USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=23 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 316 LYS NZ :NH3+ 172:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 381 GLN : amide:sc= 1.05 K(o=2.2,f=-5!) USER MOD Set 2.1: A 367 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 379 SER OG : rot 180:sc= -0.235 USER MOD Set 3.1: A 352 SER OG : rot -120:sc= 1.16 USER MOD Set 3.2: A 354 THR OG1 : rot 180:sc= 0.989 USER MOD Single : A 311 SER OG : rot 30:sc= 0.35 USER MOD Single : A 333 THR OG1 : rot -49:sc= 0.818 USER MOD Single : A 334 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.09) USER MOD Single : A 336 CYS SG : rot -147:sc= -0.796 USER MOD Single : A 338 MET CE :methyl 141:sc= -0.199 (180deg=-0.886) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 344 THR OG1 : rot 76:sc= 0.97 USER MOD Single : A 345 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.987) USER MOD Single : A 349 GLN : amide:sc= 0.839 K(o=0.84,f=-4.7!) USER MOD Single : A 355 ASN : amide:sc= -0.31 K(o=-0.31,f=-0.9) USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 362 SER OG : rot 180:sc= 0 USER MOD Single : A 364 LYS NZ :NH3+ 150:sc= -1.55! (180deg=-3.08!) USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 374 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.3) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 TYR OH : rot 29:sc= 1.25 USER MOD Single : A 382 THR OG1 : rot 101:sc= 1.58 USER MOD Single : A 383 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 387 GLN : amide:sc= -3.22! C(o=-3.2!,f=-2.8!) USER MOD Single : A 390 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : B 377 ASN : amide:sc= -1.48! C(o=-1.5!,f=-6.2!) USER MOD Single : B 380 TYR OH : rot -157:sc= 1.94 USER MOD Single : B 381 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N SER A 311 3.291 7.123 8.645 1.00 0.71 N ATOM 27 CA SER A 311 3.390 5.843 9.318 1.00 0.41 C ATOM 28 C SER A 311 4.107 4.841 8.424 1.00 0.34 C ATOM 29 O SER A 311 3.607 4.487 7.358 1.00 0.47 O ATOM 30 CB SER A 311 1.994 5.344 9.674 1.00 0.59 C ATOM 31 OG SER A 311 1.218 6.390 10.238 1.00 1.06 O ATOM 0 HA SER A 311 3.966 5.958 10.236 1.00 0.41 H new ATOM 0 HB2 SER A 311 1.501 4.959 8.781 1.00 0.59 H new ATOM 0 HB3 SER A 311 2.067 4.517 10.380 1.00 0.59 H new ATOM 0 HG SER A 311 1.514 7.250 9.873 1.00 1.06 H new ATOM 37 N PHE A 312 5.281 4.399 8.851 1.00 0.29 N ATOM 38 CA PHE A 312 6.100 3.520 8.031 1.00 0.27 C ATOM 39 C PHE A 312 5.935 2.062 8.440 1.00 0.26 C ATOM 40 O PHE A 312 6.169 1.692 9.594 1.00 0.34 O ATOM 41 CB PHE A 312 7.573 3.922 8.117 1.00 0.31 C ATOM 42 CG PHE A 312 7.864 5.280 7.542 1.00 0.34 C ATOM 43 CD1 PHE A 312 8.085 5.437 6.183 1.00 0.33 C ATOM 44 CD2 PHE A 312 7.913 6.398 8.358 1.00 0.45 C ATOM 45 CE1 PHE A 312 8.351 6.683 5.650 1.00 0.38 C ATOM 46 CE2 PHE A 312 8.179 7.648 7.831 1.00 0.52 C ATOM 47 CZ PHE A 312 8.397 7.789 6.474 1.00 0.47 C ATOM 0 H PHE A 312 5.686 4.634 9.757 1.00 0.29 H new ATOM 0 HA PHE A 312 5.761 3.624 7.000 1.00 0.27 H new ATOM 0 HB2 PHE A 312 7.885 3.905 9.161 1.00 0.31 H new ATOM 0 HB3 PHE A 312 8.174 3.179 7.593 1.00 0.31 H new ATOM 0 HD1 PHE A 312 8.049 4.575 5.533 1.00 0.33 H new ATOM 0 HD2 PHE A 312 7.741 6.292 9.419 1.00 0.45 H new ATOM 0 HE1 PHE A 312 8.523 6.792 4.589 1.00 0.38 H new ATOM 0 HE2 PHE A 312 8.216 8.512 8.478 1.00 0.52 H new ATOM 0 HZ PHE A 312 8.603 8.764 6.058 1.00 0.47 H new ATOM 57 N PHE A 313 5.534 1.241 7.486 1.00 0.24 N ATOM 58 CA PHE A 313 5.406 -0.190 7.708 1.00 0.26 C ATOM 59 C PHE A 313 6.527 -0.922 6.988 1.00 0.26 C ATOM 60 O PHE A 313 6.955 -0.501 5.910 1.00 0.26 O ATOM 61 CB PHE A 313 4.047 -0.691 7.212 1.00 0.28 C ATOM 62 CG PHE A 313 2.879 -0.070 7.924 1.00 0.30 C ATOM 63 CD1 PHE A 313 2.363 -0.652 9.069 1.00 0.34 C ATOM 64 CD2 PHE A 313 2.298 1.093 7.447 1.00 0.32 C ATOM 65 CE1 PHE A 313 1.288 -0.085 9.728 1.00 0.40 C ATOM 66 CE2 PHE A 313 1.224 1.665 8.101 1.00 0.37 C ATOM 67 CZ PHE A 313 0.719 1.075 9.242 1.00 0.41 C ATOM 0 H PHE A 313 5.289 1.543 6.543 1.00 0.24 H new ATOM 0 HA PHE A 313 5.476 -0.388 8.778 1.00 0.26 H new ATOM 0 HB2 PHE A 313 3.961 -0.486 6.145 1.00 0.28 H new ATOM 0 HB3 PHE A 313 4.002 -1.773 7.334 1.00 0.28 H new ATOM 0 HD1 PHE A 313 2.805 -1.560 9.452 1.00 0.34 H new ATOM 0 HD2 PHE A 313 2.689 1.558 6.554 1.00 0.32 H new ATOM 0 HE1 PHE A 313 0.894 -0.548 10.621 1.00 0.40 H new ATOM 0 HE2 PHE A 313 0.780 2.573 7.720 1.00 0.37 H new ATOM 0 HZ PHE A 313 -0.121 1.521 9.754 1.00 0.41 H new ATOM 77 N LEU A 314 7.003 -2.008 7.575 1.00 0.36 N ATOM 78 CA LEU A 314 8.094 -2.767 6.983 1.00 0.38 C ATOM 79 C LEU A 314 7.546 -3.780 5.988 1.00 0.37 C ATOM 80 O LEU A 314 6.937 -4.778 6.373 1.00 0.50 O ATOM 81 CB LEU A 314 8.909 -3.476 8.067 1.00 0.51 C ATOM 82 CG LEU A 314 10.103 -4.287 7.558 1.00 0.57 C ATOM 83 CD1 LEU A 314 11.115 -3.382 6.871 1.00 0.54 C ATOM 84 CD2 LEU A 314 10.755 -5.045 8.703 1.00 0.72 C ATOM 0 H LEU A 314 6.654 -2.383 8.457 1.00 0.36 H new ATOM 0 HA LEU A 314 8.752 -2.075 6.457 1.00 0.38 H new ATOM 0 HB2 LEU A 314 9.272 -2.729 8.773 1.00 0.51 H new ATOM 0 HB3 LEU A 314 8.247 -4.142 8.620 1.00 0.51 H new ATOM 0 HG LEU A 314 9.741 -5.009 6.826 1.00 0.57 H new ATOM 0 HD11 LEU A 314 11.955 -3.979 6.517 1.00 0.54 H new ATOM 0 HD12 LEU A 314 10.642 -2.884 6.025 1.00 0.54 H new ATOM 0 HD13 LEU A 314 11.474 -2.634 7.578 1.00 0.54 H new ATOM 0 HD21 LEU A 314 11.602 -5.617 8.325 1.00 0.72 H new ATOM 0 HD22 LEU A 314 11.102 -4.338 9.457 1.00 0.72 H new ATOM 0 HD23 LEU A 314 10.029 -5.724 9.150 1.00 0.72 H new ATOM 96 N VAL A 315 7.743 -3.507 4.710 1.00 0.26 N ATOM 97 CA VAL A 315 7.255 -4.391 3.668 1.00 0.26 C ATOM 98 C VAL A 315 8.406 -4.923 2.827 1.00 0.24 C ATOM 99 O VAL A 315 9.501 -4.359 2.829 1.00 0.27 O ATOM 100 CB VAL A 315 6.217 -3.691 2.761 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.007 -3.255 3.574 1.00 0.30 C ATOM 102 CG2 VAL A 315 6.830 -2.500 2.043 1.00 0.23 C ATOM 0 H VAL A 315 8.237 -2.682 4.370 1.00 0.26 H new ATOM 0 HA VAL A 315 6.760 -5.227 4.162 1.00 0.26 H new ATOM 0 HB VAL A 315 5.892 -4.408 2.007 1.00 0.26 H new ATOM 0 HG11 VAL A 315 4.287 -2.764 2.920 1.00 0.30 H new ATOM 0 HG12 VAL A 315 4.544 -4.128 4.034 1.00 0.30 H new ATOM 0 HG13 VAL A 315 5.323 -2.560 4.352 1.00 0.30 H new ATOM 0 HG21 VAL A 315 6.076 -2.028 1.413 1.00 0.23 H new ATOM 0 HG22 VAL A 315 7.192 -1.780 2.777 1.00 0.23 H new ATOM 0 HG23 VAL A 315 7.662 -2.837 1.424 1.00 0.23 H new ATOM 112 N LYS A 316 8.164 -6.023 2.136 1.00 0.25 N ATOM 113 CA LYS A 316 9.175 -6.636 1.288 1.00 0.28 C ATOM 114 C LYS A 316 8.683 -6.702 -0.153 1.00 0.28 C ATOM 115 O LYS A 316 7.760 -7.456 -0.468 1.00 0.28 O ATOM 116 CB LYS A 316 9.502 -8.040 1.799 1.00 0.34 C ATOM 117 CG LYS A 316 9.938 -8.068 3.254 1.00 0.44 C ATOM 118 CD LYS A 316 10.049 -9.488 3.784 1.00 0.55 C ATOM 119 CE LYS A 316 11.174 -10.257 3.115 1.00 0.67 C ATOM 120 NZ LYS A 316 11.276 -11.644 3.633 1.00 1.44 N ATOM 0 H LYS A 316 7.270 -6.514 2.145 1.00 0.25 H new ATOM 0 HA LYS A 316 10.079 -6.028 1.320 1.00 0.28 H new ATOM 0 HB2 LYS A 316 8.625 -8.676 1.678 1.00 0.34 H new ATOM 0 HB3 LYS A 316 10.293 -8.468 1.183 1.00 0.34 H new ATOM 0 HG2 LYS A 316 10.901 -7.567 3.354 1.00 0.44 H new ATOM 0 HG3 LYS A 316 9.223 -7.510 3.858 1.00 0.44 H new ATOM 0 HD2 LYS A 316 10.218 -9.461 4.861 1.00 0.55 H new ATOM 0 HD3 LYS A 316 9.106 -10.010 3.622 1.00 0.55 H new ATOM 0 HE2 LYS A 316 11.007 -10.282 2.038 1.00 0.67 H new ATOM 0 HE3 LYS A 316 12.118 -9.737 3.279 1.00 0.67 H new ATOM 0 HZ1 LYS A 316 11.961 -12.178 3.062 1.00 1.44 H new ATOM 0 HZ2 LYS A 316 11.593 -11.622 4.623 1.00 1.44 H new ATOM 0 HZ3 LYS A 316 10.345 -12.105 3.577 1.00 1.44 H new ATOM 134 N GLU A 317 9.294 -5.905 -1.017 1.00 0.32 N ATOM 135 CA GLU A 317 8.897 -5.842 -2.418 1.00 0.37 C ATOM 136 C GLU A 317 9.496 -6.993 -3.209 1.00 0.45 C ATOM 137 O GLU A 317 10.718 -7.146 -3.272 1.00 0.48 O ATOM 138 CB GLU A 317 9.343 -4.522 -3.049 1.00 0.39 C ATOM 139 CG GLU A 317 8.784 -3.285 -2.368 1.00 0.41 C ATOM 140 CD GLU A 317 9.231 -2.002 -3.041 1.00 0.49 C ATOM 141 OE1 GLU A 317 10.340 -1.974 -3.611 1.00 0.70 O ATOM 142 OE2 GLU A 317 8.488 -0.997 -2.977 1.00 0.61 O ATOM 0 H GLU A 317 10.070 -5.290 -0.772 1.00 0.32 H new ATOM 0 HA GLU A 317 7.810 -5.913 -2.450 1.00 0.37 H new ATOM 0 HB2 GLU A 317 10.432 -4.473 -3.030 1.00 0.39 H new ATOM 0 HB3 GLU A 317 9.042 -4.513 -4.097 1.00 0.39 H new ATOM 0 HG2 GLU A 317 7.695 -3.333 -2.371 1.00 0.41 H new ATOM 0 HG3 GLU A 317 9.100 -3.274 -1.325 1.00 0.41 H new ATOM 275 N LEU A 325 13.347 -10.523 -1.851 1.00 0.61 N ATOM 276 CA LEU A 325 12.451 -9.388 -1.685 1.00 0.49 C ATOM 277 C LEU A 325 13.195 -8.229 -1.029 1.00 0.45 C ATOM 278 O LEU A 325 14.027 -8.436 -0.142 1.00 0.55 O ATOM 279 CB LEU A 325 11.223 -9.770 -0.844 1.00 0.47 C ATOM 280 CG LEU A 325 10.229 -10.736 -1.506 1.00 0.53 C ATOM 281 CD1 LEU A 325 10.774 -12.154 -1.545 1.00 0.69 C ATOM 282 CD2 LEU A 325 8.893 -10.703 -0.780 1.00 0.56 C ATOM 0 HA LEU A 325 12.103 -9.081 -2.671 1.00 0.49 H new ATOM 0 HB2 LEU A 325 11.570 -10.218 0.087 1.00 0.47 H new ATOM 0 HB3 LEU A 325 10.690 -8.857 -0.579 1.00 0.47 H new ATOM 0 HG LEU A 325 10.081 -10.407 -2.534 1.00 0.53 H new ATOM 0 HD11 LEU A 325 10.045 -12.811 -2.020 1.00 0.69 H new ATOM 0 HD12 LEU A 325 11.703 -12.171 -2.115 1.00 0.69 H new ATOM 0 HD13 LEU A 325 10.965 -12.498 -0.529 1.00 0.69 H new ATOM 0 HD21 LEU A 325 8.200 -11.393 -1.262 1.00 0.56 H new ATOM 0 HD22 LEU A 325 9.036 -10.999 0.259 1.00 0.56 H new ATOM 0 HD23 LEU A 325 8.484 -9.693 -0.817 1.00 0.56 H new ATOM 294 N VAL A 326 12.896 -7.014 -1.465 1.00 0.40 N ATOM 295 CA VAL A 326 13.599 -5.826 -0.990 1.00 0.38 C ATOM 296 C VAL A 326 12.839 -5.162 0.158 1.00 0.32 C ATOM 297 O VAL A 326 11.636 -4.925 0.052 1.00 0.29 O ATOM 298 CB VAL A 326 13.788 -4.801 -2.132 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.646 -3.627 -1.680 1.00 0.45 C ATOM 300 CG2 VAL A 326 14.397 -5.469 -3.355 1.00 0.51 C ATOM 0 H VAL A 326 12.167 -6.822 -2.152 1.00 0.40 H new ATOM 0 HA VAL A 326 14.577 -6.150 -0.633 1.00 0.38 H new ATOM 0 HB VAL A 326 12.805 -4.414 -2.402 1.00 0.42 H new ATOM 0 HG11 VAL A 326 14.762 -2.923 -2.504 1.00 0.45 H new ATOM 0 HG12 VAL A 326 14.165 -3.127 -0.840 1.00 0.45 H new ATOM 0 HG13 VAL A 326 15.627 -3.990 -1.373 1.00 0.45 H new ATOM 0 HG21 VAL A 326 14.522 -4.732 -4.148 1.00 0.51 H new ATOM 0 HG22 VAL A 326 15.368 -5.890 -3.094 1.00 0.51 H new ATOM 0 HG23 VAL A 326 13.738 -6.265 -3.701 1.00 0.51 H new ATOM 310 N PRO A 327 13.531 -4.868 1.276 1.00 0.33 N ATOM 311 CA PRO A 327 12.937 -4.168 2.420 1.00 0.30 C ATOM 312 C PRO A 327 12.543 -2.737 2.065 1.00 0.25 C ATOM 313 O PRO A 327 13.378 -1.929 1.648 1.00 0.32 O ATOM 314 CB PRO A 327 14.048 -4.170 3.480 1.00 0.39 C ATOM 315 CG PRO A 327 15.036 -5.185 3.016 1.00 0.46 C ATOM 316 CD PRO A 327 14.941 -5.201 1.519 1.00 0.42 C ATOM 0 HA PRO A 327 12.021 -4.651 2.759 1.00 0.30 H new ATOM 0 HB2 PRO A 327 14.508 -3.186 3.569 1.00 0.39 H new ATOM 0 HB3 PRO A 327 13.653 -4.427 4.463 1.00 0.39 H new ATOM 0 HG2 PRO A 327 16.044 -4.925 3.340 1.00 0.46 H new ATOM 0 HG3 PRO A 327 14.811 -6.167 3.432 1.00 0.46 H new ATOM 0 HD2 PRO A 327 15.612 -4.473 1.064 1.00 0.42 H new ATOM 0 HD3 PRO A 327 15.202 -6.176 1.108 1.00 0.42 H new ATOM 324 N ARG A 328 11.270 -2.432 2.227 1.00 0.21 N ATOM 325 CA ARG A 328 10.750 -1.125 1.887 1.00 0.23 C ATOM 326 C ARG A 328 10.044 -0.502 3.081 1.00 0.20 C ATOM 327 O ARG A 328 9.359 -1.191 3.837 1.00 0.23 O ATOM 328 CB ARG A 328 9.769 -1.241 0.719 1.00 0.32 C ATOM 329 CG ARG A 328 9.362 0.097 0.128 1.00 0.50 C ATOM 330 CD ARG A 328 10.545 0.764 -0.543 1.00 0.56 C ATOM 331 NE ARG A 328 11.061 -0.042 -1.641 1.00 0.47 N ATOM 332 CZ ARG A 328 12.350 -0.218 -1.889 1.00 0.58 C ATOM 333 NH1 ARG A 328 13.254 0.346 -1.105 1.00 0.78 N ATOM 334 NH2 ARG A 328 12.729 -0.971 -2.909 1.00 0.65 N ATOM 0 H ARG A 328 10.573 -3.079 2.595 1.00 0.21 H new ATOM 0 HA ARG A 328 11.586 -0.487 1.600 1.00 0.23 H new ATOM 0 HB2 ARG A 328 10.220 -1.852 -0.063 1.00 0.32 H new ATOM 0 HB3 ARG A 328 8.875 -1.766 1.057 1.00 0.32 H new ATOM 0 HG2 ARG A 328 8.560 -0.048 -0.596 1.00 0.50 H new ATOM 0 HG3 ARG A 328 8.970 0.744 0.913 1.00 0.50 H new ATOM 0 HD2 ARG A 328 10.247 1.743 -0.918 1.00 0.56 H new ATOM 0 HD3 ARG A 328 11.334 0.930 0.190 1.00 0.56 H new ATOM 0 HE ARG A 328 10.388 -0.499 -2.257 1.00 0.47 H new ATOM 0 HH11 ARG A 328 12.958 0.915 -0.312 1.00 0.78 H new ATOM 0 HH12 ARG A 328 14.247 0.212 -1.294 1.00 0.78 H new ATOM 0 HH21 ARG A 328 12.029 -1.415 -3.503 1.00 0.65 H new ATOM 0 HH22 ARG A 328 13.721 -1.107 -3.101 1.00 0.65 H new ATOM 348 N LEU A 329 10.223 0.796 3.251 1.00 0.18 N ATOM 349 CA LEU A 329 9.472 1.541 4.240 1.00 0.20 C ATOM 350 C LEU A 329 8.242 2.144 3.588 1.00 0.19 C ATOM 351 O LEU A 329 8.324 3.165 2.900 1.00 0.24 O ATOM 352 CB LEU A 329 10.333 2.639 4.870 1.00 0.25 C ATOM 353 CG LEU A 329 11.374 2.148 5.876 1.00 0.31 C ATOM 354 CD1 LEU A 329 12.236 3.307 6.356 1.00 0.37 C ATOM 355 CD2 LEU A 329 10.683 1.471 7.052 1.00 0.36 C ATOM 0 H LEU A 329 10.885 1.356 2.714 1.00 0.18 H new ATOM 0 HA LEU A 329 9.166 0.861 5.035 1.00 0.20 H new ATOM 0 HB2 LEU A 329 10.846 3.179 4.074 1.00 0.25 H new ATOM 0 HB3 LEU A 329 9.677 3.353 5.368 1.00 0.25 H new ATOM 0 HG LEU A 329 12.022 1.421 5.386 1.00 0.31 H new ATOM 0 HD11 LEU A 329 12.972 2.941 7.072 1.00 0.37 H new ATOM 0 HD12 LEU A 329 12.749 3.756 5.505 1.00 0.37 H new ATOM 0 HD13 LEU A 329 11.605 4.056 6.835 1.00 0.37 H new ATOM 0 HD21 LEU A 329 11.432 1.124 7.764 1.00 0.36 H new ATOM 0 HD22 LEU A 329 10.019 2.182 7.542 1.00 0.36 H new ATOM 0 HD23 LEU A 329 10.103 0.621 6.693 1.00 0.36 H new ATOM 367 N LEU A 330 7.111 1.482 3.765 1.00 0.17 N ATOM 368 CA LEU A 330 5.867 1.942 3.180 1.00 0.17 C ATOM 369 C LEU A 330 5.241 2.995 4.079 1.00 0.18 C ATOM 370 O LEU A 330 4.693 2.677 5.136 1.00 0.24 O ATOM 371 CB LEU A 330 4.904 0.769 2.973 1.00 0.22 C ATOM 372 CG LEU A 330 3.661 1.089 2.141 1.00 0.26 C ATOM 373 CD1 LEU A 330 4.061 1.531 0.741 1.00 0.57 C ATOM 374 CD2 LEU A 330 2.741 -0.120 2.076 1.00 0.49 C ATOM 0 H LEU A 330 7.031 0.624 4.310 1.00 0.17 H new ATOM 0 HA LEU A 330 6.074 2.384 2.205 1.00 0.17 H new ATOM 0 HB2 LEU A 330 5.446 -0.045 2.491 1.00 0.22 H new ATOM 0 HB3 LEU A 330 4.585 0.405 3.949 1.00 0.22 H new ATOM 0 HG LEU A 330 3.122 1.906 2.621 1.00 0.26 H new ATOM 0 HD11 LEU A 330 3.166 1.755 0.161 1.00 0.57 H new ATOM 0 HD12 LEU A 330 4.685 2.423 0.805 1.00 0.57 H new ATOM 0 HD13 LEU A 330 4.619 0.732 0.253 1.00 0.57 H new ATOM 0 HD21 LEU A 330 1.861 0.124 1.481 1.00 0.49 H new ATOM 0 HD22 LEU A 330 3.270 -0.955 1.617 1.00 0.49 H new ATOM 0 HD23 LEU A 330 2.432 -0.396 3.084 1.00 0.49 H new ATOM 386 N GLY A 331 5.355 4.247 3.669 1.00 0.18 N ATOM 387 CA GLY A 331 4.854 5.340 4.469 1.00 0.22 C ATOM 388 C GLY A 331 3.450 5.739 4.081 1.00 0.22 C ATOM 389 O GLY A 331 3.234 6.327 3.018 1.00 0.29 O ATOM 0 H GLY A 331 5.789 4.526 2.789 1.00 0.18 H new ATOM 0 HA2 GLY A 331 4.870 5.055 5.521 1.00 0.22 H new ATOM 0 HA3 GLY A 331 5.516 6.199 4.361 1.00 0.22 H new ATOM 393 N ILE A 332 2.498 5.408 4.933 1.00 0.22 N ATOM 394 CA ILE A 332 1.113 5.784 4.716 1.00 0.22 C ATOM 395 C ILE A 332 0.825 7.092 5.435 1.00 0.24 C ATOM 396 O ILE A 332 1.056 7.204 6.642 1.00 0.36 O ATOM 397 CB ILE A 332 0.137 4.702 5.233 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.515 3.319 4.694 1.00 0.27 C ATOM 399 CG2 ILE A 332 -1.297 5.049 4.849 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.460 3.209 3.185 1.00 0.27 C ATOM 0 H ILE A 332 2.660 4.876 5.788 1.00 0.22 H new ATOM 0 HA ILE A 332 0.963 5.894 3.642 1.00 0.22 H new ATOM 0 HB ILE A 332 0.210 4.674 6.320 1.00 0.26 H new ATOM 0 HG12 ILE A 332 1.523 3.073 5.029 1.00 0.27 H new ATOM 0 HG13 ILE A 332 -0.155 2.576 5.127 1.00 0.27 H new ATOM 0 HG21 ILE A 332 -1.970 4.277 5.221 1.00 0.28 H new ATOM 0 HG22 ILE A 332 -1.569 6.009 5.287 1.00 0.28 H new ATOM 0 HG23 ILE A 332 -1.379 5.110 3.764 1.00 0.28 H new ATOM 0 HD11 ILE A 332 0.741 2.200 2.883 1.00 0.27 H new ATOM 0 HD12 ILE A 332 -0.552 3.422 2.841 1.00 0.27 H new ATOM 0 HD13 ILE A 332 1.152 3.926 2.742 1.00 0.27 H new ATOM 412 N THR A 333 0.351 8.084 4.701 1.00 0.22 N ATOM 413 CA THR A 333 0.014 9.365 5.294 1.00 0.23 C ATOM 414 C THR A 333 -1.480 9.631 5.161 1.00 0.23 C ATOM 415 O THR A 333 -2.234 8.753 4.743 1.00 0.28 O ATOM 416 CB THR A 333 0.808 10.518 4.647 1.00 0.26 C ATOM 417 OG1 THR A 333 0.457 10.663 3.265 1.00 0.34 O ATOM 418 CG2 THR A 333 2.304 10.274 4.766 1.00 0.38 C ATOM 0 H THR A 333 0.191 8.027 3.695 1.00 0.22 H new ATOM 0 HA THR A 333 0.283 9.319 6.349 1.00 0.23 H new ATOM 0 HB THR A 333 0.553 11.436 5.177 1.00 0.26 H new ATOM 0 HG1 THR A 333 0.487 9.787 2.826 1.00 0.34 H new ATOM 0 HG21 THR A 333 2.845 11.099 4.303 1.00 0.38 H new ATOM 0 HG22 THR A 333 2.579 10.205 5.819 1.00 0.38 H new ATOM 0 HG23 THR A 333 2.562 9.343 4.262 1.00 0.38 H new ATOM 426 N LYS A 334 -1.903 10.845 5.496 1.00 0.26 N ATOM 427 CA LYS A 334 -3.322 11.190 5.498 1.00 0.28 C ATOM 428 C LYS A 334 -3.868 11.402 4.085 1.00 0.26 C ATOM 429 O LYS A 334 -5.000 11.858 3.923 1.00 0.43 O ATOM 430 CB LYS A 334 -3.564 12.448 6.342 1.00 0.38 C ATOM 431 CG LYS A 334 -2.856 13.691 5.825 1.00 0.47 C ATOM 432 CD LYS A 334 -3.086 14.882 6.741 1.00 0.63 C ATOM 433 CE LYS A 334 -2.326 16.116 6.273 1.00 0.89 C ATOM 434 NZ LYS A 334 -2.793 16.596 4.946 1.00 1.61 N ATOM 0 H LYS A 334 -1.284 11.608 5.770 1.00 0.26 H new ATOM 0 HA LYS A 334 -3.856 10.346 5.936 1.00 0.28 H new ATOM 0 HB2 LYS A 334 -4.635 12.644 6.383 1.00 0.38 H new ATOM 0 HB3 LYS A 334 -3.236 12.255 7.364 1.00 0.38 H new ATOM 0 HG2 LYS A 334 -1.787 13.495 5.742 1.00 0.47 H new ATOM 0 HG3 LYS A 334 -3.215 13.926 4.823 1.00 0.47 H new ATOM 0 HD2 LYS A 334 -4.152 15.107 6.783 1.00 0.63 H new ATOM 0 HD3 LYS A 334 -2.774 14.626 7.754 1.00 0.63 H new ATOM 0 HE2 LYS A 334 -2.444 16.913 7.007 1.00 0.89 H new ATOM 0 HE3 LYS A 334 -1.262 15.886 6.220 1.00 0.89 H new ATOM 0 HZ1 LYS A 334 -2.385 17.533 4.753 1.00 1.61 H new ATOM 0 HZ2 LYS A 334 -2.490 15.928 4.209 1.00 1.61 H new ATOM 0 HZ3 LYS A 334 -3.831 16.663 4.947 1.00 1.61 H new ATOM 448 N GLU A 335 -3.080 11.060 3.067 1.00 0.27 N ATOM 449 CA GLU A 335 -3.505 11.276 1.688 1.00 0.33 C ATOM 450 C GLU A 335 -2.595 10.578 0.675 1.00 0.27 C ATOM 451 O GLU A 335 -2.990 10.382 -0.476 1.00 0.34 O ATOM 452 CB GLU A 335 -3.557 12.774 1.394 1.00 0.46 C ATOM 453 CG GLU A 335 -2.216 13.468 1.539 1.00 0.56 C ATOM 454 CD GLU A 335 -2.359 14.950 1.788 1.00 0.85 C ATOM 455 OE1 GLU A 335 -3.042 15.621 0.989 1.00 1.04 O ATOM 456 OE2 GLU A 335 -1.777 15.454 2.769 1.00 1.79 O ATOM 0 H GLU A 335 -2.157 10.638 3.169 1.00 0.27 H new ATOM 0 HA GLU A 335 -4.497 10.837 1.582 1.00 0.33 H new ATOM 0 HB2 GLU A 335 -3.927 12.924 0.380 1.00 0.46 H new ATOM 0 HB3 GLU A 335 -4.274 13.243 2.067 1.00 0.46 H new ATOM 0 HG2 GLU A 335 -1.663 13.016 2.362 1.00 0.56 H new ATOM 0 HG3 GLU A 335 -1.628 13.309 0.635 1.00 0.56 H new ATOM 463 N CYS A 336 -1.392 10.200 1.085 1.00 0.23 N ATOM 464 CA CYS A 336 -0.444 9.616 0.150 1.00 0.24 C ATOM 465 C CYS A 336 0.156 8.312 0.672 1.00 0.21 C ATOM 466 O CYS A 336 0.123 8.023 1.869 1.00 0.28 O ATOM 467 CB CYS A 336 0.673 10.615 -0.164 1.00 0.32 C ATOM 468 SG CYS A 336 0.117 12.114 -1.013 1.00 1.10 S ATOM 0 H CYS A 336 -1.054 10.286 2.044 1.00 0.23 H new ATOM 0 HA CYS A 336 -0.994 9.382 -0.762 1.00 0.24 H new ATOM 0 HB2 CYS A 336 1.162 10.900 0.768 1.00 0.32 H new ATOM 0 HB3 CYS A 336 1.424 10.120 -0.780 1.00 0.32 H new ATOM 0 HG CYS A 336 1.049 12.527 -1.820 1.00 1.10 H new ATOM 474 N VAL A 337 0.691 7.531 -0.258 1.00 0.22 N ATOM 475 CA VAL A 337 1.380 6.286 0.051 1.00 0.21 C ATOM 476 C VAL A 337 2.771 6.318 -0.577 1.00 0.19 C ATOM 477 O VAL A 337 2.914 6.159 -1.788 1.00 0.22 O ATOM 478 CB VAL A 337 0.605 5.061 -0.487 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.352 3.772 -0.187 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.800 5.011 0.091 1.00 0.32 C ATOM 0 H VAL A 337 0.658 7.746 -1.255 1.00 0.22 H new ATOM 0 HA VAL A 337 1.450 6.193 1.135 1.00 0.21 H new ATOM 0 HB VAL A 337 0.525 5.165 -1.569 1.00 0.26 H new ATOM 0 HG11 VAL A 337 0.787 2.925 -0.575 1.00 0.27 H new ATOM 0 HG12 VAL A 337 2.333 3.801 -0.661 1.00 0.27 H new ATOM 0 HG13 VAL A 337 1.473 3.664 0.891 1.00 0.27 H new ATOM 0 HG21 VAL A 337 -1.325 4.140 -0.303 1.00 0.32 H new ATOM 0 HG22 VAL A 337 -0.744 4.940 1.177 1.00 0.32 H new ATOM 0 HG23 VAL A 337 -1.340 5.916 -0.187 1.00 0.32 H new ATOM 490 N MET A 338 3.789 6.547 0.233 1.00 0.17 N ATOM 491 CA MET A 338 5.136 6.735 -0.293 1.00 0.17 C ATOM 492 C MET A 338 6.024 5.524 -0.022 1.00 0.16 C ATOM 493 O MET A 338 5.998 4.946 1.065 1.00 0.20 O ATOM 494 CB MET A 338 5.769 8.002 0.295 1.00 0.22 C ATOM 495 CG MET A 338 5.919 7.980 1.808 1.00 0.24 C ATOM 496 SD MET A 338 6.516 9.548 2.468 1.00 1.08 S ATOM 497 CE MET A 338 5.152 10.631 2.038 1.00 0.62 C ATOM 0 H MET A 338 3.714 6.608 1.248 1.00 0.17 H new ATOM 0 HA MET A 338 5.053 6.848 -1.374 1.00 0.17 H new ATOM 0 HB2 MET A 338 6.752 8.146 -0.154 1.00 0.22 H new ATOM 0 HB3 MET A 338 5.161 8.862 0.014 1.00 0.22 H new ATOM 0 HG2 MET A 338 4.957 7.742 2.261 1.00 0.24 H new ATOM 0 HG3 MET A 338 6.610 7.185 2.090 1.00 0.24 H new ATOM 0 HE1 MET A 338 4.976 11.335 2.851 1.00 0.62 H new ATOM 0 HE2 MET A 338 5.396 11.180 1.129 1.00 0.62 H new ATOM 0 HE3 MET A 338 4.253 10.036 1.873 1.00 0.62 H new ATOM 507 N ARG A 339 6.797 5.143 -1.028 1.00 0.16 N ATOM 508 CA ARG A 339 7.744 4.046 -0.905 1.00 0.17 C ATOM 509 C ARG A 339 9.136 4.584 -0.603 1.00 0.16 C ATOM 510 O ARG A 339 9.813 5.100 -1.493 1.00 0.18 O ATOM 511 CB ARG A 339 7.790 3.214 -2.191 1.00 0.22 C ATOM 512 CG ARG A 339 6.496 2.491 -2.512 1.00 0.27 C ATOM 513 CD ARG A 339 6.706 1.443 -3.593 1.00 0.31 C ATOM 514 NE ARG A 339 7.115 2.020 -4.875 1.00 0.73 N ATOM 515 CZ ARG A 339 8.177 1.606 -5.571 1.00 1.03 C ATOM 516 NH1 ARG A 339 8.957 0.645 -5.093 1.00 1.15 N ATOM 517 NH2 ARG A 339 8.446 2.140 -6.757 1.00 1.55 N ATOM 0 H ARG A 339 6.786 5.583 -1.948 1.00 0.16 H new ATOM 0 HA ARG A 339 7.413 3.408 -0.085 1.00 0.17 H new ATOM 0 HB2 ARG A 339 8.043 3.869 -3.025 1.00 0.22 H new ATOM 0 HB3 ARG A 339 8.592 2.480 -2.107 1.00 0.22 H new ATOM 0 HG2 ARG A 339 6.109 2.015 -1.611 1.00 0.27 H new ATOM 0 HG3 ARG A 339 5.746 3.211 -2.840 1.00 0.27 H new ATOM 0 HD2 ARG A 339 7.464 0.733 -3.261 1.00 0.31 H new ATOM 0 HD3 ARG A 339 5.782 0.881 -3.731 1.00 0.31 H new ATOM 0 HE ARG A 339 6.556 2.782 -5.259 1.00 0.73 H new ATOM 0 HH11 ARG A 339 8.747 0.219 -4.190 1.00 1.15 H new ATOM 0 HH12 ARG A 339 9.767 0.332 -5.628 1.00 1.15 H new ATOM 0 HH21 ARG A 339 7.841 2.868 -7.138 1.00 1.55 H new ATOM 0 HH22 ARG A 339 9.258 1.822 -7.287 1.00 1.55 H new ATOM 531 N VAL A 340 9.555 4.477 0.647 1.00 0.18 N ATOM 532 CA VAL A 340 10.877 4.933 1.048 1.00 0.22 C ATOM 533 C VAL A 340 11.836 3.751 1.135 1.00 0.24 C ATOM 534 O VAL A 340 11.514 2.724 1.732 1.00 0.24 O ATOM 535 CB VAL A 340 10.832 5.666 2.409 1.00 0.25 C ATOM 536 CG1 VAL A 340 12.212 6.173 2.802 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.833 6.814 2.362 1.00 0.28 C ATOM 0 H VAL A 340 8.999 4.078 1.403 1.00 0.18 H new ATOM 0 HA VAL A 340 11.230 5.635 0.293 1.00 0.22 H new ATOM 0 HB VAL A 340 10.507 4.954 3.167 1.00 0.25 H new ATOM 0 HG11 VAL A 340 12.152 6.684 3.763 1.00 0.31 H new ATOM 0 HG12 VAL A 340 12.900 5.331 2.882 1.00 0.31 H new ATOM 0 HG13 VAL A 340 12.574 6.867 2.044 1.00 0.31 H new ATOM 0 HG21 VAL A 340 9.814 7.319 3.328 1.00 0.28 H new ATOM 0 HG22 VAL A 340 10.129 7.522 1.588 1.00 0.28 H new ATOM 0 HG23 VAL A 340 8.841 6.424 2.137 1.00 0.28 H new ATOM 547 N ASP A 341 13.000 3.883 0.514 1.00 0.30 N ATOM 548 CA ASP A 341 14.001 2.825 0.551 1.00 0.36 C ATOM 549 C ASP A 341 14.540 2.669 1.965 1.00 0.38 C ATOM 550 O ASP A 341 14.978 3.639 2.580 1.00 0.41 O ATOM 551 CB ASP A 341 15.141 3.117 -0.428 1.00 0.46 C ATOM 552 CG ASP A 341 16.108 1.953 -0.551 1.00 0.55 C ATOM 553 OD1 ASP A 341 15.790 0.984 -1.261 1.00 0.67 O ATOM 554 OD2 ASP A 341 17.198 2.011 0.051 1.00 0.77 O ATOM 0 H ASP A 341 13.274 4.708 -0.019 1.00 0.30 H new ATOM 0 HA ASP A 341 13.528 1.891 0.248 1.00 0.36 H new ATOM 0 HB2 ASP A 341 14.725 3.346 -1.409 1.00 0.46 H new ATOM 0 HB3 ASP A 341 15.683 4.003 -0.097 1.00 0.46 H new ATOM 559 N GLU A 342 14.495 1.450 2.476 1.00 0.42 N ATOM 560 CA GLU A 342 14.866 1.176 3.859 1.00 0.47 C ATOM 561 C GLU A 342 16.361 1.412 4.072 1.00 0.60 C ATOM 562 O GLU A 342 16.782 1.891 5.122 1.00 0.72 O ATOM 563 CB GLU A 342 14.482 -0.270 4.202 1.00 0.49 C ATOM 564 CG GLU A 342 14.251 -0.543 5.684 1.00 0.60 C ATOM 565 CD GLU A 342 15.529 -0.658 6.486 1.00 0.95 C ATOM 566 OE1 GLU A 342 16.302 -1.610 6.255 1.00 1.51 O ATOM 567 OE2 GLU A 342 15.777 0.217 7.338 1.00 1.36 O ATOM 0 H GLU A 342 14.203 0.626 1.950 1.00 0.42 H new ATOM 0 HA GLU A 342 14.330 1.855 4.522 1.00 0.47 H new ATOM 0 HB2 GLU A 342 13.575 -0.528 3.655 1.00 0.49 H new ATOM 0 HB3 GLU A 342 15.270 -0.933 3.845 1.00 0.49 H new ATOM 0 HG2 GLU A 342 13.641 0.258 6.101 1.00 0.60 H new ATOM 0 HG3 GLU A 342 13.681 -1.466 5.790 1.00 0.60 H new ATOM 574 N LYS A 343 17.148 1.117 3.051 1.00 0.69 N ATOM 575 CA LYS A 343 18.599 1.174 3.154 1.00 0.87 C ATOM 576 C LYS A 343 19.131 2.585 2.890 1.00 0.79 C ATOM 577 O LYS A 343 19.877 3.145 3.696 1.00 0.86 O ATOM 578 CB LYS A 343 19.209 0.184 2.157 1.00 1.08 C ATOM 579 CG LYS A 343 20.728 0.149 2.151 1.00 1.36 C ATOM 580 CD LYS A 343 21.238 -0.814 1.092 1.00 1.63 C ATOM 581 CE LYS A 343 22.754 -0.853 1.044 1.00 2.26 C ATOM 582 NZ LYS A 343 23.246 -1.766 -0.021 1.00 3.06 N ATOM 0 H LYS A 343 16.804 0.833 2.134 1.00 0.69 H new ATOM 0 HA LYS A 343 18.884 0.905 4.171 1.00 0.87 H new ATOM 0 HB2 LYS A 343 18.836 -0.815 2.383 1.00 1.08 H new ATOM 0 HB3 LYS A 343 18.860 0.436 1.155 1.00 1.08 H new ATOM 0 HG2 LYS A 343 21.119 1.148 1.960 1.00 1.36 H new ATOM 0 HG3 LYS A 343 21.094 -0.154 3.132 1.00 1.36 H new ATOM 0 HD2 LYS A 343 20.856 -1.814 1.297 1.00 1.63 H new ATOM 0 HD3 LYS A 343 20.852 -0.518 0.117 1.00 1.63 H new ATOM 0 HE2 LYS A 343 23.139 0.152 0.869 1.00 2.26 H new ATOM 0 HE3 LYS A 343 23.141 -1.178 2.010 1.00 2.26 H new ATOM 0 HZ1 LYS A 343 24.286 -1.767 -0.024 1.00 3.06 H new ATOM 0 HZ2 LYS A 343 22.899 -2.730 0.160 1.00 3.06 H new ATOM 0 HZ3 LYS A 343 22.897 -1.441 -0.945 1.00 3.06 H new ATOM 596 N THR A 344 18.741 3.157 1.766 1.00 0.73 N ATOM 597 CA THR A 344 19.277 4.438 1.330 1.00 0.72 C ATOM 598 C THR A 344 18.433 5.606 1.844 1.00 0.63 C ATOM 599 O THR A 344 18.869 6.756 1.812 1.00 0.67 O ATOM 600 CB THR A 344 19.347 4.493 -0.205 1.00 0.80 C ATOM 601 OG1 THR A 344 19.595 3.176 -0.720 1.00 0.92 O ATOM 602 CG2 THR A 344 20.453 5.431 -0.663 1.00 0.92 C ATOM 0 H THR A 344 18.050 2.753 1.133 1.00 0.73 H new ATOM 0 HA THR A 344 20.280 4.531 1.746 1.00 0.72 H new ATOM 0 HB THR A 344 18.395 4.868 -0.582 1.00 0.80 H new ATOM 0 HG1 THR A 344 18.771 2.647 -0.676 1.00 0.92 H new ATOM 0 HG21 THR A 344 20.483 5.453 -1.752 1.00 0.92 H new ATOM 0 HG22 THR A 344 20.259 6.435 -0.285 1.00 0.92 H new ATOM 0 HG23 THR A 344 21.411 5.078 -0.281 1.00 0.92 H new ATOM 610 N LYS A 345 17.229 5.292 2.320 1.00 0.55 N ATOM 611 CA LYS A 345 16.303 6.294 2.855 1.00 0.52 C ATOM 612 C LYS A 345 15.838 7.266 1.769 1.00 0.53 C ATOM 613 O LYS A 345 15.512 8.417 2.052 1.00 0.61 O ATOM 614 CB LYS A 345 16.937 7.066 4.020 1.00 0.61 C ATOM 615 CG LYS A 345 17.265 6.204 5.232 1.00 0.63 C ATOM 616 CD LYS A 345 16.019 5.554 5.815 1.00 0.62 C ATOM 617 CE LYS A 345 16.323 4.822 7.116 1.00 0.71 C ATOM 618 NZ LYS A 345 17.352 3.763 6.937 1.00 1.50 N ATOM 0 H LYS A 345 16.867 4.339 2.347 1.00 0.55 H new ATOM 0 HA LYS A 345 15.430 5.758 3.227 1.00 0.52 H new ATOM 0 HB2 LYS A 345 17.852 7.544 3.670 1.00 0.61 H new ATOM 0 HB3 LYS A 345 16.258 7.862 4.327 1.00 0.61 H new ATOM 0 HG2 LYS A 345 17.979 5.431 4.946 1.00 0.63 H new ATOM 0 HG3 LYS A 345 17.746 6.816 5.994 1.00 0.63 H new ATOM 0 HD2 LYS A 345 15.261 6.316 5.995 1.00 0.62 H new ATOM 0 HD3 LYS A 345 15.602 4.853 5.092 1.00 0.62 H new ATOM 0 HE2 LYS A 345 16.667 5.538 7.862 1.00 0.71 H new ATOM 0 HE3 LYS A 345 15.407 4.375 7.502 1.00 0.71 H new ATOM 0 HZ1 LYS A 345 17.268 3.064 7.702 1.00 1.50 H new ATOM 0 HZ2 LYS A 345 17.210 3.292 6.021 1.00 1.50 H new ATOM 0 HZ3 LYS A 345 18.299 4.192 6.962 1.00 1.50 H new ATOM 632 N GLU A 346 15.791 6.792 0.531 1.00 0.53 N ATOM 633 CA GLU A 346 15.314 7.607 -0.581 1.00 0.58 C ATOM 634 C GLU A 346 13.843 7.327 -0.859 1.00 0.44 C ATOM 635 O GLU A 346 13.415 6.173 -0.853 1.00 0.42 O ATOM 636 CB GLU A 346 16.118 7.320 -1.851 1.00 0.77 C ATOM 637 CG GLU A 346 17.596 7.652 -1.749 1.00 0.95 C ATOM 638 CD GLU A 346 18.327 7.388 -3.049 1.00 1.61 C ATOM 639 OE1 GLU A 346 18.723 6.228 -3.294 1.00 2.46 O ATOM 640 OE2 GLU A 346 18.525 8.342 -3.829 1.00 1.81 O ATOM 0 H GLU A 346 16.077 5.848 0.271 1.00 0.53 H new ATOM 0 HA GLU A 346 15.442 8.652 -0.300 1.00 0.58 H new ATOM 0 HB2 GLU A 346 16.012 6.265 -2.102 1.00 0.77 H new ATOM 0 HB3 GLU A 346 15.687 7.889 -2.675 1.00 0.77 H new ATOM 0 HG2 GLU A 346 17.714 8.700 -1.473 1.00 0.95 H new ATOM 0 HG3 GLU A 346 18.047 7.060 -0.953 1.00 0.95 H new ATOM 647 N VAL A 347 13.072 8.377 -1.093 1.00 0.39 N ATOM 648 CA VAL A 347 11.684 8.217 -1.504 1.00 0.33 C ATOM 649 C VAL A 347 11.636 7.860 -2.984 1.00 0.31 C ATOM 650 O VAL A 347 11.918 8.693 -3.846 1.00 0.42 O ATOM 651 CB VAL A 347 10.851 9.492 -1.250 1.00 0.41 C ATOM 652 CG1 VAL A 347 9.394 9.270 -1.633 1.00 0.54 C ATOM 653 CG2 VAL A 347 10.962 9.924 0.206 1.00 0.58 C ATOM 0 H VAL A 347 13.381 9.345 -1.006 1.00 0.39 H new ATOM 0 HA VAL A 347 11.248 7.417 -0.905 1.00 0.33 H new ATOM 0 HB VAL A 347 11.250 10.290 -1.876 1.00 0.41 H new ATOM 0 HG11 VAL A 347 8.826 10.181 -1.446 1.00 0.54 H new ATOM 0 HG12 VAL A 347 9.331 9.014 -2.691 1.00 0.54 H new ATOM 0 HG13 VAL A 347 8.981 8.456 -1.037 1.00 0.54 H new ATOM 0 HG21 VAL A 347 10.368 10.824 0.365 1.00 0.58 H new ATOM 0 HG22 VAL A 347 10.593 9.127 0.851 1.00 0.58 H new ATOM 0 HG23 VAL A 347 12.005 10.131 0.446 1.00 0.58 H new ATOM 663 N ILE A 348 11.294 6.614 -3.269 1.00 0.25 N ATOM 664 CA ILE A 348 11.347 6.094 -4.627 1.00 0.26 C ATOM 665 C ILE A 348 10.116 6.501 -5.428 1.00 0.26 C ATOM 666 O ILE A 348 10.227 6.986 -6.554 1.00 0.35 O ATOM 667 CB ILE A 348 11.465 4.555 -4.620 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.687 4.125 -3.802 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.554 4.015 -6.043 1.00 0.32 C ATOM 670 CD1 ILE A 348 12.854 2.627 -3.698 1.00 0.31 C ATOM 0 H ILE A 348 10.975 5.940 -2.574 1.00 0.25 H new ATOM 0 HA ILE A 348 12.230 6.523 -5.101 1.00 0.26 H new ATOM 0 HB ILE A 348 10.570 4.139 -4.156 1.00 0.27 H new ATOM 0 HG12 ILE A 348 13.583 4.551 -4.254 1.00 0.29 H new ATOM 0 HG13 ILE A 348 12.606 4.543 -2.799 1.00 0.29 H new ATOM 0 HG21 ILE A 348 11.637 2.928 -6.015 1.00 0.32 H new ATOM 0 HG22 ILE A 348 10.658 4.297 -6.596 1.00 0.32 H new ATOM 0 HG23 ILE A 348 12.431 4.433 -6.537 1.00 0.32 H new ATOM 0 HD11 ILE A 348 13.740 2.400 -3.105 1.00 0.31 H new ATOM 0 HD12 ILE A 348 11.976 2.195 -3.218 1.00 0.31 H new ATOM 0 HD13 ILE A 348 12.967 2.203 -4.696 1.00 0.31 H new ATOM 682 N GLN A 349 8.944 6.314 -4.842 1.00 0.23 N ATOM 683 CA GLN A 349 7.697 6.580 -5.542 1.00 0.23 C ATOM 684 C GLN A 349 6.594 6.883 -4.539 1.00 0.22 C ATOM 685 O GLN A 349 6.608 6.361 -3.426 1.00 0.29 O ATOM 686 CB GLN A 349 7.320 5.368 -6.395 1.00 0.28 C ATOM 687 CG GLN A 349 6.184 5.621 -7.368 1.00 0.40 C ATOM 688 CD GLN A 349 5.853 4.396 -8.193 1.00 0.86 C ATOM 689 OE1 GLN A 349 6.712 3.550 -8.439 1.00 1.65 O ATOM 690 NE2 GLN A 349 4.615 4.301 -8.643 1.00 0.81 N ATOM 0 H GLN A 349 8.830 5.980 -3.885 1.00 0.23 H new ATOM 0 HA GLN A 349 7.824 7.446 -6.192 1.00 0.23 H new ATOM 0 HB2 GLN A 349 8.198 5.045 -6.955 1.00 0.28 H new ATOM 0 HB3 GLN A 349 7.042 4.546 -5.735 1.00 0.28 H new ATOM 0 HG2 GLN A 349 5.298 5.935 -6.816 1.00 0.40 H new ATOM 0 HG3 GLN A 349 6.453 6.442 -8.032 1.00 0.40 H new ATOM 0 HE21 GLN A 349 3.933 5.025 -8.416 1.00 0.81 H new ATOM 0 HE22 GLN A 349 4.341 3.504 -9.218 1.00 0.81 H new ATOM 699 N GLU A 350 5.646 7.718 -4.931 1.00 0.23 N ATOM 700 CA GLU A 350 4.558 8.095 -4.046 1.00 0.25 C ATOM 701 C GLU A 350 3.217 7.964 -4.759 1.00 0.26 C ATOM 702 O GLU A 350 3.087 8.329 -5.927 1.00 0.36 O ATOM 703 CB GLU A 350 4.756 9.529 -3.554 1.00 0.30 C ATOM 704 CG GLU A 350 3.729 9.973 -2.528 1.00 0.36 C ATOM 705 CD GLU A 350 3.879 11.430 -2.157 1.00 0.45 C ATOM 706 OE1 GLU A 350 4.690 11.741 -1.263 1.00 0.65 O ATOM 707 OE2 GLU A 350 3.186 12.275 -2.763 1.00 0.60 O ATOM 0 H GLU A 350 5.608 8.147 -5.856 1.00 0.23 H new ATOM 0 HA GLU A 350 4.559 7.422 -3.188 1.00 0.25 H new ATOM 0 HB2 GLU A 350 5.752 9.620 -3.120 1.00 0.30 H new ATOM 0 HB3 GLU A 350 4.718 10.205 -4.408 1.00 0.30 H new ATOM 0 HG2 GLU A 350 2.727 9.803 -2.923 1.00 0.36 H new ATOM 0 HG3 GLU A 350 3.827 9.361 -1.632 1.00 0.36 H new ATOM 714 N TRP A 351 2.238 7.415 -4.061 1.00 0.23 N ATOM 715 CA TRP A 351 0.885 7.310 -4.581 1.00 0.26 C ATOM 716 C TRP A 351 -0.055 8.200 -3.786 1.00 0.25 C ATOM 717 O TRP A 351 0.299 8.696 -2.718 1.00 0.52 O ATOM 718 CB TRP A 351 0.385 5.866 -4.512 1.00 0.30 C ATOM 719 CG TRP A 351 1.102 4.929 -5.430 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.057 4.927 -6.791 1.00 0.38 C ATOM 721 CD2 TRP A 351 1.951 3.843 -5.054 1.00 0.30 C ATOM 722 NE1 TRP A 351 1.832 3.911 -7.289 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.393 3.229 -6.242 1.00 0.34 C ATOM 724 CE3 TRP A 351 2.384 3.329 -3.829 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.244 2.131 -6.238 1.00 0.38 C ATOM 726 CZ3 TRP A 351 3.229 2.240 -3.828 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.653 1.651 -5.026 1.00 0.39 C ATOM 0 H TRP A 351 2.357 7.031 -3.123 1.00 0.23 H new ATOM 0 HA TRP A 351 0.901 7.631 -5.622 1.00 0.26 H new ATOM 0 HB2 TRP A 351 0.488 5.505 -3.489 1.00 0.30 H new ATOM 0 HB3 TRP A 351 -0.678 5.849 -4.750 1.00 0.30 H new ATOM 0 HD1 TRP A 351 0.492 5.625 -7.392 1.00 0.38 H new ATOM 0 HE1 TRP A 351 1.968 3.698 -8.277 1.00 0.41 H new ATOM 0 HE3 TRP A 351 2.063 3.777 -2.900 1.00 0.35 H new ATOM 0 HZ2 TRP A 351 3.571 1.673 -7.160 1.00 0.38 H new ATOM 0 HZ3 TRP A 351 3.570 1.834 -2.887 1.00 0.40 H new ATOM 0 HH2 TRP A 351 4.317 0.800 -4.991 1.00 0.39 H new ATOM 738 N SER A 352 -1.249 8.391 -4.309 1.00 0.31 N ATOM 739 CA SER A 352 -2.287 9.122 -3.610 1.00 0.30 C ATOM 740 C SER A 352 -3.431 8.170 -3.289 1.00 0.26 C ATOM 741 O SER A 352 -3.677 7.228 -4.045 1.00 0.28 O ATOM 742 CB SER A 352 -2.782 10.290 -4.475 1.00 0.35 C ATOM 743 OG SER A 352 -3.815 11.019 -3.835 1.00 1.27 O ATOM 0 H SER A 352 -1.527 8.045 -5.227 1.00 0.31 H new ATOM 0 HA SER A 352 -1.889 9.532 -2.682 1.00 0.30 H new ATOM 0 HB2 SER A 352 -1.949 10.958 -4.695 1.00 0.35 H new ATOM 0 HB3 SER A 352 -3.145 9.907 -5.429 1.00 0.35 H new ATOM 0 HG SER A 352 -4.625 10.990 -4.386 1.00 1.27 H new ATOM 749 N LEU A 353 -4.118 8.400 -2.176 1.00 0.25 N ATOM 750 CA LEU A 353 -5.249 7.561 -1.789 1.00 0.24 C ATOM 751 C LEU A 353 -6.352 7.657 -2.835 1.00 0.23 C ATOM 752 O LEU A 353 -7.121 6.720 -3.038 1.00 0.23 O ATOM 753 CB LEU A 353 -5.790 7.976 -0.418 1.00 0.25 C ATOM 754 CG LEU A 353 -4.777 7.934 0.731 1.00 0.26 C ATOM 755 CD1 LEU A 353 -5.442 8.343 2.036 1.00 0.31 C ATOM 756 CD2 LEU A 353 -4.160 6.550 0.858 1.00 0.26 C ATOM 0 H LEU A 353 -3.913 9.159 -1.526 1.00 0.25 H new ATOM 0 HA LEU A 353 -4.905 6.529 -1.725 1.00 0.24 H new ATOM 0 HB2 LEU A 353 -6.185 8.989 -0.494 1.00 0.25 H new ATOM 0 HB3 LEU A 353 -6.627 7.326 -0.165 1.00 0.25 H new ATOM 0 HG LEU A 353 -3.978 8.642 0.510 1.00 0.26 H new ATOM 0 HD11 LEU A 353 -4.711 8.309 2.843 1.00 0.31 H new ATOM 0 HD12 LEU A 353 -5.833 9.356 1.943 1.00 0.31 H new ATOM 0 HD13 LEU A 353 -6.260 7.658 2.258 1.00 0.31 H new ATOM 0 HD21 LEU A 353 -3.444 6.545 1.680 1.00 0.26 H new ATOM 0 HD22 LEU A 353 -4.944 5.819 1.055 1.00 0.26 H new ATOM 0 HD23 LEU A 353 -3.649 6.293 -0.070 1.00 0.26 H new ATOM 768 N THR A 354 -6.399 8.795 -3.519 1.00 0.26 N ATOM 769 CA THR A 354 -7.371 9.026 -4.576 1.00 0.28 C ATOM 770 C THR A 354 -7.085 8.153 -5.803 1.00 0.28 C ATOM 771 O THR A 354 -7.907 8.048 -6.716 1.00 0.35 O ATOM 772 CB THR A 354 -7.358 10.504 -5.012 1.00 0.36 C ATOM 773 OG1 THR A 354 -6.046 10.859 -5.484 1.00 0.44 O ATOM 774 CG2 THR A 354 -7.735 11.429 -3.863 1.00 0.42 C ATOM 0 H THR A 354 -5.767 9.579 -3.356 1.00 0.26 H new ATOM 0 HA THR A 354 -8.349 8.765 -4.172 1.00 0.28 H new ATOM 0 HB THR A 354 -8.094 10.622 -5.808 1.00 0.36 H new ATOM 0 HG1 THR A 354 -6.042 11.799 -5.762 1.00 0.44 H new ATOM 0 HG21 THR A 354 -7.715 12.463 -4.207 1.00 0.42 H new ATOM 0 HG22 THR A 354 -8.737 11.183 -3.511 1.00 0.42 H new ATOM 0 HG23 THR A 354 -7.023 11.304 -3.047 1.00 0.42 H new ATOM 782 N ASN A 355 -5.909 7.534 -5.828 1.00 0.26 N ATOM 783 CA ASN A 355 -5.495 6.721 -6.965 1.00 0.30 C ATOM 784 C ASN A 355 -5.624 5.239 -6.649 1.00 0.28 C ATOM 785 O ASN A 355 -5.250 4.389 -7.454 1.00 0.33 O ATOM 786 CB ASN A 355 -4.047 7.040 -7.363 1.00 0.37 C ATOM 787 CG ASN A 355 -3.890 8.427 -7.958 1.00 0.49 C ATOM 788 OD1 ASN A 355 -4.805 8.954 -8.589 1.00 0.83 O ATOM 789 ND2 ASN A 355 -2.724 9.024 -7.776 1.00 0.66 N ATOM 0 H ASN A 355 -5.225 7.580 -5.072 1.00 0.26 H new ATOM 0 HA ASN A 355 -6.153 6.961 -7.800 1.00 0.30 H new ATOM 0 HB2 ASN A 355 -3.407 6.952 -6.485 1.00 0.37 H new ATOM 0 HB3 ASN A 355 -3.702 6.299 -8.085 1.00 0.37 H new ATOM 0 HD21 ASN A 355 -2.560 9.953 -8.165 1.00 0.66 H new ATOM 0 HD22 ASN A 355 -1.988 8.556 -7.247 1.00 0.66 H new ATOM 796 N ILE A 356 -6.161 4.932 -5.478 1.00 0.26 N ATOM 797 CA ILE A 356 -6.308 3.552 -5.050 1.00 0.28 C ATOM 798 C ILE A 356 -7.611 2.961 -5.572 1.00 0.28 C ATOM 799 O ILE A 356 -8.675 3.563 -5.442 1.00 0.38 O ATOM 800 CB ILE A 356 -6.273 3.435 -3.513 1.00 0.31 C ATOM 801 CG1 ILE A 356 -4.936 3.948 -2.970 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.509 1.995 -3.077 1.00 0.36 C ATOM 803 CD1 ILE A 356 -4.834 3.877 -1.464 1.00 0.38 C ATOM 0 H ILE A 356 -6.502 5.621 -4.808 1.00 0.26 H new ATOM 0 HA ILE A 356 -5.468 2.994 -5.463 1.00 0.28 H new ATOM 0 HB ILE A 356 -7.074 4.051 -3.103 1.00 0.31 H new ATOM 0 HG12 ILE A 356 -4.126 3.366 -3.410 1.00 0.33 H new ATOM 0 HG13 ILE A 356 -4.795 4.981 -3.288 1.00 0.33 H new ATOM 0 HG21 ILE A 356 -6.480 1.935 -1.989 1.00 0.36 H new ATOM 0 HG22 ILE A 356 -7.484 1.662 -3.433 1.00 0.36 H new ATOM 0 HG23 ILE A 356 -5.732 1.356 -3.496 1.00 0.36 H new ATOM 0 HD11 ILE A 356 -3.862 4.256 -1.147 1.00 0.38 H new ATOM 0 HD12 ILE A 356 -5.623 4.482 -1.017 1.00 0.38 H new ATOM 0 HD13 ILE A 356 -4.943 2.842 -1.140 1.00 0.38 H new ATOM 815 N LYS A 357 -7.517 1.789 -6.178 1.00 0.26 N ATOM 816 CA LYS A 357 -8.690 1.086 -6.669 1.00 0.30 C ATOM 817 C LYS A 357 -9.187 0.111 -5.606 1.00 0.31 C ATOM 818 O LYS A 357 -10.361 0.126 -5.231 1.00 0.45 O ATOM 819 CB LYS A 357 -8.340 0.353 -7.967 1.00 0.35 C ATOM 820 CG LYS A 357 -9.461 -0.497 -8.545 1.00 0.46 C ATOM 821 CD LYS A 357 -9.007 -1.173 -9.829 1.00 0.60 C ATOM 822 CE LYS A 357 -9.973 -2.251 -10.289 1.00 0.79 C ATOM 823 NZ LYS A 357 -9.433 -3.006 -11.454 1.00 1.75 N ATOM 0 H LYS A 357 -6.636 1.303 -6.342 1.00 0.26 H new ATOM 0 HA LYS A 357 -9.488 1.798 -6.879 1.00 0.30 H new ATOM 0 HB2 LYS A 357 -8.040 1.089 -8.713 1.00 0.35 H new ATOM 0 HB3 LYS A 357 -7.476 -0.286 -7.785 1.00 0.35 H new ATOM 0 HG2 LYS A 357 -9.766 -1.250 -7.819 1.00 0.46 H new ATOM 0 HG3 LYS A 357 -10.333 0.126 -8.744 1.00 0.46 H new ATOM 0 HD2 LYS A 357 -8.903 -0.424 -10.614 1.00 0.60 H new ATOM 0 HD3 LYS A 357 -8.022 -1.613 -9.676 1.00 0.60 H new ATOM 0 HE2 LYS A 357 -10.170 -2.940 -9.467 1.00 0.79 H new ATOM 0 HE3 LYS A 357 -10.926 -1.796 -10.559 1.00 0.79 H new ATOM 0 HZ1 LYS A 357 -10.117 -3.734 -11.743 1.00 1.75 H new ATOM 0 HZ2 LYS A 357 -9.269 -2.352 -12.246 1.00 1.75 H new ATOM 0 HZ3 LYS A 357 -8.536 -3.460 -11.188 1.00 1.75 H new ATOM 837 N ARG A 358 -8.276 -0.722 -5.114 1.00 0.26 N ATOM 838 CA ARG A 358 -8.590 -1.707 -4.084 1.00 0.29 C ATOM 839 C ARG A 358 -7.309 -2.306 -3.522 1.00 0.28 C ATOM 840 O ARG A 358 -6.265 -2.263 -4.171 1.00 0.35 O ATOM 841 CB ARG A 358 -9.491 -2.811 -4.651 1.00 0.34 C ATOM 842 CG ARG A 358 -9.013 -3.383 -5.977 1.00 0.37 C ATOM 843 CD ARG A 358 -10.086 -4.249 -6.613 1.00 0.54 C ATOM 844 NE ARG A 358 -11.362 -3.536 -6.710 1.00 0.83 N ATOM 845 CZ ARG A 358 -12.551 -4.101 -6.519 1.00 1.19 C ATOM 846 NH1 ARG A 358 -12.648 -5.411 -6.330 1.00 1.46 N ATOM 847 NH2 ARG A 358 -13.646 -3.352 -6.541 1.00 1.75 N ATOM 0 H ARG A 358 -7.302 -0.734 -5.417 1.00 0.26 H new ATOM 0 HA ARG A 358 -9.126 -1.206 -3.278 1.00 0.29 H new ATOM 0 HB2 ARG A 358 -9.560 -3.619 -3.923 1.00 0.34 H new ATOM 0 HB3 ARG A 358 -10.497 -2.413 -4.781 1.00 0.34 H new ATOM 0 HG2 ARG A 358 -8.748 -2.570 -6.653 1.00 0.37 H new ATOM 0 HG3 ARG A 358 -8.110 -3.973 -5.819 1.00 0.37 H new ATOM 0 HD2 ARG A 358 -9.764 -4.558 -7.607 1.00 0.54 H new ATOM 0 HD3 ARG A 358 -10.219 -5.157 -6.025 1.00 0.54 H new ATOM 0 HE ARG A 358 -11.337 -2.542 -6.939 1.00 0.83 H new ATOM 0 HH11 ARG A 358 -11.808 -5.990 -6.331 1.00 1.46 H new ATOM 0 HH12 ARG A 358 -13.562 -5.839 -6.184 1.00 1.46 H new ATOM 0 HH21 ARG A 358 -13.574 -2.348 -6.704 1.00 1.75 H new ATOM 0 HH22 ARG A 358 -14.560 -3.781 -6.395 1.00 1.75 H new ATOM 861 N TRP A 359 -7.379 -2.847 -2.314 1.00 0.25 N ATOM 862 CA TRP A 359 -6.213 -3.473 -1.708 1.00 0.27 C ATOM 863 C TRP A 359 -6.571 -4.807 -1.063 1.00 0.28 C ATOM 864 O TRP A 359 -7.667 -4.983 -0.529 1.00 0.36 O ATOM 865 CB TRP A 359 -5.564 -2.540 -0.676 1.00 0.28 C ATOM 866 CG TRP A 359 -6.479 -2.118 0.438 1.00 0.27 C ATOM 867 CD1 TRP A 359 -6.709 -2.783 1.609 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.275 -0.930 0.491 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.605 -2.082 2.379 1.00 0.35 N ATOM 870 CE2 TRP A 359 -7.965 -0.942 1.716 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.473 0.142 -0.381 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -8.835 0.077 2.091 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.338 1.151 -0.009 1.00 0.40 C ATOM 874 CH2 TRP A 359 -9.010 1.112 1.217 1.00 0.39 C ATOM 0 H TRP A 359 -8.222 -2.865 -1.739 1.00 0.25 H new ATOM 0 HA TRP A 359 -5.494 -3.664 -2.504 1.00 0.27 H new ATOM 0 HB2 TRP A 359 -4.695 -3.040 -0.247 1.00 0.28 H new ATOM 0 HB3 TRP A 359 -5.199 -1.649 -1.188 1.00 0.28 H new ATOM 0 HD1 TRP A 359 -6.253 -3.722 1.888 1.00 0.36 H new ATOM 0 HE1 TRP A 359 -7.947 -2.366 3.297 1.00 0.35 H new ATOM 0 HE3 TRP A 359 -6.958 0.181 -1.330 1.00 0.32 H new ATOM 0 HZ2 TRP A 359 -9.353 0.051 3.038 1.00 0.33 H new ATOM 0 HZ3 TRP A 359 -8.499 1.985 -0.676 1.00 0.40 H new ATOM 0 HH2 TRP A 359 -9.681 1.917 1.478 1.00 0.39 H new ATOM 885 N ALA A 360 -5.642 -5.746 -1.133 1.00 0.25 N ATOM 886 CA ALA A 360 -5.805 -7.047 -0.505 1.00 0.27 C ATOM 887 C ALA A 360 -4.942 -7.132 0.742 1.00 0.25 C ATOM 888 O ALA A 360 -3.716 -7.044 0.667 1.00 0.31 O ATOM 889 CB ALA A 360 -5.456 -8.159 -1.480 1.00 0.31 C ATOM 0 H ALA A 360 -4.756 -5.629 -1.625 1.00 0.25 H new ATOM 0 HA ALA A 360 -6.849 -7.170 -0.215 1.00 0.27 H new ATOM 0 HB1 ALA A 360 -5.584 -9.125 -0.991 1.00 0.31 H new ATOM 0 HB2 ALA A 360 -6.113 -8.101 -2.348 1.00 0.31 H new ATOM 0 HB3 ALA A 360 -4.420 -8.050 -1.801 1.00 0.31 H new ATOM 895 N ALA A 361 -5.588 -7.284 1.885 1.00 0.26 N ATOM 896 CA ALA A 361 -4.890 -7.311 3.157 1.00 0.27 C ATOM 897 C ALA A 361 -4.765 -8.732 3.687 1.00 0.25 C ATOM 898 O ALA A 361 -5.766 -9.397 3.955 1.00 0.38 O ATOM 899 CB ALA A 361 -5.612 -6.432 4.164 1.00 0.35 C ATOM 0 H ALA A 361 -6.600 -7.391 1.957 1.00 0.26 H new ATOM 0 HA ALA A 361 -3.883 -6.923 3.002 1.00 0.27 H new ATOM 0 HB1 ALA A 361 -5.082 -6.458 5.116 1.00 0.35 H new ATOM 0 HB2 ALA A 361 -5.645 -5.407 3.795 1.00 0.35 H new ATOM 0 HB3 ALA A 361 -6.628 -6.800 4.305 1.00 0.35 H new ATOM 905 N SER A 362 -3.534 -9.195 3.811 1.00 0.32 N ATOM 906 CA SER A 362 -3.251 -10.487 4.412 1.00 0.40 C ATOM 907 C SER A 362 -2.134 -10.333 5.441 1.00 0.42 C ATOM 908 O SER A 362 -1.281 -9.456 5.309 1.00 0.44 O ATOM 909 CB SER A 362 -2.842 -11.498 3.333 1.00 0.47 C ATOM 910 OG SER A 362 -3.837 -11.613 2.329 1.00 1.00 O ATOM 0 H SER A 362 -2.705 -8.689 3.499 1.00 0.32 H new ATOM 0 HA SER A 362 -4.149 -10.857 4.907 1.00 0.40 H new ATOM 0 HB2 SER A 362 -1.900 -11.188 2.880 1.00 0.47 H new ATOM 0 HB3 SER A 362 -2.671 -12.472 3.791 1.00 0.47 H new ATOM 0 HG SER A 362 -3.548 -12.263 1.655 1.00 1.00 H new ATOM 916 N PRO A 363 -2.127 -11.173 6.486 1.00 0.46 N ATOM 917 CA PRO A 363 -1.103 -11.124 7.540 1.00 0.48 C ATOM 918 C PRO A 363 0.269 -11.615 7.069 1.00 0.45 C ATOM 919 O PRO A 363 1.200 -11.742 7.866 1.00 0.66 O ATOM 920 CB PRO A 363 -1.663 -12.052 8.618 1.00 0.58 C ATOM 921 CG PRO A 363 -2.547 -12.998 7.885 1.00 0.60 C ATOM 922 CD PRO A 363 -3.135 -12.220 6.744 1.00 0.53 C ATOM 0 HA PRO A 363 -0.926 -10.103 7.879 1.00 0.48 H new ATOM 0 HB2 PRO A 363 -0.864 -12.580 9.139 1.00 0.58 H new ATOM 0 HB3 PRO A 363 -2.219 -11.493 9.371 1.00 0.58 H new ATOM 0 HG2 PRO A 363 -1.982 -13.856 7.521 1.00 0.60 H new ATOM 0 HG3 PRO A 363 -3.330 -13.385 8.537 1.00 0.60 H new ATOM 0 HD2 PRO A 363 -3.293 -12.849 5.868 1.00 0.53 H new ATOM 0 HD3 PRO A 363 -4.102 -11.791 7.007 1.00 0.53 H new ATOM 930 N LYS A 364 0.387 -11.908 5.780 1.00 0.44 N ATOM 931 CA LYS A 364 1.662 -12.317 5.209 1.00 0.44 C ATOM 932 C LYS A 364 2.046 -11.419 4.035 1.00 0.37 C ATOM 933 O LYS A 364 3.226 -11.252 3.733 1.00 0.40 O ATOM 934 CB LYS A 364 1.618 -13.782 4.761 1.00 0.56 C ATOM 935 CG LYS A 364 2.949 -14.290 4.223 1.00 0.72 C ATOM 936 CD LYS A 364 2.915 -15.778 3.899 1.00 0.98 C ATOM 937 CE LYS A 364 3.132 -16.645 5.133 1.00 1.26 C ATOM 938 NZ LYS A 364 2.018 -16.541 6.113 1.00 2.08 N ATOM 0 H LYS A 364 -0.383 -11.870 5.112 1.00 0.44 H new ATOM 0 HA LYS A 364 2.420 -12.216 5.985 1.00 0.44 H new ATOM 0 HB2 LYS A 364 1.314 -14.403 5.604 1.00 0.56 H new ATOM 0 HB3 LYS A 364 0.856 -13.896 3.990 1.00 0.56 H new ATOM 0 HG2 LYS A 364 3.212 -13.731 3.325 1.00 0.72 H new ATOM 0 HG3 LYS A 364 3.731 -14.099 4.957 1.00 0.72 H new ATOM 0 HD2 LYS A 364 1.955 -16.027 3.447 1.00 0.98 H new ATOM 0 HD3 LYS A 364 3.683 -16.004 3.160 1.00 0.98 H new ATOM 0 HE2 LYS A 364 3.244 -17.685 4.826 1.00 1.26 H new ATOM 0 HE3 LYS A 364 4.064 -16.354 5.617 1.00 1.26 H new ATOM 0 HZ1 LYS A 364 1.927 -17.438 6.631 1.00 2.08 H new ATOM 0 HZ2 LYS A 364 2.217 -15.772 6.784 1.00 2.08 H new ATOM 0 HZ3 LYS A 364 1.130 -16.340 5.610 1.00 2.08 H new ATOM 952 N SER A 365 1.054 -10.823 3.389 1.00 0.35 N ATOM 953 CA SER A 365 1.309 -9.979 2.234 1.00 0.34 C ATOM 954 C SER A 365 0.201 -8.951 2.040 1.00 0.32 C ATOM 955 O SER A 365 -0.956 -9.188 2.387 1.00 0.52 O ATOM 956 CB SER A 365 1.465 -10.839 0.978 1.00 0.40 C ATOM 957 OG SER A 365 0.424 -11.799 0.884 1.00 1.32 O ATOM 0 H SER A 365 0.070 -10.908 3.645 1.00 0.35 H new ATOM 0 HA SER A 365 2.237 -9.436 2.412 1.00 0.34 H new ATOM 0 HB2 SER A 365 1.457 -10.202 0.094 1.00 0.40 H new ATOM 0 HB3 SER A 365 2.430 -11.345 0.998 1.00 0.40 H new ATOM 0 HG SER A 365 0.545 -12.335 0.072 1.00 1.32 H new ATOM 963 N PHE A 366 0.573 -7.808 1.496 1.00 0.19 N ATOM 964 CA PHE A 366 -0.371 -6.748 1.207 1.00 0.16 C ATOM 965 C PHE A 366 -0.300 -6.408 -0.278 1.00 0.16 C ATOM 966 O PHE A 366 0.787 -6.212 -0.820 1.00 0.28 O ATOM 967 CB PHE A 366 -0.049 -5.521 2.064 1.00 0.19 C ATOM 968 CG PHE A 366 -1.066 -4.422 1.964 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.319 -4.570 2.534 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.765 -3.239 1.313 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.253 -3.557 2.456 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.696 -2.224 1.229 1.00 0.29 C ATOM 973 CZ PHE A 366 -2.942 -2.382 1.802 1.00 0.30 C ATOM 0 H PHE A 366 1.537 -7.589 1.243 1.00 0.19 H new ATOM 0 HA PHE A 366 -1.383 -7.074 1.446 1.00 0.16 H new ATOM 0 HB2 PHE A 366 0.035 -5.830 3.106 1.00 0.19 H new ATOM 0 HB3 PHE A 366 0.924 -5.129 1.768 1.00 0.19 H new ATOM 0 HD1 PHE A 366 -2.568 -5.488 3.045 1.00 0.23 H new ATOM 0 HD2 PHE A 366 0.209 -3.108 0.866 1.00 0.25 H new ATOM 0 HE1 PHE A 366 -4.226 -3.684 2.906 1.00 0.28 H new ATOM 0 HE2 PHE A 366 -1.450 -1.306 0.715 1.00 0.29 H new ATOM 0 HZ PHE A 366 -3.672 -1.588 1.739 1.00 0.30 H new ATOM 983 N THR A 367 -1.447 -6.369 -0.938 1.00 0.17 N ATOM 984 CA THR A 367 -1.484 -6.117 -2.371 1.00 0.19 C ATOM 985 C THR A 367 -2.273 -4.851 -2.694 1.00 0.19 C ATOM 986 O THR A 367 -3.476 -4.785 -2.453 1.00 0.27 O ATOM 987 CB THR A 367 -2.109 -7.307 -3.126 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.419 -8.518 -2.783 1.00 0.34 O ATOM 989 CG2 THR A 367 -2.047 -7.091 -4.632 1.00 0.32 C ATOM 0 H THR A 367 -2.361 -6.508 -0.507 1.00 0.17 H new ATOM 0 HA THR A 367 -0.452 -5.984 -2.697 1.00 0.19 H new ATOM 0 HB THR A 367 -3.156 -7.386 -2.832 1.00 0.26 H new ATOM 0 HG1 THR A 367 -1.821 -9.271 -3.264 1.00 0.34 H new ATOM 0 HG21 THR A 367 -2.494 -7.945 -5.141 1.00 0.32 H new ATOM 0 HG22 THR A 367 -2.595 -6.185 -4.893 1.00 0.32 H new ATOM 0 HG23 THR A 367 -1.007 -6.988 -4.942 1.00 0.32 H new ATOM 997 N LEU A 368 -1.588 -3.853 -3.230 1.00 0.20 N ATOM 998 CA LEU A 368 -2.238 -2.625 -3.671 1.00 0.22 C ATOM 999 C LEU A 368 -2.559 -2.690 -5.160 1.00 0.23 C ATOM 1000 O LEU A 368 -1.695 -3.020 -5.975 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.347 -1.412 -3.388 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.327 -0.934 -1.937 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.256 0.128 -1.739 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -2.690 -0.386 -1.547 1.00 0.25 C ATOM 0 H LEU A 368 -0.578 -3.868 -3.371 1.00 0.20 H new ATOM 0 HA LEU A 368 -3.169 -2.519 -3.114 1.00 0.22 H new ATOM 0 HB2 LEU A 368 -0.327 -1.655 -3.686 1.00 0.24 H new ATOM 0 HB3 LEU A 368 -1.676 -0.587 -4.020 1.00 0.24 H new ATOM 0 HG LEU A 368 -1.093 -1.784 -1.296 1.00 0.25 H new ATOM 0 HD11 LEU A 368 -0.257 0.456 -0.700 1.00 0.29 H new ATOM 0 HD12 LEU A 368 0.720 -0.289 -1.987 1.00 0.29 H new ATOM 0 HD13 LEU A 368 -0.463 0.979 -2.388 1.00 0.29 H new ATOM 0 HD21 LEU A 368 -2.664 -0.048 -0.511 1.00 0.25 H new ATOM 0 HD22 LEU A 368 -2.944 0.452 -2.195 1.00 0.25 H new ATOM 0 HD23 LEU A 368 -3.441 -1.169 -1.655 1.00 0.25 H new ATOM 1016 N ASP A 369 -3.804 -2.392 -5.503 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.229 -2.320 -6.897 1.00 0.24 C ATOM 1018 C ASP A 369 -4.681 -0.904 -7.227 1.00 0.21 C ATOM 1019 O ASP A 369 -5.527 -0.333 -6.532 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.360 -3.318 -7.168 1.00 0.31 C ATOM 1021 CG ASP A 369 -6.006 -3.134 -8.532 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -5.287 -2.756 -9.479 1.00 1.52 O ATOM 1023 OD2 ASP A 369 -7.227 -3.363 -8.667 1.00 1.47 O ATOM 0 H ASP A 369 -4.544 -2.194 -4.830 1.00 0.21 H new ATOM 0 HA ASP A 369 -3.385 -2.581 -7.535 1.00 0.24 H new ATOM 0 HB2 ASP A 369 -4.967 -4.332 -7.093 1.00 0.31 H new ATOM 0 HB3 ASP A 369 -6.122 -3.213 -6.395 1.00 0.31 H new ATOM 1028 N PHE A 370 -4.108 -0.342 -8.278 1.00 0.25 N ATOM 1029 CA PHE A 370 -4.383 1.038 -8.655 1.00 0.26 C ATOM 1030 C PHE A 370 -5.115 1.104 -9.992 1.00 0.31 C ATOM 1031 O PHE A 370 -5.295 2.182 -10.557 1.00 0.35 O ATOM 1032 CB PHE A 370 -3.079 1.838 -8.712 1.00 0.31 C ATOM 1033 CG PHE A 370 -2.371 1.910 -7.388 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.737 2.854 -6.444 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -1.349 1.027 -7.083 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -2.097 2.918 -5.222 1.00 0.41 C ATOM 1037 CE2 PHE A 370 -0.703 1.086 -5.865 1.00 0.42 C ATOM 1038 CZ PHE A 370 -1.078 2.032 -4.932 1.00 0.44 C ATOM 0 H PHE A 370 -3.446 -0.821 -8.889 1.00 0.25 H new ATOM 0 HA PHE A 370 -5.031 1.479 -7.898 1.00 0.26 H new ATOM 0 HB2 PHE A 370 -2.414 1.386 -9.448 1.00 0.31 H new ATOM 0 HB3 PHE A 370 -3.295 2.849 -9.057 1.00 0.31 H new ATOM 0 HD1 PHE A 370 -3.533 3.549 -6.666 1.00 0.35 H new ATOM 0 HD2 PHE A 370 -1.054 0.283 -7.808 1.00 0.37 H new ATOM 0 HE1 PHE A 370 -2.393 3.659 -4.495 1.00 0.41 H new ATOM 0 HE2 PHE A 370 0.095 0.393 -5.642 1.00 0.42 H new ATOM 0 HZ PHE A 370 -0.575 2.079 -3.977 1.00 0.44 H new ATOM 1048 N GLY A 371 -5.525 -0.060 -10.488 1.00 0.40 N ATOM 1049 CA GLY A 371 -6.355 -0.130 -11.681 1.00 0.50 C ATOM 1050 C GLY A 371 -5.733 0.506 -12.910 1.00 0.49 C ATOM 1051 O GLY A 371 -4.855 -0.079 -13.548 1.00 0.58 O ATOM 0 H GLY A 371 -5.295 -0.966 -10.080 1.00 0.40 H new ATOM 0 HA2 GLY A 371 -6.573 -1.176 -11.898 1.00 0.50 H new ATOM 0 HA3 GLY A 371 -7.308 0.358 -11.476 1.00 0.50 H new ATOM 1055 N ASP A 372 -6.187 1.710 -13.237 1.00 0.49 N ATOM 1056 CA ASP A 372 -5.791 2.382 -14.469 1.00 0.56 C ATOM 1057 C ASP A 372 -4.641 3.344 -14.217 1.00 0.55 C ATOM 1058 O ASP A 372 -4.213 4.065 -15.118 1.00 0.72 O ATOM 1059 CB ASP A 372 -6.969 3.163 -15.064 1.00 0.71 C ATOM 1060 CG ASP A 372 -8.216 2.320 -15.246 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -8.307 1.586 -16.252 1.00 1.89 O ATOM 1062 OD2 ASP A 372 -9.116 2.394 -14.383 1.00 2.38 O ATOM 0 H ASP A 372 -6.836 2.245 -12.660 1.00 0.49 H new ATOM 0 HA ASP A 372 -5.471 1.613 -15.172 1.00 0.56 H new ATOM 0 HB2 ASP A 372 -7.201 4.007 -14.415 1.00 0.71 H new ATOM 0 HB3 ASP A 372 -6.673 3.575 -16.029 1.00 0.71 H new ATOM 1067 N TYR A 373 -4.134 3.355 -12.995 1.00 0.52 N ATOM 1068 CA TYR A 373 -3.065 4.275 -12.637 1.00 0.51 C ATOM 1069 C TYR A 373 -1.700 3.685 -12.975 1.00 0.52 C ATOM 1070 O TYR A 373 -0.746 4.418 -13.235 1.00 0.60 O ATOM 1071 CB TYR A 373 -3.138 4.622 -11.147 1.00 0.50 C ATOM 1072 CG TYR A 373 -2.065 5.587 -10.693 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -2.178 6.947 -10.943 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -0.939 5.137 -10.017 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.199 7.831 -10.530 1.00 0.64 C ATOM 1076 CE2 TYR A 373 0.042 6.015 -9.604 1.00 0.64 C ATOM 1077 CZ TYR A 373 -0.091 7.360 -9.863 1.00 0.67 C ATOM 1078 OH TYR A 373 0.883 8.236 -9.443 1.00 0.79 O ATOM 0 H TYR A 373 -4.442 2.743 -12.239 1.00 0.52 H new ATOM 0 HA TYR A 373 -3.195 5.188 -13.219 1.00 0.51 H new ATOM 0 HB2 TYR A 373 -4.116 5.052 -10.931 1.00 0.50 H new ATOM 0 HB3 TYR A 373 -3.058 3.704 -10.565 1.00 0.50 H new ATOM 0 HD1 TYR A 373 -3.044 7.321 -11.468 1.00 0.56 H new ATOM 0 HD2 TYR A 373 -0.829 4.083 -9.811 1.00 0.56 H new ATOM 0 HE1 TYR A 373 -1.303 8.887 -10.730 1.00 0.64 H new ATOM 0 HE2 TYR A 373 0.912 5.648 -9.079 1.00 0.64 H new ATOM 0 HH TYR A 373 1.595 7.740 -8.988 1.00 0.79 H new ATOM 1088 N GLN A 374 -1.608 2.364 -12.987 1.00 0.53 N ATOM 1089 CA GLN A 374 -0.342 1.706 -13.264 1.00 0.59 C ATOM 1090 C GLN A 374 -0.557 0.303 -13.808 1.00 0.60 C ATOM 1091 O GLN A 374 -1.632 -0.282 -13.647 1.00 0.59 O ATOM 1092 CB GLN A 374 0.518 1.630 -12.000 1.00 0.63 C ATOM 1093 CG GLN A 374 -0.111 0.817 -10.880 1.00 0.59 C ATOM 1094 CD GLN A 374 0.859 0.518 -9.752 1.00 0.69 C ATOM 1095 OE1 GLN A 374 0.756 -0.516 -9.095 1.00 1.09 O ATOM 1096 NE2 GLN A 374 1.805 1.414 -9.517 1.00 0.85 N ATOM 0 H GLN A 374 -2.388 1.731 -12.810 1.00 0.53 H new ATOM 0 HA GLN A 374 0.174 2.301 -14.018 1.00 0.59 H new ATOM 0 HB2 GLN A 374 1.484 1.194 -12.254 1.00 0.63 H new ATOM 0 HB3 GLN A 374 0.709 2.641 -11.640 1.00 0.63 H new ATOM 0 HG2 GLN A 374 -0.968 1.359 -10.481 1.00 0.59 H new ATOM 0 HG3 GLN A 374 -0.488 -0.121 -11.286 1.00 0.59 H new ATOM 0 HE21 GLN A 374 1.858 2.260 -10.084 1.00 0.85 H new ATOM 0 HE22 GLN A 374 2.481 1.258 -8.769 1.00 0.85 H new ATOM 1105 N ASP A 375 0.471 -0.222 -14.451 1.00 0.74 N ATOM 1106 CA ASP A 375 0.471 -1.596 -14.922 1.00 0.78 C ATOM 1107 C ASP A 375 1.018 -2.519 -13.842 1.00 0.64 C ATOM 1108 O ASP A 375 2.142 -2.336 -13.367 1.00 0.73 O ATOM 1109 CB ASP A 375 1.304 -1.726 -16.199 1.00 1.06 C ATOM 1110 CG ASP A 375 1.616 -3.169 -16.545 1.00 1.71 C ATOM 1111 OD1 ASP A 375 0.717 -3.873 -17.048 1.00 2.21 O ATOM 1112 OD2 ASP A 375 2.762 -3.605 -16.303 1.00 2.30 O ATOM 0 H ASP A 375 1.327 0.291 -14.661 1.00 0.74 H new ATOM 0 HA ASP A 375 -0.555 -1.885 -15.148 1.00 0.78 H new ATOM 0 HB2 ASP A 375 0.767 -1.265 -17.028 1.00 1.06 H new ATOM 0 HB3 ASP A 375 2.237 -1.175 -16.078 1.00 1.06 H new ATOM 1117 N GLY A 376 0.218 -3.495 -13.452 1.00 0.57 N ATOM 1118 CA GLY A 376 0.620 -4.412 -12.410 1.00 0.53 C ATOM 1119 C GLY A 376 0.063 -4.006 -11.063 1.00 0.52 C ATOM 1120 O GLY A 376 -0.693 -3.039 -10.966 1.00 0.70 O ATOM 0 H GLY A 376 -0.709 -3.670 -13.841 1.00 0.57 H new ATOM 0 HA2 GLY A 376 0.278 -5.417 -12.658 1.00 0.53 H new ATOM 0 HA3 GLY A 376 1.708 -4.449 -12.358 1.00 0.53 H new ATOM 1124 N TYR A 377 0.429 -4.738 -10.027 1.00 0.46 N ATOM 1125 CA TYR A 377 -0.040 -4.443 -8.684 1.00 0.46 C ATOM 1126 C TYR A 377 1.152 -4.174 -7.782 1.00 0.37 C ATOM 1127 O TYR A 377 2.301 -4.209 -8.231 1.00 0.38 O ATOM 1128 CB TYR A 377 -0.848 -5.616 -8.118 1.00 0.53 C ATOM 1129 CG TYR A 377 -1.860 -6.193 -9.082 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -3.073 -5.559 -9.320 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -1.598 -7.379 -9.749 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -3.996 -6.095 -10.199 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -2.511 -7.919 -10.629 1.00 0.76 C ATOM 1134 CZ TYR A 377 -3.708 -7.275 -10.852 1.00 0.91 C ATOM 1135 OH TYR A 377 -4.618 -7.819 -11.730 1.00 1.06 O ATOM 0 H TYR A 377 1.051 -5.544 -10.089 1.00 0.46 H new ATOM 0 HA TYR A 377 -0.684 -3.565 -8.727 1.00 0.46 H new ATOM 0 HB2 TYR A 377 -0.159 -6.405 -7.816 1.00 0.53 H new ATOM 0 HB3 TYR A 377 -1.367 -5.285 -7.219 1.00 0.53 H new ATOM 0 HD1 TYR A 377 -3.298 -4.634 -8.811 1.00 0.83 H new ATOM 0 HD2 TYR A 377 -0.662 -7.889 -9.576 1.00 0.64 H new ATOM 0 HE1 TYR A 377 -4.936 -5.593 -10.373 1.00 0.97 H new ATOM 0 HE2 TYR A 377 -2.289 -8.843 -11.142 1.00 0.76 H new ATOM 0 HH TYR A 377 -4.256 -8.650 -12.103 1.00 1.06 H new ATOM 1145 N TYR A 378 0.886 -3.914 -6.519 1.00 0.32 N ATOM 1146 CA TYR A 378 1.945 -3.738 -5.549 1.00 0.29 C ATOM 1147 C TYR A 378 1.782 -4.752 -4.426 1.00 0.24 C ATOM 1148 O TYR A 378 1.095 -4.501 -3.438 1.00 0.26 O ATOM 1149 CB TYR A 378 1.938 -2.308 -5.000 1.00 0.31 C ATOM 1150 CG TYR A 378 3.092 -2.002 -4.070 1.00 0.32 C ATOM 1151 CD1 TYR A 378 4.402 -2.263 -4.451 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.870 -1.447 -2.816 1.00 0.37 C ATOM 1153 CE1 TYR A 378 5.457 -1.981 -3.608 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.923 -1.160 -1.968 1.00 0.40 C ATOM 1155 CZ TYR A 378 5.213 -1.431 -2.368 1.00 0.41 C ATOM 1156 OH TYR A 378 6.266 -1.144 -1.529 1.00 0.47 O ATOM 0 H TYR A 378 -0.056 -3.820 -6.140 1.00 0.32 H new ATOM 0 HA TYR A 378 2.907 -3.904 -6.035 1.00 0.29 H new ATOM 0 HB2 TYR A 378 1.962 -1.608 -5.836 1.00 0.31 H new ATOM 0 HB3 TYR A 378 1.001 -2.138 -4.469 1.00 0.31 H new ATOM 0 HD1 TYR A 378 4.598 -2.693 -5.422 1.00 0.36 H new ATOM 0 HD2 TYR A 378 1.859 -1.237 -2.499 1.00 0.37 H new ATOM 0 HE1 TYR A 378 6.470 -2.190 -3.918 1.00 0.41 H new ATOM 0 HE2 TYR A 378 3.735 -0.726 -0.997 1.00 0.40 H new ATOM 0 HH TYR A 378 7.064 -0.946 -2.062 1.00 0.47 H new ATOM 1166 N SER A 379 2.377 -5.919 -4.621 1.00 0.26 N ATOM 1167 CA SER A 379 2.308 -6.992 -3.644 1.00 0.27 C ATOM 1168 C SER A 379 3.589 -7.035 -2.820 1.00 0.24 C ATOM 1169 O SER A 379 4.687 -7.181 -3.366 1.00 0.29 O ATOM 1170 CB SER A 379 2.092 -8.329 -4.353 1.00 0.36 C ATOM 1171 OG SER A 379 1.019 -8.248 -5.279 1.00 1.06 O ATOM 0 H SER A 379 2.918 -6.147 -5.455 1.00 0.26 H new ATOM 0 HA SER A 379 1.468 -6.807 -2.974 1.00 0.27 H new ATOM 0 HB2 SER A 379 3.005 -8.620 -4.873 1.00 0.36 H new ATOM 0 HB3 SER A 379 1.883 -9.105 -3.617 1.00 0.36 H new ATOM 0 HG SER A 379 0.902 -9.115 -5.721 1.00 1.06 H new ATOM 1177 N VAL A 380 3.448 -6.884 -1.516 1.00 0.22 N ATOM 1178 CA VAL A 380 4.589 -6.900 -0.616 1.00 0.24 C ATOM 1179 C VAL A 380 4.372 -7.880 0.526 1.00 0.23 C ATOM 1180 O VAL A 380 3.280 -7.960 1.088 1.00 0.30 O ATOM 1181 CB VAL A 380 4.873 -5.499 -0.030 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.424 -4.574 -1.099 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.615 -4.904 0.591 1.00 0.29 C ATOM 0 H VAL A 380 2.549 -6.748 -1.053 1.00 0.22 H new ATOM 0 HA VAL A 380 5.449 -7.216 -1.207 1.00 0.24 H new ATOM 0 HB VAL A 380 5.622 -5.607 0.754 1.00 0.27 H new ATOM 0 HG11 VAL A 380 5.617 -3.592 -0.666 1.00 0.33 H new ATOM 0 HG12 VAL A 380 6.353 -4.986 -1.493 1.00 0.33 H new ATOM 0 HG13 VAL A 380 4.698 -4.478 -1.906 1.00 0.33 H new ATOM 0 HG21 VAL A 380 3.841 -3.918 0.997 1.00 0.29 H new ATOM 0 HG22 VAL A 380 2.841 -4.814 -0.171 1.00 0.29 H new ATOM 0 HG23 VAL A 380 3.262 -5.554 1.392 1.00 0.29 H new ATOM 1193 N GLN A 381 5.410 -8.632 0.859 1.00 0.22 N ATOM 1194 CA GLN A 381 5.355 -9.545 1.992 1.00 0.24 C ATOM 1195 C GLN A 381 5.535 -8.758 3.282 1.00 0.24 C ATOM 1196 O GLN A 381 6.509 -8.023 3.433 1.00 0.32 O ATOM 1197 CB GLN A 381 6.435 -10.627 1.871 1.00 0.34 C ATOM 1198 CG GLN A 381 6.448 -11.612 3.032 1.00 0.43 C ATOM 1199 CD GLN A 381 7.496 -12.699 2.871 1.00 0.72 C ATOM 1200 OE1 GLN A 381 8.642 -12.545 3.295 1.00 1.47 O ATOM 1201 NE2 GLN A 381 7.106 -13.810 2.267 1.00 0.94 N ATOM 0 H GLN A 381 6.300 -8.629 0.362 1.00 0.22 H new ATOM 0 HA GLN A 381 4.384 -10.040 2.003 1.00 0.24 H new ATOM 0 HB2 GLN A 381 6.284 -11.176 0.942 1.00 0.34 H new ATOM 0 HB3 GLN A 381 7.411 -10.147 1.802 1.00 0.34 H new ATOM 0 HG2 GLN A 381 6.633 -11.070 3.960 1.00 0.43 H new ATOM 0 HG3 GLN A 381 5.464 -12.073 3.122 1.00 0.43 H new ATOM 0 HE21 GLN A 381 6.147 -13.898 1.930 1.00 0.94 H new ATOM 0 HE22 GLN A 381 7.764 -14.579 2.138 1.00 0.94 H new ATOM 1210 N THR A 382 4.591 -8.899 4.197 1.00 0.21 N ATOM 1211 CA THR A 382 4.630 -8.164 5.446 1.00 0.26 C ATOM 1212 C THR A 382 3.602 -8.708 6.430 1.00 0.25 C ATOM 1213 O THR A 382 2.520 -9.147 6.039 1.00 0.30 O ATOM 1214 CB THR A 382 4.378 -6.655 5.223 1.00 0.30 C ATOM 1215 OG1 THR A 382 4.467 -5.949 6.467 1.00 0.42 O ATOM 1216 CG2 THR A 382 3.013 -6.406 4.591 1.00 0.28 C ATOM 0 H THR A 382 3.787 -9.518 4.096 1.00 0.21 H new ATOM 0 HA THR A 382 5.629 -8.293 5.862 1.00 0.26 H new ATOM 0 HB THR A 382 5.144 -6.289 4.540 1.00 0.30 H new ATOM 0 HG1 THR A 382 5.339 -5.506 6.530 1.00 0.42 H new ATOM 0 HG21 THR A 382 2.868 -5.335 4.448 1.00 0.28 H new ATOM 0 HG22 THR A 382 2.961 -6.911 3.627 1.00 0.28 H new ATOM 0 HG23 THR A 382 2.233 -6.793 5.246 1.00 0.28 H new ATOM 1224 N THR A 383 3.952 -8.678 7.704 1.00 0.31 N ATOM 1225 CA THR A 383 3.048 -9.090 8.760 1.00 0.37 C ATOM 1226 C THR A 383 2.195 -7.913 9.223 1.00 0.36 C ATOM 1227 O THR A 383 1.310 -8.062 10.065 1.00 0.46 O ATOM 1228 CB THR A 383 3.837 -9.663 9.949 1.00 0.50 C ATOM 1229 OG1 THR A 383 5.014 -8.870 10.167 1.00 0.55 O ATOM 1230 CG2 THR A 383 4.229 -11.111 9.696 1.00 0.55 C ATOM 0 H THR A 383 4.867 -8.369 8.033 1.00 0.31 H new ATOM 0 HA THR A 383 2.392 -9.866 8.364 1.00 0.37 H new ATOM 0 HB THR A 383 3.202 -9.633 10.835 1.00 0.50 H new ATOM 0 HG1 THR A 383 5.517 -9.233 10.926 1.00 0.55 H new ATOM 0 HG21 THR A 383 4.786 -11.492 10.552 1.00 0.55 H new ATOM 0 HG22 THR A 383 3.331 -11.711 9.551 1.00 0.55 H new ATOM 0 HG23 THR A 383 4.852 -11.169 8.803 1.00 0.55 H new ATOM 1238 N GLU A 384 2.457 -6.742 8.650 1.00 0.31 N ATOM 1239 CA GLU A 384 1.735 -5.530 9.007 1.00 0.35 C ATOM 1240 C GLU A 384 0.696 -5.188 7.941 1.00 0.28 C ATOM 1241 O GLU A 384 0.160 -4.079 7.918 1.00 0.27 O ATOM 1242 CB GLU A 384 2.710 -4.361 9.179 1.00 0.46 C ATOM 1243 CG GLU A 384 3.775 -4.604 10.238 1.00 0.57 C ATOM 1244 CD GLU A 384 4.625 -3.377 10.511 1.00 0.90 C ATOM 1245 OE1 GLU A 384 4.244 -2.568 11.385 1.00 1.39 O ATOM 1246 OE2 GLU A 384 5.682 -3.220 9.864 1.00 0.95 O ATOM 0 H GLU A 384 3.169 -6.609 7.932 1.00 0.31 H new ATOM 0 HA GLU A 384 1.221 -5.705 9.952 1.00 0.35 H new ATOM 0 HB2 GLU A 384 3.198 -4.163 8.225 1.00 0.46 H new ATOM 0 HB3 GLU A 384 2.147 -3.465 9.441 1.00 0.46 H new ATOM 0 HG2 GLU A 384 3.294 -4.921 11.164 1.00 0.57 H new ATOM 0 HG3 GLU A 384 4.419 -5.423 9.917 1.00 0.57 H new ATOM 1253 N GLY A 385 0.402 -6.161 7.081 1.00 0.27 N ATOM 1254 CA GLY A 385 -0.508 -5.945 5.966 1.00 0.27 C ATOM 1255 C GLY A 385 -1.867 -5.411 6.384 1.00 0.26 C ATOM 1256 O GLY A 385 -2.375 -4.457 5.788 1.00 0.27 O ATOM 0 H GLY A 385 0.782 -7.106 7.138 1.00 0.27 H new ATOM 0 HA2 GLY A 385 -0.052 -5.245 5.266 1.00 0.27 H new ATOM 0 HA3 GLY A 385 -0.645 -6.886 5.432 1.00 0.27 H new ATOM 1260 N GLU A 386 -2.454 -6.005 7.415 1.00 0.30 N ATOM 1261 CA GLU A 386 -3.782 -5.602 7.866 1.00 0.35 C ATOM 1262 C GLU A 386 -3.736 -4.222 8.517 1.00 0.31 C ATOM 1263 O GLU A 386 -4.713 -3.471 8.479 1.00 0.36 O ATOM 1264 CB GLU A 386 -4.354 -6.636 8.840 1.00 0.44 C ATOM 1265 CG GLU A 386 -5.779 -6.340 9.279 1.00 0.53 C ATOM 1266 CD GLU A 386 -6.343 -7.409 10.188 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -6.155 -7.304 11.419 1.00 2.28 O ATOM 1268 OE2 GLU A 386 -6.979 -8.357 9.674 1.00 1.77 O ATOM 0 H GLU A 386 -2.035 -6.764 7.953 1.00 0.30 H new ATOM 0 HA GLU A 386 -4.436 -5.547 6.996 1.00 0.35 H new ATOM 0 HB2 GLU A 386 -4.325 -7.619 8.370 1.00 0.44 H new ATOM 0 HB3 GLU A 386 -3.714 -6.684 9.721 1.00 0.44 H new ATOM 0 HG2 GLU A 386 -5.804 -5.380 9.795 1.00 0.53 H new ATOM 0 HG3 GLU A 386 -6.414 -6.245 8.398 1.00 0.53 H new ATOM 1275 N GLN A 387 -2.594 -3.882 9.098 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.424 -2.580 9.729 1.00 0.30 C ATOM 1277 C GLN A 387 -2.362 -1.486 8.672 1.00 0.27 C ATOM 1278 O GLN A 387 -2.913 -0.399 8.856 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.167 -2.541 10.606 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.270 -3.384 11.869 1.00 0.45 C ATOM 1281 CD GLN A 387 -1.081 -4.868 11.619 1.00 1.13 C ATOM 1282 OE1 GLN A 387 -2.033 -5.590 11.320 1.00 2.27 O ATOM 1283 NE2 GLN A 387 0.146 -5.338 11.759 1.00 0.83 N ATOM 0 H GLN A 387 -1.774 -4.487 9.146 1.00 0.29 H new ATOM 0 HA GLN A 387 -3.286 -2.406 10.373 1.00 0.30 H new ATOM 0 HB2 GLN A 387 -0.316 -2.886 10.019 1.00 0.35 H new ATOM 0 HB3 GLN A 387 -0.963 -1.508 10.886 1.00 0.35 H new ATOM 0 HG2 GLN A 387 -0.521 -3.045 12.585 1.00 0.45 H new ATOM 0 HG3 GLN A 387 -2.246 -3.221 12.327 1.00 0.45 H new ATOM 0 HE21 GLN A 387 0.908 -4.708 12.008 1.00 0.83 H new ATOM 0 HE22 GLN A 387 0.331 -6.331 11.618 1.00 0.83 H new ATOM 1292 N ILE A 388 -1.698 -1.785 7.560 1.00 0.24 N ATOM 1293 CA ILE A 388 -1.634 -0.859 6.435 1.00 0.23 C ATOM 1294 C ILE A 388 -3.038 -0.591 5.903 1.00 0.22 C ATOM 1295 O ILE A 388 -3.442 0.559 5.727 1.00 0.22 O ATOM 1296 CB ILE A 388 -0.763 -1.417 5.287 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.613 -1.834 5.809 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.617 -0.378 4.183 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.476 -2.521 4.771 1.00 0.29 C ATOM 0 H ILE A 388 -1.197 -2.661 7.414 1.00 0.24 H new ATOM 0 HA ILE A 388 -1.182 0.065 6.796 1.00 0.23 H new ATOM 0 HB ILE A 388 -1.257 -2.298 4.876 1.00 0.23 H new ATOM 0 HG12 ILE A 388 1.136 -0.951 6.176 1.00 0.27 H new ATOM 0 HG13 ILE A 388 0.482 -2.503 6.660 1.00 0.27 H new ATOM 0 HG21 ILE A 388 -0.001 -0.784 3.380 1.00 0.24 H new ATOM 0 HG22 ILE A 388 -1.602 -0.123 3.791 1.00 0.24 H new ATOM 0 HG23 ILE A 388 -0.144 0.517 4.586 1.00 0.24 H new ATOM 0 HD11 ILE A 388 2.436 -2.787 5.214 1.00 0.29 H new ATOM 0 HD12 ILE A 388 0.975 -3.424 4.421 1.00 0.29 H new ATOM 0 HD13 ILE A 388 1.639 -1.847 3.930 1.00 0.29 H new ATOM 1311 N ALA A 389 -3.778 -1.673 5.676 1.00 0.22 N ATOM 1312 CA ALA A 389 -5.142 -1.591 5.170 1.00 0.24 C ATOM 1313 C ALA A 389 -6.026 -0.755 6.089 1.00 0.22 C ATOM 1314 O ALA A 389 -6.772 0.114 5.630 1.00 0.23 O ATOM 1315 CB ALA A 389 -5.719 -2.988 5.017 1.00 0.28 C ATOM 0 H ALA A 389 -3.450 -2.625 5.837 1.00 0.22 H new ATOM 0 HA ALA A 389 -5.115 -1.101 4.197 1.00 0.24 H new ATOM 0 HB1 ALA A 389 -6.739 -2.921 4.638 1.00 0.28 H new ATOM 0 HB2 ALA A 389 -5.109 -3.559 4.317 1.00 0.28 H new ATOM 0 HB3 ALA A 389 -5.724 -3.488 5.986 1.00 0.28 H new ATOM 1321 N GLN A 390 -5.931 -1.024 7.387 1.00 0.22 N ATOM 1322 CA GLN A 390 -6.717 -0.310 8.384 1.00 0.25 C ATOM 1323 C GLN A 390 -6.411 1.184 8.359 1.00 0.21 C ATOM 1324 O GLN A 390 -7.321 2.017 8.401 1.00 0.23 O ATOM 1325 CB GLN A 390 -6.435 -0.874 9.779 1.00 0.34 C ATOM 1326 CG GLN A 390 -7.116 -0.105 10.903 1.00 0.50 C ATOM 1327 CD GLN A 390 -6.774 -0.657 12.273 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -5.697 -1.211 12.480 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -7.683 -0.496 13.220 1.00 1.61 N ATOM 0 H GLN A 390 -5.312 -1.737 7.774 1.00 0.22 H new ATOM 0 HA GLN A 390 -7.771 -0.448 8.144 1.00 0.25 H new ATOM 0 HB2 GLN A 390 -6.761 -1.913 9.813 1.00 0.34 H new ATOM 0 HB3 GLN A 390 -5.359 -0.872 9.951 1.00 0.34 H new ATOM 0 HG2 GLN A 390 -6.821 0.943 10.853 1.00 0.50 H new ATOM 0 HG3 GLN A 390 -8.196 -0.139 10.760 1.00 0.50 H new ATOM 0 HE21 GLN A 390 -8.565 -0.030 13.006 1.00 1.61 H new ATOM 0 HE22 GLN A 390 -7.502 -0.838 14.164 1.00 1.61 H new ATOM 1338 N LEU A 391 -5.130 1.515 8.279 1.00 0.21 N ATOM 1339 CA LEU A 391 -4.696 2.904 8.314 1.00 0.22 C ATOM 1340 C LEU A 391 -5.214 3.668 7.099 1.00 0.20 C ATOM 1341 O LEU A 391 -5.732 4.778 7.234 1.00 0.22 O ATOM 1342 CB LEU A 391 -3.171 2.985 8.377 1.00 0.26 C ATOM 1343 CG LEU A 391 -2.611 4.380 8.657 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -3.035 4.860 10.038 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -1.098 4.377 8.531 1.00 0.63 C ATOM 0 H LEU A 391 -4.372 0.839 8.189 1.00 0.21 H new ATOM 0 HA LEU A 391 -5.110 3.365 9.211 1.00 0.22 H new ATOM 0 HB2 LEU A 391 -2.817 2.305 9.152 1.00 0.26 H new ATOM 0 HB3 LEU A 391 -2.763 2.629 7.431 1.00 0.26 H new ATOM 0 HG LEU A 391 -3.017 5.071 7.918 1.00 0.27 H new ATOM 0 HD11 LEU A 391 -2.627 5.854 10.219 1.00 0.60 H new ATOM 0 HD12 LEU A 391 -4.123 4.899 10.091 1.00 0.60 H new ATOM 0 HD13 LEU A 391 -2.659 4.171 10.794 1.00 0.60 H new ATOM 0 HD21 LEU A 391 -0.714 5.377 8.733 1.00 0.63 H new ATOM 0 HD22 LEU A 391 -0.675 3.674 9.248 1.00 0.63 H new ATOM 0 HD23 LEU A 391 -0.818 4.078 7.521 1.00 0.63 H new ATOM 1357 N ILE A 392 -5.086 3.062 5.919 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.558 3.682 4.682 1.00 0.17 C ATOM 1359 C ILE A 392 -7.059 3.947 4.755 1.00 0.17 C ATOM 1360 O ILE A 392 -7.515 5.061 4.486 1.00 0.19 O ATOM 1361 CB ILE A 392 -5.255 2.802 3.446 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.750 2.561 3.318 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.801 3.453 2.178 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -3.375 1.633 2.180 1.00 0.21 C ATOM 0 H ILE A 392 -4.660 2.144 5.794 1.00 0.18 H new ATOM 0 HA ILE A 392 -5.023 4.625 4.572 1.00 0.17 H new ATOM 0 HB ILE A 392 -5.749 1.840 3.579 1.00 0.17 H new ATOM 0 HG12 ILE A 392 -3.249 3.518 3.174 1.00 0.19 H new ATOM 0 HG13 ILE A 392 -3.377 2.143 4.253 1.00 0.19 H new ATOM 0 HG21 ILE A 392 -5.578 2.820 1.319 1.00 0.19 H new ATOM 0 HG22 ILE A 392 -6.880 3.576 2.268 1.00 0.19 H new ATOM 0 HG23 ILE A 392 -5.335 4.429 2.040 1.00 0.19 H new ATOM 0 HD11 ILE A 392 -2.292 1.510 2.152 1.00 0.21 H new ATOM 0 HD12 ILE A 392 -3.847 0.662 2.332 1.00 0.21 H new ATOM 0 HD13 ILE A 392 -3.716 2.058 1.236 1.00 0.21 H new ATOM 1376 N ALA A 393 -7.816 2.927 5.146 1.00 0.18 N ATOM 1377 CA ALA A 393 -9.265 3.041 5.260 1.00 0.21 C ATOM 1378 C ALA A 393 -9.654 4.130 6.259 1.00 0.23 C ATOM 1379 O ALA A 393 -10.681 4.792 6.098 1.00 0.29 O ATOM 1380 CB ALA A 393 -9.870 1.705 5.668 1.00 0.24 C ATOM 0 H ALA A 393 -7.447 2.008 5.390 1.00 0.18 H new ATOM 0 HA ALA A 393 -9.661 3.322 4.284 1.00 0.21 H new ATOM 0 HB1 ALA A 393 -10.952 1.805 5.749 1.00 0.24 H new ATOM 0 HB2 ALA A 393 -9.631 0.953 4.917 1.00 0.24 H new ATOM 0 HB3 ALA A 393 -9.461 1.399 6.631 1.00 0.24 H new ATOM 1386 N GLY A 394 -8.825 4.311 7.282 1.00 0.23 N ATOM 1387 CA GLY A 394 -9.081 5.337 8.277 1.00 0.27 C ATOM 1388 C GLY A 394 -8.953 6.735 7.709 1.00 0.28 C ATOM 1389 O GLY A 394 -9.809 7.589 7.940 1.00 0.35 O ATOM 0 H GLY A 394 -7.979 3.764 7.440 1.00 0.23 H new ATOM 0 HA2 GLY A 394 -10.083 5.203 8.684 1.00 0.27 H new ATOM 0 HA3 GLY A 394 -8.382 5.219 9.105 1.00 0.27 H new ATOM 1393 N TYR A 395 -7.887 6.973 6.954 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.675 8.273 6.332 1.00 0.30 C ATOM 1395 C TYR A 395 -8.686 8.509 5.216 1.00 0.30 C ATOM 1396 O TYR A 395 -9.149 9.631 5.013 1.00 0.36 O ATOM 1397 CB TYR A 395 -6.248 8.394 5.794 1.00 0.31 C ATOM 1398 CG TYR A 395 -5.205 8.567 6.878 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -5.305 9.601 7.800 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -4.119 7.705 6.977 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -4.357 9.773 8.788 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -3.164 7.872 7.964 1.00 0.51 C ATOM 1403 CZ TYR A 395 -3.289 8.907 8.865 1.00 0.58 C ATOM 1404 OH TYR A 395 -2.341 9.082 9.850 1.00 0.70 O ATOM 0 H TYR A 395 -7.159 6.286 6.759 1.00 0.27 H new ATOM 0 HA TYR A 395 -7.819 9.038 7.095 1.00 0.30 H new ATOM 0 HB2 TYR A 395 -6.011 7.503 5.212 1.00 0.31 H new ATOM 0 HB3 TYR A 395 -6.196 9.243 5.112 1.00 0.31 H new ATOM 0 HD1 TYR A 395 -6.140 10.283 7.743 1.00 0.48 H new ATOM 0 HD2 TYR A 395 -4.019 6.892 6.273 1.00 0.41 H new ATOM 0 HE1 TYR A 395 -4.452 10.582 9.497 1.00 0.58 H new ATOM 0 HE2 TYR A 395 -2.325 7.195 8.028 1.00 0.51 H new ATOM 0 HH TYR A 395 -1.653 8.388 9.769 1.00 0.70 H new ATOM 1414 N ILE A 396 -9.035 7.440 4.507 1.00 0.27 N ATOM 1415 CA ILE A 396 -10.056 7.500 3.469 1.00 0.31 C ATOM 1416 C ILE A 396 -11.378 7.994 4.039 1.00 0.37 C ATOM 1417 O ILE A 396 -12.055 8.807 3.419 1.00 0.45 O ATOM 1418 CB ILE A 396 -10.237 6.121 2.785 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -9.101 5.901 1.785 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -11.605 5.987 2.100 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -9.035 4.498 1.239 1.00 0.42 C ATOM 0 H ILE A 396 -8.622 6.516 4.635 1.00 0.27 H new ATOM 0 HA ILE A 396 -9.722 8.210 2.713 1.00 0.31 H new ATOM 0 HB ILE A 396 -10.201 5.351 3.555 1.00 0.33 H new ATOM 0 HG12 ILE A 396 -9.219 6.598 0.956 1.00 0.34 H new ATOM 0 HG13 ILE A 396 -8.153 6.138 2.268 1.00 0.34 H new ATOM 0 HG21 ILE A 396 -11.684 5.004 1.635 1.00 0.38 H new ATOM 0 HG22 ILE A 396 -12.396 6.103 2.841 1.00 0.38 H new ATOM 0 HG23 ILE A 396 -11.707 6.759 1.337 1.00 0.38 H new ATOM 0 HD11 ILE A 396 -8.205 4.419 0.537 1.00 0.42 H new ATOM 0 HD12 ILE A 396 -8.885 3.795 2.059 1.00 0.42 H new ATOM 0 HD13 ILE A 396 -9.967 4.263 0.726 1.00 0.42 H new ATOM 1433 N ASP A 397 -11.718 7.538 5.239 1.00 0.38 N ATOM 1434 CA ASP A 397 -12.969 7.937 5.876 1.00 0.47 C ATOM 1435 C ASP A 397 -12.992 9.437 6.161 1.00 0.51 C ATOM 1436 O ASP A 397 -14.042 10.068 6.103 1.00 0.63 O ATOM 1437 CB ASP A 397 -13.192 7.158 7.172 1.00 0.52 C ATOM 1438 CG ASP A 397 -14.504 7.524 7.836 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -15.570 7.116 7.329 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -14.474 8.214 8.878 1.00 0.99 O ATOM 0 H ASP A 397 -11.149 6.895 5.789 1.00 0.38 H new ATOM 0 HA ASP A 397 -13.777 7.706 5.182 1.00 0.47 H new ATOM 0 HB2 ASP A 397 -13.179 6.089 6.959 1.00 0.52 H new ATOM 0 HB3 ASP A 397 -12.370 7.356 7.860 1.00 0.52 H new ATOM 1445 N ILE A 398 -11.828 10.005 6.454 1.00 0.47 N ATOM 1446 CA ILE A 398 -11.724 11.434 6.734 1.00 0.53 C ATOM 1447 C ILE A 398 -11.953 12.258 5.465 1.00 0.55 C ATOM 1448 O ILE A 398 -12.617 13.296 5.493 1.00 0.65 O ATOM 1449 CB ILE A 398 -10.345 11.788 7.340 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -10.135 11.027 8.653 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -10.222 13.290 7.564 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -8.790 11.285 9.298 1.00 0.81 C ATOM 0 H ILE A 398 -10.943 9.500 6.504 1.00 0.47 H new ATOM 0 HA ILE A 398 -12.498 11.678 7.461 1.00 0.53 H new ATOM 0 HB ILE A 398 -9.570 11.488 6.635 1.00 0.54 H new ATOM 0 HG12 ILE A 398 -10.923 11.304 9.353 1.00 0.57 H new ATOM 0 HG13 ILE A 398 -10.238 9.959 8.464 1.00 0.57 H new ATOM 0 HG21 ILE A 398 -9.245 13.515 7.991 1.00 0.62 H new ATOM 0 HG22 ILE A 398 -10.331 13.810 6.612 1.00 0.62 H new ATOM 0 HG23 ILE A 398 -11.002 13.621 8.250 1.00 0.62 H new ATOM 0 HD11 ILE A 398 -8.714 10.713 10.223 1.00 0.81 H new ATOM 0 HD12 ILE A 398 -7.995 10.981 8.617 1.00 0.81 H new ATOM 0 HD13 ILE A 398 -8.691 12.348 9.520 1.00 0.81 H new ATOM 1464 N ILE A 399 -11.411 11.779 4.354 1.00 0.50 N ATOM 1465 CA ILE A 399 -11.531 12.475 3.077 1.00 0.52 C ATOM 1466 C ILE A 399 -12.902 12.220 2.445 1.00 0.59 C ATOM 1467 O ILE A 399 -13.440 13.063 1.724 1.00 0.72 O ATOM 1468 CB ILE A 399 -10.423 12.021 2.098 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -9.043 12.205 2.737 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -10.507 12.794 0.787 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -7.902 11.692 1.885 1.00 0.48 C ATOM 0 H ILE A 399 -10.882 10.908 4.310 1.00 0.50 H new ATOM 0 HA ILE A 399 -11.421 13.542 3.271 1.00 0.52 H new ATOM 0 HB ILE A 399 -10.572 10.963 1.880 1.00 0.47 H new ATOM 0 HG12 ILE A 399 -8.885 13.264 2.940 1.00 0.47 H new ATOM 0 HG13 ILE A 399 -9.026 11.691 3.698 1.00 0.47 H new ATOM 0 HG21 ILE A 399 -9.718 12.457 0.115 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -11.478 12.619 0.323 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -10.386 13.859 0.984 1.00 0.50 H new ATOM 0 HD11 ILE A 399 -6.958 11.857 2.404 1.00 0.48 H new ATOM 0 HD12 ILE A 399 -8.034 10.625 1.703 1.00 0.48 H new ATOM 0 HD13 ILE A 399 -7.891 12.223 0.933 1.00 0.48 H new ATOM 1603 N TRP B 374 -9.744 -7.688 -0.285 1.00 1.08 N ATOM 1604 CA TRP B 374 -10.038 -6.745 -1.360 1.00 0.61 C ATOM 1605 C TRP B 374 -11.002 -5.684 -0.887 1.00 0.55 C ATOM 1606 O TRP B 374 -12.218 -5.797 -1.042 1.00 0.90 O ATOM 1607 CB TRP B 374 -10.569 -7.454 -2.608 1.00 0.88 C ATOM 1608 CG TRP B 374 -9.577 -8.394 -3.216 1.00 0.97 C ATOM 1609 CD1 TRP B 374 -9.540 -9.750 -3.075 1.00 1.38 C ATOM 1610 CD2 TRP B 374 -8.465 -8.044 -4.047 1.00 0.81 C ATOM 1611 NE1 TRP B 374 -8.484 -10.268 -3.784 1.00 1.42 N ATOM 1612 CE2 TRP B 374 -7.808 -9.240 -4.387 1.00 1.02 C ATOM 1613 CE3 TRP B 374 -7.967 -6.836 -4.544 1.00 0.85 C ATOM 1614 CZ2 TRP B 374 -6.676 -9.262 -5.201 1.00 0.98 C ATOM 1615 CZ3 TRP B 374 -6.844 -6.859 -5.350 1.00 0.97 C ATOM 1616 CH2 TRP B 374 -6.210 -8.064 -5.671 1.00 0.88 C ATOM 0 HA TRP B 374 -9.103 -6.260 -1.639 1.00 0.61 H new ATOM 0 HB2 TRP B 374 -11.472 -8.006 -2.348 1.00 0.88 H new ATOM 0 HB3 TRP B 374 -10.854 -6.707 -3.349 1.00 0.88 H new ATOM 0 HD1 TRP B 374 -10.239 -10.331 -2.491 1.00 1.38 H new ATOM 0 HE1 TRP B 374 -8.242 -11.257 -3.851 1.00 1.42 H new ATOM 0 HE3 TRP B 374 -8.451 -5.901 -4.303 1.00 0.85 H new ATOM 0 HZ2 TRP B 374 -6.185 -10.191 -5.451 1.00 0.98 H new ATOM 0 HZ3 TRP B 374 -6.450 -5.932 -5.738 1.00 0.97 H new ATOM 0 HH2 TRP B 374 -5.334 -8.049 -6.303 1.00 0.88 H new ATOM 1627 N VAL B 375 -10.433 -4.656 -0.300 1.00 0.40 N ATOM 1628 CA VAL B 375 -11.209 -3.557 0.238 1.00 0.38 C ATOM 1629 C VAL B 375 -11.162 -2.396 -0.737 1.00 0.44 C ATOM 1630 O VAL B 375 -10.093 -1.869 -1.042 1.00 0.53 O ATOM 1631 CB VAL B 375 -10.701 -3.101 1.627 1.00 0.48 C ATOM 1632 CG1 VAL B 375 -11.596 -1.999 2.186 1.00 0.84 C ATOM 1633 CG2 VAL B 375 -10.635 -4.274 2.605 1.00 1.07 C ATOM 0 H VAL B 375 -9.425 -4.556 -0.181 1.00 0.40 H new ATOM 0 HA VAL B 375 -12.234 -3.902 0.372 1.00 0.38 H new ATOM 0 HB VAL B 375 -9.692 -2.708 1.501 1.00 0.48 H new ATOM 0 HG11 VAL B 375 -11.225 -1.690 3.163 1.00 0.84 H new ATOM 0 HG12 VAL B 375 -11.589 -1.145 1.508 1.00 0.84 H new ATOM 0 HG13 VAL B 375 -12.615 -2.374 2.287 1.00 0.84 H new ATOM 0 HG21 VAL B 375 -10.275 -3.922 3.572 1.00 1.07 H new ATOM 0 HG22 VAL B 375 -11.629 -4.705 2.723 1.00 1.07 H new ATOM 0 HG23 VAL B 375 -9.954 -5.032 2.218 1.00 1.07 H new ATOM 1643 N GLU B 376 -12.318 -2.038 -1.260 1.00 0.51 N ATOM 1644 CA GLU B 376 -12.422 -0.996 -2.250 1.00 0.63 C ATOM 1645 C GLU B 376 -12.814 0.327 -1.612 1.00 0.52 C ATOM 1646 O GLU B 376 -13.559 0.362 -0.629 1.00 0.61 O ATOM 1647 CB GLU B 376 -13.442 -1.391 -3.327 1.00 0.86 C ATOM 1648 CG GLU B 376 -14.839 -1.712 -2.798 1.00 1.43 C ATOM 1649 CD GLU B 376 -14.946 -3.085 -2.156 1.00 1.69 C ATOM 1650 OE1 GLU B 376 -14.629 -3.212 -0.955 1.00 2.28 O ATOM 1651 OE2 GLU B 376 -15.336 -4.047 -2.852 1.00 2.06 O ATOM 0 H GLU B 376 -13.209 -2.464 -1.007 1.00 0.51 H new ATOM 0 HA GLU B 376 -11.445 -0.869 -2.716 1.00 0.63 H new ATOM 0 HB2 GLU B 376 -13.520 -0.578 -4.049 1.00 0.86 H new ATOM 0 HB3 GLU B 376 -13.064 -2.260 -3.865 1.00 0.86 H new ATOM 0 HG2 GLU B 376 -15.124 -0.955 -2.067 1.00 1.43 H new ATOM 0 HG3 GLU B 376 -15.553 -1.647 -3.619 1.00 1.43 H new ATOM 1658 N ASN B 377 -12.288 1.409 -2.164 1.00 0.54 N ATOM 1659 CA ASN B 377 -12.664 2.744 -1.732 1.00 0.58 C ATOM 1660 C ASN B 377 -13.430 3.449 -2.834 1.00 0.50 C ATOM 1661 O ASN B 377 -13.436 2.995 -3.980 1.00 0.65 O ATOM 1662 CB ASN B 377 -11.439 3.575 -1.328 1.00 0.83 C ATOM 1663 CG ASN B 377 -10.342 3.663 -2.387 1.00 0.88 C ATOM 1664 OD1 ASN B 377 -9.169 3.774 -2.050 1.00 1.83 O ATOM 1665 ND2 ASN B 377 -10.702 3.629 -3.665 1.00 1.23 N ATOM 0 H ASN B 377 -11.597 1.387 -2.914 1.00 0.54 H new ATOM 0 HA ASN B 377 -13.301 2.643 -0.853 1.00 0.58 H new ATOM 0 HB2 ASN B 377 -11.768 4.585 -1.083 1.00 0.83 H new ATOM 0 HB3 ASN B 377 -11.013 3.149 -0.420 1.00 0.83 H new ATOM 0 HD21 ASN B 377 -9.994 3.696 -4.396 1.00 1.23 H new ATOM 0 HD22 ASN B 377 -11.686 3.536 -3.915 1.00 1.23 H new ATOM 1672 N GLU B 378 -14.054 4.563 -2.504 1.00 0.43 N ATOM 1673 CA GLU B 378 -14.848 5.287 -3.479 1.00 0.51 C ATOM 1674 C GLU B 378 -14.272 6.661 -3.772 1.00 0.44 C ATOM 1675 O GLU B 378 -14.979 7.563 -4.223 1.00 0.53 O ATOM 1676 CB GLU B 378 -16.292 5.386 -3.000 1.00 0.71 C ATOM 1677 CG GLU B 378 -16.962 4.029 -2.858 1.00 0.87 C ATOM 1678 CD GLU B 378 -18.283 4.098 -2.138 1.00 1.05 C ATOM 1679 OE1 GLU B 378 -18.286 3.966 -0.895 1.00 1.39 O ATOM 1680 OE2 GLU B 378 -19.323 4.261 -2.808 1.00 1.88 O ATOM 0 H GLU B 378 -14.028 4.985 -1.576 1.00 0.43 H new ATOM 0 HA GLU B 378 -14.824 4.731 -4.416 1.00 0.51 H new ATOM 0 HB2 GLU B 378 -16.316 5.900 -2.039 1.00 0.71 H new ATOM 0 HB3 GLU B 378 -16.861 5.995 -3.702 1.00 0.71 H new ATOM 0 HG2 GLU B 378 -17.116 3.601 -3.848 1.00 0.87 H new ATOM 0 HG3 GLU B 378 -16.296 3.355 -2.319 1.00 0.87 H new ATOM 1687 N ILE B 379 -12.980 6.811 -3.546 1.00 0.36 N ATOM 1688 CA ILE B 379 -12.290 8.025 -3.959 1.00 0.38 C ATOM 1689 C ILE B 379 -11.369 7.733 -5.135 1.00 0.48 C ATOM 1690 O ILE B 379 -10.441 8.486 -5.418 1.00 1.17 O ATOM 1691 CB ILE B 379 -11.486 8.684 -2.818 1.00 0.38 C ATOM 1692 CG1 ILE B 379 -10.443 7.715 -2.240 1.00 0.37 C ATOM 1693 CG2 ILE B 379 -12.426 9.188 -1.719 1.00 0.43 C ATOM 1694 CD1 ILE B 379 -9.770 8.232 -0.977 1.00 0.44 C ATOM 0 H ILE B 379 -12.391 6.118 -3.085 1.00 0.36 H new ATOM 0 HA ILE B 379 -13.063 8.734 -4.255 1.00 0.38 H new ATOM 0 HB ILE B 379 -10.952 9.538 -3.234 1.00 0.38 H new ATOM 0 HG12 ILE B 379 -10.925 6.762 -2.021 1.00 0.37 H new ATOM 0 HG13 ILE B 379 -9.681 7.521 -2.995 1.00 0.37 H new ATOM 0 HG21 ILE B 379 -11.841 9.649 -0.923 1.00 0.43 H new ATOM 0 HG22 ILE B 379 -13.113 9.923 -2.137 1.00 0.43 H new ATOM 0 HG23 ILE B 379 -12.993 8.350 -1.313 1.00 0.43 H new ATOM 0 HD11 ILE B 379 -9.046 7.498 -0.624 1.00 0.44 H new ATOM 0 HD12 ILE B 379 -9.259 9.170 -1.195 1.00 0.44 H new ATOM 0 HD13 ILE B 379 -10.522 8.399 -0.206 1.00 0.44 H new ATOM 1706 N TYR B 380 -11.653 6.638 -5.825 1.00 0.45 N ATOM 1707 CA TYR B 380 -10.920 6.282 -7.034 1.00 0.42 C ATOM 1708 C TYR B 380 -11.537 7.008 -8.223 1.00 0.46 C ATOM 1709 O TYR B 380 -12.634 6.668 -8.670 1.00 0.58 O ATOM 1710 CB TYR B 380 -10.939 4.763 -7.258 1.00 0.48 C ATOM 1711 CG TYR B 380 -10.187 4.315 -8.494 1.00 0.45 C ATOM 1712 CD1 TYR B 380 -8.831 4.579 -8.647 1.00 0.49 C ATOM 1713 CD2 TYR B 380 -10.834 3.613 -9.504 1.00 0.54 C ATOM 1714 CE1 TYR B 380 -8.144 4.159 -9.770 1.00 0.51 C ATOM 1715 CE2 TYR B 380 -10.155 3.192 -10.629 1.00 0.54 C ATOM 1716 CZ TYR B 380 -8.812 3.466 -10.758 1.00 0.47 C ATOM 1717 OH TYR B 380 -8.134 3.042 -11.875 1.00 0.52 O ATOM 0 H TYR B 380 -12.387 5.978 -5.569 1.00 0.45 H new ATOM 0 HA TYR B 380 -9.879 6.586 -6.924 1.00 0.42 H new ATOM 0 HB2 TYR B 380 -10.509 4.272 -6.385 1.00 0.48 H new ATOM 0 HB3 TYR B 380 -11.974 4.430 -7.334 1.00 0.48 H new ATOM 0 HD1 TYR B 380 -8.305 5.122 -7.875 1.00 0.49 H new ATOM 0 HD2 TYR B 380 -11.887 3.393 -9.407 1.00 0.54 H new ATOM 0 HE1 TYR B 380 -7.090 4.372 -9.874 1.00 0.51 H new ATOM 0 HE2 TYR B 380 -10.675 2.650 -11.405 1.00 0.54 H new ATOM 0 HH TYR B 380 -8.767 2.909 -12.611 1.00 0.52 H new ATOM 1727 N TYR B 381 -10.842 8.028 -8.698 1.00 0.55 N ATOM 1728 CA TYR B 381 -11.328 8.868 -9.765 1.00 0.70 C ATOM 1729 C TYR B 381 -11.000 8.269 -11.128 1.00 0.79 C ATOM 1730 O TYR B 381 -9.866 8.453 -11.610 1.00 1.31 O ATOM 1731 CB TYR B 381 -10.708 10.255 -9.615 1.00 1.01 C ATOM 1732 CG TYR B 381 -11.379 11.115 -8.565 1.00 1.28 C ATOM 1733 CD1 TYR B 381 -11.457 10.700 -7.242 1.00 1.73 C ATOM 1734 CD2 TYR B 381 -11.938 12.340 -8.898 1.00 1.66 C ATOM 1735 CE1 TYR B 381 -12.071 11.486 -6.284 1.00 2.35 C ATOM 1736 CE2 TYR B 381 -12.551 13.130 -7.948 1.00 2.20 C ATOM 1737 CZ TYR B 381 -12.608 12.690 -6.630 1.00 2.50 C ATOM 1738 OH TYR B 381 -13.228 13.485 -5.696 1.00 3.20 O ATOM 1739 OXT TYR B 381 -11.885 7.612 -11.715 1.00 1.47 O ATOM 0 H TYR B 381 -9.921 8.293 -8.349 1.00 0.55 H new ATOM 0 HA TYR B 381 -12.414 8.944 -9.702 1.00 0.70 H new ATOM 0 HB2 TYR B 381 -9.653 10.146 -9.362 1.00 1.01 H new ATOM 0 HB3 TYR B 381 -10.754 10.769 -10.575 1.00 1.01 H new ATOM 0 HD1 TYR B 381 -11.032 9.749 -6.957 1.00 1.73 H new ATOM 0 HD2 TYR B 381 -11.892 12.682 -9.921 1.00 1.66 H new ATOM 0 HE1 TYR B 381 -12.125 11.145 -5.261 1.00 2.35 H new ATOM 0 HE2 TYR B 381 -12.982 14.081 -8.225 1.00 2.20 H new ATOM 0 HH TYR B 381 -13.548 14.305 -6.126 1.00 3.20 H new