USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 311 SER OG : rot 37:sc= 0.334 USER MOD Set 1.2: A 395 TYR OH : rot 180:sc= 0 USER MOD Single : A 316 LYS NZ :NH3+ 164:sc= -0.0171 (180deg=-0.208) USER MOD Single : A 333 THR OG1 : rot -41:sc= 0.902 USER MOD Single : A 334 LYS NZ :NH3+ 135:sc= 1.2 (180deg=0.65) USER MOD Single : A 336 CYS SG : rot 180:sc= -0.135 USER MOD Single : A 338 MET CE :methyl 155:sc= -0.175 (180deg=-0.93) USER MOD Single : A 343 LYS NZ :NH3+ 164:sc= -0.045 (180deg=-0.299) USER MOD Single : A 344 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 345 LYS NZ :NH3+ 165:sc= -0.0496 (180deg=-0.291) USER MOD Single : A 349 GLN : amide:sc= 0.778 K(o=0.78,f=-5!) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 354 THR OG1 : rot 180:sc= 0 USER MOD Single : A 355 ASN : amide:sc= -0.068 K(o=-0.068,f=-0.92) USER MOD Single : A 357 LYS NZ :NH3+ 163:sc= -0.057 (180deg=-0.325) USER MOD Single : A 362 SER OG : rot 180:sc= 0 USER MOD Single : A 364 LYS NZ :NH3+ -174:sc= -0.0243 (180deg=-0.108) USER MOD Single : A 365 SER OG : rot 180:sc= -0.0114 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= -1.13 K(o=-1.1,f=-0.0036) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 TYR OH : rot 2:sc= 1.26 USER MOD Single : A 379 SER OG : rot 43:sc= 0.0165 USER MOD Single : A 381 GLN : amide:sc= -0.0101 K(o=-0.01,f=-0.82) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0.49 USER MOD Single : A 383 THR OG1 : rot 180:sc= 0.00061 USER MOD Single : A 387 GLN : amide:sc= -3.37! X(o=-3.4!,f=-3.2) USER MOD Single : A 390 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 377 ASN : amide:sc= -1.67! C(o=-1.7!,f=-9!) USER MOD Single : B 380 TYR OH : rot 50:sc= 0.941 USER MOD Single : B 381 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N SER A 311 3.485 7.446 9.608 1.00 0.71 N ATOM 27 CA SER A 311 3.422 6.000 9.743 1.00 0.41 C ATOM 28 C SER A 311 4.273 5.309 8.677 1.00 0.34 C ATOM 29 O SER A 311 4.037 5.475 7.480 1.00 0.47 O ATOM 30 CB SER A 311 1.967 5.548 9.633 1.00 0.59 C ATOM 31 OG SER A 311 1.119 6.383 10.410 1.00 1.06 O ATOM 0 HA SER A 311 3.821 5.721 10.718 1.00 0.41 H new ATOM 0 HB2 SER A 311 1.652 5.572 8.590 1.00 0.59 H new ATOM 0 HB3 SER A 311 1.876 4.515 9.970 1.00 0.59 H new ATOM 0 HG SER A 311 1.442 7.307 10.368 1.00 1.06 H new ATOM 37 N PHE A 312 5.269 4.553 9.120 1.00 0.29 N ATOM 38 CA PHE A 312 6.135 3.812 8.213 1.00 0.27 C ATOM 39 C PHE A 312 6.109 2.324 8.534 1.00 0.26 C ATOM 40 O PHE A 312 6.345 1.916 9.673 1.00 0.34 O ATOM 41 CB PHE A 312 7.576 4.324 8.290 1.00 0.31 C ATOM 42 CG PHE A 312 7.783 5.659 7.634 1.00 0.34 C ATOM 43 CD1 PHE A 312 8.085 5.736 6.284 1.00 0.33 C ATOM 44 CD2 PHE A 312 7.681 6.832 8.362 1.00 0.45 C ATOM 45 CE1 PHE A 312 8.278 6.958 5.673 1.00 0.38 C ATOM 46 CE2 PHE A 312 7.875 8.057 7.756 1.00 0.52 C ATOM 47 CZ PHE A 312 8.174 8.120 6.410 1.00 0.47 C ATOM 0 H PHE A 312 5.498 4.437 10.107 1.00 0.29 H new ATOM 0 HA PHE A 312 5.758 3.966 7.202 1.00 0.27 H new ATOM 0 HB2 PHE A 312 7.871 4.395 9.337 1.00 0.31 H new ATOM 0 HB3 PHE A 312 8.236 3.594 7.822 1.00 0.31 H new ATOM 0 HD1 PHE A 312 8.170 4.829 5.703 1.00 0.33 H new ATOM 0 HD2 PHE A 312 7.447 6.788 9.415 1.00 0.45 H new ATOM 0 HE1 PHE A 312 8.510 7.005 4.619 1.00 0.38 H new ATOM 0 HE2 PHE A 312 7.793 8.965 8.335 1.00 0.52 H new ATOM 0 HZ PHE A 312 8.326 9.078 5.934 1.00 0.47 H new ATOM 57 N PHE A 313 5.811 1.519 7.529 1.00 0.24 N ATOM 58 CA PHE A 313 5.825 0.072 7.677 1.00 0.26 C ATOM 59 C PHE A 313 6.991 -0.526 6.904 1.00 0.26 C ATOM 60 O PHE A 313 7.220 -0.176 5.747 1.00 0.26 O ATOM 61 CB PHE A 313 4.511 -0.537 7.182 1.00 0.28 C ATOM 62 CG PHE A 313 3.322 -0.184 8.029 1.00 0.30 C ATOM 63 CD1 PHE A 313 2.585 0.960 7.774 1.00 0.32 C ATOM 64 CD2 PHE A 313 2.936 -1.006 9.076 1.00 0.34 C ATOM 65 CE1 PHE A 313 1.487 1.279 8.548 1.00 0.37 C ATOM 66 CE2 PHE A 313 1.838 -0.691 9.854 1.00 0.40 C ATOM 67 CZ PHE A 313 1.114 0.453 9.589 1.00 0.41 C ATOM 0 H PHE A 313 5.555 1.844 6.597 1.00 0.24 H new ATOM 0 HA PHE A 313 5.940 -0.159 8.736 1.00 0.26 H new ATOM 0 HB2 PHE A 313 4.329 -0.204 6.160 1.00 0.28 H new ATOM 0 HB3 PHE A 313 4.613 -1.622 7.150 1.00 0.28 H new ATOM 0 HD1 PHE A 313 2.872 1.610 6.961 1.00 0.32 H new ATOM 0 HD2 PHE A 313 3.500 -1.903 9.286 1.00 0.34 H new ATOM 0 HE1 PHE A 313 0.920 2.174 8.339 1.00 0.37 H new ATOM 0 HE2 PHE A 313 1.547 -1.339 10.668 1.00 0.40 H new ATOM 0 HZ PHE A 313 0.256 0.702 10.196 1.00 0.41 H new ATOM 77 N LEU A 314 7.729 -1.417 7.545 1.00 0.36 N ATOM 78 CA LEU A 314 8.848 -2.080 6.896 1.00 0.38 C ATOM 79 C LEU A 314 8.359 -3.329 6.174 1.00 0.37 C ATOM 80 O LEU A 314 8.273 -4.408 6.759 1.00 0.50 O ATOM 81 CB LEU A 314 9.931 -2.442 7.919 1.00 0.51 C ATOM 82 CG LEU A 314 11.190 -3.091 7.335 1.00 0.57 C ATOM 83 CD1 LEU A 314 11.884 -2.144 6.369 1.00 0.54 C ATOM 84 CD2 LEU A 314 12.141 -3.505 8.449 1.00 0.72 C ATOM 0 H LEU A 314 7.574 -1.698 8.513 1.00 0.36 H new ATOM 0 HA LEU A 314 9.286 -1.397 6.168 1.00 0.38 H new ATOM 0 HB2 LEU A 314 10.222 -1.537 8.452 1.00 0.51 H new ATOM 0 HB3 LEU A 314 9.500 -3.120 8.655 1.00 0.51 H new ATOM 0 HG LEU A 314 10.891 -3.983 6.785 1.00 0.57 H new ATOM 0 HD11 LEU A 314 12.775 -2.624 5.966 1.00 0.54 H new ATOM 0 HD12 LEU A 314 11.206 -1.895 5.553 1.00 0.54 H new ATOM 0 HD13 LEU A 314 12.169 -1.233 6.895 1.00 0.54 H new ATOM 0 HD21 LEU A 314 13.030 -3.964 8.017 1.00 0.72 H new ATOM 0 HD22 LEU A 314 12.430 -2.626 9.026 1.00 0.72 H new ATOM 0 HD23 LEU A 314 11.645 -4.221 9.104 1.00 0.72 H new ATOM 96 N VAL A 315 8.016 -3.169 4.908 1.00 0.26 N ATOM 97 CA VAL A 315 7.477 -4.264 4.119 1.00 0.26 C ATOM 98 C VAL A 315 8.551 -4.860 3.221 1.00 0.24 C ATOM 99 O VAL A 315 9.627 -4.281 3.062 1.00 0.27 O ATOM 100 CB VAL A 315 6.284 -3.802 3.254 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.134 -3.343 4.133 1.00 0.30 C ATOM 102 CG2 VAL A 315 6.702 -2.692 2.299 1.00 0.23 C ATOM 0 H VAL A 315 8.101 -2.287 4.402 1.00 0.26 H new ATOM 0 HA VAL A 315 7.127 -5.024 4.818 1.00 0.26 H new ATOM 0 HB VAL A 315 5.948 -4.652 2.660 1.00 0.26 H new ATOM 0 HG11 VAL A 315 4.303 -3.021 3.506 1.00 0.30 H new ATOM 0 HG12 VAL A 315 4.811 -4.167 4.769 1.00 0.30 H new ATOM 0 HG13 VAL A 315 5.462 -2.511 4.756 1.00 0.30 H new ATOM 0 HG21 VAL A 315 5.844 -2.384 1.701 1.00 0.23 H new ATOM 0 HG22 VAL A 315 7.071 -1.840 2.870 1.00 0.23 H new ATOM 0 HG23 VAL A 315 7.491 -3.056 1.641 1.00 0.23 H new ATOM 112 N LYS A 316 8.267 -6.019 2.649 1.00 0.25 N ATOM 113 CA LYS A 316 9.201 -6.659 1.734 1.00 0.28 C ATOM 114 C LYS A 316 8.595 -6.728 0.338 1.00 0.28 C ATOM 115 O LYS A 316 7.622 -7.447 0.113 1.00 0.28 O ATOM 116 CB LYS A 316 9.552 -8.068 2.215 1.00 0.34 C ATOM 117 CG LYS A 316 9.861 -8.159 3.699 1.00 0.44 C ATOM 118 CD LYS A 316 10.504 -9.491 4.049 1.00 0.55 C ATOM 119 CE LYS A 316 11.966 -9.526 3.631 1.00 0.67 C ATOM 120 NZ LYS A 316 12.803 -8.648 4.492 1.00 1.44 N ATOM 0 H LYS A 316 7.400 -6.535 2.801 1.00 0.25 H new ATOM 0 HA LYS A 316 10.114 -6.065 1.704 1.00 0.28 H new ATOM 0 HB2 LYS A 316 8.721 -8.736 1.987 1.00 0.34 H new ATOM 0 HB3 LYS A 316 10.414 -8.428 1.653 1.00 0.34 H new ATOM 0 HG2 LYS A 316 10.527 -7.345 3.984 1.00 0.44 H new ATOM 0 HG3 LYS A 316 8.942 -8.035 4.272 1.00 0.44 H new ATOM 0 HD2 LYS A 316 10.426 -9.664 5.122 1.00 0.55 H new ATOM 0 HD3 LYS A 316 9.963 -10.299 3.556 1.00 0.55 H new ATOM 0 HE2 LYS A 316 12.336 -10.550 3.686 1.00 0.67 H new ATOM 0 HE3 LYS A 316 12.056 -9.210 2.592 1.00 0.67 H new ATOM 0 HZ1 LYS A 316 13.806 -8.893 4.367 1.00 1.44 H new ATOM 0 HZ2 LYS A 316 12.654 -7.654 4.224 1.00 1.44 H new ATOM 0 HZ3 LYS A 316 12.535 -8.782 5.488 1.00 1.44 H new ATOM 134 N GLU A 317 9.162 -5.974 -0.590 1.00 0.32 N ATOM 135 CA GLU A 317 8.650 -5.925 -1.953 1.00 0.37 C ATOM 136 C GLU A 317 9.107 -7.138 -2.749 1.00 0.45 C ATOM 137 O GLU A 317 10.306 -7.401 -2.865 1.00 0.48 O ATOM 138 CB GLU A 317 9.112 -4.649 -2.658 1.00 0.39 C ATOM 139 CG GLU A 317 8.729 -3.374 -1.927 1.00 0.41 C ATOM 140 CD GLU A 317 9.140 -2.124 -2.675 1.00 0.49 C ATOM 141 OE1 GLU A 317 10.316 -2.021 -3.076 1.00 0.70 O ATOM 142 OE2 GLU A 317 8.294 -1.222 -2.845 1.00 0.61 O ATOM 0 H GLU A 317 9.979 -5.386 -0.425 1.00 0.32 H new ATOM 0 HA GLU A 317 7.561 -5.929 -1.897 1.00 0.37 H new ATOM 0 HB2 GLU A 317 10.196 -4.680 -2.773 1.00 0.39 H new ATOM 0 HB3 GLU A 317 8.686 -4.624 -3.661 1.00 0.39 H new ATOM 0 HG2 GLU A 317 7.650 -3.360 -1.770 1.00 0.41 H new ATOM 0 HG3 GLU A 317 9.194 -3.372 -0.941 1.00 0.41 H new ATOM 275 N LEU A 325 13.247 -10.428 -1.394 1.00 0.61 N ATOM 276 CA LEU A 325 12.337 -9.305 -1.238 1.00 0.49 C ATOM 277 C LEU A 325 13.063 -8.116 -0.628 1.00 0.45 C ATOM 278 O LEU A 325 13.804 -8.259 0.348 1.00 0.55 O ATOM 279 CB LEU A 325 11.129 -9.686 -0.376 1.00 0.47 C ATOM 280 CG LEU A 325 10.169 -10.703 -0.997 1.00 0.53 C ATOM 281 CD1 LEU A 325 10.713 -12.117 -0.885 1.00 0.69 C ATOM 282 CD2 LEU A 325 8.805 -10.609 -0.344 1.00 0.56 C ATOM 0 HA LEU A 325 11.973 -9.028 -2.228 1.00 0.49 H new ATOM 0 HB2 LEU A 325 11.492 -10.087 0.570 1.00 0.47 H new ATOM 0 HB3 LEU A 325 10.570 -8.779 -0.145 1.00 0.47 H new ATOM 0 HG LEU A 325 10.070 -10.466 -2.056 1.00 0.53 H new ATOM 0 HD11 LEU A 325 10.007 -12.815 -1.335 1.00 0.69 H new ATOM 0 HD12 LEU A 325 11.669 -12.181 -1.405 1.00 0.69 H new ATOM 0 HD13 LEU A 325 10.854 -12.371 0.166 1.00 0.69 H new ATOM 0 HD21 LEU A 325 8.134 -11.339 -0.797 1.00 0.56 H new ATOM 0 HD22 LEU A 325 8.897 -10.814 0.723 1.00 0.56 H new ATOM 0 HD23 LEU A 325 8.401 -9.607 -0.487 1.00 0.56 H new ATOM 294 N VAL A 326 12.842 -6.948 -1.206 1.00 0.40 N ATOM 295 CA VAL A 326 13.529 -5.737 -0.782 1.00 0.38 C ATOM 296 C VAL A 326 12.754 -5.034 0.331 1.00 0.32 C ATOM 297 O VAL A 326 11.547 -4.822 0.214 1.00 0.29 O ATOM 298 CB VAL A 326 13.723 -4.763 -1.966 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.523 -3.539 -1.543 1.00 0.45 C ATOM 300 CG2 VAL A 326 14.401 -5.467 -3.131 1.00 0.51 C ATOM 0 H VAL A 326 12.187 -6.811 -1.976 1.00 0.40 H new ATOM 0 HA VAL A 326 14.508 -6.033 -0.405 1.00 0.38 H new ATOM 0 HB VAL A 326 12.738 -4.426 -2.290 1.00 0.42 H new ATOM 0 HG11 VAL A 326 14.644 -2.871 -2.396 1.00 0.45 H new ATOM 0 HG12 VAL A 326 13.995 -3.017 -0.745 1.00 0.45 H new ATOM 0 HG13 VAL A 326 15.504 -3.851 -1.185 1.00 0.45 H new ATOM 0 HG21 VAL A 326 14.529 -4.765 -3.955 1.00 0.51 H new ATOM 0 HG22 VAL A 326 15.376 -5.837 -2.815 1.00 0.51 H new ATOM 0 HG23 VAL A 326 13.784 -6.304 -3.459 1.00 0.51 H new ATOM 310 N PRO A 327 13.437 -4.696 1.436 1.00 0.33 N ATOM 311 CA PRO A 327 12.836 -3.946 2.539 1.00 0.30 C ATOM 312 C PRO A 327 12.474 -2.527 2.121 1.00 0.25 C ATOM 313 O PRO A 327 13.339 -1.740 1.730 1.00 0.32 O ATOM 314 CB PRO A 327 13.929 -3.920 3.615 1.00 0.39 C ATOM 315 CG PRO A 327 14.922 -4.952 3.198 1.00 0.46 C ATOM 316 CD PRO A 327 14.843 -5.025 1.703 1.00 0.42 C ATOM 0 HA PRO A 327 11.908 -4.403 2.882 1.00 0.30 H new ATOM 0 HB2 PRO A 327 14.391 -2.935 3.682 1.00 0.39 H new ATOM 0 HB3 PRO A 327 13.517 -4.146 4.599 1.00 0.39 H new ATOM 0 HG2 PRO A 327 15.926 -4.680 3.522 1.00 0.46 H new ATOM 0 HG3 PRO A 327 14.693 -5.918 3.648 1.00 0.46 H new ATOM 0 HD2 PRO A 327 15.522 -4.317 1.227 1.00 0.42 H new ATOM 0 HD3 PRO A 327 15.104 -6.016 1.332 1.00 0.42 H new ATOM 324 N ARG A 328 11.197 -2.207 2.196 1.00 0.21 N ATOM 325 CA ARG A 328 10.721 -0.900 1.791 1.00 0.23 C ATOM 326 C ARG A 328 9.996 -0.222 2.941 1.00 0.20 C ATOM 327 O ARG A 328 9.242 -0.863 3.673 1.00 0.23 O ATOM 328 CB ARG A 328 9.783 -1.034 0.591 1.00 0.32 C ATOM 329 CG ARG A 328 9.497 0.281 -0.114 1.00 0.50 C ATOM 330 CD ARG A 328 10.769 0.874 -0.699 1.00 0.56 C ATOM 331 NE ARG A 328 11.391 -0.008 -1.682 1.00 0.47 N ATOM 332 CZ ARG A 328 12.685 0.019 -1.981 1.00 0.58 C ATOM 333 NH1 ARG A 328 13.497 0.808 -1.296 1.00 0.78 N ATOM 334 NH2 ARG A 328 13.166 -0.755 -2.944 1.00 0.65 N ATOM 0 H ARG A 328 10.469 -2.836 2.535 1.00 0.21 H new ATOM 0 HA ARG A 328 11.578 -0.289 1.508 1.00 0.23 H new ATOM 0 HB2 ARG A 328 10.220 -1.731 -0.124 1.00 0.32 H new ATOM 0 HB3 ARG A 328 8.841 -1.469 0.925 1.00 0.32 H new ATOM 0 HG2 ARG A 328 8.768 0.121 -0.908 1.00 0.50 H new ATOM 0 HG3 ARG A 328 9.053 0.986 0.589 1.00 0.50 H new ATOM 0 HD2 ARG A 328 10.539 1.831 -1.167 1.00 0.56 H new ATOM 0 HD3 ARG A 328 11.477 1.074 0.105 1.00 0.56 H new ATOM 0 HE ARG A 328 10.799 -0.683 -2.166 1.00 0.47 H new ATOM 0 HH11 ARG A 328 13.128 1.390 -0.544 1.00 0.78 H new ATOM 0 HH12 ARG A 328 14.492 0.834 -1.520 1.00 0.78 H new ATOM 0 HH21 ARG A 328 12.542 -1.375 -3.460 1.00 0.65 H new ATOM 0 HH22 ARG A 328 14.160 -0.730 -3.169 1.00 0.65 H new ATOM 348 N LEU A 329 10.241 1.068 3.112 1.00 0.18 N ATOM 349 CA LEU A 329 9.535 1.846 4.109 1.00 0.20 C ATOM 350 C LEU A 329 8.256 2.402 3.506 1.00 0.19 C ATOM 351 O LEU A 329 8.280 3.385 2.763 1.00 0.24 O ATOM 352 CB LEU A 329 10.416 2.981 4.638 1.00 0.25 C ATOM 353 CG LEU A 329 11.656 2.534 5.411 1.00 0.31 C ATOM 354 CD1 LEU A 329 12.507 3.736 5.791 1.00 0.37 C ATOM 355 CD2 LEU A 329 11.252 1.754 6.653 1.00 0.36 C ATOM 0 H LEU A 329 10.925 1.596 2.570 1.00 0.18 H new ATOM 0 HA LEU A 329 9.284 1.199 4.949 1.00 0.20 H new ATOM 0 HB2 LEU A 329 10.734 3.596 3.796 1.00 0.25 H new ATOM 0 HB3 LEU A 329 9.812 3.616 5.286 1.00 0.25 H new ATOM 0 HG LEU A 329 12.248 1.882 4.770 1.00 0.31 H new ATOM 0 HD11 LEU A 329 13.386 3.400 6.341 1.00 0.37 H new ATOM 0 HD12 LEU A 329 12.822 4.259 4.888 1.00 0.37 H new ATOM 0 HD13 LEU A 329 11.924 4.411 6.417 1.00 0.37 H new ATOM 0 HD21 LEU A 329 12.146 1.442 7.193 1.00 0.36 H new ATOM 0 HD22 LEU A 329 10.641 2.386 7.297 1.00 0.36 H new ATOM 0 HD23 LEU A 329 10.680 0.874 6.360 1.00 0.36 H new ATOM 367 N LEU A 330 7.149 1.744 3.793 1.00 0.17 N ATOM 368 CA LEU A 330 5.863 2.156 3.271 1.00 0.17 C ATOM 369 C LEU A 330 5.287 3.268 4.136 1.00 0.18 C ATOM 370 O LEU A 330 4.835 3.026 5.256 1.00 0.24 O ATOM 371 CB LEU A 330 4.904 0.965 3.217 1.00 0.22 C ATOM 372 CG LEU A 330 3.596 1.214 2.463 1.00 0.26 C ATOM 373 CD1 LEU A 330 3.877 1.556 1.007 1.00 0.57 C ATOM 374 CD2 LEU A 330 2.687 -0.002 2.563 1.00 0.49 C ATOM 0 H LEU A 330 7.116 0.917 4.389 1.00 0.17 H new ATOM 0 HA LEU A 330 5.996 2.533 2.257 1.00 0.17 H new ATOM 0 HB2 LEU A 330 5.419 0.125 2.750 1.00 0.22 H new ATOM 0 HB3 LEU A 330 4.665 0.665 4.237 1.00 0.22 H new ATOM 0 HG LEU A 330 3.087 2.062 2.921 1.00 0.26 H new ATOM 0 HD11 LEU A 330 2.936 1.730 0.486 1.00 0.57 H new ATOM 0 HD12 LEU A 330 4.491 2.455 0.956 1.00 0.57 H new ATOM 0 HD13 LEU A 330 4.406 0.728 0.534 1.00 0.57 H new ATOM 0 HD21 LEU A 330 1.761 0.191 2.022 1.00 0.49 H new ATOM 0 HD22 LEU A 330 3.188 -0.867 2.129 1.00 0.49 H new ATOM 0 HD23 LEU A 330 2.460 -0.202 3.610 1.00 0.49 H new ATOM 386 N GLY A 331 5.343 4.485 3.622 1.00 0.18 N ATOM 387 CA GLY A 331 4.849 5.628 4.360 1.00 0.22 C ATOM 388 C GLY A 331 3.410 5.940 4.023 1.00 0.22 C ATOM 389 O GLY A 331 3.110 6.399 2.919 1.00 0.29 O ATOM 0 H GLY A 331 5.724 4.703 2.701 1.00 0.18 H new ATOM 0 HA2 GLY A 331 4.937 5.435 5.429 1.00 0.22 H new ATOM 0 HA3 GLY A 331 5.469 6.497 4.141 1.00 0.22 H new ATOM 393 N ILE A 332 2.522 5.685 4.970 1.00 0.22 N ATOM 394 CA ILE A 332 1.102 5.930 4.775 1.00 0.22 C ATOM 395 C ILE A 332 0.701 7.238 5.446 1.00 0.24 C ATOM 396 O ILE A 332 0.828 7.385 6.665 1.00 0.36 O ATOM 397 CB ILE A 332 0.245 4.780 5.351 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.696 3.427 4.787 1.00 0.27 C ATOM 399 CG2 ILE A 332 -1.232 5.015 5.053 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.546 3.307 3.286 1.00 0.27 C ATOM 0 H ILE A 332 2.761 5.306 5.886 1.00 0.22 H new ATOM 0 HA ILE A 332 0.922 5.991 3.702 1.00 0.22 H new ATOM 0 HB ILE A 332 0.384 4.762 6.432 1.00 0.26 H new ATOM 0 HG12 ILE A 332 1.741 3.264 5.052 1.00 0.27 H new ATOM 0 HG13 ILE A 332 0.119 2.635 5.264 1.00 0.27 H new ATOM 0 HG21 ILE A 332 -1.821 4.196 5.465 1.00 0.28 H new ATOM 0 HG22 ILE A 332 -1.550 5.954 5.506 1.00 0.28 H new ATOM 0 HG23 ILE A 332 -1.382 5.063 3.974 1.00 0.28 H new ATOM 0 HD11 ILE A 332 0.886 2.323 2.964 1.00 0.27 H new ATOM 0 HD12 ILE A 332 -0.501 3.437 3.014 1.00 0.27 H new ATOM 0 HD13 ILE A 332 1.146 4.075 2.798 1.00 0.27 H new ATOM 412 N THR A 333 0.243 8.192 4.654 1.00 0.22 N ATOM 413 CA THR A 333 -0.195 9.467 5.188 1.00 0.23 C ATOM 414 C THR A 333 -1.684 9.666 4.941 1.00 0.23 C ATOM 415 O THR A 333 -2.346 8.801 4.366 1.00 0.28 O ATOM 416 CB THR A 333 0.594 10.638 4.568 1.00 0.26 C ATOM 417 OG1 THR A 333 0.415 10.661 3.148 1.00 0.34 O ATOM 418 CG2 THR A 333 2.077 10.526 4.892 1.00 0.38 C ATOM 0 H THR A 333 0.165 8.107 3.641 1.00 0.22 H new ATOM 0 HA THR A 333 -0.006 9.455 6.261 1.00 0.23 H new ATOM 0 HB THR A 333 0.211 11.565 4.996 1.00 0.26 H new ATOM 0 HG1 THR A 333 0.440 9.745 2.800 1.00 0.34 H new ATOM 0 HG21 THR A 333 2.612 11.363 4.444 1.00 0.38 H new ATOM 0 HG22 THR A 333 2.216 10.544 5.973 1.00 0.38 H new ATOM 0 HG23 THR A 333 2.467 9.590 4.492 1.00 0.38 H new ATOM 426 N LYS A 334 -2.200 10.814 5.359 1.00 0.26 N ATOM 427 CA LYS A 334 -3.624 11.115 5.237 1.00 0.28 C ATOM 428 C LYS A 334 -4.013 11.441 3.796 1.00 0.26 C ATOM 429 O LYS A 334 -5.133 11.885 3.538 1.00 0.43 O ATOM 430 CB LYS A 334 -3.989 12.298 6.139 1.00 0.38 C ATOM 431 CG LYS A 334 -3.328 13.608 5.732 1.00 0.47 C ATOM 432 CD LYS A 334 -3.761 14.752 6.630 1.00 0.63 C ATOM 433 CE LYS A 334 -3.160 16.080 6.191 1.00 0.89 C ATOM 434 NZ LYS A 334 -3.616 16.490 4.835 1.00 1.61 N ATOM 0 H LYS A 334 -1.651 11.558 5.789 1.00 0.26 H new ATOM 0 HA LYS A 334 -4.174 10.226 5.546 1.00 0.28 H new ATOM 0 HB2 LYS A 334 -5.071 12.430 6.130 1.00 0.38 H new ATOM 0 HB3 LYS A 334 -3.705 12.062 7.165 1.00 0.38 H new ATOM 0 HG2 LYS A 334 -2.244 13.499 5.777 1.00 0.47 H new ATOM 0 HG3 LYS A 334 -3.583 13.839 4.698 1.00 0.47 H new ATOM 0 HD2 LYS A 334 -4.848 14.826 6.624 1.00 0.63 H new ATOM 0 HD3 LYS A 334 -3.462 14.540 7.657 1.00 0.63 H new ATOM 0 HE2 LYS A 334 -3.429 16.853 6.911 1.00 0.89 H new ATOM 0 HE3 LYS A 334 -2.073 16.003 6.198 1.00 0.89 H new ATOM 0 HZ1 LYS A 334 -3.875 17.497 4.846 1.00 1.61 H new ATOM 0 HZ2 LYS A 334 -2.849 16.337 4.150 1.00 1.61 H new ATOM 0 HZ3 LYS A 334 -4.443 15.923 4.561 1.00 1.61 H new ATOM 448 N GLU A 335 -3.100 11.219 2.861 1.00 0.27 N ATOM 449 CA GLU A 335 -3.334 11.604 1.478 1.00 0.33 C ATOM 450 C GLU A 335 -2.499 10.789 0.488 1.00 0.27 C ATOM 451 O GLU A 335 -2.938 10.549 -0.640 1.00 0.34 O ATOM 452 CB GLU A 335 -3.057 13.100 1.310 1.00 0.46 C ATOM 453 CG GLU A 335 -1.737 13.550 1.915 1.00 0.56 C ATOM 454 CD GLU A 335 -1.577 15.053 1.902 1.00 0.85 C ATOM 455 OE1 GLU A 335 -2.052 15.714 2.850 1.00 1.04 O ATOM 456 OE2 GLU A 335 -0.974 15.582 0.942 1.00 1.79 O ATOM 0 H GLU A 335 -2.197 10.777 3.034 1.00 0.27 H new ATOM 0 HA GLU A 335 -4.379 11.392 1.250 1.00 0.33 H new ATOM 0 HB2 GLU A 335 -3.061 13.344 0.248 1.00 0.46 H new ATOM 0 HB3 GLU A 335 -3.868 13.664 1.770 1.00 0.46 H new ATOM 0 HG2 GLU A 335 -1.670 13.190 2.941 1.00 0.56 H new ATOM 0 HG3 GLU A 335 -0.914 13.095 1.363 1.00 0.56 H new ATOM 463 N CYS A 336 -1.316 10.347 0.898 1.00 0.23 N ATOM 464 CA CYS A 336 -0.409 9.689 -0.033 1.00 0.24 C ATOM 465 C CYS A 336 0.144 8.373 0.509 1.00 0.21 C ATOM 466 O CYS A 336 0.055 8.077 1.702 1.00 0.28 O ATOM 467 CB CYS A 336 0.744 10.631 -0.384 1.00 0.32 C ATOM 468 SG CYS A 336 0.216 12.198 -1.114 1.00 1.10 S ATOM 0 H CYS A 336 -0.967 10.430 1.853 1.00 0.23 H new ATOM 0 HA CYS A 336 -0.985 9.449 -0.926 1.00 0.24 H new ATOM 0 HB2 CYS A 336 1.319 10.838 0.519 1.00 0.32 H new ATOM 0 HB3 CYS A 336 1.414 10.125 -1.079 1.00 0.32 H new ATOM 0 HG CYS A 336 1.259 12.928 -1.375 1.00 1.10 H new ATOM 474 N VAL A 337 0.702 7.587 -0.406 1.00 0.22 N ATOM 475 CA VAL A 337 1.363 6.329 -0.083 1.00 0.21 C ATOM 476 C VAL A 337 2.744 6.319 -0.730 1.00 0.19 C ATOM 477 O VAL A 337 2.870 6.134 -1.941 1.00 0.22 O ATOM 478 CB VAL A 337 0.557 5.108 -0.591 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.274 3.807 -0.260 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.849 5.105 -0.011 1.00 0.32 C ATOM 0 H VAL A 337 0.708 7.808 -1.402 1.00 0.22 H new ATOM 0 HA VAL A 337 1.439 6.253 1.002 1.00 0.21 H new ATOM 0 HB VAL A 337 0.478 5.188 -1.675 1.00 0.26 H new ATOM 0 HG11 VAL A 337 0.688 2.965 -0.627 1.00 0.27 H new ATOM 0 HG12 VAL A 337 2.255 3.801 -0.735 1.00 0.27 H new ATOM 0 HG13 VAL A 337 1.394 3.722 0.820 1.00 0.27 H new ATOM 0 HG21 VAL A 337 -1.394 4.238 -0.383 1.00 0.32 H new ATOM 0 HG22 VAL A 337 -0.794 5.060 1.077 1.00 0.32 H new ATOM 0 HG23 VAL A 337 -1.368 6.016 -0.310 1.00 0.32 H new ATOM 490 N MET A 338 3.774 6.542 0.067 1.00 0.17 N ATOM 491 CA MET A 338 5.119 6.712 -0.470 1.00 0.17 C ATOM 492 C MET A 338 5.999 5.501 -0.187 1.00 0.16 C ATOM 493 O MET A 338 5.928 4.900 0.884 1.00 0.20 O ATOM 494 CB MET A 338 5.762 7.974 0.111 1.00 0.22 C ATOM 495 CG MET A 338 5.954 7.931 1.620 1.00 0.24 C ATOM 496 SD MET A 338 6.575 9.485 2.286 1.00 1.08 S ATOM 497 CE MET A 338 5.225 10.587 1.862 1.00 0.62 C ATOM 0 H MET A 338 3.709 6.610 1.083 1.00 0.17 H new ATOM 0 HA MET A 338 5.032 6.813 -1.552 1.00 0.17 H new ATOM 0 HB2 MET A 338 6.731 8.128 -0.364 1.00 0.22 H new ATOM 0 HB3 MET A 338 5.143 8.835 -0.142 1.00 0.22 H new ATOM 0 HG2 MET A 338 5.004 7.690 2.096 1.00 0.24 H new ATOM 0 HG3 MET A 338 6.649 7.129 1.871 1.00 0.24 H new ATOM 0 HE1 MET A 338 5.218 11.434 2.548 1.00 0.62 H new ATOM 0 HE2 MET A 338 5.356 10.947 0.842 1.00 0.62 H new ATOM 0 HE3 MET A 338 4.279 10.050 1.939 1.00 0.62 H new ATOM 507 N ARG A 339 6.821 5.143 -1.165 1.00 0.16 N ATOM 508 CA ARG A 339 7.786 4.067 -1.001 1.00 0.17 C ATOM 509 C ARG A 339 9.163 4.637 -0.694 1.00 0.16 C ATOM 510 O ARG A 339 9.867 5.105 -1.592 1.00 0.18 O ATOM 511 CB ARG A 339 7.865 3.195 -2.257 1.00 0.22 C ATOM 512 CG ARG A 339 6.563 2.500 -2.611 1.00 0.27 C ATOM 513 CD ARG A 339 6.792 1.373 -3.606 1.00 0.31 C ATOM 514 NE ARG A 339 7.330 1.839 -4.886 1.00 0.73 N ATOM 515 CZ ARG A 339 8.318 1.221 -5.538 1.00 1.03 C ATOM 516 NH1 ARG A 339 8.889 0.147 -5.012 1.00 1.15 N ATOM 517 NH2 ARG A 339 8.728 1.667 -6.720 1.00 1.55 N ATOM 0 H ARG A 339 6.837 5.585 -2.084 1.00 0.16 H new ATOM 0 HA ARG A 339 7.452 3.447 -0.169 1.00 0.17 H new ATOM 0 HB2 ARG A 339 8.174 3.815 -3.098 1.00 0.22 H new ATOM 0 HB3 ARG A 339 8.640 2.442 -2.115 1.00 0.22 H new ATOM 0 HG2 ARG A 339 6.103 2.102 -1.707 1.00 0.27 H new ATOM 0 HG3 ARG A 339 5.865 3.223 -3.032 1.00 0.27 H new ATOM 0 HD2 ARG A 339 7.480 0.647 -3.172 1.00 0.31 H new ATOM 0 HD3 ARG A 339 5.850 0.854 -3.782 1.00 0.31 H new ATOM 0 HE ARG A 339 6.929 2.680 -5.301 1.00 0.73 H new ATOM 0 HH11 ARG A 339 8.574 -0.208 -4.109 1.00 1.15 H new ATOM 0 HH12 ARG A 339 9.644 -0.325 -5.510 1.00 1.15 H new ATOM 0 HH21 ARG A 339 8.288 2.487 -7.136 1.00 1.55 H new ATOM 0 HH22 ARG A 339 9.483 1.189 -7.211 1.00 1.55 H new ATOM 531 N VAL A 340 9.535 4.613 0.573 1.00 0.18 N ATOM 532 CA VAL A 340 10.824 5.132 1.002 1.00 0.22 C ATOM 533 C VAL A 340 11.866 4.021 1.011 1.00 0.24 C ATOM 534 O VAL A 340 11.609 2.923 1.509 1.00 0.24 O ATOM 535 CB VAL A 340 10.728 5.760 2.409 1.00 0.25 C ATOM 536 CG1 VAL A 340 12.058 6.366 2.830 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.625 6.805 2.454 1.00 0.28 C ATOM 0 H VAL A 340 8.960 4.238 1.328 1.00 0.18 H new ATOM 0 HA VAL A 340 11.125 5.905 0.294 1.00 0.22 H new ATOM 0 HB VAL A 340 10.482 4.967 3.115 1.00 0.25 H new ATOM 0 HG11 VAL A 340 11.961 6.801 3.825 1.00 0.31 H new ATOM 0 HG12 VAL A 340 12.823 5.589 2.847 1.00 0.31 H new ATOM 0 HG13 VAL A 340 12.345 7.142 2.121 1.00 0.31 H new ATOM 0 HG21 VAL A 340 9.573 7.236 3.454 1.00 0.28 H new ATOM 0 HG22 VAL A 340 9.839 7.591 1.730 1.00 0.28 H new ATOM 0 HG23 VAL A 340 8.671 6.338 2.210 1.00 0.28 H new ATOM 547 N ASP A 341 13.030 4.290 0.436 1.00 0.30 N ATOM 548 CA ASP A 341 14.115 3.318 0.442 1.00 0.36 C ATOM 549 C ASP A 341 14.641 3.151 1.861 1.00 0.38 C ATOM 550 O ASP A 341 14.950 4.134 2.531 1.00 0.41 O ATOM 551 CB ASP A 341 15.240 3.750 -0.503 1.00 0.46 C ATOM 552 CG ASP A 341 16.298 2.676 -0.677 1.00 0.55 C ATOM 553 OD1 ASP A 341 16.019 1.665 -1.351 1.00 0.67 O ATOM 554 OD2 ASP A 341 17.416 2.840 -0.139 1.00 0.77 O ATOM 0 H ASP A 341 13.247 5.167 -0.038 1.00 0.30 H new ATOM 0 HA ASP A 341 13.733 2.361 0.088 1.00 0.36 H new ATOM 0 HB2 ASP A 341 14.817 4.000 -1.476 1.00 0.46 H new ATOM 0 HB3 ASP A 341 15.707 4.656 -0.117 1.00 0.46 H new ATOM 559 N GLU A 342 14.733 1.910 2.314 1.00 0.42 N ATOM 560 CA GLU A 342 15.094 1.616 3.696 1.00 0.47 C ATOM 561 C GLU A 342 16.526 2.063 3.987 1.00 0.60 C ATOM 562 O GLU A 342 16.828 2.555 5.076 1.00 0.72 O ATOM 563 CB GLU A 342 14.910 0.112 3.953 1.00 0.49 C ATOM 564 CG GLU A 342 15.049 -0.319 5.408 1.00 0.60 C ATOM 565 CD GLU A 342 16.472 -0.661 5.796 1.00 0.95 C ATOM 566 OE1 GLU A 342 17.061 -1.573 5.179 1.00 1.51 O ATOM 567 OE2 GLU A 342 17.003 -0.041 6.738 1.00 1.36 O ATOM 0 H GLU A 342 14.562 1.084 1.741 1.00 0.42 H new ATOM 0 HA GLU A 342 14.442 2.170 4.371 1.00 0.47 H new ATOM 0 HB2 GLU A 342 13.923 -0.183 3.596 1.00 0.49 H new ATOM 0 HB3 GLU A 342 15.641 -0.434 3.357 1.00 0.49 H new ATOM 0 HG2 GLU A 342 14.686 0.481 6.053 1.00 0.60 H new ATOM 0 HG3 GLU A 342 14.413 -1.186 5.586 1.00 0.60 H new ATOM 574 N LYS A 343 17.389 1.922 2.994 1.00 0.69 N ATOM 575 CA LYS A 343 18.795 2.257 3.146 1.00 0.87 C ATOM 576 C LYS A 343 19.046 3.749 2.921 1.00 0.79 C ATOM 577 O LYS A 343 19.639 4.425 3.765 1.00 0.86 O ATOM 578 CB LYS A 343 19.628 1.433 2.161 1.00 1.08 C ATOM 579 CG LYS A 343 21.126 1.647 2.290 1.00 1.36 C ATOM 580 CD LYS A 343 21.895 0.831 1.264 1.00 1.63 C ATOM 581 CE LYS A 343 23.397 0.958 1.462 1.00 2.26 C ATOM 582 NZ LYS A 343 23.833 0.403 2.771 1.00 3.06 N ATOM 0 H LYS A 343 17.138 1.575 2.068 1.00 0.69 H new ATOM 0 HA LYS A 343 19.091 2.021 4.168 1.00 0.87 H new ATOM 0 HB2 LYS A 343 19.408 0.376 2.310 1.00 1.08 H new ATOM 0 HB3 LYS A 343 19.322 1.682 1.145 1.00 1.08 H new ATOM 0 HG2 LYS A 343 21.356 2.705 2.162 1.00 1.36 H new ATOM 0 HG3 LYS A 343 21.449 1.370 3.293 1.00 1.36 H new ATOM 0 HD2 LYS A 343 21.605 -0.217 1.339 1.00 1.63 H new ATOM 0 HD3 LYS A 343 21.630 1.164 0.260 1.00 1.63 H new ATOM 0 HE2 LYS A 343 23.915 0.437 0.656 1.00 2.26 H new ATOM 0 HE3 LYS A 343 23.684 2.008 1.399 1.00 2.26 H new ATOM 0 HZ1 LYS A 343 24.863 0.258 2.761 1.00 3.06 H new ATOM 0 HZ2 LYS A 343 23.585 1.069 3.530 1.00 3.06 H new ATOM 0 HZ3 LYS A 343 23.357 -0.506 2.939 1.00 3.06 H new ATOM 596 N THR A 344 18.587 4.256 1.785 1.00 0.73 N ATOM 597 CA THR A 344 18.909 5.616 1.362 1.00 0.72 C ATOM 598 C THR A 344 17.948 6.650 1.957 1.00 0.63 C ATOM 599 O THR A 344 18.256 7.840 1.996 1.00 0.67 O ATOM 600 CB THR A 344 18.881 5.717 -0.175 1.00 0.80 C ATOM 601 OG1 THR A 344 19.371 4.495 -0.743 1.00 0.92 O ATOM 602 CG2 THR A 344 19.736 6.877 -0.661 1.00 0.92 C ATOM 0 H THR A 344 17.988 3.745 1.136 1.00 0.73 H new ATOM 0 HA THR A 344 19.910 5.837 1.732 1.00 0.72 H new ATOM 0 HB THR A 344 17.852 5.890 -0.490 1.00 0.80 H new ATOM 0 HG1 THR A 344 18.625 3.873 -0.874 1.00 0.92 H new ATOM 0 HG21 THR A 344 19.699 6.926 -1.749 1.00 0.92 H new ATOM 0 HG22 THR A 344 19.356 7.809 -0.243 1.00 0.92 H new ATOM 0 HG23 THR A 344 20.767 6.729 -0.340 1.00 0.92 H new ATOM 610 N LYS A 345 16.782 6.183 2.411 1.00 0.55 N ATOM 611 CA LYS A 345 15.759 7.047 3.020 1.00 0.52 C ATOM 612 C LYS A 345 15.131 8.000 2.001 1.00 0.53 C ATOM 613 O LYS A 345 14.457 8.962 2.370 1.00 0.61 O ATOM 614 CB LYS A 345 16.334 7.839 4.200 1.00 0.61 C ATOM 615 CG LYS A 345 16.725 6.973 5.387 1.00 0.63 C ATOM 616 CD LYS A 345 15.525 6.227 5.947 1.00 0.62 C ATOM 617 CE LYS A 345 15.889 5.434 7.192 1.00 0.71 C ATOM 618 NZ LYS A 345 16.352 6.315 8.298 1.00 1.50 N ATOM 0 H LYS A 345 16.518 5.199 2.369 1.00 0.55 H new ATOM 0 HA LYS A 345 14.973 6.389 3.390 1.00 0.52 H new ATOM 0 HB2 LYS A 345 17.210 8.393 3.862 1.00 0.61 H new ATOM 0 HB3 LYS A 345 15.598 8.574 4.525 1.00 0.61 H new ATOM 0 HG2 LYS A 345 17.490 6.259 5.082 1.00 0.63 H new ATOM 0 HG3 LYS A 345 17.164 7.597 6.166 1.00 0.63 H new ATOM 0 HD2 LYS A 345 14.734 6.937 6.186 1.00 0.62 H new ATOM 0 HD3 LYS A 345 15.129 5.552 5.188 1.00 0.62 H new ATOM 0 HE2 LYS A 345 15.023 4.861 7.523 1.00 0.71 H new ATOM 0 HE3 LYS A 345 16.672 4.716 6.948 1.00 0.71 H new ATOM 0 HZ1 LYS A 345 16.347 5.783 9.191 1.00 1.50 H new ATOM 0 HZ2 LYS A 345 17.317 6.646 8.098 1.00 1.50 H new ATOM 0 HZ3 LYS A 345 15.716 7.134 8.379 1.00 1.50 H new ATOM 632 N GLU A 346 15.331 7.714 0.723 1.00 0.53 N ATOM 633 CA GLU A 346 14.749 8.519 -0.342 1.00 0.58 C ATOM 634 C GLU A 346 13.418 7.925 -0.790 1.00 0.44 C ATOM 635 O GLU A 346 13.276 6.703 -0.866 1.00 0.42 O ATOM 636 CB GLU A 346 15.709 8.593 -1.530 1.00 0.77 C ATOM 637 CG GLU A 346 17.026 9.284 -1.214 1.00 0.95 C ATOM 638 CD GLU A 346 16.857 10.766 -0.953 1.00 1.61 C ATOM 639 OE1 GLU A 346 16.779 11.536 -1.934 1.00 1.81 O ATOM 640 OE2 GLU A 346 16.810 11.172 0.229 1.00 2.46 O ATOM 0 H GLU A 346 15.894 6.928 0.397 1.00 0.53 H new ATOM 0 HA GLU A 346 14.575 9.525 0.040 1.00 0.58 H new ATOM 0 HB2 GLU A 346 15.915 7.582 -1.882 1.00 0.77 H new ATOM 0 HB3 GLU A 346 15.220 9.121 -2.348 1.00 0.77 H new ATOM 0 HG2 GLU A 346 17.478 8.814 -0.341 1.00 0.95 H new ATOM 0 HG3 GLU A 346 17.716 9.141 -2.046 1.00 0.95 H new ATOM 647 N VAL A 347 12.444 8.781 -1.072 1.00 0.39 N ATOM 648 CA VAL A 347 11.151 8.321 -1.563 1.00 0.33 C ATOM 649 C VAL A 347 11.231 8.043 -3.058 1.00 0.31 C ATOM 650 O VAL A 347 11.288 8.967 -3.873 1.00 0.42 O ATOM 651 CB VAL A 347 10.026 9.341 -1.286 1.00 0.41 C ATOM 652 CG1 VAL A 347 8.692 8.826 -1.810 1.00 0.54 C ATOM 653 CG2 VAL A 347 9.936 9.647 0.201 1.00 0.58 C ATOM 0 H VAL A 347 12.524 9.793 -0.970 1.00 0.39 H new ATOM 0 HA VAL A 347 10.908 7.404 -1.026 1.00 0.33 H new ATOM 0 HB VAL A 347 10.265 10.265 -1.812 1.00 0.41 H new ATOM 0 HG11 VAL A 347 7.913 9.560 -1.605 1.00 0.54 H new ATOM 0 HG12 VAL A 347 8.762 8.662 -2.885 1.00 0.54 H new ATOM 0 HG13 VAL A 347 8.445 7.887 -1.316 1.00 0.54 H new ATOM 0 HG21 VAL A 347 9.137 10.368 0.376 1.00 0.58 H new ATOM 0 HG22 VAL A 347 9.723 8.729 0.749 1.00 0.58 H new ATOM 0 HG23 VAL A 347 10.883 10.064 0.545 1.00 0.58 H new ATOM 663 N ILE A 348 11.244 6.766 -3.401 1.00 0.25 N ATOM 664 CA ILE A 348 11.425 6.332 -4.779 1.00 0.26 C ATOM 665 C ILE A 348 10.178 6.608 -5.613 1.00 0.26 C ATOM 666 O ILE A 348 10.261 7.102 -6.737 1.00 0.35 O ATOM 667 CB ILE A 348 11.747 4.823 -4.836 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.962 4.506 -3.959 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.995 4.380 -6.272 1.00 0.32 C ATOM 670 CD1 ILE A 348 13.231 3.025 -3.810 1.00 0.31 C ATOM 0 H ILE A 348 11.130 6.002 -2.735 1.00 0.25 H new ATOM 0 HA ILE A 348 12.259 6.899 -5.192 1.00 0.26 H new ATOM 0 HB ILE A 348 10.888 4.272 -4.453 1.00 0.27 H new ATOM 0 HG12 ILE A 348 13.843 4.986 -4.386 1.00 0.29 H new ATOM 0 HG13 ILE A 348 12.810 4.940 -2.971 1.00 0.29 H new ATOM 0 HG21 ILE A 348 12.220 3.314 -6.290 1.00 0.32 H new ATOM 0 HG22 ILE A 348 11.105 4.573 -6.871 1.00 0.32 H new ATOM 0 HG23 ILE A 348 12.837 4.936 -6.684 1.00 0.32 H new ATOM 0 HD11 ILE A 348 14.105 2.876 -3.176 1.00 0.31 H new ATOM 0 HD12 ILE A 348 12.366 2.542 -3.355 1.00 0.31 H new ATOM 0 HD13 ILE A 348 13.415 2.588 -4.791 1.00 0.31 H new ATOM 682 N GLN A 349 9.023 6.287 -5.053 1.00 0.23 N ATOM 683 CA GLN A 349 7.769 6.421 -5.773 1.00 0.23 C ATOM 684 C GLN A 349 6.648 6.736 -4.795 1.00 0.22 C ATOM 685 O GLN A 349 6.612 6.187 -3.692 1.00 0.29 O ATOM 686 CB GLN A 349 7.475 5.127 -6.528 1.00 0.28 C ATOM 687 CG GLN A 349 6.449 5.270 -7.638 1.00 0.40 C ATOM 688 CD GLN A 349 6.261 3.977 -8.403 1.00 0.86 C ATOM 689 OE1 GLN A 349 7.176 3.157 -8.489 1.00 1.65 O ATOM 690 NE2 GLN A 349 5.088 3.793 -8.977 1.00 0.81 N ATOM 0 H GLN A 349 8.929 5.932 -4.102 1.00 0.23 H new ATOM 0 HA GLN A 349 7.843 7.238 -6.491 1.00 0.23 H new ATOM 0 HB2 GLN A 349 8.404 4.750 -6.955 1.00 0.28 H new ATOM 0 HB3 GLN A 349 7.123 4.378 -5.818 1.00 0.28 H new ATOM 0 HG2 GLN A 349 5.495 5.582 -7.213 1.00 0.40 H new ATOM 0 HG3 GLN A 349 6.764 6.056 -8.325 1.00 0.40 H new ATOM 0 HE21 GLN A 349 4.357 4.498 -8.881 1.00 0.81 H new ATOM 0 HE22 GLN A 349 4.912 2.946 -9.517 1.00 0.81 H new ATOM 699 N GLU A 350 5.746 7.618 -5.190 1.00 0.23 N ATOM 700 CA GLU A 350 4.684 8.068 -4.308 1.00 0.25 C ATOM 701 C GLU A 350 3.324 7.982 -4.995 1.00 0.26 C ATOM 702 O GLU A 350 3.135 8.500 -6.099 1.00 0.36 O ATOM 703 CB GLU A 350 4.963 9.508 -3.878 1.00 0.30 C ATOM 704 CG GLU A 350 3.994 10.047 -2.844 1.00 0.36 C ATOM 705 CD GLU A 350 4.208 11.518 -2.577 1.00 0.45 C ATOM 706 OE1 GLU A 350 5.229 11.874 -1.947 1.00 0.65 O ATOM 707 OE2 GLU A 350 3.362 12.332 -3.006 1.00 0.60 O ATOM 0 H GLU A 350 5.728 8.038 -6.119 1.00 0.23 H new ATOM 0 HA GLU A 350 4.658 7.419 -3.433 1.00 0.25 H new ATOM 0 HB2 GLU A 350 5.975 9.566 -3.476 1.00 0.30 H new ATOM 0 HB3 GLU A 350 4.932 10.150 -4.758 1.00 0.30 H new ATOM 0 HG2 GLU A 350 2.972 9.886 -3.187 1.00 0.36 H new ATOM 0 HG3 GLU A 350 4.110 9.490 -1.914 1.00 0.36 H new ATOM 714 N TRP A 351 2.385 7.313 -4.341 1.00 0.23 N ATOM 715 CA TRP A 351 1.016 7.240 -4.823 1.00 0.26 C ATOM 716 C TRP A 351 0.115 8.097 -3.950 1.00 0.25 C ATOM 717 O TRP A 351 0.554 8.652 -2.945 1.00 0.52 O ATOM 718 CB TRP A 351 0.500 5.800 -4.809 1.00 0.30 C ATOM 719 CG TRP A 351 1.254 4.873 -5.706 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.251 4.869 -7.070 1.00 0.38 C ATOM 721 CD2 TRP A 351 2.100 3.795 -5.301 1.00 0.30 C ATOM 722 NE1 TRP A 351 2.056 3.861 -7.539 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.588 3.187 -6.471 1.00 0.34 C ATOM 724 CE3 TRP A 351 2.496 3.290 -4.060 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.451 2.096 -6.435 1.00 0.38 C ATOM 726 CZ3 TRP A 351 3.351 2.208 -4.028 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.822 1.622 -5.208 1.00 0.39 C ATOM 0 H TRP A 351 2.550 6.810 -3.469 1.00 0.23 H new ATOM 0 HA TRP A 351 1.003 7.607 -5.849 1.00 0.26 H new ATOM 0 HB2 TRP A 351 0.546 5.419 -3.789 1.00 0.30 H new ATOM 0 HB3 TRP A 351 -0.550 5.799 -5.103 1.00 0.30 H new ATOM 0 HD1 TRP A 351 0.697 5.558 -7.690 1.00 0.38 H new ATOM 0 HE1 TRP A 351 2.230 3.648 -8.521 1.00 0.41 H new ATOM 0 HE3 TRP A 351 2.140 3.738 -3.144 1.00 0.35 H new ATOM 0 HZ2 TRP A 351 3.815 1.640 -7.344 1.00 0.38 H new ATOM 0 HZ3 TRP A 351 3.662 1.806 -3.075 1.00 0.40 H new ATOM 0 HH2 TRP A 351 4.493 0.778 -5.148 1.00 0.39 H new ATOM 738 N SER A 352 -1.148 8.183 -4.319 1.00 0.31 N ATOM 739 CA SER A 352 -2.117 8.941 -3.553 1.00 0.30 C ATOM 740 C SER A 352 -3.292 8.042 -3.191 1.00 0.26 C ATOM 741 O SER A 352 -3.596 7.101 -3.925 1.00 0.28 O ATOM 742 CB SER A 352 -2.595 10.143 -4.369 1.00 0.35 C ATOM 743 OG SER A 352 -1.496 10.847 -4.927 1.00 1.27 O ATOM 0 H SER A 352 -1.529 7.733 -5.151 1.00 0.31 H new ATOM 0 HA SER A 352 -1.655 9.305 -2.636 1.00 0.30 H new ATOM 0 HB2 SER A 352 -3.258 9.806 -5.166 1.00 0.35 H new ATOM 0 HB3 SER A 352 -3.175 10.812 -3.733 1.00 0.35 H new ATOM 0 HG SER A 352 -1.826 11.610 -5.446 1.00 1.27 H new ATOM 749 N LEU A 353 -3.943 8.323 -2.065 1.00 0.25 N ATOM 750 CA LEU A 353 -5.088 7.523 -1.620 1.00 0.24 C ATOM 751 C LEU A 353 -6.221 7.596 -2.639 1.00 0.23 C ATOM 752 O LEU A 353 -7.008 6.663 -2.787 1.00 0.23 O ATOM 753 CB LEU A 353 -5.592 8.007 -0.257 1.00 0.25 C ATOM 754 CG LEU A 353 -4.566 7.976 0.878 1.00 0.26 C ATOM 755 CD1 LEU A 353 -5.212 8.401 2.188 1.00 0.31 C ATOM 756 CD2 LEU A 353 -3.950 6.593 1.012 1.00 0.26 C ATOM 0 H LEU A 353 -3.701 9.095 -1.444 1.00 0.25 H new ATOM 0 HA LEU A 353 -4.757 6.489 -1.527 1.00 0.24 H new ATOM 0 HB2 LEU A 353 -5.955 9.029 -0.366 1.00 0.25 H new ATOM 0 HB3 LEU A 353 -6.446 7.395 0.033 1.00 0.25 H new ATOM 0 HG LEU A 353 -3.770 8.681 0.638 1.00 0.26 H new ATOM 0 HD11 LEU A 353 -4.469 8.374 2.986 1.00 0.31 H new ATOM 0 HD12 LEU A 353 -5.602 9.414 2.090 1.00 0.31 H new ATOM 0 HD13 LEU A 353 -6.028 7.720 2.429 1.00 0.31 H new ATOM 0 HD21 LEU A 353 -3.224 6.595 1.825 1.00 0.26 H new ATOM 0 HD22 LEU A 353 -4.733 5.865 1.227 1.00 0.26 H new ATOM 0 HD23 LEU A 353 -3.451 6.325 0.081 1.00 0.26 H new ATOM 768 N THR A 354 -6.278 8.711 -3.349 1.00 0.26 N ATOM 769 CA THR A 354 -7.289 8.938 -4.365 1.00 0.28 C ATOM 770 C THR A 354 -7.040 8.080 -5.611 1.00 0.28 C ATOM 771 O THR A 354 -7.926 7.902 -6.450 1.00 0.35 O ATOM 772 CB THR A 354 -7.293 10.419 -4.774 1.00 0.36 C ATOM 773 OG1 THR A 354 -6.003 10.778 -5.286 1.00 0.44 O ATOM 774 CG2 THR A 354 -7.625 11.323 -3.595 1.00 0.42 C ATOM 0 H THR A 354 -5.623 9.485 -3.236 1.00 0.26 H new ATOM 0 HA THR A 354 -8.253 8.659 -3.939 1.00 0.28 H new ATOM 0 HB THR A 354 -8.058 10.553 -5.538 1.00 0.36 H new ATOM 0 HG1 THR A 354 -6.006 11.722 -5.548 1.00 0.44 H new ATOM 0 HG21 THR A 354 -7.619 12.363 -3.921 1.00 0.42 H new ATOM 0 HG22 THR A 354 -8.612 11.070 -3.209 1.00 0.42 H new ATOM 0 HG23 THR A 354 -6.882 11.185 -2.810 1.00 0.42 H new ATOM 782 N ASN A 355 -5.826 7.545 -5.723 1.00 0.26 N ATOM 783 CA ASN A 355 -5.425 6.780 -6.902 1.00 0.30 C ATOM 784 C ASN A 355 -5.471 5.285 -6.626 1.00 0.28 C ATOM 785 O ASN A 355 -5.070 4.474 -7.462 1.00 0.33 O ATOM 786 CB ASN A 355 -4.015 7.180 -7.354 1.00 0.37 C ATOM 787 CG ASN A 355 -3.949 8.609 -7.861 1.00 0.49 C ATOM 788 OD1 ASN A 355 -4.921 9.134 -8.397 1.00 0.83 O ATOM 789 ND2 ASN A 355 -2.799 9.249 -7.701 1.00 0.66 N ATOM 0 H ASN A 355 -5.101 7.627 -5.010 1.00 0.26 H new ATOM 0 HA ASN A 355 -6.132 7.009 -7.700 1.00 0.30 H new ATOM 0 HB2 ASN A 355 -3.323 7.062 -6.520 1.00 0.37 H new ATOM 0 HB3 ASN A 355 -3.684 6.503 -8.142 1.00 0.37 H new ATOM 0 HD21 ASN A 355 -2.700 10.210 -8.028 1.00 0.66 H new ATOM 0 HD22 ASN A 355 -2.013 8.780 -7.251 1.00 0.66 H new ATOM 796 N ILE A 356 -5.967 4.923 -5.453 1.00 0.26 N ATOM 797 CA ILE A 356 -6.069 3.525 -5.071 1.00 0.28 C ATOM 798 C ILE A 356 -7.403 2.947 -5.526 1.00 0.28 C ATOM 799 O ILE A 356 -8.459 3.521 -5.266 1.00 0.38 O ATOM 800 CB ILE A 356 -5.926 3.347 -3.544 1.00 0.31 C ATOM 801 CG1 ILE A 356 -4.579 3.904 -3.069 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.061 1.879 -3.165 1.00 0.36 C ATOM 803 CD1 ILE A 356 -4.365 3.792 -1.574 1.00 0.38 C ATOM 0 H ILE A 356 -6.305 5.579 -4.749 1.00 0.26 H new ATOM 0 HA ILE A 356 -5.254 2.991 -5.560 1.00 0.28 H new ATOM 0 HB ILE A 356 -6.724 3.903 -3.052 1.00 0.31 H new ATOM 0 HG12 ILE A 356 -3.776 3.375 -3.582 1.00 0.33 H new ATOM 0 HG13 ILE A 356 -4.507 4.952 -3.360 1.00 0.33 H new ATOM 0 HG21 ILE A 356 -5.958 1.771 -2.085 1.00 0.36 H new ATOM 0 HG22 ILE A 356 -7.040 1.512 -3.474 1.00 0.36 H new ATOM 0 HG23 ILE A 356 -5.283 1.301 -3.663 1.00 0.36 H new ATOM 0 HD11 ILE A 356 -3.391 4.206 -1.314 1.00 0.38 H new ATOM 0 HD12 ILE A 356 -5.146 4.345 -1.052 1.00 0.38 H new ATOM 0 HD13 ILE A 356 -4.404 2.744 -1.278 1.00 0.38 H new ATOM 815 N LYS A 357 -7.356 1.822 -6.218 1.00 0.26 N ATOM 816 CA LYS A 357 -8.566 1.159 -6.675 1.00 0.30 C ATOM 817 C LYS A 357 -9.116 0.280 -5.560 1.00 0.31 C ATOM 818 O LYS A 357 -10.268 0.412 -5.150 1.00 0.45 O ATOM 819 CB LYS A 357 -8.265 0.320 -7.921 1.00 0.35 C ATOM 820 CG LYS A 357 -9.492 -0.319 -8.548 1.00 0.46 C ATOM 821 CD LYS A 357 -9.119 -1.182 -9.743 1.00 0.60 C ATOM 822 CE LYS A 357 -10.351 -1.710 -10.461 1.00 0.79 C ATOM 823 NZ LYS A 357 -11.182 -0.611 -11.018 1.00 1.75 N ATOM 0 H LYS A 357 -6.491 1.347 -6.476 1.00 0.26 H new ATOM 0 HA LYS A 357 -9.314 1.908 -6.936 1.00 0.30 H new ATOM 0 HB2 LYS A 357 -7.778 0.953 -8.663 1.00 0.35 H new ATOM 0 HB3 LYS A 357 -7.555 -0.464 -7.656 1.00 0.35 H new ATOM 0 HG2 LYS A 357 -10.007 -0.927 -7.805 1.00 0.46 H new ATOM 0 HG3 LYS A 357 -10.189 0.458 -8.862 1.00 0.46 H new ATOM 0 HD2 LYS A 357 -8.514 -0.600 -10.438 1.00 0.60 H new ATOM 0 HD3 LYS A 357 -8.505 -2.019 -9.410 1.00 0.60 H new ATOM 0 HE2 LYS A 357 -10.044 -2.377 -11.267 1.00 0.79 H new ATOM 0 HE3 LYS A 357 -10.949 -2.302 -9.768 1.00 0.79 H new ATOM 0 HZ1 LYS A 357 -11.836 -0.996 -11.729 1.00 1.75 H new ATOM 0 HZ2 LYS A 357 -11.727 -0.165 -10.252 1.00 1.75 H new ATOM 0 HZ3 LYS A 357 -10.566 0.099 -11.463 1.00 1.75 H new ATOM 837 N ARG A 358 -8.263 -0.601 -5.063 1.00 0.26 N ATOM 838 CA ARG A 358 -8.609 -1.506 -3.980 1.00 0.29 C ATOM 839 C ARG A 358 -7.335 -2.083 -3.387 1.00 0.28 C ATOM 840 O ARG A 358 -6.259 -1.915 -3.960 1.00 0.35 O ATOM 841 CB ARG A 358 -9.521 -2.633 -4.482 1.00 0.34 C ATOM 842 CG ARG A 358 -8.959 -3.397 -5.670 1.00 0.37 C ATOM 843 CD ARG A 358 -9.930 -4.457 -6.164 1.00 0.54 C ATOM 844 NE ARG A 358 -11.230 -3.885 -6.513 1.00 0.83 N ATOM 845 CZ ARG A 358 -12.293 -4.600 -6.873 1.00 1.19 C ATOM 846 NH1 ARG A 358 -12.203 -5.916 -7.015 1.00 1.46 N ATOM 847 NH2 ARG A 358 -13.441 -3.986 -7.110 1.00 1.75 N ATOM 0 H ARG A 358 -7.307 -0.709 -5.401 1.00 0.26 H new ATOM 0 HA ARG A 358 -9.151 -0.953 -3.213 1.00 0.29 H new ATOM 0 HB2 ARG A 358 -9.701 -3.332 -3.665 1.00 0.34 H new ATOM 0 HB3 ARG A 358 -10.487 -2.210 -4.759 1.00 0.34 H new ATOM 0 HG2 ARG A 358 -8.737 -2.701 -6.479 1.00 0.37 H new ATOM 0 HG3 ARG A 358 -8.018 -3.868 -5.388 1.00 0.37 H new ATOM 0 HD2 ARG A 358 -9.508 -4.958 -7.035 1.00 0.54 H new ATOM 0 HD3 ARG A 358 -10.062 -5.216 -5.393 1.00 0.54 H new ATOM 0 HE ARG A 358 -11.328 -2.870 -6.478 1.00 0.83 H new ATOM 0 HH11 ARG A 358 -11.314 -6.387 -6.848 1.00 1.46 H new ATOM 0 HH12 ARG A 358 -13.023 -6.456 -7.291 1.00 1.46 H new ATOM 0 HH21 ARG A 358 -13.506 -2.972 -7.016 1.00 1.75 H new ATOM 0 HH22 ARG A 358 -14.261 -4.526 -7.386 1.00 1.75 H new ATOM 861 N TRP A 359 -7.441 -2.739 -2.246 1.00 0.25 N ATOM 862 CA TRP A 359 -6.282 -3.372 -1.643 1.00 0.27 C ATOM 863 C TRP A 359 -6.655 -4.702 -1.007 1.00 0.28 C ATOM 864 O TRP A 359 -7.796 -4.904 -0.581 1.00 0.36 O ATOM 865 CB TRP A 359 -5.618 -2.444 -0.615 1.00 0.28 C ATOM 866 CG TRP A 359 -6.524 -1.971 0.483 1.00 0.27 C ATOM 867 CD1 TRP A 359 -6.744 -2.578 1.685 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.318 -0.779 0.487 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.625 -1.836 2.435 1.00 0.35 N ATOM 870 CE2 TRP A 359 -7.992 -0.729 1.720 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.524 0.250 -0.435 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -8.856 0.310 2.054 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.381 1.280 -0.102 1.00 0.40 C ATOM 874 CH2 TRP A 359 -9.038 1.303 1.133 1.00 0.39 C ATOM 0 H TRP A 359 -8.309 -2.847 -1.722 1.00 0.25 H new ATOM 0 HA TRP A 359 -5.561 -3.568 -2.436 1.00 0.27 H new ATOM 0 HB2 TRP A 359 -4.771 -2.966 -0.169 1.00 0.28 H new ATOM 0 HB3 TRP A 359 -5.218 -1.575 -1.136 1.00 0.28 H new ATOM 0 HD1 TRP A 359 -6.292 -3.506 2.001 1.00 0.36 H new ATOM 0 HE1 TRP A 359 -7.952 -2.072 3.372 1.00 0.35 H new ATOM 0 HE3 TRP A 359 -7.022 0.240 -1.391 1.00 0.32 H new ATOM 0 HZ2 TRP A 359 -9.364 0.331 3.007 1.00 0.33 H new ATOM 0 HZ3 TRP A 359 -8.547 2.081 -0.807 1.00 0.40 H new ATOM 0 HH2 TRP A 359 -9.703 2.122 1.363 1.00 0.39 H new ATOM 885 N ALA A 360 -5.690 -5.608 -0.971 1.00 0.25 N ATOM 886 CA ALA A 360 -5.883 -6.923 -0.386 1.00 0.27 C ATOM 887 C ALA A 360 -5.022 -7.089 0.848 1.00 0.25 C ATOM 888 O ALA A 360 -3.794 -7.015 0.780 1.00 0.31 O ATOM 889 CB ALA A 360 -5.586 -8.012 -1.402 1.00 0.31 C ATOM 0 H ALA A 360 -4.754 -5.452 -1.346 1.00 0.25 H new ATOM 0 HA ALA A 360 -6.927 -7.015 -0.087 1.00 0.27 H new ATOM 0 HB1 ALA A 360 -5.737 -8.989 -0.943 1.00 0.31 H new ATOM 0 HB2 ALA A 360 -6.255 -7.905 -2.256 1.00 0.31 H new ATOM 0 HB3 ALA A 360 -4.553 -7.925 -1.738 1.00 0.31 H new ATOM 895 N ALA A 361 -5.678 -7.304 1.973 1.00 0.26 N ATOM 896 CA ALA A 361 -4.997 -7.447 3.242 1.00 0.27 C ATOM 897 C ALA A 361 -4.945 -8.907 3.661 1.00 0.25 C ATOM 898 O ALA A 361 -5.975 -9.571 3.767 1.00 0.38 O ATOM 899 CB ALA A 361 -5.694 -6.614 4.302 1.00 0.35 C ATOM 0 H ALA A 361 -6.693 -7.384 2.031 1.00 0.26 H new ATOM 0 HA ALA A 361 -3.973 -7.089 3.131 1.00 0.27 H new ATOM 0 HB1 ALA A 361 -5.175 -6.728 5.254 1.00 0.35 H new ATOM 0 HB2 ALA A 361 -5.683 -5.565 4.006 1.00 0.35 H new ATOM 0 HB3 ALA A 361 -6.725 -6.950 4.409 1.00 0.35 H new ATOM 905 N SER A 362 -3.743 -9.413 3.862 1.00 0.32 N ATOM 906 CA SER A 362 -3.550 -10.778 4.315 1.00 0.40 C ATOM 907 C SER A 362 -2.387 -10.840 5.302 1.00 0.42 C ATOM 908 O SER A 362 -1.548 -9.939 5.328 1.00 0.44 O ATOM 909 CB SER A 362 -3.299 -11.693 3.115 1.00 0.47 C ATOM 910 OG SER A 362 -4.393 -11.653 2.210 1.00 1.00 O ATOM 0 H SER A 362 -2.877 -8.893 3.717 1.00 0.32 H new ATOM 0 HA SER A 362 -4.450 -11.121 4.826 1.00 0.40 H new ATOM 0 HB2 SER A 362 -2.387 -11.386 2.603 1.00 0.47 H new ATOM 0 HB3 SER A 362 -3.143 -12.716 3.459 1.00 0.47 H new ATOM 0 HG SER A 362 -4.210 -12.244 1.450 1.00 1.00 H new ATOM 916 N PRO A 363 -2.326 -11.896 6.133 1.00 0.46 N ATOM 917 CA PRO A 363 -1.274 -12.048 7.147 1.00 0.48 C ATOM 918 C PRO A 363 0.108 -12.325 6.551 1.00 0.45 C ATOM 919 O PRO A 363 1.117 -12.267 7.256 1.00 0.66 O ATOM 920 CB PRO A 363 -1.743 -13.249 7.973 1.00 0.58 C ATOM 921 CG PRO A 363 -2.620 -14.025 7.053 1.00 0.60 C ATOM 922 CD PRO A 363 -3.294 -13.010 6.173 1.00 0.53 C ATOM 0 HA PRO A 363 -1.147 -11.131 7.722 1.00 0.48 H new ATOM 0 HB2 PRO A 363 -0.899 -13.848 8.314 1.00 0.58 H new ATOM 0 HB3 PRO A 363 -2.287 -12.929 8.862 1.00 0.58 H new ATOM 0 HG2 PRO A 363 -2.037 -14.730 6.460 1.00 0.60 H new ATOM 0 HG3 PRO A 363 -3.354 -14.607 7.611 1.00 0.60 H new ATOM 0 HD2 PRO A 363 -3.490 -13.408 5.177 1.00 0.53 H new ATOM 0 HD3 PRO A 363 -4.253 -12.695 6.585 1.00 0.53 H new ATOM 930 N LYS A 364 0.160 -12.638 5.262 1.00 0.44 N ATOM 931 CA LYS A 364 1.434 -12.918 4.614 1.00 0.44 C ATOM 932 C LYS A 364 1.787 -11.852 3.580 1.00 0.37 C ATOM 933 O LYS A 364 2.958 -11.524 3.397 1.00 0.40 O ATOM 934 CB LYS A 364 1.415 -14.294 3.945 1.00 0.56 C ATOM 935 CG LYS A 364 2.778 -14.731 3.429 1.00 0.72 C ATOM 936 CD LYS A 364 2.691 -16.026 2.638 1.00 0.98 C ATOM 937 CE LYS A 364 4.070 -16.542 2.256 1.00 1.26 C ATOM 938 NZ LYS A 364 4.838 -15.556 1.450 1.00 2.08 N ATOM 0 H LYS A 364 -0.655 -12.704 4.652 1.00 0.44 H new ATOM 0 HA LYS A 364 2.197 -12.908 5.393 1.00 0.44 H new ATOM 0 HB2 LYS A 364 1.051 -15.033 4.659 1.00 0.56 H new ATOM 0 HB3 LYS A 364 0.708 -14.277 3.115 1.00 0.56 H new ATOM 0 HG2 LYS A 364 3.197 -13.947 2.798 1.00 0.72 H new ATOM 0 HG3 LYS A 364 3.460 -14.863 4.269 1.00 0.72 H new ATOM 0 HD2 LYS A 364 2.171 -16.780 3.229 1.00 0.98 H new ATOM 0 HD3 LYS A 364 2.100 -15.864 1.737 1.00 0.98 H new ATOM 0 HE2 LYS A 364 4.629 -16.783 3.160 1.00 1.26 H new ATOM 0 HE3 LYS A 364 3.965 -17.468 1.690 1.00 1.26 H new ATOM 0 HZ1 LYS A 364 5.727 -15.988 1.128 1.00 2.08 H new ATOM 0 HZ2 LYS A 364 4.274 -15.268 0.625 1.00 2.08 H new ATOM 0 HZ3 LYS A 364 5.050 -14.721 2.033 1.00 2.08 H new ATOM 952 N SER A 365 0.788 -11.317 2.892 1.00 0.35 N ATOM 953 CA SER A 365 1.049 -10.362 1.824 1.00 0.34 C ATOM 954 C SER A 365 -0.022 -9.279 1.759 1.00 0.32 C ATOM 955 O SER A 365 -1.185 -9.511 2.095 1.00 0.52 O ATOM 956 CB SER A 365 1.131 -11.093 0.482 1.00 0.40 C ATOM 957 OG SER A 365 2.059 -12.166 0.545 1.00 1.32 O ATOM 0 H SER A 365 -0.198 -11.524 3.051 1.00 0.35 H new ATOM 0 HA SER A 365 2.001 -9.876 2.038 1.00 0.34 H new ATOM 0 HB2 SER A 365 0.147 -11.474 0.210 1.00 0.40 H new ATOM 0 HB3 SER A 365 1.429 -10.394 -0.300 1.00 0.40 H new ATOM 0 HG SER A 365 2.094 -12.620 -0.323 1.00 1.32 H new ATOM 963 N PHE A 366 0.389 -8.100 1.322 1.00 0.19 N ATOM 964 CA PHE A 366 -0.509 -6.975 1.140 1.00 0.16 C ATOM 965 C PHE A 366 -0.406 -6.482 -0.300 1.00 0.16 C ATOM 966 O PHE A 366 0.691 -6.215 -0.791 1.00 0.28 O ATOM 967 CB PHE A 366 -0.151 -5.856 2.125 1.00 0.19 C ATOM 968 CG PHE A 366 -1.041 -4.649 2.034 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.349 -4.702 2.483 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.563 -3.459 1.508 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.167 -3.593 2.409 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.378 -2.346 1.431 1.00 0.29 C ATOM 973 CZ PHE A 366 -2.681 -2.413 1.883 1.00 0.30 C ATOM 0 H PHE A 366 1.360 -7.897 1.083 1.00 0.19 H new ATOM 0 HA PHE A 366 -1.535 -7.285 1.336 1.00 0.16 H new ATOM 0 HB2 PHE A 366 -0.197 -6.252 3.140 1.00 0.19 H new ATOM 0 HB3 PHE A 366 0.880 -5.548 1.949 1.00 0.19 H new ATOM 0 HD1 PHE A 366 -2.734 -5.622 2.896 1.00 0.23 H new ATOM 0 HD2 PHE A 366 0.456 -3.401 1.155 1.00 0.25 H new ATOM 0 HE1 PHE A 366 -4.186 -3.648 2.762 1.00 0.28 H new ATOM 0 HE2 PHE A 366 -0.996 -1.424 1.018 1.00 0.29 H new ATOM 0 HZ PHE A 366 -3.319 -1.543 1.825 1.00 0.30 H new ATOM 983 N THR A 367 -1.537 -6.386 -0.977 1.00 0.17 N ATOM 984 CA THR A 367 -1.549 -6.018 -2.384 1.00 0.19 C ATOM 985 C THR A 367 -2.317 -4.719 -2.612 1.00 0.19 C ATOM 986 O THR A 367 -3.426 -4.548 -2.110 1.00 0.27 O ATOM 987 CB THR A 367 -2.174 -7.141 -3.236 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.512 -8.382 -2.956 1.00 0.34 O ATOM 989 CG2 THR A 367 -2.071 -6.832 -4.722 1.00 0.32 C ATOM 0 H THR A 367 -2.459 -6.557 -0.576 1.00 0.17 H new ATOM 0 HA THR A 367 -0.513 -5.868 -2.689 1.00 0.19 H new ATOM 0 HB THR A 367 -3.230 -7.216 -2.977 1.00 0.26 H new ATOM 0 HG1 THR A 367 -1.911 -9.095 -3.497 1.00 0.34 H new ATOM 0 HG21 THR A 367 -2.521 -7.643 -5.294 1.00 0.32 H new ATOM 0 HG22 THR A 367 -2.596 -5.901 -4.937 1.00 0.32 H new ATOM 0 HG23 THR A 367 -1.022 -6.730 -5.000 1.00 0.32 H new ATOM 997 N LEU A 368 -1.706 -3.805 -3.353 1.00 0.20 N ATOM 998 CA LEU A 368 -2.348 -2.555 -3.722 1.00 0.22 C ATOM 999 C LEU A 368 -2.696 -2.549 -5.206 1.00 0.23 C ATOM 1000 O LEU A 368 -1.822 -2.719 -6.061 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.439 -1.365 -3.398 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.323 -1.015 -1.914 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.275 0.064 -1.701 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -2.670 -0.555 -1.375 1.00 0.25 C ATOM 0 H LEU A 368 -0.757 -3.910 -3.712 1.00 0.20 H new ATOM 0 HA LEU A 368 -3.267 -2.464 -3.143 1.00 0.22 H new ATOM 0 HB2 LEU A 368 -0.441 -1.576 -3.784 1.00 0.24 H new ATOM 0 HB3 LEU A 368 -1.809 -0.490 -3.933 1.00 0.24 H new ATOM 0 HG LEU A 368 -1.014 -1.908 -1.371 1.00 0.25 H new ATOM 0 HD11 LEU A 368 -0.206 0.300 -0.639 1.00 0.29 H new ATOM 0 HD12 LEU A 368 0.692 -0.292 -2.057 1.00 0.29 H new ATOM 0 HD13 LEU A 368 -0.557 0.960 -2.254 1.00 0.29 H new ATOM 0 HD21 LEU A 368 -2.574 -0.309 -0.318 1.00 0.25 H new ATOM 0 HD22 LEU A 368 -3.000 0.327 -1.924 1.00 0.25 H new ATOM 0 HD23 LEU A 368 -3.402 -1.353 -1.497 1.00 0.25 H new ATOM 1016 N ASP A 369 -3.974 -2.364 -5.499 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.454 -2.278 -6.872 1.00 0.24 C ATOM 1018 C ASP A 369 -4.681 -0.825 -7.254 1.00 0.21 C ATOM 1019 O ASP A 369 -5.417 -0.107 -6.576 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.768 -3.046 -7.040 1.00 0.31 C ATOM 1021 CG ASP A 369 -5.590 -4.549 -7.118 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -5.012 -5.124 -6.170 1.00 1.52 O ATOM 1023 OD2 ASP A 369 -6.017 -5.160 -8.116 1.00 1.47 O ATOM 0 H ASP A 369 -4.706 -2.269 -4.795 1.00 0.21 H new ATOM 0 HA ASP A 369 -3.697 -2.720 -7.521 1.00 0.24 H new ATOM 0 HB2 ASP A 369 -6.426 -2.810 -6.204 1.00 0.31 H new ATOM 0 HB3 ASP A 369 -6.267 -2.701 -7.945 1.00 0.31 H new ATOM 1028 N PHE A 370 -4.049 -0.385 -8.333 1.00 0.25 N ATOM 1029 CA PHE A 370 -4.220 0.985 -8.802 1.00 0.26 C ATOM 1030 C PHE A 370 -4.934 1.014 -10.153 1.00 0.31 C ATOM 1031 O PHE A 370 -5.425 2.057 -10.589 1.00 0.35 O ATOM 1032 CB PHE A 370 -2.865 1.692 -8.895 1.00 0.31 C ATOM 1033 CG PHE A 370 -2.132 1.738 -7.584 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.476 2.666 -6.615 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -1.107 0.845 -7.316 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -1.812 2.703 -5.404 1.00 0.41 C ATOM 1037 CE2 PHE A 370 -0.437 0.878 -6.108 1.00 0.42 C ATOM 1038 CZ PHE A 370 -0.792 1.807 -5.151 1.00 0.44 C ATOM 0 H PHE A 370 -3.417 -0.952 -8.898 1.00 0.25 H new ATOM 0 HA PHE A 370 -4.840 1.517 -8.080 1.00 0.26 H new ATOM 0 HB2 PHE A 370 -2.246 1.182 -9.633 1.00 0.31 H new ATOM 0 HB3 PHE A 370 -3.017 2.709 -9.255 1.00 0.31 H new ATOM 0 HD1 PHE A 370 -3.273 3.369 -6.808 1.00 0.35 H new ATOM 0 HD2 PHE A 370 -0.828 0.114 -8.061 1.00 0.37 H new ATOM 0 HE1 PHE A 370 -2.090 3.431 -4.657 1.00 0.41 H new ATOM 0 HE2 PHE A 370 0.363 0.179 -5.913 1.00 0.42 H new ATOM 0 HZ PHE A 370 -0.272 1.833 -4.205 1.00 0.44 H new ATOM 1048 N GLY A 371 -4.992 -0.138 -10.809 1.00 0.40 N ATOM 1049 CA GLY A 371 -5.710 -0.247 -12.066 1.00 0.50 C ATOM 1050 C GLY A 371 -4.961 0.372 -13.231 1.00 0.49 C ATOM 1051 O GLY A 371 -3.889 -0.096 -13.608 1.00 0.58 O ATOM 0 H GLY A 371 -4.553 -1.002 -10.492 1.00 0.40 H new ATOM 0 HA2 GLY A 371 -5.899 -1.299 -12.280 1.00 0.50 H new ATOM 0 HA3 GLY A 371 -6.681 0.238 -11.967 1.00 0.50 H new ATOM 1055 N ASP A 372 -5.518 1.442 -13.784 1.00 0.49 N ATOM 1056 CA ASP A 372 -4.956 2.083 -14.973 1.00 0.56 C ATOM 1057 C ASP A 372 -3.843 3.062 -14.602 1.00 0.55 C ATOM 1058 O ASP A 372 -3.289 3.753 -15.454 1.00 0.72 O ATOM 1059 CB ASP A 372 -6.067 2.804 -15.750 1.00 0.71 C ATOM 1060 CG ASP A 372 -5.578 3.455 -17.034 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -5.123 2.730 -17.943 1.00 1.89 O ATOM 1062 OD2 ASP A 372 -5.639 4.697 -17.134 1.00 2.38 O ATOM 0 H ASP A 372 -6.363 1.889 -13.428 1.00 0.49 H new ATOM 0 HA ASP A 372 -4.520 1.310 -15.605 1.00 0.56 H new ATOM 0 HB2 ASP A 372 -6.855 2.090 -15.990 1.00 0.71 H new ATOM 0 HB3 ASP A 372 -6.512 3.567 -15.111 1.00 0.71 H new ATOM 1067 N TYR A 373 -3.482 3.092 -13.330 1.00 0.52 N ATOM 1068 CA TYR A 373 -2.461 4.019 -12.866 1.00 0.51 C ATOM 1069 C TYR A 373 -1.074 3.413 -13.070 1.00 0.52 C ATOM 1070 O TYR A 373 -0.071 4.125 -13.109 1.00 0.60 O ATOM 1071 CB TYR A 373 -2.686 4.367 -11.390 1.00 0.50 C ATOM 1072 CG TYR A 373 -1.883 5.557 -10.912 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -2.330 6.854 -11.137 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -0.683 5.387 -10.235 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.604 7.946 -10.702 1.00 0.64 C ATOM 1076 CE2 TYR A 373 0.049 6.475 -9.797 1.00 0.64 C ATOM 1077 CZ TYR A 373 -0.414 7.751 -10.031 1.00 0.67 C ATOM 1078 OH TYR A 373 0.313 8.836 -9.594 1.00 0.79 O ATOM 0 H TYR A 373 -3.876 2.492 -12.605 1.00 0.52 H new ATOM 0 HA TYR A 373 -2.529 4.938 -13.447 1.00 0.51 H new ATOM 0 HB2 TYR A 373 -3.745 4.569 -11.232 1.00 0.50 H new ATOM 0 HB3 TYR A 373 -2.432 3.501 -10.780 1.00 0.50 H new ATOM 0 HD1 TYR A 373 -3.261 7.011 -11.661 1.00 0.56 H new ATOM 0 HD2 TYR A 373 -0.315 4.389 -10.047 1.00 0.56 H new ATOM 0 HE1 TYR A 373 -1.966 8.947 -10.886 1.00 0.64 H new ATOM 0 HE2 TYR A 373 0.981 6.325 -9.273 1.00 0.64 H new ATOM 0 HH TYR A 373 1.124 8.525 -9.140 1.00 0.79 H new ATOM 1088 N GLN A 374 -1.024 2.095 -13.213 1.00 0.53 N ATOM 1089 CA GLN A 374 0.231 1.402 -13.461 1.00 0.59 C ATOM 1090 C GLN A 374 -0.039 -0.008 -13.956 1.00 0.60 C ATOM 1091 O GLN A 374 -1.086 -0.583 -13.659 1.00 0.59 O ATOM 1092 CB GLN A 374 1.081 1.345 -12.188 1.00 0.63 C ATOM 1093 CG GLN A 374 0.466 0.508 -11.076 1.00 0.59 C ATOM 1094 CD GLN A 374 1.355 0.422 -9.852 1.00 0.69 C ATOM 1095 OE1 GLN A 374 1.358 -0.580 -9.140 1.00 1.09 O ATOM 1096 NE2 GLN A 374 2.109 1.477 -9.589 1.00 0.85 N ATOM 0 H GLN A 374 -1.840 1.485 -13.161 1.00 0.53 H new ATOM 0 HA GLN A 374 0.779 1.955 -14.224 1.00 0.59 H new ATOM 0 HB2 GLN A 374 2.062 0.939 -12.435 1.00 0.63 H new ATOM 0 HB3 GLN A 374 1.239 2.359 -11.822 1.00 0.63 H new ATOM 0 HG2 GLN A 374 -0.495 0.937 -10.793 1.00 0.59 H new ATOM 0 HG3 GLN A 374 0.269 -0.497 -11.449 1.00 0.59 H new ATOM 0 HE21 GLN A 374 2.080 2.291 -10.203 1.00 0.85 H new ATOM 0 HE22 GLN A 374 2.720 1.477 -8.772 1.00 0.85 H new ATOM 1105 N ASP A 375 0.894 -0.557 -14.720 1.00 0.74 N ATOM 1106 CA ASP A 375 0.798 -1.947 -15.134 1.00 0.78 C ATOM 1107 C ASP A 375 1.283 -2.834 -13.996 1.00 0.64 C ATOM 1108 O ASP A 375 2.185 -2.449 -13.240 1.00 0.73 O ATOM 1109 CB ASP A 375 1.615 -2.212 -16.404 1.00 1.06 C ATOM 1110 CG ASP A 375 3.104 -2.311 -16.141 1.00 1.71 C ATOM 1111 OD1 ASP A 375 3.777 -1.258 -16.121 1.00 2.21 O ATOM 1112 OD2 ASP A 375 3.607 -3.437 -15.949 1.00 2.30 O ATOM 0 H ASP A 375 1.719 -0.065 -15.063 1.00 0.74 H new ATOM 0 HA ASP A 375 -0.243 -2.175 -15.365 1.00 0.78 H new ATOM 0 HB2 ASP A 375 1.271 -3.138 -16.864 1.00 1.06 H new ATOM 0 HB3 ASP A 375 1.431 -1.412 -17.121 1.00 1.06 H new ATOM 1117 N GLY A 376 0.688 -4.007 -13.872 1.00 0.57 N ATOM 1118 CA GLY A 376 0.988 -4.868 -12.750 1.00 0.53 C ATOM 1119 C GLY A 376 0.385 -4.333 -11.468 1.00 0.52 C ATOM 1120 O GLY A 376 -0.352 -3.342 -11.490 1.00 0.70 O ATOM 0 H GLY A 376 0.002 -4.379 -14.528 1.00 0.57 H new ATOM 0 HA2 GLY A 376 0.604 -5.869 -12.945 1.00 0.53 H new ATOM 0 HA3 GLY A 376 2.068 -4.957 -12.636 1.00 0.53 H new ATOM 1124 N TYR A 377 0.667 -4.989 -10.358 1.00 0.46 N ATOM 1125 CA TYR A 377 0.176 -4.533 -9.068 1.00 0.46 C ATOM 1126 C TYR A 377 1.330 -4.308 -8.105 1.00 0.37 C ATOM 1127 O TYR A 377 2.498 -4.444 -8.476 1.00 0.38 O ATOM 1128 CB TYR A 377 -0.818 -5.539 -8.483 1.00 0.53 C ATOM 1129 CG TYR A 377 -2.027 -5.757 -9.361 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -2.934 -4.732 -9.589 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -2.257 -6.984 -9.968 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -4.035 -4.922 -10.398 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -3.357 -7.181 -10.777 1.00 0.76 C ATOM 1134 CZ TYR A 377 -4.242 -6.148 -10.989 1.00 0.91 C ATOM 1135 OH TYR A 377 -5.338 -6.342 -11.799 1.00 1.06 O ATOM 0 H TYR A 377 1.232 -5.837 -10.322 1.00 0.46 H new ATOM 0 HA TYR A 377 -0.340 -3.584 -9.216 1.00 0.46 H new ATOM 0 HB2 TYR A 377 -0.312 -6.492 -8.328 1.00 0.53 H new ATOM 0 HB3 TYR A 377 -1.146 -5.189 -7.504 1.00 0.53 H new ATOM 0 HD1 TYR A 377 -2.775 -3.770 -9.125 1.00 0.83 H new ATOM 0 HD2 TYR A 377 -1.565 -7.797 -9.805 1.00 0.64 H new ATOM 0 HE1 TYR A 377 -4.731 -4.113 -10.567 1.00 0.97 H new ATOM 0 HE2 TYR A 377 -3.523 -8.141 -11.242 1.00 0.76 H new ATOM 0 HH TYR A 377 -5.336 -7.262 -12.138 1.00 1.06 H new ATOM 1145 N TYR A 378 1.002 -3.971 -6.871 1.00 0.32 N ATOM 1146 CA TYR A 378 2.009 -3.763 -5.850 1.00 0.29 C ATOM 1147 C TYR A 378 1.766 -4.717 -4.691 1.00 0.24 C ATOM 1148 O TYR A 378 0.896 -4.486 -3.852 1.00 0.26 O ATOM 1149 CB TYR A 378 1.987 -2.307 -5.370 1.00 0.31 C ATOM 1150 CG TYR A 378 3.052 -1.990 -4.345 1.00 0.32 C ATOM 1151 CD1 TYR A 378 4.387 -2.263 -4.603 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.723 -1.412 -3.126 1.00 0.37 C ATOM 1153 CE1 TYR A 378 5.364 -1.974 -3.675 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.697 -1.120 -2.191 1.00 0.40 C ATOM 1155 CZ TYR A 378 5.016 -1.404 -2.471 1.00 0.41 C ATOM 1156 OH TYR A 378 5.992 -1.113 -1.548 1.00 0.47 O ATOM 0 H TYR A 378 0.043 -3.835 -6.552 1.00 0.32 H new ATOM 0 HA TYR A 378 2.994 -3.966 -6.270 1.00 0.29 H new ATOM 0 HB2 TYR A 378 2.114 -1.648 -6.229 1.00 0.31 H new ATOM 0 HB3 TYR A 378 1.008 -2.089 -4.943 1.00 0.31 H new ATOM 0 HD1 TYR A 378 4.665 -2.709 -5.546 1.00 0.36 H new ATOM 0 HD2 TYR A 378 1.690 -1.187 -2.906 1.00 0.37 H new ATOM 0 HE1 TYR A 378 6.399 -2.194 -3.891 1.00 0.41 H new ATOM 0 HE2 TYR A 378 3.426 -0.672 -1.246 1.00 0.40 H new ATOM 0 HH TYR A 378 6.870 -1.341 -1.918 1.00 0.47 H new ATOM 1166 N SER A 379 2.518 -5.806 -4.671 1.00 0.26 N ATOM 1167 CA SER A 379 2.353 -6.826 -3.655 1.00 0.27 C ATOM 1168 C SER A 379 3.589 -6.917 -2.766 1.00 0.24 C ATOM 1169 O SER A 379 4.693 -7.199 -3.236 1.00 0.29 O ATOM 1170 CB SER A 379 2.061 -8.175 -4.317 1.00 0.36 C ATOM 1171 OG SER A 379 2.917 -8.396 -5.429 1.00 1.06 O ATOM 0 H SER A 379 3.251 -6.004 -5.352 1.00 0.26 H new ATOM 0 HA SER A 379 1.509 -6.553 -3.021 1.00 0.27 H new ATOM 0 HB2 SER A 379 2.191 -8.976 -3.589 1.00 0.36 H new ATOM 0 HB3 SER A 379 1.021 -8.206 -4.643 1.00 0.36 H new ATOM 0 HG SER A 379 3.830 -8.126 -5.198 1.00 1.06 H new ATOM 1177 N VAL A 380 3.396 -6.668 -1.483 1.00 0.22 N ATOM 1178 CA VAL A 380 4.480 -6.744 -0.520 1.00 0.24 C ATOM 1179 C VAL A 380 4.204 -7.833 0.504 1.00 0.23 C ATOM 1180 O VAL A 380 3.057 -8.065 0.883 1.00 0.30 O ATOM 1181 CB VAL A 380 4.702 -5.401 0.211 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.227 -4.354 -0.755 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.419 -4.920 0.879 1.00 0.29 C ATOM 0 H VAL A 380 2.494 -6.410 -1.082 1.00 0.22 H new ATOM 0 HA VAL A 380 5.386 -6.981 -1.078 1.00 0.24 H new ATOM 0 HB VAL A 380 5.446 -5.559 0.992 1.00 0.27 H new ATOM 0 HG11 VAL A 380 5.378 -3.414 -0.225 1.00 0.33 H new ATOM 0 HG12 VAL A 380 6.175 -4.690 -1.176 1.00 0.33 H new ATOM 0 HG13 VAL A 380 4.505 -4.206 -1.558 1.00 0.33 H new ATOM 0 HG21 VAL A 380 3.605 -3.973 1.386 1.00 0.29 H new ATOM 0 HG22 VAL A 380 2.645 -4.781 0.124 1.00 0.29 H new ATOM 0 HG23 VAL A 380 3.087 -5.661 1.606 1.00 0.29 H new ATOM 1193 N GLN A 381 5.250 -8.510 0.933 1.00 0.22 N ATOM 1194 CA GLN A 381 5.122 -9.536 1.947 1.00 0.24 C ATOM 1195 C GLN A 381 5.311 -8.915 3.321 1.00 0.24 C ATOM 1196 O GLN A 381 6.299 -8.217 3.566 1.00 0.32 O ATOM 1197 CB GLN A 381 6.140 -10.650 1.711 1.00 0.34 C ATOM 1198 CG GLN A 381 6.068 -11.777 2.724 1.00 0.43 C ATOM 1199 CD GLN A 381 6.992 -12.924 2.378 1.00 0.72 C ATOM 1200 OE1 GLN A 381 7.257 -13.197 1.208 1.00 1.47 O ATOM 1201 NE2 GLN A 381 7.477 -13.614 3.393 1.00 0.94 N ATOM 0 H GLN A 381 6.201 -8.367 0.594 1.00 0.22 H new ATOM 0 HA GLN A 381 4.126 -9.975 1.891 1.00 0.24 H new ATOM 0 HB2 GLN A 381 5.988 -11.062 0.713 1.00 0.34 H new ATOM 0 HB3 GLN A 381 7.142 -10.222 1.730 1.00 0.34 H new ATOM 0 HG2 GLN A 381 6.325 -11.392 3.711 1.00 0.43 H new ATOM 0 HG3 GLN A 381 5.043 -12.144 2.782 1.00 0.43 H new ATOM 0 HE21 GLN A 381 7.233 -13.355 4.349 1.00 0.94 H new ATOM 0 HE22 GLN A 381 8.096 -14.406 3.222 1.00 0.94 H new ATOM 1210 N THR A 382 4.351 -9.151 4.200 1.00 0.21 N ATOM 1211 CA THR A 382 4.350 -8.548 5.518 1.00 0.26 C ATOM 1212 C THR A 382 3.206 -9.101 6.355 1.00 0.25 C ATOM 1213 O THR A 382 2.136 -9.420 5.834 1.00 0.30 O ATOM 1214 CB THR A 382 4.222 -7.009 5.431 1.00 0.30 C ATOM 1215 OG1 THR A 382 4.126 -6.444 6.745 1.00 0.42 O ATOM 1216 CG2 THR A 382 3.003 -6.603 4.610 1.00 0.28 C ATOM 0 H THR A 382 3.555 -9.763 4.019 1.00 0.21 H new ATOM 0 HA THR A 382 5.301 -8.794 5.992 1.00 0.26 H new ATOM 0 HB THR A 382 5.115 -6.628 4.936 1.00 0.30 H new ATOM 0 HG1 THR A 382 4.047 -5.470 6.677 1.00 0.42 H new ATOM 0 HG21 THR A 382 2.939 -5.516 4.567 1.00 0.28 H new ATOM 0 HG22 THR A 382 3.095 -7.002 3.600 1.00 0.28 H new ATOM 0 HG23 THR A 382 2.102 -7.001 5.076 1.00 0.28 H new ATOM 1224 N THR A 383 3.439 -9.220 7.651 1.00 0.31 N ATOM 1225 CA THR A 383 2.409 -9.648 8.577 1.00 0.37 C ATOM 1226 C THR A 383 1.522 -8.467 8.956 1.00 0.36 C ATOM 1227 O THR A 383 0.414 -8.636 9.466 1.00 0.46 O ATOM 1228 CB THR A 383 3.036 -10.247 9.849 1.00 0.50 C ATOM 1229 OG1 THR A 383 3.958 -9.310 10.424 1.00 0.55 O ATOM 1230 CG2 THR A 383 3.762 -11.545 9.538 1.00 0.55 C ATOM 0 H THR A 383 4.340 -9.024 8.087 1.00 0.31 H new ATOM 0 HA THR A 383 1.807 -10.413 8.087 1.00 0.37 H new ATOM 0 HB THR A 383 2.235 -10.458 10.557 1.00 0.50 H new ATOM 0 HG1 THR A 383 4.353 -9.695 11.234 1.00 0.55 H new ATOM 0 HG21 THR A 383 4.196 -11.948 10.453 1.00 0.55 H new ATOM 0 HG22 THR A 383 3.057 -12.266 9.123 1.00 0.55 H new ATOM 0 HG23 THR A 383 4.554 -11.354 8.814 1.00 0.55 H new ATOM 1238 N GLU A 384 2.012 -7.269 8.667 1.00 0.31 N ATOM 1239 CA GLU A 384 1.343 -6.041 9.065 1.00 0.35 C ATOM 1240 C GLU A 384 0.392 -5.558 7.974 1.00 0.28 C ATOM 1241 O GLU A 384 -0.143 -4.454 8.055 1.00 0.27 O ATOM 1242 CB GLU A 384 2.386 -4.964 9.375 1.00 0.46 C ATOM 1243 CG GLU A 384 3.386 -5.385 10.443 1.00 0.57 C ATOM 1244 CD GLU A 384 4.473 -4.355 10.673 1.00 0.90 C ATOM 1245 OE1 GLU A 384 5.509 -4.410 9.974 1.00 0.95 O ATOM 1246 OE2 GLU A 384 4.306 -3.494 11.560 1.00 1.39 O ATOM 0 H GLU A 384 2.880 -7.123 8.152 1.00 0.31 H new ATOM 0 HA GLU A 384 0.753 -6.241 9.960 1.00 0.35 H new ATOM 0 HB2 GLU A 384 2.924 -4.715 8.460 1.00 0.46 H new ATOM 0 HB3 GLU A 384 1.876 -4.057 9.701 1.00 0.46 H new ATOM 0 HG2 GLU A 384 2.857 -5.562 11.379 1.00 0.57 H new ATOM 0 HG3 GLU A 384 3.844 -6.330 10.152 1.00 0.57 H new ATOM 1253 N GLY A 385 0.170 -6.405 6.972 1.00 0.27 N ATOM 1254 CA GLY A 385 -0.686 -6.045 5.850 1.00 0.27 C ATOM 1255 C GLY A 385 -2.075 -5.603 6.280 1.00 0.26 C ATOM 1256 O GLY A 385 -2.595 -4.603 5.785 1.00 0.27 O ATOM 0 H GLY A 385 0.570 -7.341 6.916 1.00 0.27 H new ATOM 0 HA2 GLY A 385 -0.214 -5.242 5.284 1.00 0.27 H new ATOM 0 HA3 GLY A 385 -0.774 -6.899 5.179 1.00 0.27 H new ATOM 1260 N GLU A 386 -2.668 -6.341 7.212 1.00 0.30 N ATOM 1261 CA GLU A 386 -3.995 -6.014 7.724 1.00 0.35 C ATOM 1262 C GLU A 386 -3.976 -4.668 8.450 1.00 0.31 C ATOM 1263 O GLU A 386 -4.914 -3.874 8.341 1.00 0.36 O ATOM 1264 CB GLU A 386 -4.481 -7.129 8.657 1.00 0.44 C ATOM 1265 CG GLU A 386 -5.859 -6.889 9.257 1.00 0.53 C ATOM 1266 CD GLU A 386 -6.362 -8.082 10.040 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -6.069 -8.174 11.248 1.00 2.28 O ATOM 1268 OE2 GLU A 386 -7.054 -8.940 9.452 1.00 1.77 O ATOM 0 H GLU A 386 -2.250 -7.172 7.630 1.00 0.30 H new ATOM 0 HA GLU A 386 -4.687 -5.932 6.886 1.00 0.35 H new ATOM 0 HB2 GLU A 386 -4.497 -8.068 8.104 1.00 0.44 H new ATOM 0 HB3 GLU A 386 -3.761 -7.248 9.467 1.00 0.44 H new ATOM 0 HG2 GLU A 386 -5.821 -6.018 9.911 1.00 0.53 H new ATOM 0 HG3 GLU A 386 -6.565 -6.658 8.459 1.00 0.53 H new ATOM 1275 N GLN A 387 -2.886 -4.403 9.160 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.733 -3.155 9.896 1.00 0.30 C ATOM 1277 C GLN A 387 -2.605 -1.981 8.931 1.00 0.27 C ATOM 1278 O GLN A 387 -3.178 -0.913 9.157 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.517 -3.210 10.831 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.693 -4.133 12.034 1.00 0.45 C ATOM 1281 CD GLN A 387 -1.633 -5.609 11.679 1.00 1.13 C ATOM 1282 OE1 GLN A 387 -2.646 -6.228 11.353 1.00 2.27 O ATOM 1283 NE2 GLN A 387 -0.448 -6.188 11.760 1.00 0.83 N ATOM 0 H GLN A 387 -2.092 -5.039 9.241 1.00 0.29 H new ATOM 0 HA GLN A 387 -3.624 -3.013 10.507 1.00 0.30 H new ATOM 0 HB2 GLN A 387 -0.648 -3.538 10.260 1.00 0.35 H new ATOM 0 HB3 GLN A 387 -1.302 -2.203 11.188 1.00 0.35 H new ATOM 0 HG2 GLN A 387 -0.918 -3.912 12.768 1.00 0.45 H new ATOM 0 HG3 GLN A 387 -2.651 -3.920 12.508 1.00 0.45 H new ATOM 0 HE21 GLN A 387 0.369 -5.642 12.034 1.00 0.83 H new ATOM 0 HE22 GLN A 387 -0.350 -7.181 11.549 1.00 0.83 H new ATOM 1292 N ILE A 388 -1.860 -2.190 7.851 1.00 0.24 N ATOM 1293 CA ILE A 388 -1.695 -1.170 6.820 1.00 0.23 C ATOM 1294 C ILE A 388 -3.036 -0.855 6.167 1.00 0.22 C ATOM 1295 O ILE A 388 -3.393 0.310 5.984 1.00 0.22 O ATOM 1296 CB ILE A 388 -0.700 -1.618 5.727 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.646 -1.995 6.348 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.514 -0.516 4.690 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.632 -2.571 5.356 1.00 0.29 C ATOM 0 H ILE A 388 -1.359 -3.059 7.666 1.00 0.24 H new ATOM 0 HA ILE A 388 -1.299 -0.280 7.309 1.00 0.23 H new ATOM 0 HB ILE A 388 -1.110 -2.497 5.230 1.00 0.23 H new ATOM 0 HG12 ILE A 388 1.084 -1.110 6.810 1.00 0.27 H new ATOM 0 HG13 ILE A 388 0.479 -2.721 7.144 1.00 0.27 H new ATOM 0 HG21 ILE A 388 0.190 -0.849 3.928 1.00 0.24 H new ATOM 0 HG22 ILE A 388 -1.473 -0.289 4.224 1.00 0.24 H new ATOM 0 HG23 ILE A 388 -0.126 0.379 5.176 1.00 0.24 H new ATOM 0 HD11 ILE A 388 2.563 -2.815 5.868 1.00 0.29 H new ATOM 0 HD12 ILE A 388 1.215 -3.475 4.912 1.00 0.29 H new ATOM 0 HD13 ILE A 388 1.830 -1.839 4.573 1.00 0.29 H new ATOM 1311 N ALA A 389 -3.778 -1.908 5.837 1.00 0.22 N ATOM 1312 CA ALA A 389 -5.080 -1.771 5.195 1.00 0.24 C ATOM 1313 C ALA A 389 -6.018 -0.897 6.018 1.00 0.22 C ATOM 1314 O ALA A 389 -6.664 0.010 5.487 1.00 0.23 O ATOM 1315 CB ALA A 389 -5.702 -3.141 4.983 1.00 0.28 C ATOM 0 H ALA A 389 -3.496 -2.874 6.006 1.00 0.22 H new ATOM 0 HA ALA A 389 -4.928 -1.287 4.230 1.00 0.24 H new ATOM 0 HB1 ALA A 389 -6.674 -3.029 4.503 1.00 0.28 H new ATOM 0 HB2 ALA A 389 -5.051 -3.742 4.348 1.00 0.28 H new ATOM 0 HB3 ALA A 389 -5.828 -3.636 5.946 1.00 0.28 H new ATOM 1321 N GLN A 390 -6.078 -1.167 7.317 1.00 0.22 N ATOM 1322 CA GLN A 390 -6.947 -0.416 8.211 1.00 0.25 C ATOM 1323 C GLN A 390 -6.486 1.034 8.324 1.00 0.21 C ATOM 1324 O GLN A 390 -7.298 1.942 8.473 1.00 0.23 O ATOM 1325 CB GLN A 390 -6.979 -1.059 9.599 1.00 0.34 C ATOM 1326 CG GLN A 390 -7.993 -0.421 10.537 1.00 0.50 C ATOM 1327 CD GLN A 390 -7.940 -0.989 11.939 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -7.583 -2.150 12.144 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -8.296 -0.175 12.918 1.00 1.61 N ATOM 0 H GLN A 390 -5.535 -1.900 7.773 1.00 0.22 H new ATOM 0 HA GLN A 390 -7.953 -0.432 7.791 1.00 0.25 H new ATOM 0 HB2 GLN A 390 -7.208 -2.119 9.495 1.00 0.34 H new ATOM 0 HB3 GLN A 390 -5.987 -0.990 10.046 1.00 0.34 H new ATOM 0 HG2 GLN A 390 -7.815 0.654 10.579 1.00 0.50 H new ATOM 0 HG3 GLN A 390 -8.995 -0.562 10.131 1.00 0.50 H new ATOM 0 HE21 GLN A 390 -8.586 0.780 12.707 1.00 1.61 H new ATOM 0 HE22 GLN A 390 -8.281 -0.502 13.884 1.00 1.61 H new ATOM 1338 N LEU A 391 -5.178 1.244 8.242 1.00 0.21 N ATOM 1339 CA LEU A 391 -4.618 2.585 8.353 1.00 0.22 C ATOM 1340 C LEU A 391 -5.008 3.427 7.142 1.00 0.20 C ATOM 1341 O LEU A 391 -5.414 4.582 7.285 1.00 0.22 O ATOM 1342 CB LEU A 391 -3.096 2.523 8.487 1.00 0.26 C ATOM 1343 CG LEU A 391 -2.418 3.869 8.745 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -2.885 4.460 10.065 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -0.908 3.713 8.735 1.00 0.63 C ATOM 0 H LEU A 391 -4.488 0.507 8.100 1.00 0.21 H new ATOM 0 HA LEU A 391 -5.025 3.053 9.249 1.00 0.22 H new ATOM 0 HB2 LEU A 391 -2.845 1.844 9.302 1.00 0.26 H new ATOM 0 HB3 LEU A 391 -2.683 2.093 7.575 1.00 0.26 H new ATOM 0 HG LEU A 391 -2.699 4.554 7.945 1.00 0.27 H new ATOM 0 HD11 LEU A 391 -2.391 5.417 10.230 1.00 0.60 H new ATOM 0 HD12 LEU A 391 -3.964 4.609 10.035 1.00 0.60 H new ATOM 0 HD13 LEU A 391 -2.635 3.778 10.878 1.00 0.60 H new ATOM 0 HD21 LEU A 391 -0.441 4.680 8.920 1.00 0.63 H new ATOM 0 HD22 LEU A 391 -0.610 3.011 9.514 1.00 0.63 H new ATOM 0 HD23 LEU A 391 -0.588 3.335 7.764 1.00 0.63 H new ATOM 1357 N ILE A 392 -4.893 2.840 5.953 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.296 3.517 4.725 1.00 0.17 C ATOM 1359 C ILE A 392 -6.778 3.868 4.786 1.00 0.17 C ATOM 1360 O ILE A 392 -7.170 5.007 4.530 1.00 0.19 O ATOM 1361 CB ILE A 392 -5.028 2.649 3.473 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.537 2.309 3.373 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.500 3.366 2.209 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -3.193 1.395 2.215 1.00 0.21 C ATOM 0 H ILE A 392 -4.525 1.899 5.815 1.00 0.18 H new ATOM 0 HA ILE A 392 -4.699 4.425 4.642 1.00 0.17 H new ATOM 0 HB ILE A 392 -5.591 1.721 3.568 1.00 0.17 H new ATOM 0 HG12 ILE A 392 -2.969 3.234 3.274 1.00 0.19 H new ATOM 0 HG13 ILE A 392 -3.219 1.837 4.303 1.00 0.19 H new ATOM 0 HG21 ILE A 392 -5.302 2.739 1.340 1.00 0.19 H new ATOM 0 HG22 ILE A 392 -6.570 3.562 2.280 1.00 0.19 H new ATOM 0 HG23 ILE A 392 -4.965 4.310 2.105 1.00 0.19 H new ATOM 0 HD11 ILE A 392 -2.120 1.201 2.211 1.00 0.21 H new ATOM 0 HD12 ILE A 392 -3.732 0.454 2.322 1.00 0.21 H new ATOM 0 HD13 ILE A 392 -3.479 1.872 1.278 1.00 0.21 H new ATOM 1376 N ALA A 393 -7.590 2.884 5.162 1.00 0.18 N ATOM 1377 CA ALA A 393 -9.029 3.080 5.293 1.00 0.21 C ATOM 1378 C ALA A 393 -9.340 4.138 6.347 1.00 0.23 C ATOM 1379 O ALA A 393 -10.319 4.871 6.228 1.00 0.29 O ATOM 1380 CB ALA A 393 -9.711 1.766 5.642 1.00 0.24 C ATOM 0 H ALA A 393 -7.273 1.940 5.382 1.00 0.18 H new ATOM 0 HA ALA A 393 -9.415 3.431 4.336 1.00 0.21 H new ATOM 0 HB1 ALA A 393 -10.785 1.927 5.737 1.00 0.24 H new ATOM 0 HB2 ALA A 393 -9.522 1.037 4.854 1.00 0.24 H new ATOM 0 HB3 ALA A 393 -9.316 1.390 6.586 1.00 0.24 H new ATOM 1386 N GLY A 394 -8.491 4.219 7.366 1.00 0.23 N ATOM 1387 CA GLY A 394 -8.663 5.208 8.413 1.00 0.27 C ATOM 1388 C GLY A 394 -8.564 6.623 7.885 1.00 0.28 C ATOM 1389 O GLY A 394 -9.445 7.448 8.137 1.00 0.35 O ATOM 0 H GLY A 394 -7.680 3.612 7.485 1.00 0.23 H new ATOM 0 HA2 GLY A 394 -9.634 5.066 8.888 1.00 0.27 H new ATOM 0 HA3 GLY A 394 -7.906 5.055 9.182 1.00 0.27 H new ATOM 1393 N TYR A 395 -7.499 6.906 7.143 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.318 8.223 6.541 1.00 0.30 C ATOM 1395 C TYR A 395 -8.406 8.486 5.505 1.00 0.30 C ATOM 1396 O TYR A 395 -8.944 9.588 5.421 1.00 0.36 O ATOM 1397 CB TYR A 395 -5.939 8.338 5.887 1.00 0.31 C ATOM 1398 CG TYR A 395 -4.782 8.254 6.859 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -4.678 9.137 7.928 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -3.787 7.298 6.701 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -3.617 9.068 8.811 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -2.721 7.224 7.581 1.00 0.51 C ATOM 1403 CZ TYR A 395 -2.642 8.109 8.632 1.00 0.58 C ATOM 1404 OH TYR A 395 -1.583 8.037 9.510 1.00 0.70 O ATOM 0 H TYR A 395 -6.749 6.243 6.944 1.00 0.27 H new ATOM 0 HA TYR A 395 -7.390 8.969 7.332 1.00 0.30 H new ATOM 0 HB2 TYR A 395 -5.834 7.546 5.145 1.00 0.31 H new ATOM 0 HB3 TYR A 395 -5.881 9.286 5.352 1.00 0.31 H new ATOM 0 HD1 TYR A 395 -5.439 9.890 8.071 1.00 0.48 H new ATOM 0 HD2 TYR A 395 -3.846 6.601 5.878 1.00 0.41 H new ATOM 0 HE1 TYR A 395 -3.552 9.761 9.637 1.00 0.58 H new ATOM 0 HE2 TYR A 395 -1.955 6.475 7.443 1.00 0.51 H new ATOM 0 HH TYR A 395 -0.986 7.307 9.244 1.00 0.70 H new ATOM 1414 N ILE A 396 -8.728 7.455 4.735 1.00 0.27 N ATOM 1415 CA ILE A 396 -9.789 7.528 3.738 1.00 0.31 C ATOM 1416 C ILE A 396 -11.123 7.898 4.385 1.00 0.37 C ATOM 1417 O ILE A 396 -11.844 8.767 3.891 1.00 0.45 O ATOM 1418 CB ILE A 396 -9.904 6.184 2.980 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -8.766 6.069 1.962 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -11.262 6.028 2.309 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -8.739 4.752 1.217 1.00 0.42 C ATOM 0 H ILE A 396 -8.264 6.548 4.783 1.00 0.27 H new ATOM 0 HA ILE A 396 -9.535 8.311 3.023 1.00 0.31 H new ATOM 0 HB ILE A 396 -9.817 5.373 3.703 1.00 0.33 H new ATOM 0 HG12 ILE A 396 -8.854 6.881 1.241 1.00 0.34 H new ATOM 0 HG13 ILE A 396 -7.815 6.203 2.478 1.00 0.34 H new ATOM 0 HG21 ILE A 396 -11.302 5.072 1.788 1.00 0.38 H new ATOM 0 HG22 ILE A 396 -12.047 6.063 3.064 1.00 0.38 H new ATOM 0 HG23 ILE A 396 -11.410 6.838 1.594 1.00 0.38 H new ATOM 0 HD11 ILE A 396 -7.905 4.748 0.515 1.00 0.42 H new ATOM 0 HD12 ILE A 396 -8.619 3.934 1.928 1.00 0.42 H new ATOM 0 HD13 ILE A 396 -9.674 4.624 0.671 1.00 0.42 H new ATOM 1433 N ASP A 397 -11.426 7.257 5.507 1.00 0.38 N ATOM 1434 CA ASP A 397 -12.647 7.533 6.261 1.00 0.47 C ATOM 1435 C ASP A 397 -12.698 8.994 6.706 1.00 0.51 C ATOM 1436 O ASP A 397 -13.770 9.579 6.823 1.00 0.63 O ATOM 1437 CB ASP A 397 -12.730 6.604 7.475 1.00 0.52 C ATOM 1438 CG ASP A 397 -13.883 6.937 8.401 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -15.019 6.489 8.136 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -13.651 7.634 9.413 1.00 0.99 O ATOM 0 H ASP A 397 -10.837 6.534 5.920 1.00 0.38 H new ATOM 0 HA ASP A 397 -13.503 7.350 5.611 1.00 0.47 H new ATOM 0 HB2 ASP A 397 -12.834 5.575 7.131 1.00 0.52 H new ATOM 0 HB3 ASP A 397 -11.795 6.661 8.033 1.00 0.52 H new ATOM 1445 N ILE A 398 -11.533 9.580 6.942 1.00 0.47 N ATOM 1446 CA ILE A 398 -11.448 10.979 7.344 1.00 0.53 C ATOM 1447 C ILE A 398 -11.744 11.903 6.161 1.00 0.55 C ATOM 1448 O ILE A 398 -12.387 12.944 6.316 1.00 0.65 O ATOM 1449 CB ILE A 398 -10.054 11.311 7.927 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -9.780 10.453 9.165 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -9.951 12.793 8.271 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -8.398 10.645 9.753 1.00 0.81 C ATOM 0 H ILE A 398 -10.632 9.109 6.862 1.00 0.47 H new ATOM 0 HA ILE A 398 -12.197 11.142 8.119 1.00 0.53 H new ATOM 0 HB ILE A 398 -9.302 11.085 7.171 1.00 0.54 H new ATOM 0 HG12 ILE A 398 -10.524 10.685 9.927 1.00 0.57 H new ATOM 0 HG13 ILE A 398 -9.910 9.403 8.903 1.00 0.57 H new ATOM 0 HG21 ILE A 398 -8.963 13.004 8.679 1.00 0.62 H new ATOM 0 HG22 ILE A 398 -10.106 13.387 7.370 1.00 0.62 H new ATOM 0 HG23 ILE A 398 -10.711 13.049 9.010 1.00 0.62 H new ATOM 0 HD11 ILE A 398 -8.282 10.003 10.626 1.00 0.81 H new ATOM 0 HD12 ILE A 398 -7.646 10.384 9.008 1.00 0.81 H new ATOM 0 HD13 ILE A 398 -8.270 11.686 10.049 1.00 0.81 H new ATOM 1464 N ILE A 399 -11.283 11.512 4.979 1.00 0.50 N ATOM 1465 CA ILE A 399 -11.485 12.312 3.772 1.00 0.52 C ATOM 1466 C ILE A 399 -12.944 12.252 3.318 1.00 0.59 C ATOM 1467 O ILE A 399 -13.481 13.224 2.784 1.00 0.72 O ATOM 1468 CB ILE A 399 -10.571 11.833 2.619 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -9.106 11.825 3.068 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -10.746 12.724 1.393 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -8.153 11.277 2.028 1.00 0.48 C ATOM 0 H ILE A 399 -10.766 10.646 4.828 1.00 0.50 H new ATOM 0 HA ILE A 399 -11.226 13.341 4.021 1.00 0.52 H new ATOM 0 HB ILE A 399 -10.858 10.816 2.351 1.00 0.47 H new ATOM 0 HG12 ILE A 399 -8.807 12.842 3.321 1.00 0.47 H new ATOM 0 HG13 ILE A 399 -9.017 11.231 3.978 1.00 0.47 H new ATOM 0 HG21 ILE A 399 -10.096 12.373 0.592 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -11.784 12.686 1.061 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -10.484 13.751 1.649 1.00 0.50 H new ATOM 0 HD11 ILE A 399 -7.135 11.303 2.417 1.00 0.48 H new ATOM 0 HD12 ILE A 399 -8.425 10.248 1.792 1.00 0.48 H new ATOM 0 HD13 ILE A 399 -8.212 11.884 1.125 1.00 0.48 H new ATOM 1603 N TRP B 374 -10.621 -8.059 -0.012 1.00 1.08 N ATOM 1604 CA TRP B 374 -10.499 -6.953 -0.940 1.00 0.61 C ATOM 1605 C TRP B 374 -11.368 -5.800 -0.487 1.00 0.55 C ATOM 1606 O TRP B 374 -12.599 -5.874 -0.522 1.00 0.90 O ATOM 1607 CB TRP B 374 -10.879 -7.407 -2.351 1.00 0.88 C ATOM 1608 CG TRP B 374 -9.991 -8.502 -2.872 1.00 0.97 C ATOM 1609 CD1 TRP B 374 -10.084 -9.834 -2.582 1.00 1.38 C ATOM 1610 CD2 TRP B 374 -8.871 -8.363 -3.762 1.00 0.81 C ATOM 1611 NE1 TRP B 374 -9.099 -10.532 -3.234 1.00 1.42 N ATOM 1612 CE2 TRP B 374 -8.342 -9.655 -3.965 1.00 1.02 C ATOM 1613 CE3 TRP B 374 -8.262 -7.279 -4.409 1.00 0.85 C ATOM 1614 CZ2 TRP B 374 -7.241 -9.889 -4.785 1.00 0.98 C ATOM 1615 CZ3 TRP B 374 -7.169 -7.516 -5.221 1.00 0.97 C ATOM 1616 CH2 TRP B 374 -6.669 -8.811 -5.403 1.00 0.88 C ATOM 0 HA TRP B 374 -9.464 -6.613 -0.960 1.00 0.61 H new ATOM 0 HB2 TRP B 374 -11.912 -7.754 -2.350 1.00 0.88 H new ATOM 0 HB3 TRP B 374 -10.830 -6.554 -3.027 1.00 0.88 H new ATOM 0 HD1 TRP B 374 -10.826 -10.274 -1.933 1.00 1.38 H new ATOM 0 HE1 TRP B 374 -8.954 -11.540 -3.183 1.00 1.42 H new ATOM 0 HE3 TRP B 374 -8.640 -6.276 -4.275 1.00 0.85 H new ATOM 0 HZ2 TRP B 374 -6.852 -10.886 -4.928 1.00 0.98 H new ATOM 0 HZ3 TRP B 374 -6.692 -6.688 -5.724 1.00 0.97 H new ATOM 0 HH2 TRP B 374 -5.814 -8.962 -6.045 1.00 0.88 H new ATOM 1627 N VAL B 375 -10.722 -4.739 -0.053 1.00 0.40 N ATOM 1628 CA VAL B 375 -11.436 -3.592 0.486 1.00 0.38 C ATOM 1629 C VAL B 375 -11.585 -2.529 -0.591 1.00 0.44 C ATOM 1630 O VAL B 375 -10.603 -2.110 -1.206 1.00 0.53 O ATOM 1631 CB VAL B 375 -10.748 -2.989 1.736 1.00 0.48 C ATOM 1632 CG1 VAL B 375 -11.582 -1.842 2.300 1.00 0.84 C ATOM 1633 CG2 VAL B 375 -10.528 -4.054 2.810 1.00 1.07 C ATOM 0 H VAL B 375 -9.707 -4.643 -0.061 1.00 0.40 H new ATOM 0 HA VAL B 375 -12.417 -3.944 0.805 1.00 0.38 H new ATOM 0 HB VAL B 375 -9.775 -2.604 1.431 1.00 0.48 H new ATOM 0 HG11 VAL B 375 -11.086 -1.429 3.178 1.00 0.84 H new ATOM 0 HG12 VAL B 375 -11.689 -1.064 1.544 1.00 0.84 H new ATOM 0 HG13 VAL B 375 -12.568 -2.213 2.581 1.00 0.84 H new ATOM 0 HG21 VAL B 375 -10.044 -3.603 3.676 1.00 1.07 H new ATOM 0 HG22 VAL B 375 -11.489 -4.473 3.109 1.00 1.07 H new ATOM 0 HG23 VAL B 375 -9.895 -4.847 2.412 1.00 1.07 H new ATOM 1643 N GLU B 376 -12.823 -2.123 -0.827 1.00 0.51 N ATOM 1644 CA GLU B 376 -13.135 -1.161 -1.869 1.00 0.63 C ATOM 1645 C GLU B 376 -12.774 0.254 -1.427 1.00 0.52 C ATOM 1646 O GLU B 376 -12.911 0.604 -0.252 1.00 0.61 O ATOM 1647 CB GLU B 376 -14.625 -1.245 -2.212 1.00 0.86 C ATOM 1648 CG GLU B 376 -15.026 -0.414 -3.416 1.00 1.43 C ATOM 1649 CD GLU B 376 -14.262 -0.797 -4.665 1.00 1.69 C ATOM 1650 OE1 GLU B 376 -14.424 -1.938 -5.144 1.00 2.06 O ATOM 1651 OE2 GLU B 376 -13.495 0.042 -5.179 1.00 2.28 O ATOM 0 H GLU B 376 -13.635 -2.450 -0.304 1.00 0.51 H new ATOM 0 HA GLU B 376 -12.545 -1.398 -2.754 1.00 0.63 H new ATOM 0 HB2 GLU B 376 -14.887 -2.287 -2.398 1.00 0.86 H new ATOM 0 HB3 GLU B 376 -15.206 -0.920 -1.349 1.00 0.86 H new ATOM 0 HG2 GLU B 376 -16.094 -0.534 -3.596 1.00 1.43 H new ATOM 0 HG3 GLU B 376 -14.856 0.640 -3.199 1.00 1.43 H new ATOM 1658 N ASN B 377 -12.308 1.056 -2.373 1.00 0.54 N ATOM 1659 CA ASN B 377 -11.982 2.454 -2.103 1.00 0.58 C ATOM 1660 C ASN B 377 -12.995 3.359 -2.785 1.00 0.50 C ATOM 1661 O ASN B 377 -13.269 3.200 -3.973 1.00 0.65 O ATOM 1662 CB ASN B 377 -10.570 2.800 -2.585 1.00 0.83 C ATOM 1663 CG ASN B 377 -10.202 4.244 -2.307 1.00 0.88 C ATOM 1664 OD1 ASN B 377 -10.665 4.837 -1.336 1.00 1.83 O ATOM 1665 ND2 ASN B 377 -9.388 4.826 -3.173 1.00 1.23 N ATOM 0 H ASN B 377 -12.146 0.765 -3.337 1.00 0.54 H new ATOM 0 HA ASN B 377 -12.019 2.608 -1.025 1.00 0.58 H new ATOM 0 HB2 ASN B 377 -9.851 2.144 -2.095 1.00 0.83 H new ATOM 0 HB3 ASN B 377 -10.498 2.609 -3.656 1.00 0.83 H new ATOM 0 HD21 ASN B 377 -9.123 5.803 -3.047 1.00 1.23 H new ATOM 0 HD22 ASN B 377 -9.025 4.298 -3.967 1.00 1.23 H new ATOM 1672 N GLU B 378 -13.552 4.305 -2.040 1.00 0.43 N ATOM 1673 CA GLU B 378 -14.607 5.149 -2.566 1.00 0.51 C ATOM 1674 C GLU B 378 -14.129 6.570 -2.815 1.00 0.44 C ATOM 1675 O GLU B 378 -14.926 7.508 -2.865 1.00 0.53 O ATOM 1676 CB GLU B 378 -15.806 5.142 -1.618 1.00 0.71 C ATOM 1677 CG GLU B 378 -16.337 3.747 -1.323 1.00 0.87 C ATOM 1678 CD GLU B 378 -17.472 3.761 -0.329 1.00 1.05 C ATOM 1679 OE1 GLU B 378 -17.199 3.914 0.880 1.00 1.39 O ATOM 1680 OE2 GLU B 378 -18.639 3.638 -0.750 1.00 1.88 O ATOM 0 H GLU B 378 -13.290 4.504 -1.075 1.00 0.43 H new ATOM 0 HA GLU B 378 -14.910 4.739 -3.530 1.00 0.51 H new ATOM 0 HB2 GLU B 378 -15.521 5.620 -0.681 1.00 0.71 H new ATOM 0 HB3 GLU B 378 -16.606 5.743 -2.052 1.00 0.71 H new ATOM 0 HG2 GLU B 378 -16.676 3.287 -2.251 1.00 0.87 H new ATOM 0 HG3 GLU B 378 -15.528 3.127 -0.937 1.00 0.87 H new ATOM 1687 N ILE B 379 -12.828 6.723 -2.987 1.00 0.36 N ATOM 1688 CA ILE B 379 -12.282 7.997 -3.450 1.00 0.38 C ATOM 1689 C ILE B 379 -11.398 7.785 -4.669 1.00 0.48 C ATOM 1690 O ILE B 379 -10.505 8.583 -4.951 1.00 1.17 O ATOM 1691 CB ILE B 379 -11.477 8.765 -2.372 1.00 0.38 C ATOM 1692 CG1 ILE B 379 -10.366 7.891 -1.773 1.00 0.37 C ATOM 1693 CG2 ILE B 379 -12.394 9.290 -1.265 1.00 0.43 C ATOM 1694 CD1 ILE B 379 -9.566 8.566 -0.663 1.00 0.44 C ATOM 0 H ILE B 379 -12.134 5.995 -2.817 1.00 0.36 H new ATOM 0 HA ILE B 379 -13.147 8.610 -3.701 1.00 0.38 H new ATOM 0 HB ILE B 379 -11.010 9.618 -2.865 1.00 0.38 H new ATOM 0 HG12 ILE B 379 -10.811 6.977 -1.380 1.00 0.37 H new ATOM 0 HG13 ILE B 379 -9.683 7.596 -2.569 1.00 0.37 H new ATOM 0 HG21 ILE B 379 -11.800 9.824 -0.523 1.00 0.43 H new ATOM 0 HG22 ILE B 379 -13.132 9.967 -1.695 1.00 0.43 H new ATOM 0 HG23 ILE B 379 -12.904 8.453 -0.787 1.00 0.43 H new ATOM 0 HD11 ILE B 379 -8.803 7.880 -0.296 1.00 0.44 H new ATOM 0 HD12 ILE B 379 -9.089 9.465 -1.053 1.00 0.44 H new ATOM 0 HD13 ILE B 379 -10.234 8.836 0.155 1.00 0.44 H new ATOM 1706 N TYR B 380 -11.670 6.720 -5.407 1.00 0.45 N ATOM 1707 CA TYR B 380 -10.902 6.418 -6.604 1.00 0.42 C ATOM 1708 C TYR B 380 -11.427 7.233 -7.775 1.00 0.46 C ATOM 1709 O TYR B 380 -12.613 7.176 -8.102 1.00 0.58 O ATOM 1710 CB TYR B 380 -10.958 4.924 -6.931 1.00 0.48 C ATOM 1711 CG TYR B 380 -10.104 4.536 -8.119 1.00 0.45 C ATOM 1712 CD1 TYR B 380 -8.742 4.809 -8.140 1.00 0.49 C ATOM 1713 CD2 TYR B 380 -10.659 3.894 -9.220 1.00 0.54 C ATOM 1714 CE1 TYR B 380 -7.961 4.457 -9.222 1.00 0.51 C ATOM 1715 CE2 TYR B 380 -9.884 3.539 -10.306 1.00 0.54 C ATOM 1716 CZ TYR B 380 -8.533 3.822 -10.299 1.00 0.47 C ATOM 1717 OH TYR B 380 -7.760 3.471 -11.385 1.00 0.52 O ATOM 0 H TYR B 380 -12.413 6.053 -5.199 1.00 0.45 H new ATOM 0 HA TYR B 380 -9.861 6.684 -6.420 1.00 0.42 H new ATOM 0 HB2 TYR B 380 -10.633 4.356 -6.059 1.00 0.48 H new ATOM 0 HB3 TYR B 380 -11.992 4.641 -7.129 1.00 0.48 H new ATOM 0 HD1 TYR B 380 -8.287 5.305 -7.295 1.00 0.49 H new ATOM 0 HD2 TYR B 380 -11.715 3.669 -9.226 1.00 0.54 H new ATOM 0 HE1 TYR B 380 -6.904 4.680 -9.223 1.00 0.51 H new ATOM 0 HE2 TYR B 380 -10.332 3.043 -11.155 1.00 0.54 H new ATOM 0 HH TYR B 380 -6.965 2.988 -11.078 1.00 0.52 H new ATOM 1727 N TYR B 381 -10.543 8.007 -8.382 1.00 0.55 N ATOM 1728 CA TYR B 381 -10.888 8.848 -9.504 1.00 0.70 C ATOM 1729 C TYR B 381 -10.900 8.045 -10.800 1.00 0.79 C ATOM 1730 O TYR B 381 -11.989 7.575 -11.198 1.00 1.31 O ATOM 1731 CB TYR B 381 -9.883 9.993 -9.586 1.00 1.01 C ATOM 1732 CG TYR B 381 -10.186 11.161 -8.669 1.00 1.28 C ATOM 1733 CD1 TYR B 381 -10.639 10.941 -7.375 1.00 1.73 C ATOM 1734 CD2 TYR B 381 -10.022 12.479 -9.090 1.00 1.66 C ATOM 1735 CE1 TYR B 381 -10.921 11.995 -6.528 1.00 2.35 C ATOM 1736 CE2 TYR B 381 -10.301 13.537 -8.248 1.00 2.20 C ATOM 1737 CZ TYR B 381 -10.733 13.317 -7.000 1.00 2.50 C ATOM 1738 OH TYR B 381 -11.029 14.341 -6.129 1.00 3.20 O ATOM 1739 OXT TYR B 381 -9.824 7.887 -11.414 1.00 1.47 O ATOM 0 H TYR B 381 -9.563 8.066 -8.105 1.00 0.55 H new ATOM 0 HA TYR B 381 -11.890 9.252 -9.361 1.00 0.70 H new ATOM 0 HB2 TYR B 381 -8.892 9.608 -9.347 1.00 1.01 H new ATOM 0 HB3 TYR B 381 -9.846 10.354 -10.614 1.00 1.01 H new ATOM 0 HD1 TYR B 381 -10.773 9.928 -7.025 1.00 1.73 H new ATOM 0 HD2 TYR B 381 -9.671 12.676 -10.092 1.00 1.66 H new ATOM 0 HE1 TYR B 381 -11.278 11.814 -5.525 1.00 2.35 H new ATOM 0 HE2 TYR B 381 -10.170 14.550 -8.599 1.00 2.20 H new ATOM 0 HH TYR B 381 -10.859 15.202 -6.566 1.00 3.20 H new