USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 976 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 145 THR OG1 : rot 24:sc= 0.524 USER MOD Set 1.2: A 147 HIS : no HD1:sc= -0.0427 X(o=0.48,f=0.27) USER MOD Set 2.1: A 5 SER OG : rot -88:sc= 1.69 USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.213 USER MOD Set 2.3: A 110 GLN : amide:sc= -0.603 X(o=1.3,f=0.91) USER MOD Set 2.4: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.5: A 131 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 75 THR OG1 : rot -50:sc= 0.229 USER MOD Set 3.2: A 77 HIS : no HD1:sc= 0 X(o=0.23,f=0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.64 (180deg=1.39) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= -0.13 (180deg=-0.265) USER MOD Single : A 32 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.39) USER MOD Single : A 33 TYR OH : rot 118:sc= -0.519 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -23:sc= 1.07 USER MOD Single : A 61 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.8) USER MOD Single : A 64 MET CE :methyl 161:sc= 0 (180deg=-0.565) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 162:sc= 0.724 USER MOD Single : A 91 SER OG : rot 80:sc= 0.627 USER MOD Single : A 96 THR OG1 : rot 179:sc= 1.16 USER MOD Single : A 98 TYR OH : rot 121:sc= 0.263 USER MOD Single : A 112 HIS : no HD1:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -70:sc= 0.106 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 54:sc= 1.26 USER MOD Single : A 153 GLN : amide:sc= 0.288 X(o=0.29,f=-0.022) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.308 -2.708 -12.800 1.00 0.00 N ATOM 2 CA MET A 1 -9.725 -2.516 -11.380 1.00 0.00 C ATOM 3 C MET A 1 -9.776 -3.786 -10.442 1.00 0.00 C ATOM 4 O MET A 1 -10.795 -4.020 -9.786 1.00 0.00 O ATOM 5 CB MET A 1 -11.010 -1.626 -11.405 1.00 0.00 C ATOM 6 CG MET A 1 -12.331 -2.243 -11.944 1.00 0.00 C ATOM 7 SD MET A 1 -12.549 -1.890 -13.704 1.00 0.00 S ATOM 8 CE MET A 1 -14.283 -2.354 -13.889 1.00 0.00 C ATOM 0 H1 MET A 1 -8.995 -1.799 -13.196 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.526 -3.392 -12.843 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.113 -3.067 -13.353 1.00 0.00 H new ATOM 0 HA MET A 1 -8.918 -2.006 -10.855 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.196 -1.284 -10.387 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.789 -0.742 -12.003 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.323 -3.321 -11.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.177 -1.845 -11.383 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.593 -2.200 -14.923 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.409 -3.404 -13.625 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.897 -1.739 -13.231 1.00 0.00 H new ATOM 20 N GLU A 2 -8.667 -4.546 -10.274 1.00 0.00 N ATOM 21 CA GLU A 2 -8.442 -5.377 -9.033 1.00 0.00 C ATOM 22 C GLU A 2 -7.698 -4.559 -7.898 1.00 0.00 C ATOM 23 O GLU A 2 -7.368 -3.381 -8.088 1.00 0.00 O ATOM 24 CB GLU A 2 -8.000 -6.839 -9.425 1.00 0.00 C ATOM 25 CG GLU A 2 -6.703 -7.495 -8.853 1.00 0.00 C ATOM 26 CD GLU A 2 -5.485 -7.621 -9.760 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.474 -8.441 -10.702 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.459 -6.981 -9.453 1.00 0.00 O ATOM 0 H GLU A 2 -7.916 -4.611 -10.962 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.363 -5.590 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.827 -7.498 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.909 -6.859 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.403 -6.923 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.963 -8.496 -8.508 1.00 0.00 H new ATOM 35 N LEU A 3 -7.545 -5.116 -6.678 1.00 0.00 N ATOM 36 CA LEU A 3 -6.999 -4.371 -5.500 1.00 0.00 C ATOM 37 C LEU A 3 -5.784 -5.073 -4.814 1.00 0.00 C ATOM 38 O LEU A 3 -5.872 -6.239 -4.415 1.00 0.00 O ATOM 39 CB LEU A 3 -8.167 -4.068 -4.513 1.00 0.00 C ATOM 40 CG LEU A 3 -8.649 -2.593 -4.543 1.00 0.00 C ATOM 41 CD1 LEU A 3 -9.990 -2.466 -3.823 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.653 -1.620 -3.881 1.00 0.00 C ATOM 0 H LEU A 3 -7.791 -6.084 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.579 -3.430 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.008 -4.720 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.847 -4.315 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.739 -2.323 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.320 -1.428 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.730 -3.095 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.878 -2.785 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.046 -0.605 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.510 -1.900 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.697 -1.666 -4.403 1.00 0.00 H new ATOM 54 N VAL A 4 -4.657 -4.349 -4.658 1.00 0.00 N ATOM 55 CA VAL A 4 -3.345 -4.966 -4.303 1.00 0.00 C ATOM 56 C VAL A 4 -2.562 -4.203 -3.164 1.00 0.00 C ATOM 57 O VAL A 4 -2.434 -2.978 -3.182 1.00 0.00 O ATOM 58 CB VAL A 4 -2.568 -5.212 -5.642 1.00 0.00 C ATOM 59 CG1 VAL A 4 -2.002 -3.974 -6.366 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.426 -6.214 -5.447 1.00 0.00 C ATOM 0 H VAL A 4 -4.620 -3.336 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.492 -5.932 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.352 -5.600 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.490 -4.287 -7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.818 -3.298 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.298 -3.460 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.907 -6.363 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.726 -5.828 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.831 -7.165 -5.102 1.00 0.00 H new ATOM 70 N SER A 5 -2.025 -4.913 -2.151 1.00 0.00 N ATOM 71 CA SER A 5 -1.505 -4.273 -0.893 1.00 0.00 C ATOM 72 C SER A 5 0.050 -4.050 -0.846 1.00 0.00 C ATOM 73 O SER A 5 0.806 -5.020 -0.906 1.00 0.00 O ATOM 74 CB SER A 5 -1.958 -5.165 0.292 1.00 0.00 C ATOM 75 OG SER A 5 -2.299 -4.355 1.413 1.00 0.00 O ATOM 0 H SER A 5 -1.934 -5.929 -2.165 1.00 0.00 H new ATOM 0 HA SER A 5 -1.918 -3.265 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.816 -5.769 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.160 -5.856 0.563 1.00 0.00 H new ATOM 0 HG SER A 5 -1.497 -4.187 1.951 1.00 0.00 H new ATOM 81 N VAL A 6 0.551 -2.807 -0.712 1.00 0.00 N ATOM 82 CA VAL A 6 1.989 -2.452 -1.000 1.00 0.00 C ATOM 83 C VAL A 6 2.701 -1.811 0.265 1.00 0.00 C ATOM 84 O VAL A 6 2.873 -0.596 0.398 1.00 0.00 O ATOM 85 CB VAL A 6 2.185 -1.772 -2.429 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.947 -1.682 -3.362 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.848 -0.377 -2.499 1.00 0.00 C ATOM 0 H VAL A 6 -0.010 -2.013 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 6 2.572 -3.362 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 6 2.883 -2.530 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.230 -1.197 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.576 -2.685 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.165 -1.100 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.908 -0.054 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.253 0.338 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.852 -0.430 -2.077 1.00 0.00 H new ATOM 97 N ALA A 7 3.164 -2.656 1.204 1.00 0.00 N ATOM 98 CA ALA A 7 3.929 -2.230 2.413 1.00 0.00 C ATOM 99 C ALA A 7 5.487 -2.339 2.261 1.00 0.00 C ATOM 100 O ALA A 7 5.988 -3.219 1.553 1.00 0.00 O ATOM 101 CB ALA A 7 3.407 -3.163 3.529 1.00 0.00 C ATOM 0 H ALA A 7 3.022 -3.665 1.154 1.00 0.00 H new ATOM 0 HA ALA A 7 3.771 -1.171 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.912 -2.928 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.333 -3.020 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.607 -4.200 3.259 1.00 0.00 H new ATOM 107 N ALA A 8 6.260 -1.480 2.953 1.00 0.00 N ATOM 108 CA ALA A 8 7.734 -1.669 3.111 1.00 0.00 C ATOM 109 C ALA A 8 8.095 -2.108 4.571 1.00 0.00 C ATOM 110 O ALA A 8 7.763 -1.415 5.537 1.00 0.00 O ATOM 111 CB ALA A 8 8.421 -0.344 2.724 1.00 0.00 C ATOM 0 H ALA A 8 5.898 -0.646 3.415 1.00 0.00 H new ATOM 0 HA ALA A 8 8.086 -2.469 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.501 -0.450 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.179 -0.097 1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.069 0.453 3.379 1.00 0.00 H new ATOM 117 N LEU A 9 8.768 -3.256 4.750 1.00 0.00 N ATOM 118 CA LEU A 9 9.186 -3.735 6.104 1.00 0.00 C ATOM 119 C LEU A 9 10.461 -3.012 6.681 1.00 0.00 C ATOM 120 O LEU A 9 11.276 -2.412 5.976 1.00 0.00 O ATOM 121 CB LEU A 9 9.402 -5.284 6.025 1.00 0.00 C ATOM 122 CG LEU A 9 8.208 -6.260 6.228 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.813 -6.414 7.708 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.959 -5.913 5.404 1.00 0.00 C ATOM 0 H LEU A 9 9.039 -3.876 3.987 1.00 0.00 H new ATOM 0 HA LEU A 9 8.390 -3.485 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.830 -5.499 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.158 -5.542 6.767 1.00 0.00 H new ATOM 0 HG LEU A 9 8.589 -7.211 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.975 -7.106 7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.661 -6.802 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.523 -5.443 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.176 -6.644 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.607 -4.919 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.207 -5.930 4.343 1.00 0.00 H new ATOM 136 N ALA A 10 10.649 -3.152 8.000 1.00 0.00 N ATOM 137 CA ALA A 10 11.998 -3.155 8.632 1.00 0.00 C ATOM 138 C ALA A 10 12.211 -4.570 9.299 1.00 0.00 C ATOM 139 O ALA A 10 11.911 -5.584 8.655 1.00 0.00 O ATOM 140 CB ALA A 10 11.989 -1.912 9.551 1.00 0.00 C ATOM 0 H ALA A 10 9.884 -3.266 8.665 1.00 0.00 H new ATOM 0 HA ALA A 10 12.861 -3.055 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.948 -1.831 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.820 -1.017 8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.192 -2.010 10.288 1.00 0.00 H new ATOM 400 N PRO A 27 16.746 3.035 -3.200 1.00 0.00 N ATOM 401 CA PRO A 27 16.291 2.982 -4.626 1.00 0.00 C ATOM 402 C PRO A 27 15.892 1.629 -5.313 1.00 0.00 C ATOM 403 O PRO A 27 15.273 1.672 -6.374 1.00 0.00 O ATOM 404 CB PRO A 27 17.495 3.642 -5.321 1.00 0.00 C ATOM 405 CG PRO A 27 17.991 4.675 -4.311 1.00 0.00 C ATOM 406 CD PRO A 27 17.901 3.930 -2.986 1.00 0.00 C ATOM 0 HA PRO A 27 15.310 3.451 -4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.269 2.911 -5.556 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.204 4.112 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.011 4.993 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.371 5.571 -4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.812 3.372 -2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.739 4.609 -2.149 1.00 0.00 H new ATOM 414 N ALA A 28 16.235 0.466 -4.734 1.00 0.00 N ATOM 415 CA ALA A 28 15.772 -0.870 -5.204 1.00 0.00 C ATOM 416 C ALA A 28 14.328 -1.294 -4.759 1.00 0.00 C ATOM 417 O ALA A 28 13.537 -1.683 -5.623 1.00 0.00 O ATOM 418 CB ALA A 28 16.867 -1.867 -4.785 1.00 0.00 C ATOM 0 H ALA A 28 16.846 0.416 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 28 15.645 -0.843 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.586 -2.871 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.811 -1.589 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.981 -1.848 -3.701 1.00 0.00 H new ATOM 424 N ASP A 29 13.946 -1.140 -3.469 1.00 0.00 N ATOM 425 CA ASP A 29 12.510 -1.035 -3.036 1.00 0.00 C ATOM 426 C ASP A 29 11.703 0.007 -3.876 1.00 0.00 C ATOM 427 O ASP A 29 10.815 -0.379 -4.639 1.00 0.00 O ATOM 428 CB ASP A 29 12.426 -0.740 -1.510 1.00 0.00 C ATOM 429 CG ASP A 29 11.014 -0.685 -0.915 1.00 0.00 C ATOM 430 OD1 ASP A 29 10.247 0.251 -1.232 1.00 0.00 O ATOM 431 OD2 ASP A 29 10.678 -1.560 -0.100 1.00 0.00 O ATOM 0 H ASP A 29 14.609 -1.084 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 29 12.038 -1.999 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.993 -1.505 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.918 0.213 -1.316 1.00 0.00 H new ATOM 436 N LYS A 30 12.104 1.292 -3.866 1.00 0.00 N ATOM 437 CA LYS A 30 11.515 2.318 -4.781 1.00 0.00 C ATOM 438 C LYS A 30 11.865 2.149 -6.329 1.00 0.00 C ATOM 439 O LYS A 30 11.546 3.031 -7.133 1.00 0.00 O ATOM 440 CB LYS A 30 11.715 3.737 -4.144 1.00 0.00 C ATOM 441 CG LYS A 30 11.309 3.954 -2.641 1.00 0.00 C ATOM 442 CD LYS A 30 9.812 3.762 -2.248 1.00 0.00 C ATOM 443 CE LYS A 30 9.545 3.273 -0.798 1.00 0.00 C ATOM 444 NZ LYS A 30 9.332 4.403 0.163 1.00 0.00 N ATOM 0 H LYS A 30 12.827 1.654 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 30 10.440 2.154 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.769 3.998 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.152 4.451 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.903 3.271 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.600 4.966 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.295 4.711 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.364 3.048 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.667 2.627 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.388 2.669 -0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.158 4.021 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.178 5.007 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.511 4.966 -0.139 1.00 0.00 H new ATOM 458 N LYS A 31 12.372 0.971 -6.784 1.00 0.00 N ATOM 459 CA LYS A 31 12.118 0.434 -8.150 1.00 0.00 C ATOM 460 C LYS A 31 10.861 -0.470 -8.306 1.00 0.00 C ATOM 461 O LYS A 31 10.157 -0.254 -9.291 1.00 0.00 O ATOM 462 CB LYS A 31 13.334 -0.278 -8.819 1.00 0.00 C ATOM 463 CG LYS A 31 14.476 0.593 -9.395 1.00 0.00 C ATOM 464 CD LYS A 31 14.099 1.915 -10.108 1.00 0.00 C ATOM 465 CE LYS A 31 13.300 1.820 -11.432 1.00 0.00 C ATOM 466 NZ LYS A 31 11.810 1.845 -11.238 1.00 0.00 N ATOM 0 H LYS A 31 12.967 0.368 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 31 11.922 1.364 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.771 -0.951 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.950 -0.899 -9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.154 0.837 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.037 -0.018 -10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.519 2.518 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.021 2.460 -10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.588 2.648 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.576 0.900 -11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.341 1.932 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.505 0.964 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.551 2.656 -10.641 1.00 0.00 H new ATOM 480 N GLN A 32 10.600 -1.476 -7.452 1.00 0.00 N ATOM 481 CA GLN A 32 9.332 -2.268 -7.503 1.00 0.00 C ATOM 482 C GLN A 32 8.080 -1.529 -6.926 1.00 0.00 C ATOM 483 O GLN A 32 7.034 -1.464 -7.577 1.00 0.00 O ATOM 484 CB GLN A 32 9.609 -3.647 -6.847 1.00 0.00 C ATOM 485 CG GLN A 32 8.522 -4.736 -7.063 1.00 0.00 C ATOM 486 CD GLN A 32 8.255 -5.183 -8.513 1.00 0.00 C ATOM 487 OE1 GLN A 32 7.715 -4.445 -9.328 1.00 0.00 O ATOM 488 NE2 GLN A 32 8.606 -6.384 -8.899 1.00 0.00 N ATOM 0 H GLN A 32 11.242 -1.769 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 32 9.047 -2.411 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.556 -4.026 -7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.737 -3.498 -5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.805 -5.616 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.586 -4.367 -6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.057 -7.020 -8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.428 -6.684 -9.857 1.00 0.00 H new ATOM 497 N TYR A 33 8.215 -0.885 -5.760 1.00 0.00 N ATOM 498 CA TYR A 33 7.254 0.125 -5.235 1.00 0.00 C ATOM 499 C TYR A 33 6.892 1.324 -6.208 1.00 0.00 C ATOM 500 O TYR A 33 5.745 1.767 -6.194 1.00 0.00 O ATOM 501 CB TYR A 33 7.892 0.613 -3.900 1.00 0.00 C ATOM 502 CG TYR A 33 6.965 0.946 -2.722 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.269 2.161 -2.644 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.904 0.054 -1.648 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.513 2.457 -1.509 1.00 0.00 C ATOM 506 CE2 TYR A 33 6.161 0.356 -0.516 1.00 0.00 C ATOM 507 CZ TYR A 33 5.458 1.557 -0.447 1.00 0.00 C ATOM 508 OH TYR A 33 4.699 1.818 0.661 1.00 0.00 O ATOM 0 H TYR A 33 9.005 -1.046 -5.135 1.00 0.00 H new ATOM 0 HA TYR A 33 6.276 -0.338 -5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.589 -0.155 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.481 1.504 -4.120 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.318 2.866 -3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.441 -0.881 -1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.968 3.388 -1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.128 -0.339 0.310 1.00 0.00 H new ATOM 0 HH TYR A 33 4.006 1.131 0.752 1.00 0.00 H new ATOM 518 N ARG A 34 7.819 1.812 -7.077 1.00 0.00 N ATOM 519 CA ARG A 34 7.454 2.643 -8.281 1.00 0.00 C ATOM 520 C ARG A 34 7.715 1.928 -9.677 1.00 0.00 C ATOM 521 O ARG A 34 8.194 2.532 -10.643 1.00 0.00 O ATOM 522 CB ARG A 34 8.107 4.065 -8.144 1.00 0.00 C ATOM 523 CG ARG A 34 7.280 5.243 -8.755 1.00 0.00 C ATOM 524 CD ARG A 34 8.038 6.582 -8.976 1.00 0.00 C ATOM 525 NE ARG A 34 7.241 7.852 -8.863 1.00 0.00 N ATOM 526 CZ ARG A 34 6.416 8.373 -9.769 1.00 0.00 C ATOM 527 NH1 ARG A 34 5.972 7.713 -10.809 1.00 0.00 N ATOM 528 NH2 ARG A 34 6.014 9.602 -9.584 1.00 0.00 N ATOM 0 H ARG A 34 8.821 1.651 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 34 6.371 2.769 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.273 4.270 -7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.086 4.044 -8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.878 4.916 -9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.429 5.437 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.854 6.631 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.490 6.554 -9.968 1.00 0.00 H new ATOM 0 HE ARG A 34 7.344 8.374 -7.993 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.257 6.745 -10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.341 8.167 -11.470 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.333 10.126 -8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.382 10.038 -10.255 1.00 0.00 H new ATOM 542 N SER A 35 7.370 0.632 -9.788 1.00 0.00 N ATOM 543 CA SER A 35 7.011 -0.062 -11.067 1.00 0.00 C ATOM 544 C SER A 35 5.625 -0.798 -10.998 1.00 0.00 C ATOM 545 O SER A 35 4.967 -0.898 -12.036 1.00 0.00 O ATOM 546 CB SER A 35 8.115 -1.042 -11.533 1.00 0.00 C ATOM 547 OG SER A 35 7.902 -1.456 -12.887 1.00 0.00 O ATOM 0 H SER A 35 7.328 0.012 -8.979 1.00 0.00 H new ATOM 0 HA SER A 35 6.924 0.732 -11.808 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.090 -0.563 -11.445 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.129 -1.915 -10.881 1.00 0.00 H new ATOM 0 HG SER A 35 8.614 -2.073 -13.156 1.00 0.00 H new ATOM 553 N ARG A 36 5.134 -1.260 -9.819 1.00 0.00 N ATOM 554 CA ARG A 36 3.670 -1.279 -9.528 1.00 0.00 C ATOM 555 C ARG A 36 3.048 0.153 -9.589 1.00 0.00 C ATOM 556 O ARG A 36 2.283 0.415 -10.515 1.00 0.00 O ATOM 557 CB ARG A 36 3.395 -2.033 -8.182 1.00 0.00 C ATOM 558 CG ARG A 36 3.021 -3.529 -8.346 1.00 0.00 C ATOM 559 CD ARG A 36 1.535 -3.766 -8.680 1.00 0.00 C ATOM 560 NE ARG A 36 1.391 -5.205 -9.054 1.00 0.00 N ATOM 561 CZ ARG A 36 0.989 -5.667 -10.229 1.00 0.00 C ATOM 562 NH1 ARG A 36 0.368 -4.940 -11.126 1.00 0.00 N ATOM 563 NH2 ARG A 36 1.233 -6.912 -10.492 1.00 0.00 N ATOM 0 H ARG A 36 5.717 -1.620 -9.063 1.00 0.00 H new ATOM 0 HA ARG A 36 3.160 -1.840 -10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.282 -1.960 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.587 -1.526 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.635 -3.963 -9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.266 -4.058 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.905 -3.526 -7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.217 -3.122 -9.500 1.00 0.00 H new ATOM 0 HE ARG A 36 1.623 -5.895 -8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.168 -3.958 -10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.084 -5.357 -12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.716 -7.493 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.942 -7.311 -11.384 1.00 0.00 H new ATOM 577 N VAL A 37 3.437 1.089 -8.700 1.00 0.00 N ATOM 578 CA VAL A 37 2.945 2.505 -8.747 1.00 0.00 C ATOM 579 C VAL A 37 3.716 3.340 -9.841 1.00 0.00 C ATOM 580 O VAL A 37 4.587 4.158 -9.540 1.00 0.00 O ATOM 581 CB VAL A 37 2.968 3.162 -7.314 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.127 4.455 -7.292 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.465 2.298 -6.127 1.00 0.00 C ATOM 0 H VAL A 37 4.089 0.903 -7.938 1.00 0.00 H new ATOM 0 HA VAL A 37 1.900 2.503 -9.057 1.00 0.00 H new ATOM 0 HB VAL A 37 4.034 3.325 -7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.157 4.892 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.534 5.166 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.095 4.222 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.536 2.872 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.427 2.013 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.079 1.401 -6.044 1.00 0.00 H new ATOM 593 N ALA A 38 3.417 3.094 -11.127 1.00 0.00 N ATOM 594 CA ALA A 38 4.080 3.764 -12.277 1.00 0.00 C ATOM 595 C ALA A 38 3.305 5.036 -12.759 1.00 0.00 C ATOM 596 O ALA A 38 3.742 6.155 -12.471 1.00 0.00 O ATOM 597 CB ALA A 38 4.347 2.682 -13.351 1.00 0.00 C ATOM 0 H ALA A 38 2.704 2.421 -11.409 1.00 0.00 H new ATOM 0 HA ALA A 38 5.043 4.187 -11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.834 3.137 -14.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.993 1.909 -12.936 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.402 2.237 -13.662 1.00 0.00 H new ATOM 603 N ASP A 39 2.175 4.857 -13.466 1.00 0.00 N ATOM 604 CA ASP A 39 1.299 5.977 -13.925 1.00 0.00 C ATOM 605 C ASP A 39 -0.239 5.615 -13.776 1.00 0.00 C ATOM 606 O ASP A 39 -1.028 5.786 -14.706 1.00 0.00 O ATOM 607 CB ASP A 39 1.767 6.382 -15.365 1.00 0.00 C ATOM 608 CG ASP A 39 1.784 7.875 -15.693 1.00 0.00 C ATOM 609 OD1 ASP A 39 1.315 8.708 -14.888 1.00 0.00 O ATOM 610 OD2 ASP A 39 2.327 8.224 -16.765 1.00 0.00 O ATOM 0 H ASP A 39 1.834 3.936 -13.741 1.00 0.00 H new ATOM 0 HA ASP A 39 1.402 6.858 -13.291 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.772 5.990 -15.518 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.118 5.884 -16.085 1.00 0.00 H new ATOM 615 N ASP A 40 -0.680 5.125 -12.591 1.00 0.00 N ATOM 616 CA ASP A 40 -2.090 4.658 -12.346 1.00 0.00 C ATOM 617 C ASP A 40 -2.583 4.950 -10.852 1.00 0.00 C ATOM 618 O ASP A 40 -1.763 5.355 -10.014 1.00 0.00 O ATOM 619 CB ASP A 40 -2.176 3.148 -12.757 1.00 0.00 C ATOM 620 CG ASP A 40 -3.375 2.676 -13.585 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.075 3.491 -14.221 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.651 1.460 -13.558 1.00 0.00 O ATOM 0 H ASP A 40 -0.078 5.038 -11.772 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.785 5.228 -12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.273 2.906 -13.317 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.152 2.555 -11.843 1.00 0.00 H new ATOM 627 N PRO A 41 -3.887 4.794 -10.443 1.00 0.00 N ATOM 628 CA PRO A 41 -4.406 5.271 -9.128 1.00 0.00 C ATOM 629 C PRO A 41 -3.834 4.654 -7.810 1.00 0.00 C ATOM 630 O PRO A 41 -3.791 3.435 -7.619 1.00 0.00 O ATOM 631 CB PRO A 41 -5.921 5.000 -9.248 1.00 0.00 C ATOM 632 CG PRO A 41 -6.233 4.971 -10.742 1.00 0.00 C ATOM 633 CD PRO A 41 -4.974 4.364 -11.340 1.00 0.00 C ATOM 0 HA PRO A 41 -4.094 6.307 -8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.185 4.053 -8.777 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.496 5.778 -8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.115 4.368 -10.959 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.426 5.970 -11.134 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.042 3.277 -11.386 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.810 4.717 -12.358 1.00 0.00 H new ATOM 641 N VAL A 42 -3.461 5.525 -6.863 1.00 0.00 N ATOM 642 CA VAL A 42 -2.706 5.143 -5.632 1.00 0.00 C ATOM 643 C VAL A 42 -3.535 5.414 -4.322 1.00 0.00 C ATOM 644 O VAL A 42 -3.735 6.561 -3.916 1.00 0.00 O ATOM 645 CB VAL A 42 -1.272 5.790 -5.689 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.206 7.334 -5.815 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.380 5.375 -4.500 1.00 0.00 C ATOM 0 H VAL A 42 -3.669 6.522 -6.917 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.550 4.065 -5.596 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.896 5.381 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.164 7.652 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.706 7.646 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.701 7.790 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.596 5.852 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.849 5.688 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.256 4.292 -4.499 1.00 0.00 H new ATOM 657 N VAL A 43 -3.981 4.351 -3.633 1.00 0.00 N ATOM 658 CA VAL A 43 -4.722 4.441 -2.335 1.00 0.00 C ATOM 659 C VAL A 43 -3.736 4.612 -1.125 1.00 0.00 C ATOM 660 O VAL A 43 -3.009 3.689 -0.753 1.00 0.00 O ATOM 661 CB VAL A 43 -5.701 3.221 -2.177 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.513 3.273 -0.856 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.723 3.025 -3.324 1.00 0.00 C ATOM 0 H VAL A 43 -3.844 3.392 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.340 5.339 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.009 2.379 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.172 2.407 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.829 3.264 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.109 4.185 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.346 2.156 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.352 3.911 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.191 2.869 -4.263 1.00 0.00 H new ATOM 673 N LEU A 44 -3.735 5.782 -0.472 1.00 0.00 N ATOM 674 CA LEU A 44 -2.870 6.056 0.712 1.00 0.00 C ATOM 675 C LEU A 44 -3.585 6.921 1.806 1.00 0.00 C ATOM 676 O LEU A 44 -4.686 7.449 1.617 1.00 0.00 O ATOM 677 CB LEU A 44 -1.474 6.547 0.222 1.00 0.00 C ATOM 678 CG LEU A 44 -1.351 7.866 -0.585 1.00 0.00 C ATOM 679 CD1 LEU A 44 -1.642 9.120 0.256 1.00 0.00 C ATOM 680 CD2 LEU A 44 0.060 7.967 -1.185 1.00 0.00 C ATOM 0 H LEU A 44 -4.326 6.570 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.681 5.136 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.839 6.646 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.048 5.752 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.106 7.830 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.539 10.008 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.658 9.068 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.936 9.174 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.149 8.893 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.798 7.961 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.236 7.118 -1.846 1.00 0.00 H new ATOM 692 N GLY A 45 -2.974 7.057 2.997 1.00 0.00 N ATOM 693 CA GLY A 45 -3.567 7.850 4.114 1.00 0.00 C ATOM 694 C GLY A 45 -3.028 9.282 4.269 1.00 0.00 C ATOM 695 O GLY A 45 -1.881 9.578 3.932 1.00 0.00 O ATOM 0 H GLY A 45 -2.073 6.634 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.646 7.901 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.397 7.313 5.047 1.00 0.00 H new ATOM 699 N ARG A 46 -3.842 10.167 4.863 1.00 0.00 N ATOM 700 CA ARG A 46 -3.475 11.614 5.031 1.00 0.00 C ATOM 701 C ARG A 46 -2.178 12.067 5.818 1.00 0.00 C ATOM 702 O ARG A 46 -1.953 13.275 5.908 1.00 0.00 O ATOM 703 CB ARG A 46 -4.760 12.389 5.473 1.00 0.00 C ATOM 704 CG ARG A 46 -5.425 12.047 6.839 1.00 0.00 C ATOM 705 CD ARG A 46 -4.713 12.631 8.077 1.00 0.00 C ATOM 706 NE ARG A 46 -5.250 12.077 9.357 1.00 0.00 N ATOM 707 CZ ARG A 46 -4.691 11.095 10.066 1.00 0.00 C ATOM 708 NH1 ARG A 46 -3.725 10.333 9.630 1.00 0.00 N ATOM 709 NH2 ARG A 46 -5.135 10.881 11.263 1.00 0.00 N ATOM 0 H ARG A 46 -4.759 9.925 5.239 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.109 11.884 4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.514 13.451 5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.512 12.245 4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.453 12.409 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.470 10.963 6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.646 12.420 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.824 13.715 8.079 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.114 12.483 9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.351 10.471 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.344 9.600 10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.890 11.456 11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.730 10.138 11.832 1.00 0.00 H new ATOM 723 N THR A 47 -1.358 11.168 6.390 1.00 0.00 N ATOM 724 CA THR A 47 0.025 11.512 6.892 1.00 0.00 C ATOM 725 C THR A 47 1.134 11.509 5.791 1.00 0.00 C ATOM 726 O THR A 47 1.750 12.544 5.554 1.00 0.00 O ATOM 727 CB THR A 47 0.456 10.588 8.076 1.00 0.00 C ATOM 728 OG1 THR A 47 0.348 9.205 7.730 1.00 0.00 O ATOM 729 CG2 THR A 47 -0.296 10.847 9.390 1.00 0.00 C ATOM 0 H THR A 47 -1.611 10.189 6.526 1.00 0.00 H new ATOM 0 HA THR A 47 -0.063 12.541 7.242 1.00 0.00 H new ATOM 0 HB THR A 47 1.500 10.845 8.255 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.627 8.655 8.491 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.066 10.162 10.157 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.125 11.875 9.711 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.363 10.688 9.236 1.00 0.00 H new ATOM 737 N THR A 48 1.385 10.368 5.125 1.00 0.00 N ATOM 738 CA THR A 48 2.305 10.276 3.937 1.00 0.00 C ATOM 739 C THR A 48 1.934 11.164 2.694 1.00 0.00 C ATOM 740 O THR A 48 2.820 11.687 2.018 1.00 0.00 O ATOM 741 CB THR A 48 2.510 8.755 3.628 1.00 0.00 C ATOM 742 OG1 THR A 48 3.384 8.572 2.523 1.00 0.00 O ATOM 743 CG2 THR A 48 1.280 7.936 3.224 1.00 0.00 C ATOM 0 H THR A 48 0.965 9.475 5.381 1.00 0.00 H new ATOM 0 HA THR A 48 3.257 10.735 4.202 1.00 0.00 H new ATOM 0 HB THR A 48 2.874 8.403 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.497 7.614 2.351 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.575 6.903 3.042 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.543 7.967 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.846 8.355 2.316 1.00 0.00 H new ATOM 751 N PHE A 49 0.636 11.455 2.474 1.00 0.00 N ATOM 752 CA PHE A 49 0.183 12.648 1.693 1.00 0.00 C ATOM 753 C PHE A 49 0.830 14.051 2.027 1.00 0.00 C ATOM 754 O PHE A 49 0.794 14.918 1.152 1.00 0.00 O ATOM 755 CB PHE A 49 -1.374 12.675 1.781 1.00 0.00 C ATOM 756 CG PHE A 49 -2.086 13.727 0.898 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.325 15.008 1.408 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.450 13.440 -0.421 1.00 0.00 C ATOM 759 CE1 PHE A 49 -2.911 15.990 0.608 1.00 0.00 C ATOM 760 CE2 PHE A 49 -3.055 14.418 -1.213 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.278 15.689 -0.699 1.00 0.00 C ATOM 0 H PHE A 49 -0.131 10.881 2.825 1.00 0.00 H new ATOM 0 HA PHE A 49 0.551 12.510 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.750 11.688 1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.656 12.850 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.054 15.238 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.262 12.458 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.079 16.981 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.350 14.186 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.738 16.446 -1.317 1.00 0.00 H new ATOM 771 N GLU A 50 1.379 14.340 3.229 1.00 0.00 N ATOM 772 CA GLU A 50 2.192 15.577 3.456 1.00 0.00 C ATOM 773 C GLU A 50 3.652 15.655 2.912 1.00 0.00 C ATOM 774 O GLU A 50 4.118 16.750 2.574 1.00 0.00 O ATOM 775 CB GLU A 50 1.881 16.155 4.862 1.00 0.00 C ATOM 776 CG GLU A 50 2.753 16.416 6.123 1.00 0.00 C ATOM 777 CD GLU A 50 1.878 17.282 7.047 1.00 0.00 C ATOM 778 OE1 GLU A 50 1.604 18.455 6.674 1.00 0.00 O ATOM 779 OE2 GLU A 50 1.319 16.757 8.030 1.00 0.00 O ATOM 0 H GLU A 50 1.281 13.747 4.053 1.00 0.00 H new ATOM 0 HA GLU A 50 1.844 16.305 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.440 17.129 4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.079 15.516 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.033 15.481 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.679 16.929 5.862 1.00 0.00 H new ATOM 786 N SER A 51 4.300 14.502 2.709 1.00 0.00 N ATOM 787 CA SER A 51 5.352 14.322 1.666 1.00 0.00 C ATOM 788 C SER A 51 4.844 14.283 0.179 1.00 0.00 C ATOM 789 O SER A 51 5.437 14.965 -0.659 1.00 0.00 O ATOM 790 CB SER A 51 6.099 13.041 2.073 1.00 0.00 C ATOM 791 OG SER A 51 7.111 12.649 1.154 1.00 0.00 O ATOM 0 H SER A 51 4.120 13.660 3.256 1.00 0.00 H new ATOM 0 HA SER A 51 5.998 15.200 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.550 13.191 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.379 12.229 2.174 1.00 0.00 H new ATOM 0 HG SER A 51 7.545 11.831 1.475 1.00 0.00 H new ATOM 797 N MET A 52 3.743 13.573 -0.168 1.00 0.00 N ATOM 798 CA MET A 52 3.150 13.606 -1.550 1.00 0.00 C ATOM 799 C MET A 52 2.285 14.901 -1.843 1.00 0.00 C ATOM 800 O MET A 52 1.092 14.856 -2.175 1.00 0.00 O ATOM 801 CB MET A 52 2.334 12.311 -1.850 1.00 0.00 C ATOM 802 CG MET A 52 2.868 10.926 -1.426 1.00 0.00 C ATOM 803 SD MET A 52 4.533 10.630 -2.049 1.00 0.00 S ATOM 804 CE MET A 52 4.884 9.080 -1.195 1.00 0.00 C ATOM 0 H MET A 52 3.240 12.968 0.481 1.00 0.00 H new ATOM 0 HA MET A 52 3.999 13.650 -2.232 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.356 12.434 -1.385 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.173 12.276 -2.927 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.869 10.854 -0.338 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.198 10.150 -1.796 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.884 8.737 -1.460 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.828 9.237 -0.118 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.152 8.328 -1.491 1.00 0.00 H new ATOM 814 N ARG A 53 2.930 16.072 -1.733 1.00 0.00 N ATOM 815 CA ARG A 53 2.432 17.367 -2.286 1.00 0.00 C ATOM 816 C ARG A 53 3.240 17.883 -3.540 1.00 0.00 C ATOM 817 O ARG A 53 2.645 18.621 -4.328 1.00 0.00 O ATOM 818 CB ARG A 53 2.382 18.443 -1.157 1.00 0.00 C ATOM 819 CG ARG A 53 1.350 18.228 -0.013 1.00 0.00 C ATOM 820 CD ARG A 53 1.439 19.336 1.061 1.00 0.00 C ATOM 821 NE ARG A 53 0.496 19.086 2.200 1.00 0.00 N ATOM 822 CZ ARG A 53 0.788 19.210 3.497 1.00 0.00 C ATOM 823 NH1 ARG A 53 1.939 19.605 3.956 1.00 0.00 N ATOM 824 NH2 ARG A 53 -0.086 18.837 4.381 1.00 0.00 N ATOM 0 H ARG A 53 3.826 16.161 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 53 1.424 17.182 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.374 18.509 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.177 19.408 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.344 18.208 -0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.521 17.257 0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.459 19.393 1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.213 20.301 0.607 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.453 18.795 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.691 19.844 3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.090 19.676 4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.983 18.455 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.124 18.926 5.375 1.00 0.00 H new ATOM 838 N ASP A 54 4.534 17.538 -3.733 1.00 0.00 N ATOM 839 CA ASP A 54 5.344 17.938 -4.924 1.00 0.00 C ATOM 840 C ASP A 54 5.145 16.974 -6.161 1.00 0.00 C ATOM 841 O ASP A 54 4.519 17.386 -7.145 1.00 0.00 O ATOM 842 CB ASP A 54 6.829 18.113 -4.472 1.00 0.00 C ATOM 843 CG ASP A 54 7.201 19.540 -4.059 1.00 0.00 C ATOM 844 OD1 ASP A 54 6.986 19.908 -2.883 1.00 0.00 O ATOM 845 OD2 ASP A 54 7.721 20.297 -4.912 1.00 0.00 O ATOM 0 H ASP A 54 5.056 16.970 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 54 4.990 18.896 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.022 17.443 -3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.483 17.801 -5.286 1.00 0.00 H new ATOM 850 N ASP A 55 5.626 15.706 -6.130 1.00 0.00 N ATOM 851 CA ASP A 55 5.217 14.646 -7.107 1.00 0.00 C ATOM 852 C ASP A 55 4.024 13.780 -6.563 1.00 0.00 C ATOM 853 O ASP A 55 3.967 13.361 -5.399 1.00 0.00 O ATOM 854 CB ASP A 55 6.434 13.835 -7.677 1.00 0.00 C ATOM 855 CG ASP A 55 6.916 12.518 -7.038 1.00 0.00 C ATOM 856 OD1 ASP A 55 6.827 12.341 -5.808 1.00 0.00 O ATOM 857 OD2 ASP A 55 7.392 11.633 -7.793 1.00 0.00 O ATOM 0 H ASP A 55 6.302 15.384 -5.437 1.00 0.00 H new ATOM 0 HA ASP A 55 4.816 15.146 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.201 13.611 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.288 14.512 -7.680 1.00 0.00 H new ATOM 862 N LEU A 56 3.060 13.479 -7.444 1.00 0.00 N ATOM 863 CA LEU A 56 2.087 12.384 -7.206 1.00 0.00 C ATOM 864 C LEU A 56 2.722 11.031 -7.711 1.00 0.00 C ATOM 865 O LEU A 56 3.119 10.964 -8.885 1.00 0.00 O ATOM 866 CB LEU A 56 0.705 12.659 -7.871 1.00 0.00 C ATOM 867 CG LEU A 56 -0.117 13.937 -7.521 1.00 0.00 C ATOM 868 CD1 LEU A 56 -0.053 14.371 -6.042 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.245 15.117 -8.442 1.00 0.00 C ATOM 0 H LEU A 56 2.927 13.972 -8.327 1.00 0.00 H new ATOM 0 HA LEU A 56 1.885 12.317 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.866 12.669 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.069 11.801 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.152 13.643 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.656 15.268 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.439 13.570 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.981 14.582 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.349 15.989 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.304 15.351 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.036 14.848 -9.477 1.00 0.00 H new ATOM 881 N PRO A 57 2.824 9.928 -6.908 1.00 0.00 N ATOM 882 CA PRO A 57 3.366 8.627 -7.405 1.00 0.00 C ATOM 883 C PRO A 57 2.809 7.991 -8.728 1.00 0.00 C ATOM 884 O PRO A 57 3.562 7.417 -9.504 1.00 0.00 O ATOM 885 CB PRO A 57 3.197 7.740 -6.163 1.00 0.00 C ATOM 886 CG PRO A 57 3.335 8.688 -4.969 1.00 0.00 C ATOM 887 CD PRO A 57 2.701 9.993 -5.437 1.00 0.00 C ATOM 0 HA PRO A 57 4.383 8.765 -7.772 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.226 7.245 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.954 6.957 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.826 8.294 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.380 8.831 -4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.660 10.068 -5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.220 10.860 -5.029 1.00 0.00 H new ATOM 895 N GLY A 58 1.515 8.110 -9.002 1.00 0.00 N ATOM 896 CA GLY A 58 0.948 7.899 -10.365 1.00 0.00 C ATOM 897 C GLY A 58 -0.317 8.756 -10.632 1.00 0.00 C ATOM 898 O GLY A 58 -0.619 9.729 -9.930 1.00 0.00 O ATOM 0 H GLY A 58 0.816 8.354 -8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.707 8.139 -11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.700 6.845 -10.491 1.00 0.00 H new ATOM 902 N SER A 59 -1.066 8.387 -11.675 1.00 0.00 N ATOM 903 CA SER A 59 -2.144 9.245 -12.250 1.00 0.00 C ATOM 904 C SER A 59 -3.578 9.243 -11.584 1.00 0.00 C ATOM 905 O SER A 59 -4.548 9.644 -12.232 1.00 0.00 O ATOM 906 CB SER A 59 -2.143 8.921 -13.769 1.00 0.00 C ATOM 907 OG SER A 59 -3.112 9.701 -14.473 1.00 0.00 O ATOM 0 H SER A 59 -0.955 7.493 -12.153 1.00 0.00 H new ATOM 0 HA SER A 59 -1.900 10.283 -12.023 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.152 9.111 -14.182 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.351 7.861 -13.916 1.00 0.00 H new ATOM 0 HG SER A 59 -3.809 9.997 -13.850 1.00 0.00 H new ATOM 913 N ALA A 60 -3.730 8.925 -10.281 1.00 0.00 N ATOM 914 CA ALA A 60 -4.854 9.442 -9.443 1.00 0.00 C ATOM 915 C ALA A 60 -4.549 9.312 -7.914 1.00 0.00 C ATOM 916 O ALA A 60 -4.502 8.207 -7.370 1.00 0.00 O ATOM 917 CB ALA A 60 -6.202 8.781 -9.799 1.00 0.00 C ATOM 0 H ALA A 60 -3.090 8.311 -9.777 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.945 10.504 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.987 9.190 -9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.441 8.981 -10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.132 7.705 -9.642 1.00 0.00 H new ATOM 923 N GLN A 61 -4.382 10.436 -7.196 1.00 0.00 N ATOM 924 CA GLN A 61 -4.063 10.426 -5.736 1.00 0.00 C ATOM 925 C GLN A 61 -5.328 10.165 -4.839 1.00 0.00 C ATOM 926 O GLN A 61 -6.103 11.083 -4.539 1.00 0.00 O ATOM 927 CB GLN A 61 -3.318 11.774 -5.489 1.00 0.00 C ATOM 928 CG GLN A 61 -2.860 12.096 -4.042 1.00 0.00 C ATOM 929 CD GLN A 61 -1.974 11.058 -3.354 1.00 0.00 C ATOM 930 OE1 GLN A 61 -2.458 10.105 -2.760 1.00 0.00 O ATOM 931 NE2 GLN A 61 -0.680 11.211 -3.370 1.00 0.00 N ATOM 0 H GLN A 61 -4.461 11.372 -7.594 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.424 9.593 -5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.437 11.791 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.970 12.582 -5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.323 13.044 -4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.749 12.244 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.266 12.002 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.081 10.539 -2.890 1.00 0.00 H new ATOM 940 N ILE A 62 -5.544 8.897 -4.441 1.00 0.00 N ATOM 941 CA ILE A 62 -6.706 8.469 -3.606 1.00 0.00 C ATOM 942 C ILE A 62 -6.289 8.607 -2.093 1.00 0.00 C ATOM 943 O ILE A 62 -5.441 7.864 -1.598 1.00 0.00 O ATOM 944 CB ILE A 62 -7.245 7.040 -4.009 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.704 6.930 -5.497 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.405 6.586 -3.077 1.00 0.00 C ATOM 947 CD1 ILE A 62 -8.006 5.505 -6.016 1.00 0.00 C ATOM 0 H ILE A 62 -4.919 8.129 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.564 9.118 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.389 6.376 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.600 7.538 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.930 7.367 -6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.752 5.599 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.049 6.543 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.228 7.298 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.315 5.556 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.110 4.890 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.806 5.063 -5.422 1.00 0.00 H new ATOM 959 N VAL A 63 -6.890 9.557 -1.355 1.00 0.00 N ATOM 960 CA VAL A 63 -6.411 9.971 0.004 1.00 0.00 C ATOM 961 C VAL A 63 -7.491 9.733 1.124 1.00 0.00 C ATOM 962 O VAL A 63 -8.432 10.513 1.307 1.00 0.00 O ATOM 963 CB VAL A 63 -5.792 11.417 -0.036 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.666 12.533 -0.653 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.289 11.905 1.345 1.00 0.00 C ATOM 0 H VAL A 63 -7.717 10.065 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.593 9.314 0.298 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.957 11.262 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.125 13.479 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.898 12.283 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.592 12.625 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.874 12.908 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.121 11.923 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.518 11.228 1.711 1.00 0.00 H new ATOM 975 N MET A 64 -7.316 8.684 1.945 1.00 0.00 N ATOM 976 CA MET A 64 -8.190 8.405 3.123 1.00 0.00 C ATOM 977 C MET A 64 -8.068 9.453 4.291 1.00 0.00 C ATOM 978 O MET A 64 -6.969 9.790 4.752 1.00 0.00 O ATOM 979 CB MET A 64 -7.871 6.972 3.623 1.00 0.00 C ATOM 980 CG MET A 64 -8.699 5.842 2.989 1.00 0.00 C ATOM 981 SD MET A 64 -10.368 5.847 3.674 1.00 0.00 S ATOM 982 CE MET A 64 -10.926 4.223 3.140 1.00 0.00 C ATOM 0 H MET A 64 -6.569 8.000 1.821 1.00 0.00 H new ATOM 0 HA MET A 64 -9.226 8.490 2.794 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.816 6.770 3.440 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.018 6.943 4.703 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.740 5.972 1.908 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.222 4.880 3.177 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.782 3.917 3.741 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.216 4.265 2.090 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.119 3.502 3.265 1.00 0.00 H new ATOM 992 N SER A 65 -9.214 9.947 4.797 1.00 0.00 N ATOM 993 CA SER A 65 -9.254 10.959 5.901 1.00 0.00 C ATOM 994 C SER A 65 -10.521 10.857 6.834 1.00 0.00 C ATOM 995 O SER A 65 -11.405 10.017 6.652 1.00 0.00 O ATOM 996 CB SER A 65 -9.048 12.365 5.264 1.00 0.00 C ATOM 997 OG SER A 65 -10.134 12.704 4.404 1.00 0.00 O ATOM 0 H SER A 65 -10.137 9.667 4.464 1.00 0.00 H new ATOM 0 HA SER A 65 -8.442 10.754 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.956 13.114 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.115 12.379 4.700 1.00 0.00 H new ATOM 0 HG SER A 65 -9.981 13.592 4.018 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.442 17.855 -1.985 1.00 0.00 N ATOM 1089 CA PHE A 71 -8.120 18.497 -2.232 1.00 0.00 C ATOM 1090 C PHE A 71 -8.101 19.052 -3.695 1.00 0.00 C ATOM 1091 O PHE A 71 -8.310 18.304 -4.653 1.00 0.00 O ATOM 1092 CB PHE A 71 -6.970 17.483 -1.951 1.00 0.00 C ATOM 1093 CG PHE A 71 -6.826 17.029 -0.480 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -6.099 17.794 0.436 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -7.454 15.860 -0.044 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -5.969 17.373 1.761 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -7.336 15.444 1.282 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.580 16.194 2.176 1.00 0.00 C ATOM 0 HA PHE A 71 -7.962 19.335 -1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.128 16.601 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.028 17.931 -2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.635 18.716 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.036 15.273 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.395 17.961 2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.830 14.543 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.467 15.860 3.197 1.00 0.00 H new ATOM 1108 N SER A 72 -7.842 20.362 -3.866 1.00 0.00 N ATOM 1109 CA SER A 72 -7.661 20.987 -5.214 1.00 0.00 C ATOM 1110 C SER A 72 -6.283 20.643 -5.888 1.00 0.00 C ATOM 1111 O SER A 72 -5.349 21.450 -5.887 1.00 0.00 O ATOM 1112 CB SER A 72 -7.887 22.512 -5.025 1.00 0.00 C ATOM 1113 OG SER A 72 -7.722 23.216 -6.258 1.00 0.00 O ATOM 0 H SER A 72 -7.751 21.020 -3.092 1.00 0.00 H new ATOM 0 HA SER A 72 -8.385 20.577 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.889 22.688 -4.634 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.184 22.898 -4.286 1.00 0.00 H new ATOM 0 HG SER A 72 -7.871 24.173 -6.111 1.00 0.00 H new ATOM 1119 N VAL A 73 -6.195 19.442 -6.474 1.00 0.00 N ATOM 1120 CA VAL A 73 -5.035 18.996 -7.317 1.00 0.00 C ATOM 1121 C VAL A 73 -5.595 18.625 -8.757 1.00 0.00 C ATOM 1122 O VAL A 73 -6.760 18.883 -9.092 1.00 0.00 O ATOM 1123 CB VAL A 73 -4.191 17.870 -6.576 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.762 17.661 -7.151 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -3.974 18.030 -5.047 1.00 0.00 C ATOM 0 H VAL A 73 -6.923 18.733 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.303 19.790 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.852 17.024 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.255 16.876 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.831 17.370 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.197 18.589 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.383 17.193 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.446 18.963 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.940 18.046 -4.542 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.780 18.006 -9.622 1.00 0.00 N ATOM 1136 CA ASP A 74 -5.147 17.677 -11.034 1.00 0.00 C ATOM 1137 C ASP A 74 -6.249 16.552 -11.159 1.00 0.00 C ATOM 1138 O ASP A 74 -7.370 16.815 -11.607 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.808 17.362 -11.773 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.822 18.530 -11.896 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -2.026 18.725 -10.952 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -2.859 19.262 -12.908 1.00 0.00 O ATOM 0 H ASP A 74 -3.836 17.711 -9.373 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.641 18.523 -11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.310 16.545 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.044 17.003 -12.775 1.00 0.00 H new ATOM 1147 N THR A 75 -5.963 15.313 -10.710 1.00 0.00 N ATOM 1148 CA THR A 75 -6.992 14.230 -10.506 1.00 0.00 C ATOM 1149 C THR A 75 -6.873 13.504 -9.108 1.00 0.00 C ATOM 1150 O THR A 75 -6.856 12.272 -8.999 1.00 0.00 O ATOM 1151 CB THR A 75 -7.084 13.311 -11.770 1.00 0.00 C ATOM 1152 OG1 THR A 75 -8.058 12.289 -11.602 1.00 0.00 O ATOM 1153 CG2 THR A 75 -5.803 12.577 -12.192 1.00 0.00 C ATOM 0 H THR A 75 -5.016 15.018 -10.473 1.00 0.00 H new ATOM 0 HA THR A 75 -7.976 14.692 -10.425 1.00 0.00 H new ATOM 0 HB THR A 75 -7.332 14.037 -12.545 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.908 11.832 -10.748 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.003 11.976 -13.079 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.023 13.305 -12.415 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.472 11.928 -11.381 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.885 14.278 -8.004 1.00 0.00 N ATOM 1162 CA ALA A 76 -6.944 13.734 -6.620 1.00 0.00 C ATOM 1163 C ALA A 76 -8.398 13.496 -6.089 1.00 0.00 C ATOM 1164 O ALA A 76 -9.338 14.224 -6.426 1.00 0.00 O ATOM 1165 CB ALA A 76 -6.187 14.736 -5.731 1.00 0.00 C ATOM 0 H ALA A 76 -6.854 15.297 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.490 12.743 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.198 14.387 -4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.156 14.821 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.670 15.711 -5.789 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.605 12.452 -5.267 1.00 0.00 N ATOM 1172 CA HIS A 77 -9.950 12.101 -4.712 1.00 0.00 C ATOM 1173 C HIS A 77 -9.816 11.608 -3.222 1.00 0.00 C ATOM 1174 O HIS A 77 -8.953 10.780 -2.944 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.614 11.021 -5.628 1.00 0.00 C ATOM 1176 CG HIS A 77 -10.974 11.415 -7.076 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.263 11.715 -7.498 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.096 11.445 -8.190 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.059 11.902 -8.848 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -10.789 11.781 -9.349 1.00 0.00 N ATOM 0 H HIS A 77 -7.860 11.825 -4.963 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.591 12.983 -4.700 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.942 10.164 -5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.527 10.684 -5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.037 11.236 -8.145 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.886 12.140 -9.500 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.448 11.903 -10.303 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.641 12.063 -2.249 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.632 11.477 -0.861 1.00 0.00 C ATOM 1191 C ARG A 78 -11.420 10.118 -0.754 1.00 0.00 C ATOM 1192 O ARG A 78 -12.315 9.844 -1.556 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.998 12.594 0.190 1.00 0.00 C ATOM 1194 CG ARG A 78 -12.081 12.347 1.290 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.327 13.252 1.256 1.00 0.00 C ATOM 1196 NE ARG A 78 -14.110 13.313 -0.015 1.00 0.00 N ATOM 1197 CZ ARG A 78 -15.002 12.399 -0.370 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -14.768 11.138 -0.228 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -16.133 12.778 -0.877 1.00 0.00 N ATOM 0 H ARG A 78 -11.313 12.818 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.622 11.157 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.075 12.860 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.312 13.472 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.412 11.311 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.606 12.459 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.000 12.925 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.012 14.265 1.504 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.950 14.100 -0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.880 10.825 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.471 10.454 -0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.330 13.771 -0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.826 12.083 -1.154 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.137 9.316 0.289 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.055 8.226 0.743 1.00 0.00 C ATOM 1215 C ALA A 79 -12.345 8.213 2.292 1.00 0.00 C ATOM 1216 O ALA A 79 -11.634 8.832 3.098 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.461 6.914 0.199 1.00 0.00 C ATOM 0 H ALA A 79 -10.283 9.393 0.841 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.056 8.388 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.091 6.077 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.413 6.960 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.457 6.775 0.601 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.412 7.497 2.691 1.00 0.00 N ATOM 1224 CA ALA A 80 -13.812 7.293 4.117 1.00 0.00 C ATOM 1225 C ALA A 80 -13.993 5.786 4.534 1.00 0.00 C ATOM 1226 O ALA A 80 -13.447 5.357 5.556 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.113 8.104 4.312 1.00 0.00 C ATOM 0 H ALA A 80 -14.037 7.033 2.032 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.011 7.637 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.459 7.996 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.921 9.156 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -15.879 7.733 3.631 1.00 0.00 H new ATOM 1233 N SER A 81 -14.765 5.001 3.766 1.00 0.00 N ATOM 1234 CA SER A 81 -14.971 3.536 3.953 1.00 0.00 C ATOM 1235 C SER A 81 -14.326 2.675 2.796 1.00 0.00 C ATOM 1236 O SER A 81 -13.800 3.203 1.810 1.00 0.00 O ATOM 1237 CB SER A 81 -16.497 3.315 4.207 1.00 0.00 C ATOM 1238 OG SER A 81 -17.359 3.978 3.273 1.00 0.00 O ATOM 0 H SER A 81 -15.284 5.370 2.969 1.00 0.00 H new ATOM 0 HA SER A 81 -14.432 3.165 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.706 2.246 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.738 3.660 5.212 1.00 0.00 H new ATOM 0 HG SER A 81 -18.250 3.572 3.305 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.347 1.330 2.917 1.00 0.00 N ATOM 1245 CA VAL A 82 -13.978 0.390 1.792 1.00 0.00 C ATOM 1246 C VAL A 82 -14.738 0.694 0.439 1.00 0.00 C ATOM 1247 O VAL A 82 -14.102 1.031 -0.564 1.00 0.00 O ATOM 1248 CB VAL A 82 -14.054 -1.095 2.343 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -14.398 -2.223 1.336 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -12.753 -1.552 3.050 1.00 0.00 C ATOM 0 H VAL A 82 -14.614 0.852 3.778 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.947 0.553 1.477 1.00 0.00 H new ATOM 0 HB VAL A 82 -14.896 -0.986 3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.414 -3.181 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -15.377 -2.032 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.645 -2.250 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.871 -2.576 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.921 -1.504 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.550 -0.897 3.897 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.077 0.659 0.459 1.00 0.00 N ATOM 1261 CA GLU A 83 -16.975 1.215 -0.598 1.00 0.00 C ATOM 1262 C GLU A 83 -16.676 2.630 -1.250 1.00 0.00 C ATOM 1263 O GLU A 83 -16.783 2.747 -2.468 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.412 1.097 -0.003 1.00 0.00 C ATOM 1265 CG GLU A 83 -18.727 2.017 1.217 1.00 0.00 C ATOM 1266 CD GLU A 83 -19.369 1.470 2.484 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -19.710 0.274 2.582 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -19.483 2.279 3.431 1.00 0.00 O ATOM 0 H GLU A 83 -16.594 0.233 1.228 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.800 0.625 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -19.130 1.317 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.575 0.062 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.787 2.481 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -19.375 2.814 0.853 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.257 3.685 -0.499 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.782 4.970 -1.118 1.00 0.00 C ATOM 1277 C GLU A 84 -14.516 4.858 -2.032 1.00 0.00 C ATOM 1278 O GLU A 84 -14.504 5.478 -3.092 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.611 6.126 -0.076 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.831 7.089 0.047 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.540 8.558 0.353 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -15.895 8.848 1.377 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -16.914 9.454 -0.440 1.00 0.00 O ATOM 0 H GLU A 84 -16.235 3.680 0.521 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.601 5.226 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.414 5.687 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.732 6.711 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.391 7.044 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.485 6.705 0.830 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.457 4.120 -1.654 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.335 3.809 -2.587 1.00 0.00 C ATOM 1292 C ALA A 85 -12.583 2.693 -3.676 1.00 0.00 C ATOM 1293 O ALA A 85 -11.970 2.781 -4.747 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.059 3.625 -1.743 1.00 0.00 C ATOM 0 H ALA A 85 -13.345 3.726 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.223 4.663 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.219 3.396 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.851 4.543 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.204 2.806 -1.039 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.473 1.699 -3.479 1.00 0.00 N ATOM 1301 CA VAL A 86 -13.895 0.750 -4.565 1.00 0.00 C ATOM 1302 C VAL A 86 -14.664 1.437 -5.745 1.00 0.00 C ATOM 1303 O VAL A 86 -14.225 1.308 -6.893 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.597 -0.533 -3.986 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.143 -1.504 -5.066 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.639 -1.367 -3.103 1.00 0.00 C ATOM 0 H VAL A 86 -13.922 1.521 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.979 0.395 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.429 -0.126 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.611 -2.361 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.880 -0.987 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.322 -1.847 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.164 -2.244 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.782 -1.686 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.295 -0.760 -2.266 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.761 2.171 -5.497 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.571 2.822 -6.570 1.00 0.00 C ATOM 1318 C ASP A 87 -15.821 3.912 -7.439 1.00 0.00 C ATOM 1319 O ASP A 87 -16.031 3.964 -8.653 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.904 3.311 -5.927 1.00 0.00 C ATOM 1321 CG ASP A 87 -18.993 2.253 -5.701 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -18.719 1.191 -5.104 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -20.150 2.500 -6.107 1.00 0.00 O ATOM 0 H ASP A 87 -16.120 2.336 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.783 2.076 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.670 3.768 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.319 4.095 -6.560 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.902 4.744 -6.890 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.898 5.511 -7.707 1.00 0.00 C ATOM 1330 C ILE A 88 -12.813 4.663 -8.458 1.00 0.00 C ATOM 1331 O ILE A 88 -12.460 5.051 -9.566 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.210 6.735 -6.982 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.826 6.458 -5.516 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -14.077 8.019 -7.089 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.649 7.248 -4.916 1.00 0.00 C ATOM 0 H ILE A 88 -14.826 4.909 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.567 5.912 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.273 6.896 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.704 6.648 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.596 5.396 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.574 8.841 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.220 8.275 -8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.047 7.843 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.498 6.945 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.744 7.044 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.870 8.315 -4.954 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.294 3.538 -7.935 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.488 2.585 -8.746 1.00 0.00 C ATOM 1349 C ALA A 89 -12.238 1.903 -9.962 1.00 0.00 C ATOM 1350 O ALA A 89 -11.703 1.886 -11.064 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.858 1.579 -7.761 1.00 0.00 C ATOM 0 H ALA A 89 -12.413 3.260 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.717 3.147 -9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.255 0.858 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.226 2.112 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.647 1.055 -7.222 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.491 1.430 -9.793 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.393 1.080 -10.935 1.00 0.00 C ATOM 1359 C ALA A 90 -14.838 2.249 -11.901 1.00 0.00 C ATOM 1360 O ALA A 90 -14.994 2.026 -13.102 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.583 0.294 -10.351 1.00 0.00 C ATOM 0 H ALA A 90 -13.912 1.278 -8.876 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.805 0.476 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.267 0.019 -11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.218 -0.608 -9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.108 0.915 -9.625 1.00 0.00 H new ATOM 1367 N SER A 91 -15.025 3.489 -11.407 1.00 0.00 N ATOM 1368 CA SER A 91 -15.196 4.706 -12.268 1.00 0.00 C ATOM 1369 C SER A 91 -13.933 5.208 -13.052 1.00 0.00 C ATOM 1370 O SER A 91 -14.062 5.765 -14.148 1.00 0.00 O ATOM 1371 CB SER A 91 -15.796 5.856 -11.419 1.00 0.00 C ATOM 1372 OG SER A 91 -17.069 5.522 -10.867 1.00 0.00 O ATOM 0 H SER A 91 -15.064 3.689 -10.407 1.00 0.00 H new ATOM 0 HA SER A 91 -15.873 4.387 -13.060 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.107 6.104 -10.611 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.895 6.747 -12.039 1.00 0.00 H new ATOM 0 HG SER A 91 -16.944 4.967 -10.069 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.721 5.039 -12.501 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.431 5.216 -13.241 1.00 0.00 C ATOM 1380 C LEU A 92 -10.982 4.023 -14.173 1.00 0.00 C ATOM 1381 O LEU A 92 -10.134 4.266 -15.046 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.363 5.591 -12.173 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.516 6.972 -11.462 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.749 6.999 -10.124 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -10.000 8.120 -12.342 1.00 0.00 C ATOM 0 H LEU A 92 -12.592 4.774 -11.525 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.568 6.007 -13.979 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.365 4.815 -11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.384 5.564 -12.651 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.582 7.109 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.874 7.974 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.140 6.224 -9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.690 6.819 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.122 9.066 -11.815 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.945 7.962 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.566 8.148 -13.273 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.513 2.791 -14.029 1.00 0.00 N ATOM 1398 CA ASP A 93 -11.288 1.628 -14.939 1.00 0.00 C ATOM 1399 C ASP A 93 -9.907 0.919 -14.765 1.00 0.00 C ATOM 1400 O ASP A 93 -9.874 -0.216 -14.288 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.727 1.914 -16.409 1.00 0.00 C ATOM 1402 CG ASP A 93 -12.397 0.776 -17.183 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.755 -0.267 -16.596 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -12.598 0.947 -18.405 1.00 0.00 O ATOM 0 H ASP A 93 -12.133 2.562 -13.252 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.977 0.854 -14.602 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.413 2.761 -16.396 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.845 2.227 -16.968 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.798 1.631 -15.089 1.00 0.00 N ATOM 1410 CA ALA A 94 -7.410 1.399 -14.562 1.00 0.00 C ATOM 1411 C ALA A 94 -6.920 -0.051 -14.230 1.00 0.00 C ATOM 1412 O ALA A 94 -7.513 -0.690 -13.357 1.00 0.00 O ATOM 1413 CB ALA A 94 -7.276 2.287 -13.307 1.00 0.00 C ATOM 0 H ALA A 94 -8.836 2.411 -15.746 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.758 1.643 -15.401 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.283 2.161 -12.877 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.422 3.331 -13.583 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.028 1.997 -12.574 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.843 -0.560 -14.855 1.00 0.00 N ATOM 1420 CA GLU A 95 -5.358 -1.976 -14.687 1.00 0.00 C ATOM 1421 C GLU A 95 -5.562 -2.663 -13.270 1.00 0.00 C ATOM 1422 O GLU A 95 -6.478 -3.482 -13.106 1.00 0.00 O ATOM 1423 CB GLU A 95 -3.893 -2.005 -15.224 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.694 -1.992 -16.774 1.00 0.00 C ATOM 1425 CD GLU A 95 -3.945 -3.303 -17.512 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -3.275 -4.310 -17.198 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -4.776 -3.321 -18.443 1.00 0.00 O ATOM 0 H GLU A 95 -5.270 -0.013 -15.497 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.009 -2.628 -15.269 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.365 -1.146 -14.810 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.407 -2.898 -14.830 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.355 -1.234 -17.195 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.672 -1.675 -16.982 1.00 0.00 H new ATOM 1434 N THR A 96 -4.844 -2.203 -12.229 1.00 0.00 N ATOM 1435 CA THR A 96 -5.093 -2.612 -10.808 1.00 0.00 C ATOM 1436 C THR A 96 -4.756 -1.457 -9.797 1.00 0.00 C ATOM 1437 O THR A 96 -3.665 -0.879 -9.829 1.00 0.00 O ATOM 1438 CB THR A 96 -4.415 -3.984 -10.481 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.981 -4.549 -9.310 1.00 0.00 O ATOM 1440 CG2 THR A 96 -2.894 -3.973 -10.270 1.00 0.00 C ATOM 0 H THR A 96 -4.076 -1.540 -12.334 1.00 0.00 H new ATOM 0 HA THR A 96 -6.162 -2.784 -10.683 1.00 0.00 H new ATOM 0 HB THR A 96 -4.604 -4.565 -11.384 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.561 -5.416 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.550 -4.984 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.404 -3.611 -11.174 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.647 -3.317 -9.435 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.694 -1.133 -8.888 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.475 -0.103 -7.834 1.00 0.00 C ATOM 1450 C ALA A 97 -4.760 -0.647 -6.552 1.00 0.00 C ATOM 1451 O ALA A 97 -4.899 -1.811 -6.172 1.00 0.00 O ATOM 1452 CB ALA A 97 -6.863 0.487 -7.512 1.00 0.00 C ATOM 0 H ALA A 97 -6.617 -1.567 -8.856 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.790 0.659 -8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.764 1.251 -6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.287 0.932 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.521 -0.305 -7.154 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.986 0.208 -5.862 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.989 -0.267 -4.846 1.00 0.00 C ATOM 1460 C TYR A 98 -3.072 0.482 -3.477 1.00 0.00 C ATOM 1461 O TYR A 98 -2.953 1.708 -3.436 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.516 -0.297 -5.379 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.148 0.251 -6.766 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -1.137 1.629 -6.997 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -0.873 -0.618 -7.825 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -0.866 2.131 -8.267 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.576 -0.118 -9.087 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.588 1.254 -9.312 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.303 1.737 -10.554 1.00 0.00 O ATOM 0 H TYR A 98 -4.019 1.221 -5.976 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.285 -1.299 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.907 0.243 -4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.192 -1.338 -5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.340 2.310 -6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.891 -1.685 -7.662 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.871 3.197 -8.441 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.336 -0.795 -9.893 1.00 0.00 H new ATOM 0 HH TYR A 98 0.586 1.429 -10.829 1.00 0.00 H new ATOM 1479 N VAL A 99 -3.175 -0.257 -2.353 1.00 0.00 N ATOM 1480 CA VAL A 99 -3.123 0.321 -0.968 1.00 0.00 C ATOM 1481 C VAL A 99 -1.655 0.358 -0.442 1.00 0.00 C ATOM 1482 O VAL A 99 -1.105 -0.673 -0.051 1.00 0.00 O ATOM 1483 CB VAL A 99 -4.097 -0.460 -0.009 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -3.977 -0.170 1.511 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.581 -0.192 -0.338 1.00 0.00 C ATOM 0 H VAL A 99 -3.297 -1.270 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.470 1.354 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.779 -1.486 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.704 -0.773 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.972 -0.419 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.171 0.886 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.213 -0.753 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.790 0.873 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.790 -0.507 -1.360 1.00 0.00 H new ATOM 1495 N ILE A 100 -1.050 1.550 -0.343 1.00 0.00 N ATOM 1496 CA ILE A 100 0.256 1.764 0.377 1.00 0.00 C ATOM 1497 C ILE A 100 0.231 1.365 1.906 1.00 0.00 C ATOM 1498 O ILE A 100 1.142 0.716 2.426 1.00 0.00 O ATOM 1499 CB ILE A 100 0.693 3.277 0.208 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.741 3.889 -1.229 1.00 0.00 C ATOM 1501 CG2 ILE A 100 2.002 3.690 0.930 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.637 3.218 -2.286 1.00 0.00 C ATOM 0 H ILE A 100 -1.434 2.402 -0.751 1.00 0.00 H new ATOM 0 HA ILE A 100 0.982 1.093 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.173 3.707 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.277 3.901 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.059 4.927 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.202 4.745 0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.894 3.524 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.831 3.091 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.559 3.762 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.672 3.229 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.315 2.187 -2.435 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.757 1.890 2.647 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.534 2.341 4.043 1.00 0.00 C ATOM 1516 C GLY A 101 -0.800 3.869 4.246 1.00 0.00 C ATOM 1517 O GLY A 101 -1.031 4.641 3.311 1.00 0.00 O ATOM 0 H GLY A 101 -1.713 2.015 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.184 1.774 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.493 2.116 4.331 1.00 0.00 H new ATOM 1521 N GLY A 102 -0.818 4.445 5.442 1.00 0.00 N ATOM 1522 CA GLY A 102 -0.369 3.770 6.690 1.00 0.00 C ATOM 1523 C GLY A 102 -1.382 2.835 7.402 1.00 0.00 C ATOM 1524 O GLY A 102 -2.420 2.466 6.863 1.00 0.00 O ATOM 0 H GLY A 102 -1.144 5.400 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.521 3.186 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.066 4.540 7.399 1.00 0.00 H new ATOM 1528 N ALA A 103 -1.075 2.422 8.639 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.775 1.281 9.292 1.00 0.00 C ATOM 1530 C ALA A 103 -3.217 1.456 9.877 1.00 0.00 C ATOM 1531 O ALA A 103 -3.907 0.442 9.997 1.00 0.00 O ATOM 1532 CB ALA A 103 -0.789 0.651 10.277 1.00 0.00 C ATOM 0 H ALA A 103 -0.351 2.852 9.215 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.050 0.620 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.264 -0.192 10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.092 0.303 9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.491 1.393 11.018 1.00 0.00 H new ATOM 1538 N ALA A 104 -3.754 2.669 10.139 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.241 2.870 10.123 1.00 0.00 C ATOM 1540 C ALA A 104 -5.972 2.666 8.738 1.00 0.00 C ATOM 1541 O ALA A 104 -7.173 2.392 8.716 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.560 4.237 10.755 1.00 0.00 C ATOM 0 H ALA A 104 -3.211 3.504 10.358 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.659 2.057 10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.638 4.397 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.195 4.257 11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.073 5.026 10.181 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.250 2.789 7.610 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.736 2.398 6.248 1.00 0.00 C ATOM 1550 C ILE A 105 -5.607 0.845 6.037 1.00 0.00 C ATOM 1551 O ILE A 105 -6.616 0.167 5.840 1.00 0.00 O ATOM 1552 CB ILE A 105 -5.045 3.263 5.120 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -4.875 4.793 5.380 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.714 3.037 3.740 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -6.048 5.519 6.069 1.00 0.00 C ATOM 0 H ILE A 105 -4.302 3.165 7.604 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.800 2.624 6.171 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.025 2.878 5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.983 4.936 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.689 5.281 4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.213 3.648 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.634 1.985 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.765 3.319 3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.802 6.574 6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.945 5.423 5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.227 5.073 7.047 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.380 0.292 6.126 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.099 -1.178 6.053 1.00 0.00 C ATOM 1569 C TYR A 106 -4.979 -2.130 6.955 1.00 0.00 C ATOM 1570 O TYR A 106 -5.424 -3.170 6.473 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.561 -1.355 6.280 1.00 0.00 C ATOM 1572 CG TYR A 106 -1.838 -2.297 5.306 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.756 -3.675 5.555 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.186 -1.765 4.192 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -1.041 -4.500 4.685 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -0.459 -2.582 3.333 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.394 -3.953 3.585 1.00 0.00 C ATOM 1578 OH TYR A 106 0.216 -4.762 2.666 1.00 0.00 O ATOM 0 H TYR A 106 -3.537 0.852 6.252 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.407 -1.520 5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.090 -0.374 6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.404 -1.723 7.294 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.246 -4.098 6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.247 -0.705 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.991 -5.563 4.867 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.050 -2.160 2.479 1.00 0.00 H new ATOM 0 HH TYR A 106 0.618 -4.212 1.962 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.293 -1.766 8.219 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.312 -2.470 9.051 1.00 0.00 C ATOM 1590 C ALA A 107 -7.752 -2.586 8.458 1.00 0.00 C ATOM 1591 O ALA A 107 -8.229 -3.700 8.239 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.299 -1.793 10.435 1.00 0.00 C ATOM 0 H ALA A 107 -4.852 -0.979 8.696 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.023 -3.520 9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.031 -2.275 11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.307 -1.887 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.550 -0.738 10.326 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.439 -1.467 8.158 1.00 0.00 N ATOM 1599 CA LEU A 108 -9.786 -1.529 7.512 1.00 0.00 C ATOM 1600 C LEU A 108 -9.857 -2.136 6.062 1.00 0.00 C ATOM 1601 O LEU A 108 -10.886 -2.719 5.705 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.517 -0.167 7.732 1.00 0.00 C ATOM 1603 CG LEU A 108 -10.163 1.068 6.855 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -10.819 0.996 5.466 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -10.673 2.352 7.529 1.00 0.00 C ATOM 0 H LEU A 108 -8.102 -0.522 8.344 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.355 -2.305 8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.585 -0.352 7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.358 0.120 8.771 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.078 1.074 6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.545 1.878 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.475 0.101 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.903 0.957 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.422 3.213 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.755 2.295 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.205 2.460 8.507 1.00 0.00 H new ATOM 1617 N PHE A 109 -8.787 -1.991 5.256 1.00 0.00 N ATOM 1618 CA PHE A 109 -8.715 -2.551 3.884 1.00 0.00 C ATOM 1619 C PHE A 109 -8.261 -4.042 3.737 1.00 0.00 C ATOM 1620 O PHE A 109 -8.778 -4.663 2.811 1.00 0.00 O ATOM 1621 CB PHE A 109 -7.888 -1.588 2.976 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.724 -0.828 1.933 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.275 -1.538 0.854 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -8.969 0.543 2.044 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.104 -0.899 -0.055 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.775 1.191 1.110 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.361 0.461 0.071 1.00 0.00 C ATOM 0 H PHE A 109 -7.947 -1.484 5.534 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.751 -2.608 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.372 -0.865 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.120 -2.164 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.052 -2.588 0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.532 1.103 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.551 -1.459 -0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.947 2.254 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.014 0.954 -0.634 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.332 -4.627 4.534 1.00 0.00 N ATOM 1638 CA GLN A 110 -6.918 -6.072 4.410 1.00 0.00 C ATOM 1639 C GLN A 110 -8.044 -7.162 4.204 1.00 0.00 C ATOM 1640 O GLN A 110 -7.894 -7.927 3.245 1.00 0.00 O ATOM 1641 CB GLN A 110 -5.922 -6.441 5.550 1.00 0.00 C ATOM 1642 CG GLN A 110 -4.432 -6.099 5.265 1.00 0.00 C ATOM 1643 CD GLN A 110 -3.671 -7.105 4.384 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -3.246 -8.161 4.830 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -3.423 -6.824 3.133 1.00 0.00 N ATOM 0 H GLN A 110 -6.845 -4.127 5.278 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.424 -6.117 3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -6.229 -5.925 6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -6.001 -7.510 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.388 -5.120 4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.910 -6.012 6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.763 -5.951 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.889 -7.477 2.560 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.214 -7.210 4.915 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.419 -7.964 4.434 1.00 0.00 C ATOM 1656 C PRO A 111 -10.929 -7.806 2.951 1.00 0.00 C ATOM 1657 O PRO A 111 -11.691 -8.652 2.480 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.481 -7.525 5.464 1.00 0.00 C ATOM 1659 CG PRO A 111 -10.691 -7.192 6.733 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.402 -6.547 6.223 1.00 0.00 C ATOM 0 HA PRO A 111 -10.170 -9.024 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.040 -6.659 5.109 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -12.205 -8.319 5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.246 -6.512 7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.482 -8.088 7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.501 -5.466 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.563 -6.728 6.895 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.549 -6.730 2.241 1.00 0.00 N ATOM 1669 CA HIS A 112 -10.777 -6.561 0.774 1.00 0.00 C ATOM 1670 C HIS A 112 -9.491 -6.229 -0.091 1.00 0.00 C ATOM 1671 O HIS A 112 -9.643 -5.639 -1.164 1.00 0.00 O ATOM 1672 CB HIS A 112 -11.875 -5.447 0.657 1.00 0.00 C ATOM 1673 CG HIS A 112 -12.713 -5.460 -0.626 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -13.907 -6.150 -0.725 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -12.399 -4.873 -1.871 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -14.199 -5.966 -2.056 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -13.365 -5.186 -2.815 1.00 0.00 N ATOM 0 H HIS A 112 -10.068 -5.937 2.664 1.00 0.00 H new ATOM 0 HA HIS A 112 -11.089 -7.514 0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.549 -5.539 1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.388 -4.475 0.739 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -11.527 -4.265 -2.062 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -15.070 -6.428 -2.496 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -13.435 -4.913 -3.795 1.00 0.00 H new ATOM 1686 N LEU A 113 -8.249 -6.602 0.281 1.00 0.00 N ATOM 1687 CA LEU A 113 -7.160 -6.757 -0.731 1.00 0.00 C ATOM 1688 C LEU A 113 -7.105 -8.258 -1.135 1.00 0.00 C ATOM 1689 O LEU A 113 -6.741 -9.122 -0.334 1.00 0.00 O ATOM 1690 CB LEU A 113 -5.770 -6.215 -0.294 1.00 0.00 C ATOM 1691 CG LEU A 113 -5.504 -4.681 -0.193 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -6.316 -3.783 -1.125 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -5.613 -4.188 1.244 1.00 0.00 C ATOM 0 H LEU A 113 -7.971 -6.798 1.242 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.406 -6.129 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.554 -6.642 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.035 -6.622 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.478 -4.586 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.040 -2.742 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.109 -4.052 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -7.379 -3.914 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.422 -3.115 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.615 -4.389 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.880 -4.706 1.863 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.478 -8.539 -2.384 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.467 -9.915 -2.949 1.00 0.00 C ATOM 1707 C ASP A 114 -6.082 -10.357 -3.575 1.00 0.00 C ATOM 1708 O ASP A 114 -5.815 -11.555 -3.660 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.708 -10.022 -3.878 1.00 0.00 C ATOM 1710 CG ASP A 114 -10.072 -9.883 -3.176 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.645 -10.899 -2.734 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.572 -8.734 -3.042 1.00 0.00 O ATOM 0 H ASP A 114 -7.798 -7.829 -3.043 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.556 -10.659 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.633 -9.252 -4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.677 -10.985 -4.388 1.00 0.00 H new ATOM 1717 N ARG A 115 -5.164 -9.426 -3.929 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.699 -9.713 -4.077 1.00 0.00 C ATOM 1719 C ARG A 115 -2.825 -8.892 -3.032 1.00 0.00 C ATOM 1720 O ARG A 115 -3.228 -7.848 -2.507 1.00 0.00 O ATOM 1721 CB ARG A 115 -3.326 -9.468 -5.573 1.00 0.00 C ATOM 1722 CG ARG A 115 -1.890 -9.908 -5.977 1.00 0.00 C ATOM 1723 CD ARG A 115 -1.404 -9.476 -7.375 1.00 0.00 C ATOM 1724 NE ARG A 115 -1.635 -10.558 -8.380 1.00 0.00 N ATOM 1725 CZ ARG A 115 -2.335 -10.443 -9.501 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -2.826 -9.322 -9.926 1.00 0.00 N ATOM 1727 NH2 ARG A 115 -2.544 -11.495 -10.217 1.00 0.00 N ATOM 0 H ARG A 115 -5.408 -8.454 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.473 -10.751 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.042 -9.999 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -3.438 -8.406 -5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.192 -9.515 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -1.838 -10.995 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.928 -8.571 -7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -0.342 -9.232 -7.336 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.216 -11.468 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.682 -8.466 -9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.357 -9.295 -10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.173 -12.397 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.080 -11.425 -11.082 1.00 0.00 H new ATOM 1741 N MET A 116 -1.597 -9.358 -2.733 1.00 0.00 N ATOM 1742 CA MET A 116 -0.621 -8.667 -1.817 1.00 0.00 C ATOM 1743 C MET A 116 0.772 -8.465 -2.518 1.00 0.00 C ATOM 1744 O MET A 116 1.311 -9.409 -3.098 1.00 0.00 O ATOM 1745 CB MET A 116 -0.503 -9.505 -0.506 1.00 0.00 C ATOM 1746 CG MET A 116 -0.841 -8.773 0.806 1.00 0.00 C ATOM 1747 SD MET A 116 0.469 -7.643 1.313 1.00 0.00 S ATOM 1748 CE MET A 116 0.568 -8.005 3.078 1.00 0.00 C ATOM 0 H MET A 116 -1.235 -10.232 -3.115 1.00 0.00 H new ATOM 0 HA MET A 116 -0.982 -7.668 -1.571 1.00 0.00 H new ATOM 0 HB2 MET A 116 -1.160 -10.371 -0.593 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.516 -9.884 -0.433 1.00 0.00 H new ATOM 0 HG2 MET A 116 -1.770 -8.217 0.681 1.00 0.00 H new ATOM 0 HG3 MET A 116 -1.012 -9.505 1.595 1.00 0.00 H new ATOM 0 HE1 MET A 116 1.337 -7.382 3.535 1.00 0.00 H new ATOM 0 HE2 MET A 116 -0.394 -7.796 3.547 1.00 0.00 H new ATOM 0 HE3 MET A 116 0.820 -9.056 3.220 1.00 0.00 H new ATOM 1758 N VAL A 117 1.372 -7.257 -2.465 1.00 0.00 N ATOM 1759 CA VAL A 117 2.726 -6.964 -3.063 1.00 0.00 C ATOM 1760 C VAL A 117 3.648 -6.119 -2.123 1.00 0.00 C ATOM 1761 O VAL A 117 3.984 -4.958 -2.381 1.00 0.00 O ATOM 1762 CB VAL A 117 2.655 -6.370 -4.515 1.00 0.00 C ATOM 1763 CG1 VAL A 117 1.997 -7.356 -5.485 1.00 0.00 C ATOM 1764 CG2 VAL A 117 1.997 -4.980 -4.682 1.00 0.00 C ATOM 0 H VAL A 117 0.947 -6.448 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 117 3.202 -7.940 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 117 3.707 -6.210 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.962 -6.917 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.577 -8.279 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.983 -7.575 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.016 -4.693 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.964 -5.022 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.547 -4.244 -4.095 1.00 0.00 H new ATOM 1774 N LEU A 118 4.099 -6.732 -1.025 1.00 0.00 N ATOM 1775 CA LEU A 118 4.980 -6.085 -0.017 1.00 0.00 C ATOM 1776 C LEU A 118 6.496 -6.434 -0.212 1.00 0.00 C ATOM 1777 O LEU A 118 6.872 -7.558 -0.572 1.00 0.00 O ATOM 1778 CB LEU A 118 4.390 -6.332 1.402 1.00 0.00 C ATOM 1779 CG LEU A 118 4.289 -7.729 2.072 1.00 0.00 C ATOM 1780 CD1 LEU A 118 3.601 -8.819 1.240 1.00 0.00 C ATOM 1781 CD2 LEU A 118 5.637 -8.274 2.550 1.00 0.00 C ATOM 0 H LEU A 118 3.868 -7.699 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 118 4.986 -5.005 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.968 -5.709 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.377 -5.930 1.384 1.00 0.00 H new ATOM 0 HG LEU A 118 3.647 -7.514 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.586 -9.752 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.579 -8.514 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.149 -8.966 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.492 -9.253 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.314 -8.367 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.067 -7.591 3.283 1.00 0.00 H new ATOM 1793 N SER A 119 7.372 -5.441 0.024 1.00 0.00 N ATOM 1794 CA SER A 119 8.848 -5.616 -0.080 1.00 0.00 C ATOM 1795 C SER A 119 9.489 -5.863 1.318 1.00 0.00 C ATOM 1796 O SER A 119 9.438 -5.021 2.222 1.00 0.00 O ATOM 1797 CB SER A 119 9.440 -4.371 -0.768 1.00 0.00 C ATOM 1798 OG SER A 119 9.057 -4.320 -2.142 1.00 0.00 O ATOM 0 H SER A 119 7.089 -4.498 0.291 1.00 0.00 H new ATOM 0 HA SER A 119 9.072 -6.498 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.098 -3.471 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.527 -4.389 -0.689 1.00 0.00 H new ATOM 0 HG SER A 119 9.442 -3.521 -2.560 1.00 0.00 H new ATOM 1804 N ARG A 120 10.084 -7.051 1.499 1.00 0.00 N ATOM 1805 CA ARG A 120 10.631 -7.487 2.811 1.00 0.00 C ATOM 1806 C ARG A 120 12.129 -7.068 2.980 1.00 0.00 C ATOM 1807 O ARG A 120 13.012 -7.667 2.364 1.00 0.00 O ATOM 1808 CB ARG A 120 10.420 -9.016 2.977 1.00 0.00 C ATOM 1809 CG ARG A 120 8.940 -9.504 3.021 1.00 0.00 C ATOM 1810 CD ARG A 120 8.720 -10.802 3.820 1.00 0.00 C ATOM 1811 NE ARG A 120 8.833 -10.513 5.287 1.00 0.00 N ATOM 1812 CZ ARG A 120 9.523 -11.220 6.167 1.00 0.00 C ATOM 1813 NH1 ARG A 120 10.043 -12.382 5.905 1.00 0.00 N ATOM 1814 NH2 ARG A 120 9.684 -10.726 7.354 1.00 0.00 N ATOM 0 H ARG A 120 10.204 -7.737 0.754 1.00 0.00 H new ATOM 0 HA ARG A 120 10.089 -6.980 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 120 10.924 -9.523 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 120 10.913 -9.332 3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.324 -8.716 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.590 -9.657 2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.738 -11.218 3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.457 -11.550 3.528 1.00 0.00 H new ATOM 0 HE ARG A 120 8.332 -9.697 5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.929 -12.795 4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.566 -12.881 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.284 -9.817 7.587 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.211 -11.246 8.056 1.00 0.00 H new ATOM 1828 N VAL A 121 12.414 -6.047 3.801 1.00 0.00 N ATOM 1829 CA VAL A 121 13.790 -5.471 3.956 1.00 0.00 C ATOM 1830 C VAL A 121 14.642 -6.298 4.999 1.00 0.00 C ATOM 1831 O VAL A 121 14.262 -6.306 6.176 1.00 0.00 O ATOM 1832 CB VAL A 121 13.669 -3.959 4.357 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.006 -3.244 4.679 1.00 0.00 C ATOM 1834 CG2 VAL A 121 12.934 -3.074 3.313 1.00 0.00 C ATOM 0 H VAL A 121 11.712 -5.587 4.381 1.00 0.00 H new ATOM 0 HA VAL A 121 14.322 -5.537 3.007 1.00 0.00 H new ATOM 0 HB VAL A 121 13.078 -4.044 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 121 14.809 -2.205 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.494 -3.745 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.657 -3.278 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 121 12.896 -2.045 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.470 -3.109 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.920 -3.446 3.170 1.00 0.00 H new ATOM 1844 N PRO A 122 15.784 -6.974 4.666 1.00 0.00 N ATOM 1845 CA PRO A 122 16.566 -7.748 5.669 1.00 0.00 C ATOM 1846 C PRO A 122 17.601 -6.888 6.472 1.00 0.00 C ATOM 1847 O PRO A 122 18.708 -6.614 5.992 1.00 0.00 O ATOM 1848 CB PRO A 122 17.166 -8.839 4.757 1.00 0.00 C ATOM 1849 CG PRO A 122 17.397 -8.176 3.396 1.00 0.00 C ATOM 1850 CD PRO A 122 16.272 -7.145 3.279 1.00 0.00 C ATOM 0 HA PRO A 122 15.986 -8.148 6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 122 18.101 -9.220 5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 122 16.488 -9.688 4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 122 18.377 -7.702 3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 122 17.354 -8.905 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.637 -6.204 2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 122 15.479 -7.496 2.619 1.00 0.00 H new ATOM 1935 N THR A 129 4.315 1.091 13.833 1.00 0.00 N ATOM 1936 CA THR A 129 3.104 0.215 13.852 1.00 0.00 C ATOM 1937 C THR A 129 3.380 -1.323 13.806 1.00 0.00 C ATOM 1938 O THR A 129 4.350 -1.793 13.209 1.00 0.00 O ATOM 1939 CB THR A 129 2.156 0.651 12.696 1.00 0.00 C ATOM 1940 OG1 THR A 129 0.870 0.051 12.841 1.00 0.00 O ATOM 1941 CG2 THR A 129 2.650 0.320 11.271 1.00 0.00 C ATOM 0 HA THR A 129 2.635 0.361 14.825 1.00 0.00 H new ATOM 0 HB THR A 129 2.124 1.736 12.790 1.00 0.00 H new ATOM 0 HG1 THR A 129 0.935 -0.910 12.658 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.917 0.666 10.542 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.603 0.818 11.091 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.780 -0.758 11.172 1.00 0.00 H new ATOM 1949 N TYR A 130 2.431 -2.106 14.333 1.00 0.00 N ATOM 1950 CA TYR A 130 2.379 -3.578 14.100 1.00 0.00 C ATOM 1951 C TYR A 130 1.436 -3.931 12.890 1.00 0.00 C ATOM 1952 O TYR A 130 0.638 -3.100 12.435 1.00 0.00 O ATOM 1953 CB TYR A 130 1.957 -4.253 15.444 1.00 0.00 C ATOM 1954 CG TYR A 130 3.029 -4.204 16.551 1.00 0.00 C ATOM 1955 CD1 TYR A 130 3.192 -3.046 17.316 1.00 0.00 C ATOM 1956 CD2 TYR A 130 3.939 -5.258 16.704 1.00 0.00 C ATOM 1957 CE1 TYR A 130 4.293 -2.902 18.152 1.00 0.00 C ATOM 1958 CE2 TYR A 130 5.032 -5.119 17.555 1.00 0.00 C ATOM 1959 CZ TYR A 130 5.223 -3.938 18.262 1.00 0.00 C ATOM 1960 OH TYR A 130 6.343 -3.773 19.032 1.00 0.00 O ATOM 0 H TYR A 130 1.680 -1.755 14.928 1.00 0.00 H new ATOM 0 HA TYR A 130 3.356 -3.965 13.810 1.00 0.00 H new ATOM 0 HB2 TYR A 130 1.052 -3.768 15.811 1.00 0.00 H new ATOM 0 HB3 TYR A 130 1.703 -5.295 15.248 1.00 0.00 H new ATOM 0 HD1 TYR A 130 2.457 -2.257 17.257 1.00 0.00 H new ATOM 0 HD2 TYR A 130 3.792 -6.180 16.161 1.00 0.00 H new ATOM 0 HE1 TYR A 130 4.429 -1.991 18.715 1.00 0.00 H new ATOM 0 HE2 TYR A 130 5.734 -5.932 17.666 1.00 0.00 H new ATOM 0 HH TYR A 130 6.884 -4.589 19.001 1.00 0.00 H new ATOM 1970 N TYR A 131 1.481 -5.182 12.391 1.00 0.00 N ATOM 1971 CA TYR A 131 0.391 -5.732 11.526 1.00 0.00 C ATOM 1972 C TYR A 131 -1.001 -5.849 12.259 1.00 0.00 C ATOM 1973 O TYR A 131 -1.001 -6.089 13.475 1.00 0.00 O ATOM 1974 CB TYR A 131 0.833 -7.097 10.911 1.00 0.00 C ATOM 1975 CG TYR A 131 1.540 -7.003 9.547 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.793 -6.933 8.373 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.941 -7.008 9.470 1.00 0.00 C ATOM 1978 CE1 TYR A 131 1.420 -6.865 7.130 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.568 -6.948 8.225 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.814 -6.881 7.064 1.00 0.00 C ATOM 1981 OH TYR A 131 3.418 -6.845 5.836 1.00 0.00 O ATOM 0 H TYR A 131 2.247 -5.833 12.563 1.00 0.00 H new ATOM 0 HA TYR A 131 0.231 -5.013 10.723 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.500 -7.595 11.614 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -0.047 -7.731 10.803 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.286 -6.931 8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.533 -7.058 10.372 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.832 -6.801 6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.646 -6.954 8.166 1.00 0.00 H new ATOM 0 HH TYR A 131 2.850 -6.354 5.206 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.191 -5.687 11.606 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.504 -5.794 12.290 1.00 0.00 C ATOM 1993 C PRO A 132 -3.989 -7.289 12.337 1.00 0.00 C ATOM 1994 O PRO A 132 -3.364 -8.100 13.032 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.262 -4.714 11.481 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.660 -4.692 10.064 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.360 -5.491 10.151 1.00 0.00 C ATOM 0 HA PRO A 132 -3.601 -5.592 13.357 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.327 -4.941 11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.162 -3.738 11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.344 -5.136 9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.470 -3.670 9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.433 -6.441 9.621 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.521 -4.947 9.716 1.00 0.00 H new ATOM 2005 N GLU A 133 -5.022 -7.673 11.579 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.479 -9.084 11.454 1.00 0.00 C ATOM 2007 C GLU A 133 -5.213 -9.629 10.005 1.00 0.00 C ATOM 2008 O GLU A 133 -6.114 -9.719 9.168 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.932 -9.200 12.017 1.00 0.00 C ATOM 2010 CG GLU A 133 -8.085 -8.369 11.375 1.00 0.00 C ATOM 2011 CD GLU A 133 -8.163 -6.895 11.751 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.833 -6.566 12.753 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -7.559 -6.056 11.050 1.00 0.00 O ATOM 0 H GLU A 133 -5.576 -7.018 11.027 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.893 -9.765 12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.219 -10.250 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.892 -8.937 13.074 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -7.991 -8.438 10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -9.032 -8.838 11.643 1.00 0.00 H new ATOM 2020 N TRP A 134 -3.939 -9.983 9.711 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.512 -10.521 8.383 1.00 0.00 C ATOM 2022 C TRP A 134 -3.454 -12.097 8.306 1.00 0.00 C ATOM 2023 O TRP A 134 -3.204 -12.777 9.312 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.227 -9.753 7.908 1.00 0.00 C ATOM 2025 CG TRP A 134 -0.829 -10.407 7.981 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.051 -10.753 6.850 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.054 -10.771 9.072 1.00 0.00 C ATOM 2028 NE1 TRP A 134 1.193 -11.308 7.208 1.00 0.00 N ATOM 2029 CE2 TRP A 134 1.154 -11.331 8.589 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.311 -10.719 10.467 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 2.107 -11.856 9.492 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.652 -11.230 11.340 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.841 -11.791 10.861 1.00 0.00 C ATOM 0 H TRP A 134 -3.175 -9.906 10.382 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.291 -10.317 7.648 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -2.392 -9.470 6.868 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.177 -8.830 8.485 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -0.374 -10.608 5.830 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.945 -11.619 6.593 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.229 -10.294 10.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 3.023 -12.299 9.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.476 -11.191 12.405 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.565 -12.180 11.562 1.00 0.00 H new ATOM 2044 N ASP A 135 -3.668 -12.670 7.119 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.111 -14.093 6.973 1.00 0.00 C ATOM 2046 C ASP A 135 -2.915 -15.122 6.943 1.00 0.00 C ATOM 2047 O ASP A 135 -2.487 -15.592 5.888 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.079 -14.195 5.746 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.150 -13.099 5.595 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -5.794 -11.970 5.191 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -7.345 -13.348 5.821 1.00 0.00 O ATOM 0 H ASP A 135 -3.546 -12.183 6.231 1.00 0.00 H new ATOM 0 HA ASP A 135 -4.663 -14.388 7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -4.474 -14.202 4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -5.587 -15.158 5.797 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.351 -15.475 8.121 1.00 0.00 N ATOM 2057 CA ALA A 136 -1.095 -16.300 8.201 1.00 0.00 C ATOM 2058 C ALA A 136 -1.018 -17.765 7.641 1.00 0.00 C ATOM 2059 O ALA A 136 0.090 -18.210 7.331 1.00 0.00 O ATOM 2060 CB ALA A 136 -0.642 -16.238 9.675 1.00 0.00 C ATOM 0 H ALA A 136 -2.732 -15.210 9.029 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.434 -15.837 7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.271 -16.821 9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.452 -15.202 9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.425 -16.648 10.314 1.00 0.00 H new ATOM 2066 N ALA A 137 -2.112 -18.534 7.534 1.00 0.00 N ATOM 2067 CA ALA A 137 -2.162 -19.723 6.625 1.00 0.00 C ATOM 2068 C ALA A 137 -2.961 -19.541 5.285 1.00 0.00 C ATOM 2069 O ALA A 137 -2.702 -20.275 4.326 1.00 0.00 O ATOM 2070 CB ALA A 137 -2.665 -20.943 7.434 1.00 0.00 C ATOM 0 H ALA A 137 -2.974 -18.369 8.054 1.00 0.00 H new ATOM 0 HA ALA A 137 -1.142 -19.878 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -2.707 -21.818 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -1.982 -21.137 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -3.660 -20.734 7.826 1.00 0.00 H new ATOM 2076 N GLU A 138 -3.928 -18.608 5.202 1.00 0.00 N ATOM 2077 CA GLU A 138 -4.830 -18.430 4.016 1.00 0.00 C ATOM 2078 C GLU A 138 -4.490 -17.216 3.053 1.00 0.00 C ATOM 2079 O GLU A 138 -5.308 -16.810 2.226 1.00 0.00 O ATOM 2080 CB GLU A 138 -6.283 -18.454 4.583 1.00 0.00 C ATOM 2081 CG GLU A 138 -6.741 -19.854 5.113 1.00 0.00 C ATOM 2082 CD GLU A 138 -8.133 -19.958 5.712 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -9.106 -20.103 4.945 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -8.260 -19.967 6.952 1.00 0.00 O ATOM 0 H GLU A 138 -4.118 -17.945 5.954 1.00 0.00 H new ATOM 0 HA GLU A 138 -4.680 -19.246 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -6.357 -17.729 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -6.971 -18.130 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.676 -20.563 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -6.025 -20.178 5.868 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.242 -16.702 3.068 1.00 0.00 N ATOM 2092 CA TRP A 139 -2.614 -16.014 1.906 1.00 0.00 C ATOM 2093 C TRP A 139 -1.691 -17.027 1.128 1.00 0.00 C ATOM 2094 O TRP A 139 -0.641 -17.430 1.648 1.00 0.00 O ATOM 2095 CB TRP A 139 -1.808 -14.782 2.414 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.483 -13.404 2.432 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -2.684 -12.614 3.579 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -2.901 -12.613 1.379 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -3.284 -11.370 3.278 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.416 -11.405 1.907 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -2.921 -12.848 -0.025 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.026 -10.459 1.050 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.509 -11.891 -0.849 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -4.067 -10.723 -0.318 1.00 0.00 C ATOM 0 H TRP A 139 -2.635 -16.750 3.886 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.381 -15.661 1.217 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.480 -15.000 3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -0.911 -14.700 1.800 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -2.411 -12.923 4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -3.554 -10.626 3.921 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.491 -13.747 -0.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.452 -9.550 1.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.535 -12.053 -1.916 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.538 -10.012 -0.981 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.043 -17.399 -0.112 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.184 -18.256 -0.984 1.00 0.00 C ATOM 2117 C GLU A 140 -0.081 -17.434 -1.743 1.00 0.00 C ATOM 2118 O GLU A 140 -0.289 -16.274 -2.111 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.125 -19.002 -1.972 1.00 0.00 C ATOM 2120 CG GLU A 140 -2.917 -20.201 -1.376 1.00 0.00 C ATOM 2121 CD GLU A 140 -2.152 -21.509 -1.242 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -2.174 -22.313 -2.199 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -1.560 -21.755 -0.172 1.00 0.00 O ATOM 0 H GLU A 140 -2.923 -17.123 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.633 -18.967 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.839 -18.284 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.528 -19.365 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.282 -19.915 -0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.792 -20.378 -2.001 1.00 0.00 H new ATOM 2130 N LEU A 141 1.099 -18.028 -1.989 1.00 0.00 N ATOM 2131 CA LEU A 141 2.236 -17.339 -2.677 1.00 0.00 C ATOM 2132 C LEU A 141 2.255 -17.628 -4.223 1.00 0.00 C ATOM 2133 O LEU A 141 2.245 -18.786 -4.649 1.00 0.00 O ATOM 2134 CB LEU A 141 3.606 -17.718 -2.034 1.00 0.00 C ATOM 2135 CG LEU A 141 3.751 -17.525 -0.496 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.722 -18.875 0.241 1.00 0.00 C ATOM 2137 CD2 LEU A 141 5.004 -16.724 -0.108 1.00 0.00 C ATOM 0 H LEU A 141 1.304 -18.991 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 141 2.078 -16.269 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.808 -18.764 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 141 4.382 -17.129 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 141 2.889 -16.936 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.825 -18.707 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.776 -19.378 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.545 -19.499 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.050 -16.623 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.893 -17.246 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.959 -15.735 -0.563 1.00 0.00 H new ATOM 2149 N ASP A 142 2.319 -16.569 -5.042 1.00 0.00 N ATOM 2150 CA ASP A 142 2.361 -16.651 -6.541 1.00 0.00 C ATOM 2151 C ASP A 142 3.826 -16.513 -7.114 1.00 0.00 C ATOM 2152 O ASP A 142 4.301 -17.388 -7.845 1.00 0.00 O ATOM 2153 CB ASP A 142 1.359 -15.556 -7.036 1.00 0.00 C ATOM 2154 CG ASP A 142 0.755 -15.616 -8.441 1.00 0.00 C ATOM 2155 OD1 ASP A 142 0.871 -16.643 -9.144 1.00 0.00 O ATOM 2156 OD2 ASP A 142 0.102 -14.615 -8.830 1.00 0.00 O ATOM 0 H ASP A 142 2.344 -15.610 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 142 2.059 -17.630 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.527 -15.543 -6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 142 1.867 -14.596 -6.948 1.00 0.00 H new ATOM 2161 N ALA A 143 4.568 -15.438 -6.764 1.00 0.00 N ATOM 2162 CA ALA A 143 5.987 -15.226 -7.178 1.00 0.00 C ATOM 2163 C ALA A 143 6.879 -14.554 -6.071 1.00 0.00 C ATOM 2164 O ALA A 143 6.400 -13.759 -5.262 1.00 0.00 O ATOM 2165 CB ALA A 143 5.939 -14.367 -8.461 1.00 0.00 C ATOM 0 H ALA A 143 4.203 -14.684 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 143 6.462 -16.192 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.954 -14.179 -8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.381 -14.897 -9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.448 -13.418 -8.245 1.00 0.00 H new ATOM 2171 N GLU A 144 8.201 -14.824 -6.064 1.00 0.00 N ATOM 2172 CA GLU A 144 9.194 -14.061 -5.237 1.00 0.00 C ATOM 2173 C GLU A 144 10.397 -13.545 -6.110 1.00 0.00 C ATOM 2174 O GLU A 144 10.861 -14.242 -7.020 1.00 0.00 O ATOM 2175 CB GLU A 144 9.610 -14.937 -4.016 1.00 0.00 C ATOM 2176 CG GLU A 144 10.577 -14.294 -2.974 1.00 0.00 C ATOM 2177 CD GLU A 144 10.520 -14.765 -1.521 1.00 0.00 C ATOM 2178 OE1 GLU A 144 9.935 -15.820 -1.202 1.00 0.00 O ATOM 2179 OE2 GLU A 144 11.032 -14.017 -0.661 1.00 0.00 O ATOM 0 H GLU A 144 8.620 -15.568 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 144 8.741 -13.152 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 144 8.703 -15.240 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 144 10.078 -15.845 -4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 144 11.595 -14.449 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 144 10.398 -13.219 -2.979 1.00 0.00 H new ATOM 2186 N THR A 145 10.915 -12.320 -5.853 1.00 0.00 N ATOM 2187 CA THR A 145 12.163 -11.810 -6.521 1.00 0.00 C ATOM 2188 C THR A 145 13.231 -11.353 -5.460 1.00 0.00 C ATOM 2189 O THR A 145 13.160 -10.243 -4.909 1.00 0.00 O ATOM 2190 CB THR A 145 11.925 -10.715 -7.619 1.00 0.00 C ATOM 2191 OG1 THR A 145 11.598 -9.452 -7.061 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.837 -11.002 -8.664 1.00 0.00 C ATOM 0 H THR A 145 10.500 -11.661 -5.194 1.00 0.00 H new ATOM 0 HA THR A 145 12.560 -12.663 -7.071 1.00 0.00 H new ATOM 0 HB THR A 145 12.890 -10.721 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.946 -9.399 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.775 -10.168 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.086 -11.913 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.877 -11.129 -8.164 1.00 0.00 H new ATOM 2200 N ASP A 146 14.250 -12.191 -5.204 1.00 0.00 N ATOM 2201 CA ASP A 146 15.339 -11.888 -4.231 1.00 0.00 C ATOM 2202 C ASP A 146 16.373 -10.808 -4.724 1.00 0.00 C ATOM 2203 O ASP A 146 16.663 -10.677 -5.920 1.00 0.00 O ATOM 2204 CB ASP A 146 15.979 -13.223 -3.754 1.00 0.00 C ATOM 2205 CG ASP A 146 16.864 -13.985 -4.744 1.00 0.00 C ATOM 2206 OD1 ASP A 146 16.338 -14.514 -5.746 1.00 0.00 O ATOM 2207 OD2 ASP A 146 18.089 -14.060 -4.513 1.00 0.00 O ATOM 0 H ASP A 146 14.351 -13.098 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 146 14.895 -11.395 -3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 146 16.576 -13.010 -2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.173 -13.889 -3.444 1.00 0.00 H new ATOM 2212 N HIS A 147 16.860 -9.954 -3.807 1.00 0.00 N ATOM 2213 CA HIS A 147 17.824 -8.858 -4.141 1.00 0.00 C ATOM 2214 C HIS A 147 18.900 -8.594 -3.038 1.00 0.00 C ATOM 2215 O HIS A 147 18.762 -8.976 -1.874 1.00 0.00 O ATOM 2216 CB HIS A 147 17.049 -7.537 -4.452 1.00 0.00 C ATOM 2217 CG HIS A 147 16.328 -7.538 -5.790 1.00 0.00 C ATOM 2218 ND1 HIS A 147 15.033 -7.992 -5.937 1.00 0.00 N ATOM 2219 CD2 HIS A 147 16.938 -7.373 -7.044 1.00 0.00 C ATOM 2220 CE1 HIS A 147 14.983 -8.161 -7.288 1.00 0.00 C ATOM 2221 NE2 HIS A 147 16.061 -7.770 -8.052 1.00 0.00 N ATOM 0 H HIS A 147 16.608 -9.992 -2.819 1.00 0.00 H new ATOM 0 HA HIS A 147 18.369 -9.199 -5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.321 -7.361 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.751 -6.703 -4.431 1.00 0.00 H new ATOM 0 HD2 HIS A 147 17.937 -6.995 -7.204 1.00 0.00 H new ATOM 0 HE1 HIS A 147 14.111 -8.595 -7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 147 16.182 -7.771 -9.065 1.00 0.00 H new ATOM 2230 N GLU A 148 19.943 -7.827 -3.408 1.00 0.00 N ATOM 2231 CA GLU A 148 20.946 -7.248 -2.469 1.00 0.00 C ATOM 2232 C GLU A 148 20.489 -6.476 -1.174 1.00 0.00 C ATOM 2233 O GLU A 148 21.221 -6.483 -0.179 1.00 0.00 O ATOM 2234 CB GLU A 148 21.919 -6.417 -3.359 1.00 0.00 C ATOM 2235 CG GLU A 148 21.346 -5.184 -4.132 1.00 0.00 C ATOM 2236 CD GLU A 148 20.923 -5.436 -5.581 1.00 0.00 C ATOM 2237 OE1 GLU A 148 19.808 -5.965 -5.804 1.00 0.00 O ATOM 2238 OE2 GLU A 148 21.696 -5.092 -6.500 1.00 0.00 O ATOM 0 H GLU A 148 20.123 -7.583 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 148 21.400 -8.099 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.731 -6.063 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 148 22.359 -7.093 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.483 -4.806 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 148 22.098 -4.395 -4.126 1.00 0.00 H new ATOM 2245 N GLY A 149 19.305 -5.841 -1.144 1.00 0.00 N ATOM 2246 CA GLY A 149 18.670 -5.421 0.145 1.00 0.00 C ATOM 2247 C GLY A 149 17.140 -5.192 0.136 1.00 0.00 C ATOM 2248 O GLY A 149 16.646 -4.297 0.826 1.00 0.00 O ATOM 0 H GLY A 149 18.765 -5.604 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 149 18.894 -6.179 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.148 -4.498 0.472 1.00 0.00 H new ATOM 2252 N PHE A 150 16.391 -6.038 -0.587 1.00 0.00 N ATOM 2253 CA PHE A 150 14.902 -6.111 -0.517 1.00 0.00 C ATOM 2254 C PHE A 150 14.405 -7.522 -1.001 1.00 0.00 C ATOM 2255 O PHE A 150 15.064 -8.193 -1.800 1.00 0.00 O ATOM 2256 CB PHE A 150 14.222 -4.892 -1.230 1.00 0.00 C ATOM 2257 CG PHE A 150 13.850 -4.988 -2.726 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.821 -4.790 -3.708 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.524 -5.217 -3.111 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.468 -4.800 -5.058 1.00 0.00 C ATOM 2261 CE2 PHE A 150 12.174 -5.226 -4.461 1.00 0.00 C ATOM 2262 CZ PHE A 150 13.145 -5.010 -5.431 1.00 0.00 C ATOM 0 H PHE A 150 16.795 -6.703 -1.247 1.00 0.00 H new ATOM 0 HA PHE A 150 14.584 -6.020 0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.308 -4.663 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.886 -4.036 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.850 -4.628 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.768 -5.388 -2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 150 15.223 -4.644 -5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 150 11.149 -5.401 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 150 12.872 -5.005 -6.476 1.00 0.00 H new ATOM 2272 N THR A 151 13.221 -7.960 -0.551 1.00 0.00 N ATOM 2273 CA THR A 151 12.626 -9.265 -0.986 1.00 0.00 C ATOM 2274 C THR A 151 11.141 -9.026 -1.398 1.00 0.00 C ATOM 2275 O THR A 151 10.256 -8.960 -0.538 1.00 0.00 O ATOM 2276 CB THR A 151 12.778 -10.423 0.074 1.00 0.00 C ATOM 2277 OG1 THR A 151 13.577 -10.084 1.210 1.00 0.00 O ATOM 2278 CG2 THR A 151 13.405 -11.689 -0.518 1.00 0.00 C ATOM 0 H THR A 151 12.645 -7.443 0.113 1.00 0.00 H new ATOM 0 HA THR A 151 13.192 -9.622 -1.847 1.00 0.00 H new ATOM 0 HB THR A 151 11.748 -10.594 0.386 1.00 0.00 H new ATOM 0 HG1 THR A 151 13.233 -9.262 1.618 1.00 0.00 H new ATOM 0 HG21 THR A 151 13.485 -12.452 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 151 12.779 -12.060 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 151 14.398 -11.457 -0.903 1.00 0.00 H new ATOM 2286 N LEU A 152 10.832 -8.885 -2.700 1.00 0.00 N ATOM 2287 CA LEU A 152 9.414 -8.820 -3.178 1.00 0.00 C ATOM 2288 C LEU A 152 8.735 -10.215 -3.080 1.00 0.00 C ATOM 2289 O LEU A 152 9.202 -11.158 -3.719 1.00 0.00 O ATOM 2290 CB LEU A 152 9.410 -8.201 -4.611 1.00 0.00 C ATOM 2291 CG LEU A 152 8.137 -8.210 -5.512 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.694 -9.591 -6.024 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.946 -7.459 -4.894 1.00 0.00 C ATOM 0 H LEU A 152 11.527 -8.813 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 152 8.811 -8.173 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.712 -7.159 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 152 10.196 -8.705 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 152 8.472 -7.661 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.801 -9.482 -6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.493 -10.032 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.473 -10.240 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 152 6.095 -7.505 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.678 -7.921 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 152 7.220 -6.418 -4.726 1.00 0.00 H new ATOM 2305 N GLN A 153 7.616 -10.309 -2.353 1.00 0.00 N ATOM 2306 CA GLN A 153 6.675 -11.464 -2.459 1.00 0.00 C ATOM 2307 C GLN A 153 5.321 -10.985 -3.098 1.00 0.00 C ATOM 2308 O GLN A 153 4.639 -10.106 -2.557 1.00 0.00 O ATOM 2309 CB GLN A 153 6.482 -12.089 -1.050 1.00 0.00 C ATOM 2310 CG GLN A 153 7.715 -12.858 -0.508 1.00 0.00 C ATOM 2311 CD GLN A 153 7.563 -13.521 0.861 1.00 0.00 C ATOM 2312 OE1 GLN A 153 6.936 -13.011 1.786 1.00 0.00 O ATOM 2313 NE2 GLN A 153 8.187 -14.649 1.080 1.00 0.00 N ATOM 0 H GLN A 153 7.326 -9.602 -1.677 1.00 0.00 H new ATOM 0 HA GLN A 153 7.081 -12.236 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 153 6.228 -11.296 -0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 153 5.632 -12.770 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 153 7.981 -13.629 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 153 8.554 -12.164 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 153 8.715 -15.094 0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 153 8.146 -15.084 2.002 1.00 0.00 H new ATOM 2322 N GLU A 154 4.947 -11.569 -4.249 1.00 0.00 N ATOM 2323 CA GLU A 154 3.616 -11.388 -4.900 1.00 0.00 C ATOM 2324 C GLU A 154 2.644 -12.548 -4.463 1.00 0.00 C ATOM 2325 O GLU A 154 2.902 -13.718 -4.748 1.00 0.00 O ATOM 2326 CB GLU A 154 3.841 -11.262 -6.459 1.00 0.00 C ATOM 2327 CG GLU A 154 3.650 -9.809 -6.990 1.00 0.00 C ATOM 2328 CD GLU A 154 3.982 -9.316 -8.395 1.00 0.00 C ATOM 2329 OE1 GLU A 154 5.038 -9.672 -8.951 1.00 0.00 O ATOM 2330 OE2 GLU A 154 3.214 -8.454 -8.904 1.00 0.00 O ATOM 0 H GLU A 154 5.563 -12.192 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 154 3.124 -10.470 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.847 -11.602 -6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 154 3.146 -11.925 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.596 -9.577 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 154 4.218 -9.171 -6.313 1.00 0.00 H new ATOM 2337 N TRP A 155 1.552 -12.247 -3.733 1.00 0.00 N ATOM 2338 CA TRP A 155 0.659 -13.281 -3.102 1.00 0.00 C ATOM 2339 C TRP A 155 -0.792 -13.256 -3.694 1.00 0.00 C ATOM 2340 O TRP A 155 -1.401 -12.185 -3.782 1.00 0.00 O ATOM 2341 CB TRP A 155 0.527 -13.056 -1.564 1.00 0.00 C ATOM 2342 CG TRP A 155 1.778 -13.008 -0.674 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.667 -11.917 -0.624 1.00 0.00 C ATOM 2344 CD2 TRP A 155 2.117 -13.802 0.411 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.544 -12.004 0.468 1.00 0.00 N ATOM 2346 CE2 TRP A 155 3.188 -13.174 1.093 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.531 -14.979 0.944 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.656 -13.690 2.320 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 2.026 -15.487 2.149 1.00 0.00 C ATOM 2350 CH2 TRP A 155 3.068 -14.849 2.828 1.00 0.00 C ATOM 0 H TRP A 155 1.251 -11.289 -3.555 1.00 0.00 H new ATOM 0 HA TRP A 155 1.131 -14.240 -3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 155 -0.006 -12.116 -1.421 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.114 -13.848 -1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.673 -11.109 -1.341 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.278 -11.348 0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.719 -15.472 0.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 4.454 -13.197 2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 1.596 -16.387 2.562 1.00 0.00 H new ATOM 0 HH2 TRP A 155 3.424 -15.260 3.761 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.386 -14.417 -4.021 1.00 0.00 N ATOM 2362 CA VAL A 156 -2.731 -14.512 -4.692 1.00 0.00 C ATOM 2363 C VAL A 156 -4.007 -14.797 -3.796 1.00 0.00 C ATOM 2364 O VAL A 156 -5.119 -14.692 -4.315 1.00 0.00 O ATOM 2365 CB VAL A 156 -2.566 -15.467 -5.933 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -2.403 -16.973 -5.614 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -3.659 -15.314 -7.010 1.00 0.00 C ATOM 0 H VAL A 156 -0.962 -15.326 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.000 -13.503 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.616 -15.109 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -2.298 -17.532 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -1.515 -17.121 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.281 -17.328 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -3.465 -16.010 -7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -4.634 -15.530 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.652 -14.294 -7.393 1.00 0.00 H new ATOM 2377 N ARG A 157 -3.889 -15.115 -2.485 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.045 -15.410 -1.560 1.00 0.00 C ATOM 2379 C ARG A 157 -5.620 -16.864 -1.703 1.00 0.00 C ATOM 2380 O ARG A 157 -5.538 -17.498 -2.760 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.116 -14.266 -1.518 1.00 0.00 C ATOM 2382 CG ARG A 157 -6.955 -14.084 -0.217 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.559 -12.656 -0.180 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.372 -12.323 1.029 1.00 0.00 N ATOM 2385 CZ ARG A 157 -7.888 -12.103 2.249 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -6.642 -12.252 2.554 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -8.691 -11.729 3.190 1.00 0.00 N ATOM 0 H ARG A 157 -2.984 -15.179 -2.020 1.00 0.00 H new ATOM 0 HA ARG A 157 -4.624 -15.409 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -5.604 -13.325 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.811 -14.432 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.751 -14.827 -0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.326 -14.246 0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.744 -11.936 -0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.185 -12.524 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.383 -12.259 0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -5.975 -12.552 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -6.325 -12.069 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.684 -11.605 2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.331 -11.557 4.129 1.00 0.00 H new ATOM 2401 N SER A 158 -6.183 -17.409 -0.609 1.00 0.00 N ATOM 2402 CA SER A 158 -6.706 -18.805 -0.567 1.00 0.00 C ATOM 2403 C SER A 158 -7.820 -19.164 -1.601 1.00 0.00 C ATOM 2404 O SER A 158 -8.826 -18.469 -1.760 1.00 0.00 O ATOM 2405 CB SER A 158 -7.209 -19.037 0.872 1.00 0.00 C ATOM 2406 OG SER A 158 -7.842 -20.307 1.055 1.00 0.00 O ATOM 0 H SER A 158 -6.292 -16.905 0.271 1.00 0.00 H new ATOM 0 HA SER A 158 -5.888 -19.465 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 158 -6.368 -18.956 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 158 -7.913 -18.247 1.135 1.00 0.00 H new ATOM 0 HG SER A 158 -8.137 -20.395 1.986 1.00 0.00 H new