683 1.00 0.47 O ATOM 0 H TYR A 378 -0.125 -3.943 -6.170 1.00 0.32 H new ATOM 0 HA TYR A 378 2.840 -3.996 -6.223 1.00 0.29 H new ATOM 0 HB2 TYR A 378 2.015 -1.702 -6.135 1.00 0.31 H new ATOM 0 HB3 TYR A 378 0.985 -2.097 -4.774 1.00 0.31 H new ATOM 0 HD1 TYR A 378 4.604 -2.727 -5.609 1.00 0.36 H new ATOM 0 HD2 TYR A 378 1.795 -1.230 -2.774 1.00 0.37 H new ATOM 0 HE1 TYR A 378 6.439 -2.215 -4.060 1.00 0.41 H new ATOM 0 HE2 TYR A 378 3.631 -0.709 -1.229 1.00 0.40 H new ATOM 0 HH TYR A 378 7.026 -1.401 -2.091 1.00 0.47 H new ATOM 1166 N SER A 379 2.327 -5.936 -4.657 1.00 0.26 N ATOM 1167 CA SER A 379 2.251 -6.940 -3.617 1.00 0.27 C ATOM 1168 C SER A 379 3.555 -7.015 -2.835 1.00 0.24 C ATOM 1169 O SER A 379 4.617 -7.322 -3.384 1.00 0.29 O ATOM 1170 CB SER A 379 1.901 -8.301 -4.224 1.00 0.36 C ATOM 1171 OG SER A 379 2.652 -8.553 -5.403 1.00 1.06 O ATOM 0 H SER A 379 2.828 -6.233 -5.494 1.00 0.26 H new ATOM 0 HA SER A 379 1.462 -6.656 -2.920 1.00 0.27 H new ATOM 0 HB2 SER A 379 2.094 -9.087 -3.494 1.00 0.36 H new ATOM 0 HB3 SER A 379 0.836 -8.335 -4.455 1.00 0.36 H new ATOM 0 HG SER A 379 3.584 -8.287 -5.260 1.00 1.06 H new ATOM 1177 N VAL A 380 3.462 -6.731 -1.550 1.00 0.22 N ATOM 1178 CA VAL A 380 4.608 -6.781 -0.667 1.00 0.24 C ATOM 1179 C VAL A 380 4.360 -7.769 0.456 1.00 0.23 C ATOM 1180 O VAL A 380 3.230 -7.921 0.924 1.00 0.30 O ATOM 1181 CB VAL A 380 4.934 -5.398 -0.066 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.459 -4.464 -1.139 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.709 -4.794 0.611 1.00 0.29 C ATOM 0 H VAL A 380 2.592 -6.460 -1.091 1.00 0.22 H new ATOM 0 HA VAL A 380 5.462 -7.102 -1.264 1.00 0.24 H new ATOM 0 HB VAL A 380 5.708 -5.532 0.690 1.00 0.27 H new ATOM 0 HG11 VAL A 380 5.684 -3.493 -0.698 1.00 0.33 H new ATOM 0 HG12 VAL A 380 6.366 -4.883 -1.575 1.00 0.33 H new ATOM 0 HG13 VAL A 380 4.705 -4.343 -1.917 1.00 0.33 H new ATOM 0 HG21 VAL A 380 3.966 -3.820 1.026 1.00 0.29 H new ATOM 0 HG22 VAL A 380 2.909 -4.677 -0.121 1.00 0.29 H new ATOM 0 HG23 VAL A 380 3.374 -5.453 1.412 1.00 0.29 H new ATOM 1193 N GLN A 381 5.408 -8.447 0.872 1.00 0.22 N ATOM 1194 CA GLN A 381 5.303 -9.402 1.955 1.00 0.24 C ATOM 1195 C GLN A 381 5.370 -8.678 3.291 1.00 0.24 C ATOM 1196 O GLN A 381 6.341 -7.974 3.578 1.00 0.32 O ATOM 1197 CB GLN A 381 6.414 -10.443 1.847 1.00 0.34 C ATOM 1198 CG GLN A 381 6.337 -11.528 2.902 1.00 0.43 C ATOM 1199 CD GLN A 381 7.346 -12.629 2.666 1.00 0.72 C ATOM 1200 OE1 GLN A 381 8.476 -12.563 3.146 1.00 1.47 O ATOM 1201 NE2 GLN A 381 6.938 -13.652 1.939 1.00 0.94 N ATOM 0 H GLN A 381 6.344 -8.355 0.476 1.00 0.22 H new ATOM 0 HA GLN A 381 4.345 -9.917 1.887 1.00 0.24 H new ATOM 0 HB2 GLN A 381 6.373 -10.904 0.860 1.00 0.34 H new ATOM 0 HB3 GLN A 381 7.379 -9.941 1.924 1.00 0.34 H new ATOM 0 HG2 GLN A 381 6.505 -11.089 3.885 1.00 0.43 H new ATOM 0 HG3 GLN A 381 5.333 -11.953 2.910 1.00 0.43 H new ATOM 0 HE21 GLN A 381 5.991 -13.663 1.561 1.00 0.94 H new ATOM 0 HE22 GLN A 381 7.570 -14.431 1.755 1.00 0.94 H new ATOM 1210 N THR A 382 4.324 -8.833 4.088 1.00 0.21 N ATOM 1211 CA THR A 382 4.236 -8.169 5.376 1.00 0.26 C ATOM 1212 C THR A 382 3.113 -8.764 6.217 1.00 0.25 C ATOM 1213 O THR A 382 2.005 -8.994 5.729 1.00 0.30 O ATOM 1214 CB THR A 382 4.015 -6.645 5.220 1.00 0.30 C ATOM 1215 OG1 THR A 382 3.745 -6.050 6.497 1.00 0.42 O ATOM 1216 CG2 THR A 382 2.867 -6.343 4.267 1.00 0.28 C ATOM 0 H THR A 382 3.519 -9.418 3.862 1.00 0.21 H new ATOM 0 HA THR A 382 5.188 -8.328 5.883 1.00 0.26 H new ATOM 0 HB THR A 382 4.928 -6.221 4.803 1.00 0.30 H new ATOM 0 HG1 THR A 382 3.609 -5.086 6.386 1.00 0.42 H new ATOM 0 HG21 THR A 382 2.740 -5.264 4.181 1.00 0.28 H new ATOM 0 HG22 THR A 382 3.089 -6.762 3.285 1.00 0.28 H new ATOM 0 HG23 THR A 382 1.949 -6.787 4.651 1.00 0.28 H new ATOM 1224 N THR A 383 3.412 -9.022 7.479 1.00 0.31 N ATOM 1225 CA THR A 383 2.415 -9.512 8.414 1.00 0.37 C ATOM 1226 C THR A 383 1.568 -8.354 8.930 1.00 0.36 C ATOM 1227 O THR A 383 0.487 -8.546 9.492 1.00 0.46 O ATOM 1228 CB THR A 383 3.081 -10.242 9.596 1.00 0.50 C ATOM 1229 OG1 THR A 383 4.121 -9.428 10.159 1.00 0.55 O ATOM 1230 CG2 THR A 383 3.666 -11.575 9.153 1.00 0.55 C ATOM 0 H THR A 383 4.342 -8.899 7.880 1.00 0.31 H new ATOM 0 HA THR A 383 1.774 -10.221 7.889 1.00 0.37 H new ATOM 0 HB THR A 383 2.316 -10.428 10.350 1.00 0.50 H new ATOM 0 HG1 THR A 383 4.536 -9.901 10.910 1.00 0.55 H new ATOM 0 HG21 THR A 383 4.130 -12.070 10.006 1.00 0.55 H new ATOM 0 HG22 THR A 383 2.872 -12.207 8.755 1.00 0.55 H new ATOM 0 HG23 THR A 383 4.416 -11.405 8.380 1.00 0.55 H new ATOM 1238 N GLU A 384 2.062 -7.145 8.692 1.00 0.31 N ATOM 1239 CA GLU A 384 1.418 -5.929 9.161 1.00 0.35 C ATOM 1240 C GLU A 384 0.548 -5.334 8.056 1.00 0.28 C ATOM 1241 O GLU A 384 0.105 -4.188 8.147 1.00 0.27 O ATOM 1242 CB GLU A 384 2.491 -4.924 9.586 1.00 0.46 C ATOM 1243 CG GLU A 384 3.457 -5.481 10.622 1.00 0.57 C ATOM 1244 CD GLU A 384 4.725 -4.663 10.742 1.00 0.90 C ATOM 1245 OE1 GLU A 384 5.621 -4.820 9.884 1.00 0.95 O ATOM 1246 OE2 GLU A 384 4.842 -3.867 11.698 1.00 1.39 O ATOM 0 H GLU A 384 2.922 -6.982 8.168 1.00 0.31 H new ATOM 0 HA GLU A 384 0.780 -6.162 10.014 1.00 0.35 H new ATOM 0 HB2 GLU A 384 3.053 -4.609 8.707 1.00 0.46 H new ATOM 0 HB3 GLU A 384 2.007 -4.035 9.991 1.00 0.46 H new ATOM 0 HG2 GLU A 384 2.961 -5.518 11.592 1.00 0.57 H new ATOM 0 HG3 GLU A 384 3.715 -6.506 10.357 1.00 0.57 H new ATOM 1253 N GLY A 385 0.298 -6.132 7.017 1.00 0.27 N ATOM 1254 CA GLY A 385 -0.486 -5.678 5.879 1.00 0.27 C ATOM 1255 C GLY A 385 -1.870 -5.200 6.269 1.00 0.26 C ATOM 1256 O GLY A 385 -2.375 -4.219 5.716 1.00 0.27 O ATOM 0 H GLY A 385 0.629 -7.094 6.945 1.00 0.27 H new ATOM 0 HA2 GLY A 385 0.045 -4.868 5.378 1.00 0.27 H new ATOM 0 HA3 GLY A 385 -0.578 -6.492 5.160 1.00 0.27 H new ATOM 1260 N GLU A 386 -2.485 -5.886 7.223 1.00 0.30 N ATOM 1261 CA GLU A 386 -3.806 -5.505 7.708 1.00 0.35 C ATOM 1262 C GLU A 386 -3.763 -4.127 8.363 1.00 0.31 C ATOM 1263 O GLU A 386 -4.676 -3.318 8.190 1.00 0.36 O ATOM 1264 CB GLU A 386 -4.332 -6.552 8.691 1.00 0.44 C ATOM 1265 CG GLU A 386 -5.657 -6.177 9.337 1.00 0.53 C ATOM 1266 CD GLU A 386 -6.246 -7.307 10.148 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -5.615 -7.726 11.140 1.00 2.28 O ATOM 1268 OE2 GLU A 386 -7.336 -7.795 9.787 1.00 1.77 O ATOM 0 H GLU A 386 -2.091 -6.710 7.677 1.00 0.30 H new ATOM 0 HA GLU A 386 -4.486 -5.455 6.857 1.00 0.35 H new ATOM 0 HB2 GLU A 386 -4.449 -7.501 8.168 1.00 0.44 H new ATOM 0 HB3 GLU A 386 -3.589 -6.708 9.473 1.00 0.44 H new ATOM 0 HG2 GLU A 386 -5.511 -5.310 9.981 1.00 0.53 H new ATOM 0 HG3 GLU A 386 -6.365 -5.883 8.562 1.00 0.53 H new ATOM 1275 N GLN A 387 -2.684 -3.860 9.092 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.495 -2.567 9.743 1.00 0.30 C ATOM 1277 C GLN A 387 -2.438 -1.459 8.699 1.00 0.27 C ATOM 1278 O GLN A 387 -3.026 -0.390 8.877 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.208 -2.569 10.570 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.181 -3.632 11.655 1.00 0.45 C ATOM 1281 CD GLN A 387 0.129 -3.649 12.415 1.00 1.13 C ATOM 1282 OE1 GLN A 387 0.789 -2.620 12.570 1.00 2.27 O ATOM 1283 NE2 GLN A 387 0.522 -4.818 12.891 1.00 0.83 N ATOM 0 H GLN A 387 -1.925 -4.523 9.247 1.00 0.29 H new ATOM 0 HA GLN A 387 -3.339 -2.387 10.409 1.00 0.30 H new ATOM 0 HB2 GLN A 387 -0.359 -2.721 9.904 1.00 0.35 H new ATOM 0 HB3 GLN A 387 -1.081 -1.589 11.030 1.00 0.35 H new ATOM 0 HG2 GLN A 387 -2.000 -3.456 12.352 1.00 0.45 H new ATOM 0 HG3 GLN A 387 -1.350 -4.610 11.205 1.00 0.45 H new ATOM 0 HE21 GLN A 387 -0.052 -5.648 12.742 1.00 0.83 H new ATOM 0 HE22 GLN A 387 1.399 -4.890 13.407 1.00 0.83 H new ATOM 1292 N ILE A 388 -1.738 -1.734 7.605 1.00 0.24 N ATOM 1293 CA ILE A 388 -1.635 -0.794 6.496 1.00 0.23 C ATOM 1294 C ILE A 388 -3.018 -0.505 5.920 1.00 0.22 C ATOM 1295 O ILE A 388 -3.417 0.652 5.770 1.00 0.22 O ATOM 1296 CB ILE A 388 -0.733 -1.348 5.371 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.619 -1.790 5.937 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.540 -0.302 4.280 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.519 -2.457 4.918 1.00 0.29 C ATOM 0 H ILE A 388 -1.230 -2.607 7.462 1.00 0.24 H new ATOM 0 HA ILE A 388 -1.192 0.123 6.884 1.00 0.23 H new ATOM 0 HB ILE A 388 -1.222 -2.217 4.932 1.00 0.23 H new ATOM 0 HG12 ILE A 388 1.132 -0.921 6.348 1.00 0.27 H new ATOM 0 HG13 ILE A 388 0.448 -2.479 6.764 1.00 0.27 H new ATOM 0 HG21 ILE A 388 0.098 -0.708 3.495 1.00 0.24 H new ATOM 0 HG22 ILE A 388 -1.508 -0.034 3.858 1.00 0.24 H new ATOM 0 HG23 ILE A 388 -0.071 0.585 4.705 1.00 0.24 H new ATOM 0 HD11 ILE A 388 2.458 -2.742 5.393 1.00 0.29 H new ATOM 0 HD12 ILE A 388 1.027 -3.346 4.525 1.00 0.29 H new ATOM 0 HD13 ILE A 388 1.721 -1.763 4.102 1.00 0.29 H new ATOM 1311 N ALA A 389 -3.748 -1.574 5.622 1.00 0.22 N ATOM 1312 CA ALA A 389 -5.077 -1.470 5.036 1.00 0.24 C ATOM 1313 C ALA A 389 -6.026 -0.676 5.927 1.00 0.22 C ATOM 1314 O ALA A 389 -6.751 0.202 5.456 1.00 0.23 O ATOM 1315 CB ALA A 389 -5.642 -2.856 4.788 1.00 0.28 C ATOM 0 H ALA A 389 -3.436 -2.532 5.779 1.00 0.22 H new ATOM 0 HA ALA A 389 -4.983 -0.937 4.090 1.00 0.24 H new ATOM 0 HB1 ALA A 389 -6.636 -2.771 4.350 1.00 0.28 H new ATOM 0 HB2 ALA A 389 -4.989 -3.398 4.104 1.00 0.28 H new ATOM 0 HB3 ALA A 389 -5.707 -3.397 5.732 1.00 0.28 H new ATOM 1321 N GLN A 390 -6.009 -0.987 7.217 1.00 0.22 N ATOM 1322 CA GLN A 390 -6.895 -0.342 8.177 1.00 0.25 C ATOM 1323 C GLN A 390 -6.575 1.145 8.288 1.00 0.21 C ATOM 1324 O GLN A 390 -7.466 1.974 8.483 1.00 0.23 O ATOM 1325 CB GLN A 390 -6.763 -1.008 9.546 1.00 0.34 C ATOM 1326 CG GLN A 390 -7.851 -0.610 10.531 1.00 0.50 C ATOM 1327 CD GLN A 390 -7.585 -1.127 11.930 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -6.435 -1.247 12.351 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -8.643 -1.443 12.657 1.00 1.61 N ATOM 0 H GLN A 390 -5.388 -1.686 7.624 1.00 0.22 H new ATOM 0 HA GLN A 390 -7.921 -0.451 7.826 1.00 0.25 H new ATOM 0 HB2 GLN A 390 -6.782 -2.090 9.416 1.00 0.34 H new ATOM 0 HB3 GLN A 390 -5.792 -0.755 9.970 1.00 0.34 H new ATOM 0 HG2 GLN A 390 -7.932 0.477 10.558 1.00 0.50 H new ATOM 0 HG3 GLN A 390 -8.810 -0.993 10.182 1.00 0.50 H new ATOM 0 HE21 GLN A 390 -9.580 -1.329 12.271 1.00 1.61 H new ATOM 0 HE22 GLN A 390 -8.522 -1.801 13.604 1.00 1.61 H new ATOM 1338 N LEU A 391 -5.301 1.480 8.151 1.00 0.21 N ATOM 1339 CA LEU A 391 -4.863 2.864 8.250 1.00 0.22 C ATOM 1340 C LEU A 391 -5.313 3.652 7.023 1.00 0.20 C ATOM 1341 O LEU A 391 -5.839 4.761 7.146 1.00 0.22 O ATOM 1342 CB LEU A 391 -3.345 2.931 8.399 1.00 0.26 C ATOM 1343 CG LEU A 391 -2.795 4.311 8.759 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -3.320 4.757 10.116 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -1.277 4.292 8.758 1.00 0.63 C ATOM 0 H LEU A 391 -4.552 0.812 7.971 1.00 0.21 H new ATOM 0 HA LEU A 391 -5.318 3.310 9.134 1.00 0.22 H new ATOM 0 HB2 LEU A 391 -3.038 2.222 9.168 1.00 0.26 H new ATOM 0 HB3 LEU A 391 -2.888 2.606 7.464 1.00 0.26 H new ATOM 0 HG LEU A 391 -3.133 5.024 8.008 1.00 0.27 H new ATOM 0 HD11 LEU A 391 -2.918 5.741 10.356 1.00 0.60 H new ATOM 0 HD12 LEU A 391 -4.408 4.807 10.087 1.00 0.60 H new ATOM 0 HD13 LEU A 391 -3.010 4.043 10.879 1.00 0.60 H new ATOM 0 HD21 LEU A 391 -0.901 5.282 9.016 1.00 0.63 H new ATOM 0 HD22 LEU A 391 -0.922 3.566 9.490 1.00 0.63 H new ATOM 0 HD23 LEU A 391 -0.917 4.014 7.767 1.00 0.63 H new ATOM 1357 N ILE A 392 -5.118 3.067 5.844 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.562 3.682 4.597 1.00 0.17 C ATOM 1359 C ILE A 392 -7.070 3.910 4.629 1.00 0.17 C ATOM 1360 O ILE A 392 -7.552 5.011 4.358 1.00 0.19 O ATOM 1361 CB ILE A 392 -5.201 2.810 3.370 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.682 2.648 3.260 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.768 3.415 2.090 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -3.245 1.737 2.130 1.00 0.21 C ATOM 0 H ILE A 392 -4.654 2.166 5.726 1.00 0.18 H new ATOM 0 HA ILE A 392 -5.046 4.637 4.502 1.00 0.17 H new ATOM 0 HB ILE A 392 -5.647 1.825 3.507 1.00 0.17 H new ATOM 0 HG12 ILE A 392 -3.230 3.630 3.118 1.00 0.19 H new ATOM 0 HG13 ILE A 392 -3.299 2.254 4.201 1.00 0.19 H new ATOM 0 HG21 ILE A 392 -5.502 2.785 1.241 1.00 0.19 H new ATOM 0 HG22 ILE A 392 -6.853 3.480 2.168 1.00 0.19 H new ATOM 0 HG23 ILE A 392 -5.355 4.413 1.945 1.00 0.19 H new ATOM 0 HD11 ILE A 392 -2.157 1.672 2.115 1.00 0.21 H new ATOM 0 HD12 ILE A 392 -3.666 0.743 2.280 1.00 0.21 H new ATOM 0 HD13 ILE A 392 -3.597 2.140 1.181 1.00 0.21 H new ATOM 1376 N ALA A 393 -7.806 2.866 4.997 1.00 0.18 N ATOM 1377 CA ALA A 393 -9.258 2.940 5.076 1.00 0.21 C ATOM 1378 C ALA A 393 -9.699 3.967 6.115 1.00 0.23 C ATOM 1379 O ALA A 393 -10.756 4.582 5.978 1.00 0.29 O ATOM 1380 CB ALA A 393 -9.841 1.573 5.401 1.00 0.24 C ATOM 0 H ALA A 393 -7.418 1.956 5.246 1.00 0.18 H new ATOM 0 HA ALA A 393 -9.634 3.260 4.104 1.00 0.21 H new ATOM 0 HB1 ALA A 393 -10.927 1.645 5.457 1.00 0.24 H new ATOM 0 HB2 ALA A 393 -9.564 0.864 4.621 1.00 0.24 H new ATOM 0 HB3 ALA A 393 -9.450 1.229 6.359 1.00 0.24 H new ATOM 1386 N GLY A 394 -8.883 4.151 7.146 1.00 0.23 N ATOM 1387 CA GLY A 394 -9.197 5.106 8.190 1.00 0.27 C ATOM 1388 C GLY A 394 -9.128 6.539 7.702 1.00 0.28 C ATOM 1389 O GLY A 394 -10.057 7.322 7.917 1.00 0.35 O ATOM 0 H GLY A 394 -8.003 3.651 7.277 1.00 0.23 H new ATOM 0 HA2 GLY A 394 -10.197 4.904 8.575 1.00 0.27 H new ATOM 0 HA3 GLY A 394 -8.503 4.974 9.020 1.00 0.27 H new ATOM 1393 N TYR A 395 -8.038 6.885 7.029 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.863 8.238 6.514 1.00 0.30 C ATOM 1395 C TYR A 395 -8.803 8.501 5.343 1.00 0.30 C ATOM 1396 O TYR A 395 -9.307 9.612 5.178 1.00 0.36 O ATOM 1397 CB TYR A 395 -6.409 8.478 6.099 1.00 0.31 C ATOM 1398 CG TYR A 395 -5.440 8.469 7.263 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -5.766 9.088 8.465 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -4.205 7.842 7.163 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -4.888 9.085 9.530 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -3.320 7.835 8.226 1.00 0.51 C ATOM 1403 CZ TYR A 395 -3.667 8.456 9.406 1.00 0.58 C ATOM 1404 OH TYR A 395 -2.795 8.449 10.472 1.00 0.70 O ATOM 0 H TYR A 395 -7.265 6.251 6.827 1.00 0.27 H new ATOM 0 HA TYR A 395 -8.111 8.936 7.314 1.00 0.30 H new ATOM 0 HB2 TYR A 395 -6.112 7.711 5.383 1.00 0.31 H new ATOM 0 HB3 TYR A 395 -6.339 9.437 5.586 1.00 0.31 H new ATOM 0 HD1 TYR A 395 -6.722 9.579 8.567 1.00 0.48 H new ATOM 0 HD2 TYR A 395 -3.931 7.352 6.240 1.00 0.41 H new ATOM 0 HE1 TYR A 395 -5.156 9.573 10.456 1.00 0.58 H new ATOM 0 HE2 TYR A 395 -2.362 7.345 8.132 1.00 0.51 H new ATOM 0 HH TYR A 395 -1.980 7.965 10.225 1.00 0.70 H new ATOM 1414 N ILE A 396 -9.044 7.471 4.545 1.00 0.27 N ATOM 1415 CA ILE A 396 -9.992 7.557 3.441 1.00 0.31 C ATOM 1416 C ILE A 396 -11.407 7.788 3.961 1.00 0.37 C ATOM 1417 O ILE A 396 -12.181 8.541 3.371 1.00 0.45 O ATOM 1418 CB ILE A 396 -9.926 6.284 2.561 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -8.705 6.364 1.642 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -11.211 6.072 1.764 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -8.499 5.135 0.789 1.00 0.42 C ATOM 0 H ILE A 396 -8.594 6.561 4.642 1.00 0.27 H new ATOM 0 HA ILE A 396 -9.717 8.410 2.821 1.00 0.31 H new ATOM 0 HB ILE A 396 -9.824 5.417 3.214 1.00 0.33 H new ATOM 0 HG12 ILE A 396 -8.809 7.232 0.991 1.00 0.34 H new ATOM 0 HG13 ILE A 396 -7.815 6.526 2.250 1.00 0.34 H new ATOM 0 HG21 ILE A 396 -11.120 5.168 1.161 1.00 0.38 H new ATOM 0 HG22 ILE A 396 -12.052 5.968 2.450 1.00 0.38 H new ATOM 0 HG23 ILE A 396 -11.380 6.928 1.111 1.00 0.38 H new ATOM 0 HD11 ILE A 396 -7.615 5.269 0.166 1.00 0.42 H new ATOM 0 HD12 ILE A 396 -8.362 4.265 1.431 1.00 0.42 H new ATOM 0 HD13 ILE A 396 -9.371 4.983 0.153 1.00 0.42 H new ATOM 1433 N ASP A 397 -11.719 7.170 5.094 1.00 0.38 N ATOM 1434 CA ASP A 397 -13.024 7.325 5.734 1.00 0.47 C ATOM 1435 C ASP A 397 -13.295 8.789 6.079 1.00 0.51 C ATOM 1436 O ASP A 397 -14.437 9.242 6.056 1.00 0.63 O ATOM 1437 CB ASP A 397 -13.083 6.470 7.002 1.00 0.52 C ATOM 1438 CG ASP A 397 -14.389 6.615 7.753 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -15.376 5.951 7.368 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -14.426 7.374 8.746 1.00 0.99 O ATOM 0 H ASP A 397 -11.081 6.551 5.594 1.00 0.38 H new ATOM 0 HA ASP A 397 -13.792 6.993 5.035 1.00 0.47 H new ATOM 0 HB2 ASP A 397 -12.938 5.423 6.735 1.00 0.52 H new ATOM 0 HB3 ASP A 397 -12.259 6.748 7.660 1.00 0.52 H new ATOM 1445 N ILE A 398 -12.232 9.524 6.378 1.00 0.47 N ATOM 1446 CA ILE A 398 -12.340 10.941 6.716 1.00 0.53 C ATOM 1447 C ILE A 398 -12.733 11.767 5.489 1.00 0.55 C ATOM 1448 O ILE A 398 -13.523 12.709 5.581 1.00 0.65 O ATOM 1449 CB ILE A 398 -11.007 11.476 7.288 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -10.600 10.670 8.525 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -11.120 12.955 7.630 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -9.260 11.074 9.104 1.00 0.81 C ATOM 0 H ILE A 398 -11.279 9.161 6.394 1.00 0.47 H new ATOM 0 HA ILE A 398 -13.117 11.037 7.474 1.00 0.53 H new ATOM 0 HB ILE A 398 -10.236 11.362 6.526 1.00 0.54 H new ATOM 0 HG12 ILE A 398 -11.366 10.786 9.291 1.00 0.57 H new ATOM 0 HG13 ILE A 398 -10.568 9.612 8.264 1.00 0.57 H new ATOM 0 HG21 ILE A 398 -10.170 13.309 8.031 1.00 0.62 H new ATOM 0 HG22 ILE A 398 -11.367 13.519 6.730 1.00 0.62 H new ATOM 0 HG23 ILE A 398 -11.904 13.098 8.374 1.00 0.62 H new ATOM 0 HD11 ILE A 398 -9.041 10.459 9.977 1.00 0.81 H new ATOM 0 HD12 ILE A 398 -8.482 10.931 8.354 1.00 0.81 H new ATOM 0 HD13 ILE A 398 -9.292 12.123 9.398 1.00 0.81 H new ATOM 1464 N ILE A 399 -12.189 11.389 4.338 1.00 0.50 N ATOM 1465 CA ILE A 399 -12.423 12.115 3.092 1.00 0.52 C ATOM 1466 C ILE A 399 -13.829 11.838 2.557 1.00 0.59 C ATOM 1467 O ILE A 399 -14.380 12.614 1.775 1.00 0.72 O ATOM 1468 CB ILE A 399 -11.379 11.715 2.019 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -9.962 11.812 2.594 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -11.509 12.598 0.781 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -8.884 11.319 1.652 1.00 0.48 C ATOM 0 H ILE A 399 -11.578 10.578 4.240 1.00 0.50 H new ATOM 0 HA ILE A 399 -12.326 13.179 3.307 1.00 0.52 H new ATOM 0 HB ILE A 399 -11.569 10.683 1.725 1.00 0.47 H new ATOM 0 HG12 ILE A 399 -9.756 12.850 2.855 1.00 0.47 H new ATOM 0 HG13 ILE A 399 -9.915 11.236 3.518 1.00 0.47 H new ATOM 0 HG21 ILE A 399 -10.766 12.299 0.041 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -12.507 12.487 0.358 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -11.346 13.640 1.058 1.00 0.50 H new ATOM 0 HD11 ILE A 399 -7.909 11.420 2.130 1.00 0.48 H new ATOM 0 HD12 ILE A 399 -9.063 10.271 1.410 1.00 0.48 H new ATOM 0 HD13 ILE A 399 -8.902 11.911 0.737 1.00 0.48 H new ATOM 1603 N TRP B 374 -10.262 -8.119 0.034 1.00 1.08 N ATOM 1604 CA TRP B 374 -10.265 -7.058 -0.958 1.00 0.61 C ATOM 1605 C TRP B 374 -11.152 -5.920 -0.495 1.00 0.55 C ATOM 1606 O TRP B 374 -12.340 -6.105 -0.231 1.00 0.90 O ATOM 1607 CB TRP B 374 -10.732 -7.590 -2.313 1.00 0.88 C ATOM 1608 CG TRP B 374 -9.772 -8.569 -2.924 1.00 0.97 C ATOM 1609 CD1 TRP B 374 -9.772 -9.927 -2.766 1.00 1.38 C ATOM 1610 CD2 TRP B 374 -8.665 -8.265 -3.783 1.00 0.81 C ATOM 1611 NE1 TRP B 374 -8.739 -10.484 -3.481 1.00 1.42 N ATOM 1612 CE2 TRP B 374 -8.045 -9.486 -4.112 1.00 1.02 C ATOM 1613 CE3 TRP B 374 -8.138 -7.081 -4.310 1.00 0.85 C ATOM 1614 CZ2 TRP B 374 -6.929 -9.556 -4.941 1.00 0.98 C ATOM 1615 CZ3 TRP B 374 -7.029 -7.153 -5.132 1.00 0.97 C ATOM 1616 CH2 TRP B 374 -6.436 -8.383 -5.441 1.00 0.88 C ATOM 0 HA TRP B 374 -9.248 -6.683 -1.075 1.00 0.61 H new ATOM 0 HB2 TRP B 374 -11.703 -8.070 -2.193 1.00 0.88 H new ATOM 0 HB3 TRP B 374 -10.872 -6.753 -2.997 1.00 0.88 H new ATOM 0 HD1 TRP B 374 -10.480 -10.481 -2.167 1.00 1.38 H new ATOM 0 HE1 TRP B 374 -8.524 -11.480 -3.533 1.00 1.42 H new ATOM 0 HE3 TRP B 374 -8.590 -6.128 -4.079 1.00 0.85 H new ATOM 0 HZ2 TRP B 374 -6.469 -10.503 -5.181 1.00 0.98 H new ATOM 0 HZ3 TRP B 374 -6.613 -6.245 -5.543 1.00 0.97 H new ATOM 0 HH2 TRP B 374 -5.571 -8.406 -6.088 1.00 0.88 H new ATOM 1627 N VAL B 375 -10.561 -4.747 -0.376 1.00 0.40 N ATOM 1628 CA VAL B 375 -11.284 -3.583 0.102 1.00 0.38 C ATOM 1629 C VAL B 375 -11.421 -2.552 -1.011 1.00 0.44 C ATOM 1630 O VAL B 375 -10.430 -1.968 -1.452 1.00 0.53 O ATOM 1631 CB VAL B 375 -10.602 -2.939 1.333 1.00 0.48 C ATOM 1632 CG1 VAL B 375 -11.460 -1.805 1.884 1.00 0.84 C ATOM 1633 CG2 VAL B 375 -10.336 -3.980 2.419 1.00 1.07 C ATOM 0 H VAL B 375 -9.582 -4.574 -0.604 1.00 0.40 H new ATOM 0 HA VAL B 375 -12.273 -3.922 0.410 1.00 0.38 H new ATOM 0 HB VAL B 375 -9.644 -2.530 1.013 1.00 0.48 H new ATOM 0 HG11 VAL B 375 -10.966 -1.363 2.749 1.00 0.84 H new ATOM 0 HG12 VAL B 375 -11.595 -1.044 1.115 1.00 0.84 H new ATOM 0 HG13 VAL B 375 -12.433 -2.196 2.182 1.00 0.84 H new ATOM 0 HG21 VAL B 375 -9.856 -3.501 3.273 1.00 1.07 H new ATOM 0 HG22 VAL B 375 -11.279 -4.425 2.735 1.00 1.07 H new ATOM 0 HG23 VAL B 375 -9.682 -4.758 2.025 1.00 1.07 H new ATOM 1643 N GLU B 376 -12.650 -2.359 -1.467 1.00 0.51 N ATOM 1644 CA GLU B 376 -12.946 -1.386 -2.511 1.00 0.63 C ATOM 1645 C GLU B 376 -13.026 0.009 -1.912 1.00 0.52 C ATOM 1646 O GLU B 376 -13.570 0.190 -0.818 1.00 0.61 O ATOM 1647 CB GLU B 376 -14.275 -1.722 -3.201 1.00 0.86 C ATOM 1648 CG GLU B 376 -14.240 -2.984 -4.050 1.00 1.43 C ATOM 1649 CD GLU B 376 -13.426 -2.819 -5.314 1.00 1.69 C ATOM 1650 OE1 GLU B 376 -12.177 -2.851 -5.236 1.00 2.06 O ATOM 1651 OE2 GLU B 376 -14.020 -2.641 -6.388 1.00 2.28 O ATOM 0 H GLU B 376 -13.466 -2.868 -1.127 1.00 0.51 H new ATOM 0 HA GLU B 376 -12.146 -1.421 -3.250 1.00 0.63 H new ATOM 0 HB2 GLU B 376 -15.048 -1.832 -2.440 1.00 0.86 H new ATOM 0 HB3 GLU B 376 -14.566 -0.882 -3.832 1.00 0.86 H new ATOM 0 HG2 GLU B 376 -13.825 -3.801 -3.460 1.00 1.43 H new ATOM 0 HG3 GLU B 376 -15.259 -3.267 -4.314 1.00 1.43 H new ATOM 1658 N ASN B 377 -12.479 0.985 -2.614 1.00 0.54 N ATOM 1659 CA ASN B 377 -12.543 2.363 -2.159 1.00 0.58 C ATOM 1660 C ASN B 377 -13.636 3.116 -2.899 1.00 0.50 C ATOM 1661 O ASN B 377 -14.237 2.594 -3.841 1.00 0.65 O ATOM 1662 CB ASN B 377 -11.204 3.077 -2.357 1.00 0.83 C ATOM 1663 CG ASN B 377 -10.927 3.467 -3.802 1.00 0.88 C ATOM 1664 OD1 ASN B 377 -11.407 2.839 -4.743 1.00 1.83 O ATOM 1665 ND2 ASN B 377 -10.142 4.514 -3.980 1.00 1.23 N ATOM 0 H ASN B 377 -11.987 0.851 -3.498 1.00 0.54 H new ATOM 0 HA ASN B 377 -12.772 2.348 -1.093 1.00 0.58 H new ATOM 0 HB2 ASN B 377 -11.185 3.974 -1.738 1.00 0.83 H new ATOM 0 HB3 ASN B 377 -10.401 2.429 -2.004 1.00 0.83 H new ATOM 0 HD21 ASN B 377 -9.915 4.827 -4.924 1.00 1.23 H new ATOM 0 HD22 ASN B 377 -9.762 5.010 -3.173 1.00 1.23 H new ATOM 1672 N GLU B 378 -13.902 4.339 -2.467 1.00 0.43 N ATOM 1673 CA GLU B 378 -14.881 5.170 -3.142 1.00 0.51 C ATOM 1674 C GLU B 378 -14.306 6.534 -3.510 1.00 0.44 C ATOM 1675 O GLU B 378 -15.049 7.497 -3.699 1.00 0.53 O ATOM 1676 CB GLU B 378 -16.130 5.325 -2.272 1.00 0.71 C ATOM 1677 CG GLU B 378 -16.909 4.036 -2.072 1.00 0.87 C ATOM 1678 CD GLU B 378 -17.927 4.146 -0.959 1.00 1.05 C ATOM 1679 OE1 GLU B 378 -18.957 4.823 -1.150 1.00 1.39 O ATOM 1680 OE2 GLU B 378 -17.698 3.561 0.121 1.00 1.88 O ATOM 0 H GLU B 378 -13.457 4.774 -1.659 1.00 0.43 H new ATOM 0 HA GLU B 378 -15.157 4.674 -4.072 1.00 0.51 H new ATOM 0 HB2 GLU B 378 -15.835 5.714 -1.297 1.00 0.71 H new ATOM 0 HB3 GLU B 378 -16.786 6.067 -2.726 1.00 0.71 H new ATOM 0 HG2 GLU B 378 -17.416 3.773 -3.000 1.00 0.87 H new ATOM 0 HG3 GLU B 378 -16.215 3.226 -1.848 1.00 0.87 H new ATOM 1687 N ILE B 379 -12.988 6.609 -3.636 1.00 0.36 N ATOM 1688 CA ILE B 379 -12.346 7.827 -4.137 1.00 0.38 C ATOM 1689 C ILE B 379 -11.361 7.497 -5.249 1.00 0.48 C ATOM 1690 O ILE B 379 -10.312 8.123 -5.369 1.00 1.17 O ATOM 1691 CB ILE B 379 -11.602 8.635 -3.042 1.00 0.38 C ATOM 1692 CG1 ILE B 379 -10.544 7.774 -2.325 1.00 0.37 C ATOM 1693 CG2 ILE B 379 -12.588 9.225 -2.033 1.00 0.43 C ATOM 1694 CD1 ILE B 379 -9.793 8.507 -1.218 1.00 0.44 C ATOM 0 H ILE B 379 -12.345 5.853 -3.403 1.00 0.36 H new ATOM 0 HA ILE B 379 -13.159 8.449 -4.511 1.00 0.38 H new ATOM 0 HB ILE B 379 -11.084 9.456 -3.538 1.00 0.38 H new ATOM 0 HG12 ILE B 379 -11.032 6.897 -1.900 1.00 0.37 H new ATOM 0 HG13 ILE B 379 -9.825 7.413 -3.060 1.00 0.37 H new ATOM 0 HG21 ILE B 379 -12.041 9.787 -1.276 1.00 0.43 H new ATOM 0 HG22 ILE B 379 -13.281 9.890 -2.548 1.00 0.43 H new ATOM 0 HG23 ILE B 379 -13.145 8.419 -1.555 1.00 0.43 H new ATOM 0 HD11 ILE B 379 -9.067 7.833 -0.763 1.00 0.44 H new ATOM 0 HD12 ILE B 379 -9.274 9.368 -1.639 1.00 0.44 H new ATOM 0 HD13 ILE B 379 -10.500 8.844 -0.460 1.00 0.44 H new ATOM 1706 N TYR B 380 -11.721 6.534 -6.074 1.00 0.45 N ATOM 1707 CA TYR B 380 -10.843 6.088 -7.150 1.00 0.42 C ATOM 1708 C TYR B 380 -10.975 6.989 -8.371 1.00 0.46 C ATOM 1709 O TYR B 380 -12.041 7.074 -8.988 1.00 0.58 O ATOM 1710 CB TYR B 380 -11.132 4.631 -7.537 1.00 0.48 C ATOM 1711 CG TYR B 380 -10.372 4.177 -8.763 1.00 0.45 C ATOM 1712 CD1 TYR B 380 -8.987 4.081 -8.740 1.00 0.49 C ATOM 1713 CD2 TYR B 380 -11.034 3.842 -9.938 1.00 0.54 C ATOM 1714 CE1 TYR B 380 -8.285 3.663 -9.851 1.00 0.51 C ATOM 1715 CE2 TYR B 380 -10.336 3.422 -11.053 1.00 0.54 C ATOM 1716 CZ TYR B 380 -8.988 3.353 -11.026 1.00 0.47 C ATOM 1717 OH TYR B 380 -8.263 2.911 -12.107 1.00 0.52 O ATOM 0 H TYR B 380 -12.613 6.043 -6.024 1.00 0.45 H new ATOM 0 HA TYR B 380 -9.819 6.149 -6.781 1.00 0.42 H new ATOM 0 HB2 TYR B 380 -10.877 3.982 -6.699 1.00 0.48 H new ATOM 0 HB3 TYR B 380 -12.201 4.515 -7.717 1.00 0.48 H new ATOM 0 HD1 TYR B 380 -8.451 4.338 -7.838 1.00 0.49 H new ATOM 0 HD2 TYR B 380 -12.111 3.911 -9.980 1.00 0.54 H new ATOM 0 HE1 TYR B 380 -7.209 3.575 -9.818 1.00 0.51 H new ATOM 0 HE2 TYR B 380 -10.871 3.148 -11.950 1.00 0.54 H new ATOM 0 HH TYR B 380 -8.869 2.730 -12.856 1.00 0.52 H new ATOM 1727 N TYR B 381 -9.891 7.670 -8.701 1.00 0.55 N ATOM 1728 CA TYR B 381 -9.836 8.521 -9.860 1.00 0.70 C ATOM 1729 C TYR B 381 -9.337 7.737 -11.071 1.00 0.79 C ATOM 1730 O TYR B 381 -8.113 7.521 -11.182 1.00 1.31 O ATOM 1731 CB TYR B 381 -8.910 9.697 -9.563 1.00 1.01 C ATOM 1732 CG TYR B 381 -9.517 10.768 -8.671 1.00 1.28 C ATOM 1733 CD1 TYR B 381 -10.330 10.436 -7.591 1.00 1.73 C ATOM 1734 CD2 TYR B 381 -9.279 12.116 -8.915 1.00 1.66 C ATOM 1735 CE1 TYR B 381 -10.884 11.411 -6.783 1.00 2.35 C ATOM 1736 CE2 TYR B 381 -9.830 13.096 -8.111 1.00 2.20 C ATOM 1737 CZ TYR B 381 -10.631 12.738 -7.047 1.00 2.50 C ATOM 1738 OH TYR B 381 -11.179 13.713 -6.244 1.00 3.20 O ATOM 1739 OXT TYR B 381 -10.172 7.335 -11.911 1.00 1.47 O ATOM 0 H TYR B 381 -9.024 7.643 -8.165 1.00 0.55 H new ATOM 0 HA TYR B 381 -10.834 8.894 -10.090 1.00 0.70 H new ATOM 0 HB2 TYR B 381 -8.004 9.319 -9.090 1.00 1.01 H new ATOM 0 HB3 TYR B 381 -8.610 10.154 -10.506 1.00 1.01 H new ATOM 0 HD1 TYR B 381 -10.532 9.396 -7.380 1.00 1.73 H new ATOM 0 HD2 TYR B 381 -8.653 12.402 -9.747 1.00 1.66 H new ATOM 0 HE1 TYR B 381 -11.512 11.133 -5.949 1.00 2.35 H new ATOM 0 HE2 TYR B 381 -9.634 14.138 -8.315 1.00 2.20 H new ATOM 0 HH TYR B 381 -10.902 14.596 -6.566 1.00 3.20 H new