USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=27 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 42:sc= 0.266 USER MOD Set 1.2: A 147 HIS : no HE2:sc= 0.0122 X(o=0.28,f=-0.011) USER MOD Set 2.1: A 116 MET CE :methyl 178:sc= 0 (180deg=-0.00249) USER MOD Set 2.2: A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.73 (180deg=1.22) USER MOD Single : A 5 SER OG : rot 58:sc= 0.241 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0.00822 (180deg=-0.00341) USER MOD Single : A 32 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.052) USER MOD Single : A 33 TYR OH : rot 112:sc= -1.26 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 48 THR OG1 : rot 173:sc= 0.499 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 107:sc= 0.00539 USER MOD Single : A 61 GLN : amide:sc= 0.0627 K(o=0.063,f=-0.54!) USER MOD Single : A 64 MET CE :methyl -170:sc= -0.016 (180deg=-0.0641) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 47:sc= 0.651 USER MOD Single : A 75 THR OG1 : rot -39:sc= 0.485 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 79:sc= 0.956 USER MOD Single : A 96 THR OG1 : rot 18:sc= 1.3 USER MOD Single : A 98 TYR OH : rot 117:sc= 0.0937 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.057) USER MOD Single : A 112 HIS : no HD1:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 119 SER OG : rot -108:sc= 0.231 USER MOD Single : A 129 THR OG1 : rot -28:sc= 0.0131 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -83:sc= 1.18 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.113 -2.534 -12.576 1.00 0.00 N ATOM 2 CA MET A 1 -9.878 -2.210 -11.330 1.00 0.00 C ATOM 3 C MET A 1 -9.849 -3.206 -10.104 1.00 0.00 C ATOM 4 O MET A 1 -10.632 -3.019 -9.171 1.00 0.00 O ATOM 5 CB MET A 1 -11.296 -1.744 -11.778 1.00 0.00 C ATOM 6 CG MET A 1 -12.219 -2.759 -12.497 1.00 0.00 C ATOM 7 SD MET A 1 -13.694 -1.891 -13.070 1.00 0.00 S ATOM 8 CE MET A 1 -14.594 -3.218 -13.887 1.00 0.00 C ATOM 0 H1 MET A 1 -8.797 -1.652 -13.029 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.285 -3.115 -12.334 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.725 -3.060 -13.232 1.00 0.00 H new ATOM 0 HA MET A 1 -9.325 -1.414 -10.831 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.822 -1.388 -10.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.169 -0.887 -12.439 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.697 -3.214 -13.339 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.495 -3.566 -11.818 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.529 -2.829 -14.291 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.989 -3.622 -14.698 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.810 -4.008 -13.167 1.00 0.00 H new ATOM 20 N GLU A 2 -8.925 -4.187 -10.041 1.00 0.00 N ATOM 21 CA GLU A 2 -8.703 -5.049 -8.832 1.00 0.00 C ATOM 22 C GLU A 2 -7.747 -4.404 -7.753 1.00 0.00 C ATOM 23 O GLU A 2 -6.895 -3.573 -8.065 1.00 0.00 O ATOM 24 CB GLU A 2 -8.280 -6.461 -9.338 1.00 0.00 C ATOM 25 CG GLU A 2 -6.871 -6.567 -9.996 1.00 0.00 C ATOM 26 CD GLU A 2 -6.450 -7.836 -10.730 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.859 -8.957 -10.380 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.554 -7.721 -11.591 1.00 0.00 O ATOM 0 H GLU A 2 -8.306 -4.414 -10.819 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.629 -5.146 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.316 -7.151 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.021 -6.801 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.784 -5.743 -10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.136 -6.391 -9.211 1.00 0.00 H new ATOM 35 N LEU A 3 -7.915 -4.722 -6.460 1.00 0.00 N ATOM 36 CA LEU A 3 -7.297 -3.943 -5.336 1.00 0.00 C ATOM 37 C LEU A 3 -6.118 -4.691 -4.624 1.00 0.00 C ATOM 38 O LEU A 3 -6.251 -5.864 -4.259 1.00 0.00 O ATOM 39 CB LEU A 3 -8.451 -3.593 -4.340 1.00 0.00 C ATOM 40 CG LEU A 3 -9.013 -2.153 -4.446 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.313 -2.018 -3.644 1.00 0.00 C ATOM 42 CD2 LEU A 3 -8.030 -1.096 -3.914 1.00 0.00 C ATOM 0 H LEU A 3 -8.475 -5.516 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.833 -3.041 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.269 -4.296 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.089 -3.749 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.187 -1.978 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.691 -0.999 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.055 -2.715 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.119 -2.244 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.473 -0.105 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.814 -1.295 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.105 -1.138 -4.489 1.00 0.00 H new ATOM 54 N VAL A 4 -4.988 -3.998 -4.379 1.00 0.00 N ATOM 55 CA VAL A 4 -3.738 -4.625 -3.844 1.00 0.00 C ATOM 56 C VAL A 4 -3.106 -3.847 -2.623 1.00 0.00 C ATOM 57 O VAL A 4 -3.135 -2.615 -2.550 1.00 0.00 O ATOM 58 CB VAL A 4 -2.771 -4.903 -5.052 1.00 0.00 C ATOM 59 CG1 VAL A 4 -2.133 -3.660 -5.708 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.638 -5.882 -4.695 1.00 0.00 C ATOM 0 H VAL A 4 -4.904 -2.994 -4.541 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.974 -5.584 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.450 -5.343 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.487 -3.973 -6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.918 -3.008 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.544 -3.120 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.002 -6.036 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.043 -5.469 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.065 -6.835 -4.384 1.00 0.00 H new ATOM 70 N SER A 5 -2.523 -4.582 -1.658 1.00 0.00 N ATOM 71 CA SER A 5 -1.988 -4.012 -0.377 1.00 0.00 C ATOM 72 C SER A 5 -0.438 -3.763 -0.440 1.00 0.00 C ATOM 73 O SER A 5 0.308 -4.732 -0.588 1.00 0.00 O ATOM 74 CB SER A 5 -2.347 -4.959 0.819 1.00 0.00 C ATOM 75 OG SER A 5 -3.414 -5.902 0.609 1.00 0.00 O ATOM 0 H SER A 5 -2.402 -5.592 -1.731 1.00 0.00 H new ATOM 0 HA SER A 5 -2.459 -3.041 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.451 -5.517 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.608 -4.338 1.676 1.00 0.00 H new ATOM 0 HG SER A 5 -3.200 -6.473 -0.158 1.00 0.00 H new ATOM 81 N VAL A 6 0.078 -2.518 -0.364 1.00 0.00 N ATOM 82 CA VAL A 6 1.503 -2.201 -0.745 1.00 0.00 C ATOM 83 C VAL A 6 2.322 -1.611 0.466 1.00 0.00 C ATOM 84 O VAL A 6 2.415 -0.401 0.694 1.00 0.00 O ATOM 85 CB VAL A 6 1.660 -1.480 -2.149 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.525 -1.750 -3.163 1.00 0.00 C ATOM 87 CG2 VAL A 6 1.923 0.041 -2.189 1.00 0.00 C ATOM 0 H VAL A 6 -0.454 -1.708 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 6 2.002 -3.148 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 6 2.587 -1.978 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.728 -1.211 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.469 -2.819 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.423 -1.411 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.004 0.369 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.099 0.566 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.852 0.263 -1.665 1.00 0.00 H new ATOM 97 N ALA A 7 2.957 -2.503 1.240 1.00 0.00 N ATOM 98 CA ALA A 7 3.804 -2.152 2.413 1.00 0.00 C ATOM 99 C ALA A 7 5.337 -2.409 2.207 1.00 0.00 C ATOM 100 O ALA A 7 5.802 -2.895 1.171 1.00 0.00 O ATOM 101 CB ALA A 7 3.203 -2.978 3.574 1.00 0.00 C ATOM 0 H ALA A 7 2.902 -3.508 1.074 1.00 0.00 H new ATOM 0 HA ALA A 7 3.781 -1.080 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.765 -2.784 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.161 -2.694 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.258 -4.039 3.332 1.00 0.00 H new ATOM 107 N ALA A 8 6.145 -2.073 3.222 1.00 0.00 N ATOM 108 CA ALA A 8 7.547 -2.559 3.337 1.00 0.00 C ATOM 109 C ALA A 8 7.904 -2.805 4.838 1.00 0.00 C ATOM 110 O ALA A 8 7.674 -1.944 5.690 1.00 0.00 O ATOM 111 CB ALA A 8 8.488 -1.553 2.647 1.00 0.00 C ATOM 0 H ALA A 8 5.858 -1.462 3.986 1.00 0.00 H new ATOM 0 HA ALA A 8 7.667 -3.516 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.517 -1.903 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.217 -1.463 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.397 -0.580 3.129 1.00 0.00 H new ATOM 117 N LEU A 9 8.436 -3.990 5.154 1.00 0.00 N ATOM 118 CA LEU A 9 8.874 -4.342 6.534 1.00 0.00 C ATOM 119 C LEU A 9 10.326 -3.871 6.884 1.00 0.00 C ATOM 120 O LEU A 9 11.159 -3.615 6.018 1.00 0.00 O ATOM 121 CB LEU A 9 8.734 -5.894 6.680 1.00 0.00 C ATOM 122 CG LEU A 9 7.318 -6.433 7.009 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.269 -7.955 6.802 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.915 -6.104 8.459 1.00 0.00 C ATOM 0 H LEU A 9 8.580 -4.737 4.474 1.00 0.00 H new ATOM 0 HA LEU A 9 8.240 -3.812 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.067 -6.356 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.416 -6.226 7.463 1.00 0.00 H new ATOM 0 HG LEU A 9 6.614 -5.946 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.270 -8.322 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.508 -8.189 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.995 -8.435 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.917 -6.496 8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.627 -6.560 9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.915 -5.023 8.600 1.00 0.00 H new ATOM 136 N ALA A 10 10.626 -3.831 8.188 1.00 0.00 N ATOM 137 CA ALA A 10 12.014 -3.680 8.725 1.00 0.00 C ATOM 138 C ALA A 10 12.458 -4.808 9.727 1.00 0.00 C ATOM 139 O ALA A 10 13.222 -4.548 10.660 1.00 0.00 O ATOM 140 CB ALA A 10 11.941 -2.286 9.377 1.00 0.00 C ATOM 0 H ALA A 10 9.918 -3.902 8.918 1.00 0.00 H new ATOM 0 HA ALA A 10 12.777 -3.775 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.907 -2.040 9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.688 -1.543 8.620 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.176 -2.287 10.154 1.00 0.00 H new ATOM 400 N PRO A 27 17.350 2.095 -2.385 1.00 0.00 N ATOM 401 CA PRO A 27 16.248 2.404 -3.359 1.00 0.00 C ATOM 402 C PRO A 27 15.694 1.237 -4.257 1.00 0.00 C ATOM 403 O PRO A 27 15.012 1.500 -5.253 1.00 0.00 O ATOM 404 CB PRO A 27 16.890 3.543 -4.178 1.00 0.00 C ATOM 405 CG PRO A 27 18.385 3.220 -4.168 1.00 0.00 C ATOM 406 CD PRO A 27 18.645 2.691 -2.755 1.00 0.00 C ATOM 0 HA PRO A 27 15.324 2.646 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.496 3.573 -5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.690 4.516 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.637 2.477 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.985 4.105 -4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.448 1.954 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.933 3.489 -2.071 1.00 0.00 H new ATOM 414 N ALA A 28 15.948 -0.029 -3.901 1.00 0.00 N ATOM 415 CA ALA A 28 15.397 -1.217 -4.599 1.00 0.00 C ATOM 416 C ALA A 28 13.941 -1.636 -4.193 1.00 0.00 C ATOM 417 O ALA A 28 13.172 -1.985 -5.096 1.00 0.00 O ATOM 418 CB ALA A 28 16.454 -2.329 -4.481 1.00 0.00 C ATOM 0 H ALA A 28 16.548 -0.269 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 28 15.228 -0.971 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.094 -3.228 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.382 -2.000 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.636 -2.548 -3.429 1.00 0.00 H new ATOM 424 N ASP A 29 13.493 -1.514 -2.918 1.00 0.00 N ATOM 425 CA ASP A 29 12.030 -1.446 -2.584 1.00 0.00 C ATOM 426 C ASP A 29 11.261 -0.302 -3.339 1.00 0.00 C ATOM 427 O ASP A 29 10.352 -0.581 -4.123 1.00 0.00 O ATOM 428 CB ASP A 29 11.752 -1.459 -1.054 1.00 0.00 C ATOM 429 CG ASP A 29 11.945 -0.137 -0.308 1.00 0.00 C ATOM 430 OD1 ASP A 29 13.069 0.137 0.142 1.00 0.00 O ATOM 431 OD2 ASP A 29 10.987 0.677 -0.262 1.00 0.00 O ATOM 0 H ASP A 29 14.108 -1.460 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 29 11.609 -2.374 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.726 -1.791 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.401 -2.205 -0.597 1.00 0.00 H new ATOM 436 N LYS A 30 11.730 0.952 -3.238 1.00 0.00 N ATOM 437 CA LYS A 30 11.370 2.058 -4.170 1.00 0.00 C ATOM 438 C LYS A 30 11.772 1.894 -5.700 1.00 0.00 C ATOM 439 O LYS A 30 11.606 2.843 -6.479 1.00 0.00 O ATOM 440 CB LYS A 30 11.903 3.373 -3.524 1.00 0.00 C ATOM 441 CG LYS A 30 11.238 3.836 -2.193 1.00 0.00 C ATOM 442 CD LYS A 30 9.800 4.415 -2.315 1.00 0.00 C ATOM 443 CE LYS A 30 8.670 3.513 -1.790 1.00 0.00 C ATOM 444 NZ LYS A 30 8.613 3.470 -0.298 1.00 0.00 N ATOM 0 H LYS A 30 12.377 1.240 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 30 10.285 2.060 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.971 3.251 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.793 4.176 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.210 2.987 -1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.875 4.593 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.763 5.362 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.605 4.636 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.716 3.871 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.810 2.502 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.835 2.849 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.512 3.102 0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.452 4.429 0.071 1.00 0.00 H new ATOM 458 N LYS A 31 12.177 0.695 -6.167 1.00 0.00 N ATOM 459 CA LYS A 31 12.011 0.261 -7.580 1.00 0.00 C ATOM 460 C LYS A 31 10.782 -0.657 -7.865 1.00 0.00 C ATOM 461 O LYS A 31 10.183 -0.465 -8.922 1.00 0.00 O ATOM 462 CB LYS A 31 13.306 -0.358 -8.191 1.00 0.00 C ATOM 463 CG LYS A 31 14.425 0.623 -8.618 1.00 0.00 C ATOM 464 CD LYS A 31 14.012 1.872 -9.441 1.00 0.00 C ATOM 465 CE LYS A 31 13.370 1.665 -10.836 1.00 0.00 C ATOM 466 NZ LYS A 31 11.930 1.232 -10.805 1.00 0.00 N ATOM 0 H LYS A 31 12.630 -0.004 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 31 11.802 1.202 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.725 -1.052 -7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.021 -0.946 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.931 0.968 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.157 0.064 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.312 2.449 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.901 2.489 -9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.443 2.597 -11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.948 0.919 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.561 1.183 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.859 0.295 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.373 1.919 -10.258 1.00 0.00 H new ATOM 480 N GLN A 32 10.429 -1.635 -7.018 1.00 0.00 N ATOM 481 CA GLN A 32 9.168 -2.424 -7.162 1.00 0.00 C ATOM 482 C GLN A 32 7.872 -1.714 -6.634 1.00 0.00 C ATOM 483 O GLN A 32 6.866 -1.604 -7.338 1.00 0.00 O ATOM 484 CB GLN A 32 9.439 -3.799 -6.498 1.00 0.00 C ATOM 485 CG GLN A 32 8.328 -4.868 -6.664 1.00 0.00 C ATOM 486 CD GLN A 32 7.960 -5.273 -8.101 1.00 0.00 C ATOM 487 OE1 GLN A 32 7.319 -4.531 -8.834 1.00 0.00 O ATOM 488 NE2 GLN A 32 8.332 -6.439 -8.561 1.00 0.00 N ATOM 0 H GLN A 32 10.995 -1.910 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 32 8.931 -2.539 -8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.366 -4.201 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.604 -3.639 -5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.638 -5.765 -6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.427 -4.499 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.867 -7.074 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.087 -6.714 -9.512 1.00 0.00 H new ATOM 497 N TYR A 33 7.929 -1.168 -5.414 1.00 0.00 N ATOM 498 CA TYR A 33 6.968 -0.156 -4.890 1.00 0.00 C ATOM 499 C TYR A 33 6.820 1.141 -5.779 1.00 0.00 C ATOM 500 O TYR A 33 5.717 1.684 -5.839 1.00 0.00 O ATOM 501 CB TYR A 33 7.471 0.107 -3.438 1.00 0.00 C ATOM 502 CG TYR A 33 6.522 0.648 -2.347 1.00 0.00 C ATOM 503 CD1 TYR A 33 5.794 1.840 -2.477 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.534 -0.006 -1.107 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.105 2.362 -1.381 1.00 0.00 C ATOM 506 CE2 TYR A 33 5.837 0.512 -0.024 1.00 0.00 C ATOM 507 CZ TYR A 33 5.118 1.688 -0.163 1.00 0.00 C ATOM 508 OH TYR A 33 4.428 2.158 0.918 1.00 0.00 O ATOM 0 H TYR A 33 8.654 -1.413 -4.740 1.00 0.00 H new ATOM 0 HA TYR A 33 5.941 -0.522 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.878 -0.834 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.303 0.807 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.767 2.354 -3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.092 -0.924 -0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.561 3.290 -1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.855 -0.001 0.926 1.00 0.00 H new ATOM 0 HH TYR A 33 3.686 1.551 1.122 1.00 0.00 H new ATOM 518 N ARG A 34 7.863 1.604 -6.516 1.00 0.00 N ATOM 519 CA ARG A 34 7.664 2.498 -7.707 1.00 0.00 C ATOM 520 C ARG A 34 7.939 1.769 -9.089 1.00 0.00 C ATOM 521 O ARG A 34 8.787 2.170 -9.899 1.00 0.00 O ATOM 522 CB ARG A 34 8.450 3.827 -7.472 1.00 0.00 C ATOM 523 CG ARG A 34 7.901 5.069 -8.241 1.00 0.00 C ATOM 524 CD ARG A 34 8.926 6.208 -8.479 1.00 0.00 C ATOM 525 NE ARG A 34 8.462 7.570 -8.074 1.00 0.00 N ATOM 526 CZ ARG A 34 9.257 8.572 -7.699 1.00 0.00 C ATOM 527 NH1 ARG A 34 10.506 8.427 -7.360 1.00 0.00 N ATOM 528 NH2 ARG A 34 8.777 9.764 -7.652 1.00 0.00 N ATOM 0 H ARG A 34 8.839 1.382 -6.318 1.00 0.00 H new ATOM 0 HA ARG A 34 6.611 2.763 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.445 4.049 -6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.490 3.671 -7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.520 4.738 -9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.055 5.474 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.840 5.974 -7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.184 6.229 -9.538 1.00 0.00 H new ATOM 0 HE ARG A 34 7.457 7.747 -8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.933 7.501 -7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.057 9.240 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.802 9.931 -7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.372 10.542 -7.367 1.00 0.00 H new ATOM 542 N SER A 35 7.193 0.676 -9.323 1.00 0.00 N ATOM 543 CA SER A 35 6.955 0.039 -10.659 1.00 0.00 C ATOM 544 C SER A 35 5.580 -0.732 -10.730 1.00 0.00 C ATOM 545 O SER A 35 4.997 -0.783 -11.813 1.00 0.00 O ATOM 546 CB SER A 35 8.104 -0.888 -11.112 1.00 0.00 C ATOM 547 OG SER A 35 7.896 -1.363 -12.444 1.00 0.00 O ATOM 0 H SER A 35 6.715 0.183 -8.569 1.00 0.00 H new ATOM 0 HA SER A 35 6.915 0.876 -11.356 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.050 -0.349 -11.060 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.181 -1.735 -10.430 1.00 0.00 H new ATOM 0 HG SER A 35 8.640 -1.946 -12.703 1.00 0.00 H new ATOM 553 N ARG A 36 5.031 -1.297 -9.625 1.00 0.00 N ATOM 554 CA ARG A 36 3.555 -1.275 -9.364 1.00 0.00 C ATOM 555 C ARG A 36 2.966 0.179 -9.378 1.00 0.00 C ATOM 556 O ARG A 36 2.225 0.510 -10.303 1.00 0.00 O ATOM 557 CB ARG A 36 3.246 -2.014 -8.013 1.00 0.00 C ATOM 558 CG ARG A 36 2.798 -3.493 -8.098 1.00 0.00 C ATOM 559 CD ARG A 36 1.295 -3.666 -8.418 1.00 0.00 C ATOM 560 NE ARG A 36 0.925 -5.105 -8.338 1.00 0.00 N ATOM 561 CZ ARG A 36 0.779 -5.935 -9.365 1.00 0.00 C ATOM 562 NH1 ARG A 36 0.853 -5.588 -10.619 1.00 0.00 N ATOM 563 NH2 ARG A 36 0.545 -7.170 -9.102 1.00 0.00 N ATOM 0 H ARG A 36 5.575 -1.770 -8.903 1.00 0.00 H new ATOM 0 HA ARG A 36 3.060 -1.805 -10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.140 -1.968 -7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.467 -1.455 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.385 -3.998 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.019 -3.986 -7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.695 -3.087 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.079 -3.280 -9.414 1.00 0.00 H new ATOM 0 HE ARG A 36 0.769 -5.491 -7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.035 -4.616 -10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.729 -6.288 -11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.478 -7.481 -8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.427 -7.840 -9.862 1.00 0.00 H new ATOM 577 N VAL A 37 3.350 1.051 -8.417 1.00 0.00 N ATOM 578 CA VAL A 37 2.959 2.497 -8.427 1.00 0.00 C ATOM 579 C VAL A 37 3.814 3.276 -9.499 1.00 0.00 C ATOM 580 O VAL A 37 4.926 3.738 -9.222 1.00 0.00 O ATOM 581 CB VAL A 37 3.044 3.152 -6.993 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.299 4.505 -6.954 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.536 2.321 -5.782 1.00 0.00 C ATOM 0 H VAL A 37 3.930 0.787 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 37 1.910 2.566 -8.715 1.00 0.00 H new ATOM 0 HB VAL A 37 4.122 3.244 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.374 4.933 -5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.747 5.188 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.250 4.350 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.658 2.900 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.482 2.081 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.111 1.398 -5.707 1.00 0.00 H new ATOM 593 N ALA A 38 3.311 3.354 -10.743 1.00 0.00 N ATOM 594 CA ALA A 38 3.988 4.054 -11.869 1.00 0.00 C ATOM 595 C ALA A 38 3.170 5.295 -12.368 1.00 0.00 C ATOM 596 O ALA A 38 3.408 6.401 -11.878 1.00 0.00 O ATOM 597 CB ALA A 38 4.356 2.981 -12.924 1.00 0.00 C ATOM 0 H ALA A 38 2.419 2.934 -11.006 1.00 0.00 H new ATOM 0 HA ALA A 38 4.922 4.524 -11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.856 3.457 -13.768 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.022 2.244 -12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.449 2.486 -13.271 1.00 0.00 H new ATOM 603 N ASP A 39 2.224 5.129 -13.311 1.00 0.00 N ATOM 604 CA ASP A 39 1.326 6.233 -13.776 1.00 0.00 C ATOM 605 C ASP A 39 -0.192 5.796 -13.731 1.00 0.00 C ATOM 606 O ASP A 39 -0.916 5.878 -14.723 1.00 0.00 O ATOM 607 CB ASP A 39 1.878 6.693 -15.160 1.00 0.00 C ATOM 608 CG ASP A 39 1.420 8.047 -15.714 1.00 0.00 C ATOM 609 OD1 ASP A 39 0.861 8.889 -14.976 1.00 0.00 O ATOM 610 OD2 ASP A 39 1.683 8.295 -16.911 1.00 0.00 O ATOM 0 H ASP A 39 2.051 4.238 -13.776 1.00 0.00 H new ATOM 0 HA ASP A 39 1.334 7.100 -13.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.966 6.712 -15.094 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.617 5.929 -15.892 1.00 0.00 H new ATOM 615 N ASP A 40 -0.686 5.355 -12.550 1.00 0.00 N ATOM 616 CA ASP A 40 -2.099 4.889 -12.361 1.00 0.00 C ATOM 617 C ASP A 40 -2.599 5.121 -10.853 1.00 0.00 C ATOM 618 O ASP A 40 -1.809 5.559 -10.002 1.00 0.00 O ATOM 619 CB ASP A 40 -2.197 3.415 -12.899 1.00 0.00 C ATOM 620 CG ASP A 40 -3.361 3.033 -13.818 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.065 3.908 -14.364 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.604 1.816 -13.960 1.00 0.00 O ATOM 0 H ASP A 40 -0.126 5.308 -11.698 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.802 5.485 -12.943 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.272 3.198 -13.433 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.229 2.751 -12.035 1.00 0.00 H new ATOM 627 N PRO A 41 -3.897 4.919 -10.450 1.00 0.00 N ATOM 628 CA PRO A 41 -4.440 5.345 -9.124 1.00 0.00 C ATOM 629 C PRO A 41 -3.867 4.726 -7.801 1.00 0.00 C ATOM 630 O PRO A 41 -3.851 3.507 -7.593 1.00 0.00 O ATOM 631 CB PRO A 41 -5.949 5.038 -9.257 1.00 0.00 C ATOM 632 CG PRO A 41 -6.252 4.995 -10.753 1.00 0.00 C ATOM 633 CD PRO A 41 -4.955 4.513 -11.382 1.00 0.00 C ATOM 0 HA PRO A 41 -4.147 6.384 -8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.195 4.087 -8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.546 5.804 -8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.077 4.318 -10.973 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.537 5.977 -11.130 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.963 3.432 -11.520 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.805 4.959 -12.365 1.00 0.00 H new ATOM 641 N VAL A 42 -3.488 5.594 -6.850 1.00 0.00 N ATOM 642 CA VAL A 42 -2.760 5.199 -5.604 1.00 0.00 C ATOM 643 C VAL A 42 -3.575 5.537 -4.307 1.00 0.00 C ATOM 644 O VAL A 42 -3.802 6.707 -3.987 1.00 0.00 O ATOM 645 CB VAL A 42 -1.295 5.775 -5.636 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.177 7.308 -5.831 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.461 5.389 -4.392 1.00 0.00 C ATOM 0 H VAL A 42 -3.672 6.595 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.663 4.114 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.892 5.297 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.125 7.594 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.636 7.591 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.687 7.819 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.538 5.817 -4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.946 5.774 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.386 4.304 -4.327 1.00 0.00 H new ATOM 657 N VAL A 43 -3.967 4.517 -3.528 1.00 0.00 N ATOM 658 CA VAL A 43 -4.734 4.685 -2.254 1.00 0.00 C ATOM 659 C VAL A 43 -3.763 4.908 -1.042 1.00 0.00 C ATOM 660 O VAL A 43 -2.869 4.105 -0.779 1.00 0.00 O ATOM 661 CB VAL A 43 -5.740 3.491 -2.069 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.601 3.627 -0.788 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.716 3.299 -3.264 1.00 0.00 C ATOM 0 H VAL A 43 -3.767 3.542 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.342 5.588 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.087 2.621 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.277 2.775 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.951 3.654 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.182 4.548 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.378 2.457 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.310 4.203 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.146 3.102 -4.172 1.00 0.00 H new ATOM 673 N LEU A 44 -3.913 5.999 -0.288 1.00 0.00 N ATOM 674 CA LEU A 44 -2.999 6.353 0.842 1.00 0.00 C ATOM 675 C LEU A 44 -3.735 7.131 1.986 1.00 0.00 C ATOM 676 O LEU A 44 -4.931 7.434 1.901 1.00 0.00 O ATOM 677 CB LEU A 44 -1.709 7.007 0.245 1.00 0.00 C ATOM 678 CG LEU A 44 -1.811 8.299 -0.617 1.00 0.00 C ATOM 679 CD1 LEU A 44 -2.233 9.532 0.192 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.473 8.545 -1.337 1.00 0.00 C ATOM 0 H LEU A 44 -4.666 6.673 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.663 5.464 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.043 7.227 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.216 6.250 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.601 8.139 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.285 10.399 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.211 9.356 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.502 9.718 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.545 9.450 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.321 8.663 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.245 7.696 -1.982 1.00 0.00 H new ATOM 692 N GLY A 45 -3.045 7.450 3.098 1.00 0.00 N ATOM 693 CA GLY A 45 -3.666 8.220 4.212 1.00 0.00 C ATOM 694 C GLY A 45 -3.489 9.745 4.167 1.00 0.00 C ATOM 695 O GLY A 45 -2.541 10.288 3.596 1.00 0.00 O ATOM 0 H GLY A 45 -2.070 7.194 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.733 8.000 4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.252 7.855 5.152 1.00 0.00 H new ATOM 699 N ARG A 46 -4.388 10.446 4.863 1.00 0.00 N ATOM 700 CA ARG A 46 -4.259 11.930 5.065 1.00 0.00 C ATOM 701 C ARG A 46 -2.962 12.493 5.764 1.00 0.00 C ATOM 702 O ARG A 46 -2.690 13.689 5.650 1.00 0.00 O ATOM 703 CB ARG A 46 -5.583 12.433 5.719 1.00 0.00 C ATOM 704 CG ARG A 46 -5.811 12.108 7.224 1.00 0.00 C ATOM 705 CD ARG A 46 -5.210 13.162 8.173 1.00 0.00 C ATOM 706 NE ARG A 46 -5.030 12.591 9.536 1.00 0.00 N ATOM 707 CZ ARG A 46 -4.590 13.270 10.589 1.00 0.00 C ATOM 708 NH1 ARG A 46 -4.383 14.557 10.573 1.00 0.00 N ATOM 709 NH2 ARG A 46 -4.354 12.621 11.685 1.00 0.00 N ATOM 0 H ARG A 46 -5.212 10.034 5.300 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.106 12.350 4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.627 13.515 5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.417 12.015 5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.881 12.027 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.374 11.135 7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.250 13.504 7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.864 14.033 8.220 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.261 11.607 9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.560 15.091 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.044 15.029 11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.507 11.613 11.724 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.015 13.118 12.509 1.00 0.00 H new ATOM 723 N THR A 47 -2.224 11.658 6.509 1.00 0.00 N ATOM 724 CA THR A 47 -0.851 11.963 7.021 1.00 0.00 C ATOM 725 C THR A 47 0.257 11.842 5.916 1.00 0.00 C ATOM 726 O THR A 47 0.887 12.847 5.580 1.00 0.00 O ATOM 727 CB THR A 47 -0.554 11.087 8.288 1.00 0.00 C ATOM 728 OG1 THR A 47 -0.895 9.708 8.068 1.00 0.00 O ATOM 729 CG2 THR A 47 -1.249 11.523 9.595 1.00 0.00 C ATOM 0 H THR A 47 -2.556 10.734 6.785 1.00 0.00 H new ATOM 0 HA THR A 47 -0.823 13.011 7.319 1.00 0.00 H new ATOM 0 HB THR A 47 0.517 11.232 8.427 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.696 9.189 8.875 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.969 10.844 10.400 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.940 12.536 9.851 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.330 11.497 9.458 1.00 0.00 H new ATOM 737 N THR A 48 0.410 10.661 5.285 1.00 0.00 N ATOM 738 CA THR A 48 1.161 10.434 3.996 1.00 0.00 C ATOM 739 C THR A 48 1.058 11.552 2.886 1.00 0.00 C ATOM 740 O THR A 48 2.071 11.943 2.299 1.00 0.00 O ATOM 741 CB THR A 48 0.707 9.039 3.431 1.00 0.00 C ATOM 742 OG1 THR A 48 0.633 8.041 4.445 1.00 0.00 O ATOM 743 CG2 THR A 48 1.618 8.430 2.355 1.00 0.00 C ATOM 0 H THR A 48 0.008 9.800 5.656 1.00 0.00 H new ATOM 0 HA THR A 48 2.219 10.470 4.255 1.00 0.00 H new ATOM 0 HB THR A 48 -0.263 9.284 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.239 7.225 4.073 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.212 7.470 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.672 9.104 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.617 8.284 2.765 1.00 0.00 H new ATOM 751 N PHE A 49 -0.155 12.080 2.628 1.00 0.00 N ATOM 752 CA PHE A 49 -0.404 13.308 1.805 1.00 0.00 C ATOM 753 C PHE A 49 0.529 14.556 2.007 1.00 0.00 C ATOM 754 O PHE A 49 0.944 15.172 1.024 1.00 0.00 O ATOM 755 CB PHE A 49 -1.896 13.689 2.050 1.00 0.00 C ATOM 756 CG PHE A 49 -2.494 14.702 1.053 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.361 16.077 1.273 1.00 0.00 C ATOM 758 CD2 PHE A 49 -3.141 14.258 -0.101 1.00 0.00 C ATOM 759 CE1 PHE A 49 -2.841 16.992 0.336 1.00 0.00 C ATOM 760 CE2 PHE A 49 -3.643 15.168 -1.029 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.485 16.534 -0.814 1.00 0.00 C ATOM 0 H PHE A 49 -1.015 11.665 2.988 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.161 13.038 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.495 12.779 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.988 14.098 3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.884 16.432 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.254 13.198 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.715 18.052 0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.153 14.814 -1.913 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.862 17.241 -1.539 1.00 0.00 H new ATOM 771 N GLU A 50 0.819 14.963 3.256 1.00 0.00 N ATOM 772 CA GLU A 50 1.742 16.104 3.545 1.00 0.00 C ATOM 773 C GLU A 50 3.257 15.851 3.168 1.00 0.00 C ATOM 774 O GLU A 50 3.947 16.810 2.814 1.00 0.00 O ATOM 775 CB GLU A 50 1.487 16.628 4.996 1.00 0.00 C ATOM 776 CG GLU A 50 0.012 17.053 5.309 1.00 0.00 C ATOM 777 CD GLU A 50 -0.307 17.846 6.574 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.282 18.926 6.786 1.00 0.00 O ATOM 779 OE2 GLU A 50 -1.232 17.440 7.314 1.00 0.00 O ATOM 0 H GLU A 50 0.432 14.525 4.092 1.00 0.00 H new ATOM 0 HA GLU A 50 1.497 16.915 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.780 15.850 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.139 17.483 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.342 17.640 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.587 16.143 5.338 1.00 0.00 H new ATOM 786 N SER A 51 3.762 14.597 3.097 1.00 0.00 N ATOM 787 CA SER A 51 4.911 14.230 2.208 1.00 0.00 C ATOM 788 C SER A 51 4.651 14.390 0.662 1.00 0.00 C ATOM 789 O SER A 51 5.392 15.103 -0.016 1.00 0.00 O ATOM 790 CB SER A 51 5.385 12.798 2.579 1.00 0.00 C ATOM 791 OG SER A 51 6.560 12.429 1.850 1.00 0.00 O ATOM 0 H SER A 51 3.398 13.815 3.642 1.00 0.00 H new ATOM 0 HA SER A 51 5.702 14.956 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.588 12.747 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.588 12.084 2.371 1.00 0.00 H new ATOM 0 HG SER A 51 6.834 11.524 2.107 1.00 0.00 H new ATOM 797 N MET A 52 3.613 13.738 0.113 1.00 0.00 N ATOM 798 CA MET A 52 3.289 13.730 -1.356 1.00 0.00 C ATOM 799 C MET A 52 2.767 15.047 -2.048 1.00 0.00 C ATOM 800 O MET A 52 2.460 15.017 -3.241 1.00 0.00 O ATOM 801 CB MET A 52 2.251 12.591 -1.606 1.00 0.00 C ATOM 802 CG MET A 52 2.621 11.169 -1.145 1.00 0.00 C ATOM 803 SD MET A 52 4.205 10.650 -1.826 1.00 0.00 S ATOM 804 CE MET A 52 4.441 9.233 -0.745 1.00 0.00 C ATOM 0 H MET A 52 2.956 13.190 0.669 1.00 0.00 H new ATOM 0 HA MET A 52 4.262 13.592 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.320 12.872 -1.113 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.046 12.554 -2.676 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.663 11.137 -0.056 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.844 10.471 -1.455 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.383 8.742 -0.989 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.464 9.567 0.292 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.619 8.530 -0.882 1.00 0.00 H new ATOM 814 N ARG A 53 2.662 16.200 -1.355 1.00 0.00 N ATOM 815 CA ARG A 53 2.284 17.500 -1.999 1.00 0.00 C ATOM 816 C ARG A 53 3.271 18.143 -3.049 1.00 0.00 C ATOM 817 O ARG A 53 2.838 19.025 -3.793 1.00 0.00 O ATOM 818 CB ARG A 53 1.728 18.475 -0.908 1.00 0.00 C ATOM 819 CG ARG A 53 2.614 19.005 0.258 1.00 0.00 C ATOM 820 CD ARG A 53 3.955 19.633 -0.175 1.00 0.00 C ATOM 821 NE ARG A 53 4.615 20.454 0.883 1.00 0.00 N ATOM 822 CZ ARG A 53 5.523 20.006 1.742 1.00 0.00 C ATOM 823 NH1 ARG A 53 5.750 18.750 1.970 1.00 0.00 N ATOM 824 NH2 ARG A 53 6.216 20.868 2.413 1.00 0.00 N ATOM 0 H ARG A 53 2.831 16.269 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 53 1.488 17.251 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.346 19.350 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.872 17.979 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.046 19.748 0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.820 18.181 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.635 18.837 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.785 20.258 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 53 4.347 21.436 0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.215 18.037 1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.464 18.475 2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.059 21.866 2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.920 20.549 3.079 1.00 0.00 H new ATOM 838 N ASP A 54 4.541 17.707 -3.129 1.00 0.00 N ATOM 839 CA ASP A 54 5.507 18.132 -4.189 1.00 0.00 C ATOM 840 C ASP A 54 5.599 17.099 -5.388 1.00 0.00 C ATOM 841 O ASP A 54 5.446 17.482 -6.553 1.00 0.00 O ATOM 842 CB ASP A 54 6.893 18.410 -3.525 1.00 0.00 C ATOM 843 CG ASP A 54 7.033 19.501 -2.443 1.00 0.00 C ATOM 844 OD1 ASP A 54 6.098 20.300 -2.212 1.00 0.00 O ATOM 845 OD2 ASP A 54 8.108 19.562 -1.803 1.00 0.00 O ATOM 0 H ASP A 54 4.940 17.046 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 54 5.143 19.052 -4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.233 17.473 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.590 18.658 -4.325 1.00 0.00 H new ATOM 850 N ASP A 55 5.844 15.805 -5.104 1.00 0.00 N ATOM 851 CA ASP A 55 5.837 14.690 -6.098 1.00 0.00 C ATOM 852 C ASP A 55 4.555 13.799 -5.875 1.00 0.00 C ATOM 853 O ASP A 55 4.432 13.141 -4.832 1.00 0.00 O ATOM 854 CB ASP A 55 7.177 13.951 -5.820 1.00 0.00 C ATOM 855 CG ASP A 55 7.523 12.708 -6.628 1.00 0.00 C ATOM 856 OD1 ASP A 55 7.504 12.718 -7.876 1.00 0.00 O ATOM 857 OD2 ASP A 55 7.898 11.703 -5.988 1.00 0.00 O ATOM 0 H ASP A 55 6.058 15.488 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 55 5.781 15.001 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.984 14.670 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.184 13.670 -4.767 1.00 0.00 H new ATOM 862 N LEU A 56 3.605 13.758 -6.835 1.00 0.00 N ATOM 863 CA LEU A 56 2.457 12.793 -6.791 1.00 0.00 C ATOM 864 C LEU A 56 2.894 11.353 -7.285 1.00 0.00 C ATOM 865 O LEU A 56 3.278 11.244 -8.454 1.00 0.00 O ATOM 866 CB LEU A 56 1.223 13.314 -7.599 1.00 0.00 C ATOM 867 CG LEU A 56 0.138 14.118 -6.826 1.00 0.00 C ATOM 868 CD1 LEU A 56 0.595 15.525 -6.397 1.00 0.00 C ATOM 869 CD2 LEU A 56 -1.128 14.243 -7.697 1.00 0.00 C ATOM 0 H LEU A 56 3.600 14.373 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 56 2.150 12.711 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.594 13.943 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.738 12.454 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.064 13.560 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.215 16.024 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.463 15.442 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.860 16.106 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.888 14.806 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.883 14.763 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.510 13.249 -7.929 1.00 0.00 H new ATOM 881 N PRO A 57 2.825 10.228 -6.497 1.00 0.00 N ATOM 882 CA PRO A 57 3.323 8.891 -6.964 1.00 0.00 C ATOM 883 C PRO A 57 2.795 8.211 -8.274 1.00 0.00 C ATOM 884 O PRO A 57 3.549 7.485 -8.922 1.00 0.00 O ATOM 885 CB PRO A 57 3.098 8.009 -5.718 1.00 0.00 C ATOM 886 CG PRO A 57 3.153 8.962 -4.523 1.00 0.00 C ATOM 887 CD PRO A 57 2.576 10.275 -5.043 1.00 0.00 C ATOM 0 HA PRO A 57 4.344 9.035 -7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.136 7.498 -5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.865 7.238 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.571 8.579 -3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.175 9.092 -4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.511 10.357 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.064 11.134 -4.583 1.00 0.00 H new ATOM 895 N GLY A 58 1.527 8.427 -8.621 1.00 0.00 N ATOM 896 CA GLY A 58 0.963 8.061 -9.950 1.00 0.00 C ATOM 897 C GLY A 58 -0.227 8.962 -10.364 1.00 0.00 C ATOM 898 O GLY A 58 -0.460 10.045 -9.809 1.00 0.00 O ATOM 0 H GLY A 58 0.847 8.862 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.747 8.132 -10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.636 7.022 -9.927 1.00 0.00 H new ATOM 902 N SER A 59 -0.981 8.512 -11.368 1.00 0.00 N ATOM 903 CA SER A 59 -1.965 9.373 -12.091 1.00 0.00 C ATOM 904 C SER A 59 -3.396 9.589 -11.470 1.00 0.00 C ATOM 905 O SER A 59 -4.211 10.290 -12.069 1.00 0.00 O ATOM 906 CB SER A 59 -2.053 8.868 -13.553 1.00 0.00 C ATOM 907 OG SER A 59 -2.072 9.960 -14.470 1.00 0.00 O ATOM 0 H SER A 59 -0.941 7.553 -11.713 1.00 0.00 H new ATOM 0 HA SER A 59 -1.560 10.381 -12.005 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.203 8.221 -13.770 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.953 8.266 -13.680 1.00 0.00 H new ATOM 0 HG SER A 59 -1.209 10.015 -14.931 1.00 0.00 H new ATOM 913 N ALA A 60 -3.743 9.065 -10.275 1.00 0.00 N ATOM 914 CA ALA A 60 -4.919 9.554 -9.503 1.00 0.00 C ATOM 915 C ALA A 60 -4.716 9.357 -7.969 1.00 0.00 C ATOM 916 O ALA A 60 -4.838 8.244 -7.448 1.00 0.00 O ATOM 917 CB ALA A 60 -6.210 8.905 -10.037 1.00 0.00 C ATOM 0 H ALA A 60 -3.233 8.308 -9.821 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.019 10.630 -9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.064 9.269 -9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.340 9.164 -11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.141 7.822 -9.936 1.00 0.00 H new ATOM 923 N GLN A 61 -4.386 10.433 -7.229 1.00 0.00 N ATOM 924 CA GLN A 61 -3.936 10.320 -5.810 1.00 0.00 C ATOM 925 C GLN A 61 -5.148 10.220 -4.823 1.00 0.00 C ATOM 926 O GLN A 61 -5.813 11.208 -4.483 1.00 0.00 O ATOM 927 CB GLN A 61 -2.935 11.483 -5.542 1.00 0.00 C ATOM 928 CG GLN A 61 -1.944 11.278 -4.362 1.00 0.00 C ATOM 929 CD GLN A 61 -2.272 11.946 -3.020 1.00 0.00 C ATOM 930 OE1 GLN A 61 -3.415 12.120 -2.607 1.00 0.00 O ATOM 931 NE2 GLN A 61 -1.256 12.310 -2.278 1.00 0.00 N ATOM 0 H GLN A 61 -4.419 11.390 -7.580 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.404 9.387 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.356 11.653 -6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.508 12.391 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.850 10.206 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.965 11.635 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.303 12.169 -2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.418 12.734 -1.365 1.00 0.00 H new ATOM 940 N ILE A 62 -5.485 8.984 -4.429 1.00 0.00 N ATOM 941 CA ILE A 62 -6.666 8.667 -3.584 1.00 0.00 C ATOM 942 C ILE A 62 -6.241 8.787 -2.074 1.00 0.00 C ATOM 943 O ILE A 62 -5.271 8.167 -1.632 1.00 0.00 O ATOM 944 CB ILE A 62 -7.301 7.275 -3.980 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.739 7.186 -5.475 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.511 6.917 -3.074 1.00 0.00 C ATOM 947 CD1 ILE A 62 -8.065 5.776 -6.020 1.00 0.00 C ATOM 0 H ILE A 62 -4.944 8.159 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.469 9.384 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.499 6.552 -3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.619 7.815 -5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.945 7.613 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.920 5.953 -3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.184 6.862 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.279 7.684 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.356 5.849 -7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.185 5.139 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.885 5.344 -5.445 1.00 0.00 H new ATOM 959 N VAL A 63 -6.976 9.571 -1.271 1.00 0.00 N ATOM 960 CA VAL A 63 -6.544 9.974 0.102 1.00 0.00 C ATOM 961 C VAL A 63 -7.672 9.753 1.171 1.00 0.00 C ATOM 962 O VAL A 63 -8.570 10.585 1.353 1.00 0.00 O ATOM 963 CB VAL A 63 -5.921 11.417 0.076 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.783 12.531 -0.562 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.475 11.879 1.485 1.00 0.00 C ATOM 0 H VAL A 63 -7.884 9.949 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.745 9.311 0.434 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.064 11.287 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.244 13.478 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.992 12.279 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.722 12.623 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.050 12.881 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.336 11.891 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.724 11.190 1.873 1.00 0.00 H new ATOM 975 N MET A 64 -7.605 8.660 1.951 1.00 0.00 N ATOM 976 CA MET A 64 -8.571 8.398 3.056 1.00 0.00 C ATOM 977 C MET A 64 -8.413 9.345 4.297 1.00 0.00 C ATOM 978 O MET A 64 -7.315 9.543 4.835 1.00 0.00 O ATOM 979 CB MET A 64 -8.496 6.908 3.469 1.00 0.00 C ATOM 980 CG MET A 64 -9.254 5.941 2.544 1.00 0.00 C ATOM 981 SD MET A 64 -9.669 4.451 3.479 1.00 0.00 S ATOM 982 CE MET A 64 -11.425 4.304 3.118 1.00 0.00 C ATOM 0 H MET A 64 -6.894 7.937 1.844 1.00 0.00 H new ATOM 0 HA MET A 64 -9.562 8.626 2.663 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.449 6.608 3.504 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.891 6.806 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.160 6.413 2.164 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.641 5.686 1.680 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.866 3.541 3.760 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.915 5.260 3.302 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.559 4.022 2.074 1.00 0.00 H new ATOM 992 N SER A 65 -9.532 9.944 4.748 1.00 0.00 N ATOM 993 CA SER A 65 -9.515 11.055 5.742 1.00 0.00 C ATOM 994 C SER A 65 -10.763 11.044 6.682 1.00 0.00 C ATOM 995 O SER A 65 -11.904 11.155 6.230 1.00 0.00 O ATOM 996 CB SER A 65 -9.401 12.391 4.963 1.00 0.00 C ATOM 997 OG SER A 65 -9.070 13.477 5.830 1.00 0.00 O ATOM 0 H SER A 65 -10.469 9.681 4.442 1.00 0.00 H new ATOM 0 HA SER A 65 -8.657 10.928 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.640 12.298 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.344 12.601 4.459 1.00 0.00 H new ATOM 0 HG SER A 65 -9.004 14.304 5.308 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.776 17.795 -1.443 1.00 0.00 N ATOM 1089 CA PHE A 71 -8.470 18.494 -1.632 1.00 0.00 C ATOM 1090 C PHE A 71 -8.401 19.070 -3.084 1.00 0.00 C ATOM 1091 O PHE A 71 -8.533 18.321 -4.059 1.00 0.00 O ATOM 1092 CB PHE A 71 -7.294 17.513 -1.353 1.00 0.00 C ATOM 1093 CG PHE A 71 -7.127 17.007 0.096 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -6.369 17.723 1.029 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -7.666 15.771 0.466 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -6.138 17.201 2.301 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -7.450 15.255 1.742 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.683 15.970 2.658 1.00 0.00 C ATOM 0 HA PHE A 71 -8.385 19.321 -0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.416 16.646 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.367 18.004 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.960 18.686 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.256 15.211 -0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.536 17.751 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.877 14.303 2.020 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.511 15.570 3.646 1.00 0.00 H new ATOM 1108 N SER A 72 -8.176 20.385 -3.244 1.00 0.00 N ATOM 1109 CA SER A 72 -8.032 21.020 -4.592 1.00 0.00 C ATOM 1110 C SER A 72 -6.602 20.853 -5.221 1.00 0.00 C ATOM 1111 O SER A 72 -5.749 21.743 -5.122 1.00 0.00 O ATOM 1112 CB SER A 72 -8.484 22.499 -4.481 1.00 0.00 C ATOM 1113 OG SER A 72 -7.553 23.270 -3.714 1.00 0.00 O ATOM 0 H SER A 72 -8.088 21.039 -2.466 1.00 0.00 H new ATOM 0 HA SER A 72 -8.677 20.497 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.581 22.928 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.469 22.547 -4.017 1.00 0.00 H new ATOM 0 HG SER A 72 -6.641 23.081 -4.020 1.00 0.00 H new ATOM 1119 N VAL A 73 -6.375 19.696 -5.853 1.00 0.00 N ATOM 1120 CA VAL A 73 -5.136 19.392 -6.647 1.00 0.00 C ATOM 1121 C VAL A 73 -5.581 19.061 -8.134 1.00 0.00 C ATOM 1122 O VAL A 73 -6.721 19.317 -8.552 1.00 0.00 O ATOM 1123 CB VAL A 73 -4.254 18.288 -5.914 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.772 18.248 -6.384 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -4.167 18.353 -4.363 1.00 0.00 C ATOM 0 H VAL A 73 -7.041 18.924 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.463 20.247 -6.710 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.821 17.404 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.238 17.470 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.735 18.032 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.303 19.213 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.535 17.543 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.739 19.309 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.166 18.252 -3.938 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.693 18.482 -8.950 1.00 0.00 N ATOM 1136 CA ASP A 74 -4.938 18.186 -10.394 1.00 0.00 C ATOM 1137 C ASP A 74 -5.921 16.977 -10.636 1.00 0.00 C ATOM 1138 O ASP A 74 -6.961 17.115 -11.292 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.538 17.993 -11.053 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.653 19.241 -11.101 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -1.928 19.484 -10.113 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -2.702 19.989 -12.100 1.00 0.00 O ATOM 0 H ASP A 74 -3.766 18.196 -8.636 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.464 19.017 -10.863 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.005 17.212 -10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.682 17.632 -12.071 1.00 0.00 H new ATOM 1147 N THR A 75 -5.604 15.799 -10.073 1.00 0.00 N ATOM 1148 CA THR A 75 -6.474 14.574 -10.116 1.00 0.00 C ATOM 1149 C THR A 75 -6.464 13.761 -8.766 1.00 0.00 C ATOM 1150 O THR A 75 -6.380 12.530 -8.735 1.00 0.00 O ATOM 1151 CB THR A 75 -6.156 13.747 -11.402 1.00 0.00 C ATOM 1152 OG1 THR A 75 -6.926 12.551 -11.461 1.00 0.00 O ATOM 1153 CG2 THR A 75 -4.692 13.317 -11.570 1.00 0.00 C ATOM 0 H THR A 75 -4.731 15.651 -9.566 1.00 0.00 H new ATOM 0 HA THR A 75 -7.517 14.879 -10.198 1.00 0.00 H new ATOM 0 HB THR A 75 -6.404 14.447 -12.200 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.989 12.158 -10.565 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.583 12.750 -12.494 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.055 14.201 -11.610 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.396 12.695 -10.725 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.643 14.444 -7.623 1.00 0.00 N ATOM 1162 CA ALA A 76 -6.732 13.792 -6.293 1.00 0.00 C ATOM 1163 C ALA A 76 -8.206 13.586 -5.802 1.00 0.00 C ATOM 1164 O ALA A 76 -9.105 14.392 -6.082 1.00 0.00 O ATOM 1165 CB ALA A 76 -5.897 14.667 -5.344 1.00 0.00 C ATOM 0 H ALA A 76 -6.731 15.460 -7.588 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.341 12.775 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.920 14.241 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.867 14.707 -5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.311 15.675 -5.320 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.481 12.479 -5.089 1.00 0.00 N ATOM 1172 CA HIS A 77 -9.850 12.166 -4.575 1.00 0.00 C ATOM 1173 C HIS A 77 -9.807 11.644 -3.101 1.00 0.00 C ATOM 1174 O HIS A 77 -9.160 10.637 -2.816 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.539 11.108 -5.488 1.00 0.00 C ATOM 1176 CG HIS A 77 -11.089 11.584 -6.838 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.447 11.587 -7.131 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.351 11.864 -8.010 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.425 11.859 -8.473 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -11.215 12.053 -9.084 1.00 0.00 N ATOM 0 H HIS A 77 -7.780 11.778 -4.849 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.426 13.091 -4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.820 10.311 -5.680 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.362 10.666 -4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.274 11.923 -8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.343 11.919 -9.038 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.005 12.275 -10.057 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.553 12.262 -2.172 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.765 11.678 -0.810 1.00 0.00 C ATOM 1191 C ARG A 78 -11.710 10.414 -0.805 1.00 0.00 C ATOM 1192 O ARG A 78 -12.679 10.355 -1.566 1.00 0.00 O ATOM 1193 CB ARG A 78 -11.227 12.859 0.111 1.00 0.00 C ATOM 1194 CG ARG A 78 -11.788 12.510 1.527 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.085 13.212 2.021 1.00 0.00 C ATOM 1196 NE ARG A 78 -14.235 13.432 1.096 1.00 0.00 N ATOM 1197 CZ ARG A 78 -14.995 12.495 0.541 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -14.655 11.257 0.482 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -16.131 12.845 0.032 1.00 0.00 N ATOM 0 H ARG A 78 -11.020 13.156 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.840 11.256 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.378 13.530 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.995 13.418 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.966 11.435 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.003 12.722 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.460 12.634 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.793 14.189 2.407 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.460 14.400 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.763 10.954 0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.277 10.578 0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.424 13.821 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.734 12.145 -0.400 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.472 9.450 0.106 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.501 8.439 0.516 1.00 0.00 C ATOM 1215 C ALA A 79 -12.764 8.359 2.069 1.00 0.00 C ATOM 1216 O ALA A 79 -11.969 8.844 2.885 1.00 0.00 O ATOM 1217 CB ALA A 79 -12.090 7.102 -0.120 1.00 0.00 C ATOM 0 H ALA A 79 -10.576 9.339 0.581 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.479 8.746 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.813 6.332 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.063 7.208 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.102 6.816 0.241 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.901 7.767 2.473 1.00 0.00 N ATOM 1224 CA ALA A 80 -14.277 7.527 3.900 1.00 0.00 C ATOM 1225 C ALA A 80 -14.506 6.017 4.250 1.00 0.00 C ATOM 1226 O ALA A 80 -13.892 5.500 5.188 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.519 8.399 4.203 1.00 0.00 C ATOM 0 H ALA A 80 -14.605 7.432 1.815 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.443 7.814 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.824 8.250 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.274 9.449 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.335 8.113 3.540 1.00 0.00 H new ATOM 1233 N SER A 81 -15.386 5.323 3.510 1.00 0.00 N ATOM 1234 CA SER A 81 -15.656 3.875 3.692 1.00 0.00 C ATOM 1235 C SER A 81 -14.798 2.938 2.763 1.00 0.00 C ATOM 1236 O SER A 81 -14.073 3.393 1.872 1.00 0.00 O ATOM 1237 CB SER A 81 -17.182 3.696 3.439 1.00 0.00 C ATOM 1238 OG SER A 81 -18.019 4.337 4.402 1.00 0.00 O ATOM 0 H SER A 81 -15.936 5.747 2.763 1.00 0.00 H new ATOM 0 HA SER A 81 -15.365 3.570 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.422 4.086 2.450 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.413 2.631 3.426 1.00 0.00 H new ATOM 0 HG SER A 81 -18.959 4.180 4.174 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.936 1.609 2.920 1.00 0.00 N ATOM 1245 CA VAL A 82 -14.479 0.625 1.879 1.00 0.00 C ATOM 1246 C VAL A 82 -15.140 0.858 0.458 1.00 0.00 C ATOM 1247 O VAL A 82 -14.409 0.957 -0.532 1.00 0.00 O ATOM 1248 CB VAL A 82 -14.567 -0.833 2.464 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -14.247 -1.950 1.443 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -13.614 -1.080 3.669 1.00 0.00 C ATOM 0 H VAL A 82 -15.355 1.178 3.745 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.426 0.795 1.652 1.00 0.00 H new ATOM 0 HB VAL A 82 -15.611 -0.888 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.331 -2.922 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.952 -1.897 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.233 -1.819 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.729 -2.106 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.583 -0.917 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.862 -0.391 4.476 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.473 1.009 0.358 1.00 0.00 N ATOM 1261 CA GLU A 83 -17.193 1.428 -0.878 1.00 0.00 C ATOM 1262 C GLU A 83 -16.798 2.794 -1.574 1.00 0.00 C ATOM 1263 O GLU A 83 -16.737 2.819 -2.808 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.732 1.275 -0.658 1.00 0.00 C ATOM 1265 CG GLU A 83 -19.448 1.922 0.575 1.00 0.00 C ATOM 1266 CD GLU A 83 -19.392 1.297 1.975 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -18.419 0.595 2.326 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -20.317 1.575 2.769 1.00 0.00 O ATOM 0 H GLU A 83 -17.100 0.842 1.145 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.831 0.735 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -19.221 1.667 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.943 0.206 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.056 2.935 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -20.502 2.011 0.314 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.481 3.903 -0.855 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.968 5.169 -1.499 1.00 0.00 C ATOM 1277 C GLU A 84 -14.704 4.989 -2.417 1.00 0.00 C ATOM 1278 O GLU A 84 -14.704 5.481 -3.540 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.743 6.376 -0.522 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.940 7.354 -0.323 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.604 8.776 0.126 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -16.251 8.955 1.300 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -16.659 9.741 -0.669 1.00 0.00 O ATOM 0 H GLU A 84 -16.566 3.959 0.160 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.809 5.423 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.466 5.976 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.891 6.952 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.488 7.416 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.616 6.917 0.412 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.639 4.305 -1.955 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.489 3.940 -2.838 1.00 0.00 C ATOM 1292 C ALA A 85 -12.610 2.661 -3.756 1.00 0.00 C ATOM 1293 O ALA A 85 -11.717 2.455 -4.591 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.201 4.056 -1.996 1.00 0.00 C ATOM 0 H ALA A 85 -13.541 3.993 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.473 4.662 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.340 3.796 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.093 5.079 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.259 3.375 -1.147 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.701 1.868 -3.717 1.00 0.00 N ATOM 1301 CA VAL A 86 -14.037 0.879 -4.795 1.00 0.00 C ATOM 1302 C VAL A 86 -14.695 1.574 -6.039 1.00 0.00 C ATOM 1303 O VAL A 86 -14.159 1.461 -7.147 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.836 -0.357 -4.238 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.319 -1.350 -5.326 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -14.007 -1.189 -3.232 1.00 0.00 C ATOM 0 H VAL A 86 -14.375 1.884 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.102 0.459 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.699 0.106 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.860 -2.171 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.979 -0.833 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.458 -1.745 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.603 -2.030 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.108 -1.563 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.725 -0.562 -2.386 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.820 2.294 -5.884 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.559 2.952 -7.003 1.00 0.00 C ATOM 1318 C ASP A 87 -15.765 4.020 -7.853 1.00 0.00 C ATOM 1319 O ASP A 87 -15.946 4.087 -9.074 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.905 3.476 -6.417 1.00 0.00 C ATOM 1321 CG ASP A 87 -19.034 2.453 -6.245 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -18.817 1.376 -5.651 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -20.166 2.751 -6.684 1.00 0.00 O ATOM 0 H ASP A 87 -16.255 2.444 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.735 2.201 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.700 3.921 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.268 4.275 -7.063 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.842 4.827 -7.276 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.784 5.554 -8.058 1.00 0.00 C ATOM 1330 C ILE A 88 -12.689 4.658 -8.744 1.00 0.00 C ATOM 1331 O ILE A 88 -12.324 4.976 -9.868 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.101 6.772 -7.320 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.822 6.525 -5.817 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -13.910 8.075 -7.527 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.658 7.297 -5.183 1.00 0.00 C ATOM 0 H ILE A 88 -14.800 4.998 -6.271 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.401 5.964 -8.858 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.122 6.884 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.729 6.765 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.636 5.460 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.416 8.896 -7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.969 8.302 -8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.916 7.946 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.575 7.030 -4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.730 7.043 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.840 8.368 -5.272 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.175 3.565 -8.147 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.352 2.568 -8.895 1.00 0.00 C ATOM 1349 C ALA A 89 -12.052 1.829 -10.106 1.00 0.00 C ATOM 1350 O ALA A 89 -11.431 1.658 -11.152 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.758 1.614 -7.841 1.00 0.00 C ATOM 0 H ALA A 89 -12.308 3.343 -7.160 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.572 3.106 -9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.144 0.861 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.143 2.181 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.566 1.123 -7.298 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.346 1.466 -9.998 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.196 1.098 -11.171 1.00 0.00 C ATOM 1359 C ALA A 90 -14.562 2.243 -12.194 1.00 0.00 C ATOM 1360 O ALA A 90 -14.686 1.985 -13.394 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.434 0.375 -10.603 1.00 0.00 C ATOM 0 H ALA A 90 -13.838 1.417 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.599 0.454 -11.818 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.092 0.083 -11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.118 -0.514 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.969 1.044 -9.929 1.00 0.00 H new ATOM 1367 N SER A 91 -14.733 3.500 -11.748 1.00 0.00 N ATOM 1368 CA SER A 91 -14.842 4.696 -12.649 1.00 0.00 C ATOM 1369 C SER A 91 -13.537 5.170 -13.377 1.00 0.00 C ATOM 1370 O SER A 91 -13.608 5.742 -14.473 1.00 0.00 O ATOM 1371 CB SER A 91 -15.467 5.868 -11.850 1.00 0.00 C ATOM 1372 OG SER A 91 -16.756 5.551 -11.331 1.00 0.00 O ATOM 0 H SER A 91 -14.801 3.731 -10.757 1.00 0.00 H new ATOM 0 HA SER A 91 -15.476 4.365 -13.472 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.804 6.137 -11.027 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.544 6.743 -12.496 1.00 0.00 H new ATOM 0 HG SER A 91 -16.658 5.007 -10.522 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.354 4.969 -12.777 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.023 5.174 -13.426 1.00 0.00 C ATOM 1380 C LEU A 92 -10.470 3.977 -14.309 1.00 0.00 C ATOM 1381 O LEU A 92 -9.572 4.215 -15.112 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.050 5.588 -12.278 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.278 6.996 -11.631 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.641 7.081 -10.228 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.667 8.107 -12.496 1.00 0.00 C ATOM 0 H LEU A 92 -12.280 4.654 -11.810 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.124 5.949 -14.185 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.116 4.838 -11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.032 5.554 -12.667 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.357 7.131 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.818 8.071 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.087 6.327 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.568 6.906 -10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.840 9.073 -12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.595 7.940 -12.598 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.131 8.097 -13.482 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.001 2.734 -14.177 1.00 0.00 N ATOM 1398 CA ASP A 93 -10.700 1.567 -15.062 1.00 0.00 C ATOM 1399 C ASP A 93 -9.359 0.838 -14.732 1.00 0.00 C ATOM 1400 O ASP A 93 -9.408 -0.239 -14.139 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.006 1.839 -16.564 1.00 0.00 C ATOM 1402 CG ASP A 93 -11.464 0.633 -17.386 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.202 -0.230 -16.861 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -11.118 0.558 -18.582 1.00 0.00 O ATOM 0 H ASP A 93 -11.665 2.505 -13.438 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.427 0.796 -14.807 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.777 2.608 -16.624 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.109 2.250 -17.028 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.190 1.449 -15.048 1.00 0.00 N ATOM 1410 CA ALA A 94 -6.873 1.223 -14.354 1.00 0.00 C ATOM 1411 C ALA A 94 -6.441 -0.222 -13.903 1.00 0.00 C ATOM 1412 O ALA A 94 -7.112 -0.757 -13.016 1.00 0.00 O ATOM 1413 CB ALA A 94 -6.905 2.144 -13.112 1.00 0.00 C ATOM 0 H ALA A 94 -8.123 2.128 -15.806 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.121 1.432 -15.115 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.975 2.034 -12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.017 3.180 -13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.745 1.867 -12.475 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.355 -0.851 -14.406 1.00 0.00 N ATOM 1420 CA GLU A 95 -5.012 -2.297 -14.120 1.00 0.00 C ATOM 1421 C GLU A 95 -5.334 -2.844 -12.670 1.00 0.00 C ATOM 1422 O GLU A 95 -6.336 -3.554 -12.472 1.00 0.00 O ATOM 1423 CB GLU A 95 -3.542 -2.595 -14.543 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.143 -2.406 -16.035 1.00 0.00 C ATOM 1425 CD GLU A 95 -1.942 -3.220 -16.517 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -0.927 -3.325 -15.795 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -2.010 -3.756 -17.642 1.00 0.00 O ATOM 0 H GLU A 95 -4.684 -0.390 -15.020 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.708 -2.865 -14.738 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.890 -1.960 -13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.322 -3.627 -14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.002 -2.662 -16.655 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.932 -1.350 -16.203 1.00 0.00 H new ATOM 1434 N THR A 96 -4.594 -2.367 -11.658 1.00 0.00 N ATOM 1435 CA THR A 96 -4.889 -2.605 -10.215 1.00 0.00 C ATOM 1436 C THR A 96 -4.627 -1.325 -9.339 1.00 0.00 C ATOM 1437 O THR A 96 -3.621 -0.640 -9.530 1.00 0.00 O ATOM 1438 CB THR A 96 -4.172 -3.909 -9.719 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.445 -4.141 -8.341 1.00 0.00 O ATOM 1440 CG2 THR A 96 -2.642 -3.967 -9.853 1.00 0.00 C ATOM 0 H THR A 96 -3.762 -1.797 -11.808 1.00 0.00 H new ATOM 0 HA THR A 96 -5.956 -2.789 -10.093 1.00 0.00 H new ATOM 0 HB THR A 96 -4.585 -4.661 -10.392 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.228 -3.617 -8.070 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.279 -4.922 -9.473 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.365 -3.865 -10.902 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.195 -3.155 -9.279 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.510 -1.000 -8.374 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.337 0.178 -7.466 1.00 0.00 C ATOM 1450 C ALA A 97 -4.673 -0.208 -6.094 1.00 0.00 C ATOM 1451 O ALA A 97 -4.887 -1.315 -5.585 1.00 0.00 O ATOM 1452 CB ALA A 97 -6.747 0.791 -7.311 1.00 0.00 C ATOM 0 H ALA A 97 -6.360 -1.534 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.643 0.906 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.696 1.661 -6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.121 1.094 -8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.420 0.051 -6.878 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.842 0.663 -5.484 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.763 0.196 -4.541 1.00 0.00 C ATOM 1460 C TYR A 98 -2.706 0.946 -3.156 1.00 0.00 C ATOM 1461 O TYR A 98 -2.352 2.128 -3.098 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.365 0.120 -5.257 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.128 0.661 -6.680 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -1.004 2.039 -6.881 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -1.060 -0.195 -7.779 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -0.790 2.544 -8.165 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.825 0.306 -9.062 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.685 1.684 -9.245 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.353 2.185 -10.476 1.00 0.00 O ATOM 0 H TYR A 98 -3.882 1.674 -5.612 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.051 -0.818 -4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.655 0.632 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.081 -0.932 -5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.074 2.714 -6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.191 -1.258 -7.637 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.706 3.610 -8.316 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.752 -0.366 -9.904 1.00 0.00 H new ATOM 0 HH TYR A 98 0.504 1.806 -10.763 1.00 0.00 H new ATOM 1479 N VAL A 99 -2.983 0.244 -2.033 1.00 0.00 N ATOM 1480 CA VAL A 99 -3.006 0.828 -0.645 1.00 0.00 C ATOM 1481 C VAL A 99 -1.575 0.942 -0.014 1.00 0.00 C ATOM 1482 O VAL A 99 -0.988 -0.065 0.387 1.00 0.00 O ATOM 1483 CB VAL A 99 -4.009 0.023 0.269 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -4.038 0.389 1.777 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.474 0.143 -0.210 1.00 0.00 C ATOM 0 H VAL A 99 -3.200 -0.752 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.369 1.853 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.605 -0.984 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.768 -0.237 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.051 0.225 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.315 1.437 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.122 -0.429 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.776 1.190 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.558 -0.247 -1.224 1.00 0.00 H new ATOM 1495 N ILE A 100 -1.041 2.161 0.152 1.00 0.00 N ATOM 1496 CA ILE A 100 0.312 2.409 0.771 1.00 0.00 C ATOM 1497 C ILE A 100 0.440 2.069 2.306 1.00 0.00 C ATOM 1498 O ILE A 100 1.421 1.445 2.724 1.00 0.00 O ATOM 1499 CB ILE A 100 0.747 3.903 0.489 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.736 4.399 -0.994 1.00 0.00 C ATOM 1501 CG2 ILE A 100 2.113 4.339 1.087 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.568 3.618 -2.031 1.00 0.00 C ATOM 0 H ILE A 100 -1.518 3.016 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 100 0.988 1.702 0.290 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.076 4.381 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.299 4.406 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.081 5.433 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.307 5.380 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.086 4.231 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.906 3.711 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.458 4.083 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.618 3.631 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.217 2.587 -2.078 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.456 2.612 3.149 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.153 2.891 4.583 1.00 0.00 C ATOM 1516 C GLY A 101 -0.342 4.396 5.000 1.00 0.00 C ATOM 1517 O GLY A 101 -0.418 5.296 4.166 1.00 0.00 O ATOM 0 H GLY A 101 -1.402 2.871 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.796 2.269 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.875 2.594 4.790 1.00 0.00 H new ATOM 1521 N GLY A 102 -0.405 4.791 6.279 1.00 0.00 N ATOM 1522 CA GLY A 102 -0.129 3.896 7.438 1.00 0.00 C ATOM 1523 C GLY A 102 -1.296 3.045 8.001 1.00 0.00 C ATOM 1524 O GLY A 102 -2.366 2.907 7.403 1.00 0.00 O ATOM 0 H GLY A 102 -0.649 5.743 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.671 3.214 7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.256 4.512 8.250 1.00 0.00 H new ATOM 1528 N ALA A 103 -1.049 2.428 9.170 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.836 1.256 9.649 1.00 0.00 C ATOM 1530 C ALA A 103 -3.388 1.369 9.836 1.00 0.00 C ATOM 1531 O ALA A 103 -4.070 0.387 9.541 1.00 0.00 O ATOM 1532 CB ALA A 103 -1.133 0.651 10.876 1.00 0.00 C ATOM 0 H ALA A 103 -0.309 2.716 9.810 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.828 0.585 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.701 -0.207 11.234 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.128 0.331 10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.071 1.400 11.666 1.00 0.00 H new ATOM 1538 N ALA A 104 -3.987 2.513 10.243 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.474 2.700 10.170 1.00 0.00 C ATOM 1540 C ALA A 104 -6.162 2.624 8.758 1.00 0.00 C ATOM 1541 O ALA A 104 -7.323 2.213 8.674 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.832 4.009 10.900 1.00 0.00 C ATOM 0 H ALA A 104 -3.482 3.314 10.621 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.892 1.820 10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.910 4.165 10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.514 3.944 11.940 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.326 4.845 10.417 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.470 2.997 7.668 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.930 2.727 6.263 1.00 0.00 C ATOM 1550 C ILE A 105 -5.809 1.204 5.855 1.00 0.00 C ATOM 1551 O ILE A 105 -6.738 0.624 5.295 1.00 0.00 O ATOM 1552 CB ILE A 105 -5.236 3.701 5.240 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -5.105 5.198 5.663 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.887 3.631 3.832 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -6.379 5.882 6.210 1.00 0.00 C ATOM 0 H ILE A 105 -4.580 3.492 7.717 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.998 2.940 6.228 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.217 3.314 5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.328 5.269 6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.759 5.766 4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.375 4.320 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.805 2.616 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.939 3.908 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.154 6.917 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.160 5.858 5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.722 5.354 7.099 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.668 0.560 6.152 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.457 -0.903 5.945 1.00 0.00 C ATOM 1569 C TYR A 106 -5.426 -1.856 6.746 1.00 0.00 C ATOM 1570 O TYR A 106 -6.019 -2.744 6.139 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.950 -1.175 6.232 1.00 0.00 C ATOM 1572 CG TYR A 106 -2.246 -2.133 5.268 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -2.377 -3.515 5.402 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.333 -1.619 4.330 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -1.589 -4.381 4.651 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -0.566 -2.484 3.558 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.669 -3.857 3.733 1.00 0.00 C ATOM 1578 OH TYR A 106 0.152 -4.698 3.037 1.00 0.00 O ATOM 0 H TYR A 106 -3.854 1.033 6.545 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.719 -1.152 4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.420 -0.223 6.218 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.859 -1.575 7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -3.099 -3.918 6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.228 -0.551 4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.686 -5.450 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.113 -2.086 2.819 1.00 0.00 H new ATOM 0 HH TYR A 106 0.728 -4.174 2.442 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.635 -1.663 8.072 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.661 -2.390 8.880 1.00 0.00 C ATOM 1590 C ALA A 107 -8.087 -2.561 8.252 1.00 0.00 C ATOM 1591 O ALA A 107 -8.564 -3.684 8.078 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.721 -1.658 10.241 1.00 0.00 C ATOM 0 H ALA A 107 -5.095 -0.994 8.620 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.341 -3.429 8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.457 -2.143 10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.742 -1.697 10.718 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.007 -0.618 10.083 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.753 -1.456 7.880 1.00 0.00 N ATOM 1599 CA LEU A 108 -10.101 -1.513 7.244 1.00 0.00 C ATOM 1600 C LEU A 108 -10.169 -2.096 5.779 1.00 0.00 C ATOM 1601 O LEU A 108 -11.222 -2.613 5.387 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.828 -0.156 7.525 1.00 0.00 C ATOM 1603 CG LEU A 108 -10.986 0.921 6.415 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -11.806 2.088 6.986 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -9.653 1.459 5.883 1.00 0.00 C ATOM 0 H LEU A 108 -8.391 -0.510 8.003 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.684 -2.302 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.831 -0.400 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.306 0.318 8.356 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.486 0.444 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.928 2.855 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.786 1.726 7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.286 2.512 7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.844 2.206 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.093 1.915 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.073 0.639 5.459 1.00 0.00 H new ATOM 1617 N PHE A 109 -9.074 -2.035 5.002 1.00 0.00 N ATOM 1618 CA PHE A 109 -8.986 -2.611 3.635 1.00 0.00 C ATOM 1619 C PHE A 109 -8.456 -4.077 3.509 1.00 0.00 C ATOM 1620 O PHE A 109 -8.965 -4.789 2.641 1.00 0.00 O ATOM 1621 CB PHE A 109 -8.193 -1.605 2.750 1.00 0.00 C ATOM 1622 CG PHE A 109 -9.052 -0.582 1.991 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -10.037 -1.012 1.092 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -8.826 0.790 2.148 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.818 -0.094 0.401 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.589 1.708 1.431 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.589 1.267 0.573 1.00 0.00 C ATOM 0 H PHE A 109 -8.212 -1.581 5.302 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.010 -2.736 3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.489 -1.065 3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.604 -2.168 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -10.191 -2.069 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.060 1.137 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.597 -0.435 -0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.403 2.766 1.542 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.192 1.985 0.037 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.480 -4.555 4.306 1.00 0.00 N ATOM 1638 CA GLN A 110 -6.971 -5.965 4.218 1.00 0.00 C ATOM 1639 C GLN A 110 -8.041 -7.146 4.186 1.00 0.00 C ATOM 1640 O GLN A 110 -7.874 -8.003 3.311 1.00 0.00 O ATOM 1641 CB GLN A 110 -5.730 -6.148 5.144 1.00 0.00 C ATOM 1642 CG GLN A 110 -5.949 -6.158 6.681 1.00 0.00 C ATOM 1643 CD GLN A 110 -4.713 -6.200 7.582 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -3.554 -6.211 7.180 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -4.942 -6.233 8.867 1.00 0.00 N ATOM 0 H GLN A 110 -7.019 -3.995 5.023 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.624 -6.096 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.248 -7.087 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.024 -5.350 4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -6.523 -5.269 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -6.569 -7.021 6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -5.901 -6.224 9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.162 -6.267 9.523 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.204 -7.192 4.921 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.318 -8.148 4.613 1.00 0.00 C ATOM 1656 C PRO A 111 -11.051 -8.071 3.217 1.00 0.00 C ATOM 1657 O PRO A 111 -11.754 -9.011 2.836 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.285 -7.899 5.792 1.00 0.00 C ATOM 1659 CG PRO A 111 -10.422 -7.285 6.899 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.468 -6.383 6.130 1.00 0.00 C ATOM 0 HA PRO A 111 -9.906 -9.152 4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.092 -7.226 5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.748 -8.828 6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.023 -6.722 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.888 -8.049 7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.919 -5.421 5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.557 -6.176 6.692 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.916 -6.966 2.474 1.00 0.00 N ATOM 1669 CA HIS A 112 -11.415 -6.819 1.072 1.00 0.00 C ATOM 1670 C HIS A 112 -10.334 -6.874 -0.078 1.00 0.00 C ATOM 1671 O HIS A 112 -10.737 -7.047 -1.230 1.00 0.00 O ATOM 1672 CB HIS A 112 -12.235 -5.490 1.080 1.00 0.00 C ATOM 1673 CG HIS A 112 -13.128 -5.251 -0.141 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.463 -5.617 -0.191 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -12.719 -4.758 -1.400 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -14.757 -5.334 -1.503 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -13.774 -4.810 -2.302 1.00 0.00 N ATOM 0 H HIS A 112 -10.452 -6.127 2.822 1.00 0.00 H new ATOM 0 HA HIS A 112 -12.014 -7.691 0.811 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.861 -5.476 1.972 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.539 -4.656 1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -11.728 -4.393 -1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -15.745 -5.521 -1.898 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -13.808 -4.535 -3.284 1.00 0.00 H new ATOM 1686 N LEU A 113 -9.032 -6.664 0.156 1.00 0.00 N ATOM 1687 CA LEU A 113 -7.990 -6.639 -0.919 1.00 0.00 C ATOM 1688 C LEU A 113 -7.487 -8.061 -1.293 1.00 0.00 C ATOM 1689 O LEU A 113 -6.792 -8.709 -0.510 1.00 0.00 O ATOM 1690 CB LEU A 113 -6.821 -5.745 -0.413 1.00 0.00 C ATOM 1691 CG LEU A 113 -6.861 -4.232 -0.738 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -8.216 -3.545 -0.522 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -5.794 -3.528 0.104 1.00 0.00 C ATOM 0 H LEU A 113 -8.655 -6.505 1.090 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.422 -6.232 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.766 -5.851 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.894 -6.148 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.671 -4.149 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -8.134 -2.489 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -8.968 -4.015 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -8.511 -3.642 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.807 -2.460 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.002 -3.687 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.812 -3.935 -0.138 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.807 -8.530 -2.501 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.514 -9.941 -2.910 1.00 0.00 C ATOM 1707 C ASP A 114 -6.078 -10.223 -3.509 1.00 0.00 C ATOM 1708 O ASP A 114 -5.751 -11.360 -3.846 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.717 -10.427 -3.772 1.00 0.00 C ATOM 1710 CG ASP A 114 -10.105 -10.254 -3.126 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.396 -10.955 -2.133 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.862 -9.351 -3.542 1.00 0.00 O ATOM 0 H ASP A 114 -8.266 -7.973 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.433 -10.555 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.706 -9.887 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.572 -11.482 -4.005 1.00 0.00 H new ATOM 1717 N ARG A 115 -5.182 -9.218 -3.549 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.709 -9.426 -3.578 1.00 0.00 C ATOM 1719 C ARG A 115 -2.967 -8.631 -2.432 1.00 0.00 C ATOM 1720 O ARG A 115 -3.424 -7.593 -1.935 1.00 0.00 O ATOM 1721 CB ARG A 115 -3.152 -8.999 -4.965 1.00 0.00 C ATOM 1722 CG ARG A 115 -3.321 -9.967 -6.151 1.00 0.00 C ATOM 1723 CD ARG A 115 -2.503 -9.476 -7.368 1.00 0.00 C ATOM 1724 NE ARG A 115 -2.902 -10.237 -8.586 1.00 0.00 N ATOM 1725 CZ ARG A 115 -3.465 -9.714 -9.670 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -3.421 -8.457 -9.989 1.00 0.00 N ATOM 1727 NH2 ARG A 115 -4.120 -10.497 -10.451 1.00 0.00 N ATOM 0 H ARG A 115 -5.453 -8.235 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.522 -10.486 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.625 -8.055 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.087 -8.800 -4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -2.993 -10.966 -5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.375 -10.043 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.670 -8.410 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.438 -9.608 -7.179 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.729 -11.242 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.928 -7.795 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.879 -8.130 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.196 -11.490 -10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.564 -10.125 -11.291 1.00 0.00 H new ATOM 1741 N MET A 116 -1.746 -9.071 -2.081 1.00 0.00 N ATOM 1742 CA MET A 116 -0.767 -8.257 -1.289 1.00 0.00 C ATOM 1743 C MET A 116 0.570 -8.093 -2.091 1.00 0.00 C ATOM 1744 O MET A 116 1.040 -9.052 -2.712 1.00 0.00 O ATOM 1745 CB MET A 116 -0.510 -8.956 0.078 1.00 0.00 C ATOM 1746 CG MET A 116 -0.103 -8.034 1.241 1.00 0.00 C ATOM 1747 SD MET A 116 0.672 -9.001 2.555 1.00 0.00 S ATOM 1748 CE MET A 116 -0.470 -8.776 3.933 1.00 0.00 C ATOM 0 H MET A 116 -1.397 -9.996 -2.331 1.00 0.00 H new ATOM 0 HA MET A 116 -1.176 -7.263 -1.108 1.00 0.00 H new ATOM 0 HB2 MET A 116 -1.414 -9.492 0.365 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.273 -9.702 -0.059 1.00 0.00 H new ATOM 0 HG2 MET A 116 0.588 -7.270 0.885 1.00 0.00 H new ATOM 0 HG3 MET A 116 -0.980 -7.516 1.629 1.00 0.00 H new ATOM 0 HE1 MET A 116 -0.123 -9.351 4.791 1.00 0.00 H new ATOM 0 HE2 MET A 116 -0.516 -7.720 4.199 1.00 0.00 H new ATOM 0 HE3 MET A 116 -1.463 -9.121 3.643 1.00 0.00 H new ATOM 1758 N VAL A 117 1.211 -6.914 -2.068 1.00 0.00 N ATOM 1759 CA VAL A 117 2.594 -6.720 -2.617 1.00 0.00 C ATOM 1760 C VAL A 117 3.506 -5.942 -1.614 1.00 0.00 C ATOM 1761 O VAL A 117 3.781 -4.748 -1.789 1.00 0.00 O ATOM 1762 CB VAL A 117 2.608 -6.115 -4.069 1.00 0.00 C ATOM 1763 CG1 VAL A 117 1.983 -7.058 -5.100 1.00 0.00 C ATOM 1764 CG2 VAL A 117 1.987 -4.716 -4.246 1.00 0.00 C ATOM 0 H VAL A 117 0.804 -6.065 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 117 3.028 -7.713 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 117 3.677 -5.994 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.017 -6.594 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.540 -7.995 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.946 -7.258 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.060 -4.415 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.939 -4.743 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.522 -3.999 -3.624 1.00 0.00 H new ATOM 1774 N LEU A 118 4.010 -6.611 -0.561 1.00 0.00 N ATOM 1775 CA LEU A 118 4.942 -5.991 0.424 1.00 0.00 C ATOM 1776 C LEU A 118 6.445 -6.361 0.180 1.00 0.00 C ATOM 1777 O LEU A 118 6.791 -7.490 -0.189 1.00 0.00 O ATOM 1778 CB LEU A 118 4.397 -6.158 1.874 1.00 0.00 C ATOM 1779 CG LEU A 118 4.540 -7.453 2.711 1.00 0.00 C ATOM 1780 CD1 LEU A 118 4.155 -8.716 1.941 1.00 0.00 C ATOM 1781 CD2 LEU A 118 5.936 -7.624 3.331 1.00 0.00 C ATOM 0 H LEU A 118 3.791 -7.587 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 118 4.964 -4.913 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.853 -5.363 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.329 -5.945 1.824 1.00 0.00 H new ATOM 0 HG LEU A 118 3.825 -7.325 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.278 -9.587 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.115 -8.645 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.797 -8.819 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.969 -8.551 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.684 -7.661 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.147 -6.782 3.990 1.00 0.00 H new ATOM 1793 N SER A 119 7.352 -5.391 0.394 1.00 0.00 N ATOM 1794 CA SER A 119 8.815 -5.661 0.402 1.00 0.00 C ATOM 1795 C SER A 119 9.324 -6.138 1.795 1.00 0.00 C ATOM 1796 O SER A 119 9.374 -5.370 2.765 1.00 0.00 O ATOM 1797 CB SER A 119 9.538 -4.407 -0.123 1.00 0.00 C ATOM 1798 OG SER A 119 9.243 -4.252 -1.512 1.00 0.00 O ATOM 0 H SER A 119 7.107 -4.416 0.564 1.00 0.00 H new ATOM 0 HA SER A 119 9.041 -6.496 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.216 -3.526 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.614 -4.502 0.026 1.00 0.00 H new ATOM 0 HG SER A 119 10.040 -4.465 -2.041 1.00 0.00 H new ATOM 1804 N ARG A 120 9.701 -7.418 1.890 1.00 0.00 N ATOM 1805 CA ARG A 120 10.272 -8.015 3.124 1.00 0.00 C ATOM 1806 C ARG A 120 11.805 -7.744 3.162 1.00 0.00 C ATOM 1807 O ARG A 120 12.592 -8.410 2.489 1.00 0.00 O ATOM 1808 CB ARG A 120 9.862 -9.512 3.129 1.00 0.00 C ATOM 1809 CG ARG A 120 10.041 -10.369 4.409 1.00 0.00 C ATOM 1810 CD ARG A 120 11.483 -10.722 4.838 1.00 0.00 C ATOM 1811 NE ARG A 120 12.083 -9.738 5.791 1.00 0.00 N ATOM 1812 CZ ARG A 120 12.773 -10.062 6.881 1.00 0.00 C ATOM 1813 NH1 ARG A 120 13.344 -11.228 7.054 1.00 0.00 N ATOM 1814 NH2 ARG A 120 12.891 -9.174 7.812 1.00 0.00 N ATOM 0 H ARG A 120 9.623 -8.079 1.117 1.00 0.00 H new ATOM 0 HA ARG A 120 9.888 -7.571 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.808 -9.559 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 120 10.421 -10.002 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.564 -9.842 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.495 -11.302 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.484 -11.709 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 120 12.112 -10.785 3.950 1.00 0.00 H new ATOM 0 HE ARG A 120 11.954 -8.746 5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 120 13.272 -11.944 6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.861 -11.420 7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.461 -8.256 7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.414 -9.391 8.660 1.00 0.00 H new ATOM 1828 N VAL A 121 12.215 -6.738 3.942 1.00 0.00 N ATOM 1829 CA VAL A 121 13.631 -6.258 3.976 1.00 0.00 C ATOM 1830 C VAL A 121 14.464 -7.154 4.962 1.00 0.00 C ATOM 1831 O VAL A 121 14.156 -7.116 6.161 1.00 0.00 O ATOM 1832 CB VAL A 121 13.668 -4.738 4.351 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.089 -4.144 4.508 1.00 0.00 C ATOM 1834 CG2 VAL A 121 12.929 -3.832 3.330 1.00 0.00 C ATOM 0 H VAL A 121 11.593 -6.227 4.568 1.00 0.00 H new ATOM 0 HA VAL A 121 14.089 -6.351 2.991 1.00 0.00 H new ATOM 0 HB VAL A 121 13.161 -4.734 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.015 -3.088 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.620 -4.676 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.633 -4.250 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 121 12.994 -2.793 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.391 -3.938 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.882 -4.129 3.272 1.00 0.00 H new ATOM 1844 N PRO A 122 15.488 -7.962 4.554 1.00 0.00 N ATOM 1845 CA PRO A 122 16.273 -8.812 5.505 1.00 0.00 C ATOM 1846 C PRO A 122 17.437 -8.100 6.289 1.00 0.00 C ATOM 1847 O PRO A 122 18.558 -8.608 6.396 1.00 0.00 O ATOM 1848 CB PRO A 122 16.702 -9.931 4.530 1.00 0.00 C ATOM 1849 CG PRO A 122 16.959 -9.214 3.200 1.00 0.00 C ATOM 1850 CD PRO A 122 15.857 -8.164 3.136 1.00 0.00 C ATOM 0 HA PRO A 122 15.713 -9.148 6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.598 -10.442 4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.923 -10.687 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 122 17.949 -8.758 3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 122 16.905 -9.903 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.209 -7.240 2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 122 15.008 -8.509 2.546 1.00 0.00 H new ATOM 1935 N THR A 129 4.358 2.378 13.212 1.00 0.00 N ATOM 1936 CA THR A 129 3.043 1.697 13.048 1.00 0.00 C ATOM 1937 C THR A 129 3.161 0.138 13.078 1.00 0.00 C ATOM 1938 O THR A 129 4.222 -0.434 12.818 1.00 0.00 O ATOM 1939 CB THR A 129 2.312 2.210 11.762 1.00 0.00 C ATOM 1940 OG1 THR A 129 3.062 1.962 10.579 1.00 0.00 O ATOM 1941 CG2 THR A 129 1.946 3.702 11.764 1.00 0.00 C ATOM 0 HA THR A 129 2.431 1.961 13.910 1.00 0.00 H new ATOM 0 HB THR A 129 1.386 1.635 11.773 1.00 0.00 H new ATOM 0 HG1 THR A 129 4.018 1.942 10.796 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.444 3.955 10.830 1.00 0.00 H new ATOM 0 HG22 THR A 129 1.281 3.912 12.601 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.853 4.299 11.862 1.00 0.00 H new ATOM 1949 N TYR A 130 2.065 -0.548 13.425 1.00 0.00 N ATOM 1950 CA TYR A 130 2.073 -2.026 13.640 1.00 0.00 C ATOM 1951 C TYR A 130 1.122 -2.785 12.655 1.00 0.00 C ATOM 1952 O TYR A 130 0.151 -2.224 12.136 1.00 0.00 O ATOM 1953 CB TYR A 130 1.747 -2.320 15.137 1.00 0.00 C ATOM 1954 CG TYR A 130 2.754 -1.773 16.169 1.00 0.00 C ATOM 1955 CD1 TYR A 130 3.977 -2.416 16.380 1.00 0.00 C ATOM 1956 CD2 TYR A 130 2.472 -0.590 16.859 1.00 0.00 C ATOM 1957 CE1 TYR A 130 4.914 -1.866 17.254 1.00 0.00 C ATOM 1958 CE2 TYR A 130 3.411 -0.045 17.734 1.00 0.00 C ATOM 1959 CZ TYR A 130 4.634 -0.683 17.921 1.00 0.00 C ATOM 1960 OH TYR A 130 5.582 -0.110 18.727 1.00 0.00 O ATOM 0 H TYR A 130 1.153 -0.115 13.567 1.00 0.00 H new ATOM 0 HA TYR A 130 3.068 -2.409 13.414 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.765 -1.905 15.362 1.00 0.00 H new ATOM 0 HB3 TYR A 130 1.674 -3.400 15.267 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.196 -3.340 15.866 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.523 -0.096 16.714 1.00 0.00 H new ATOM 0 HE1 TYR A 130 5.860 -2.363 17.412 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.190 0.869 18.265 1.00 0.00 H new ATOM 0 HH TYR A 130 5.224 0.714 19.118 1.00 0.00 H new ATOM 1970 N TYR A 131 1.357 -4.094 12.458 1.00 0.00 N ATOM 1971 CA TYR A 131 0.332 -5.015 11.883 1.00 0.00 C ATOM 1972 C TYR A 131 -0.990 -5.085 12.745 1.00 0.00 C ATOM 1973 O TYR A 131 -0.871 -5.431 13.928 1.00 0.00 O ATOM 1974 CB TYR A 131 0.938 -6.440 11.669 1.00 0.00 C ATOM 1975 CG TYR A 131 1.381 -6.778 10.232 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.478 -6.671 9.168 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.666 -7.275 9.992 1.00 0.00 C ATOM 1978 CE1 TYR A 131 0.865 -7.022 7.875 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.042 -7.652 8.701 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.144 -7.516 7.649 1.00 0.00 C ATOM 1981 OH TYR A 131 2.505 -7.901 6.385 1.00 0.00 O ATOM 0 H TYR A 131 2.242 -4.548 12.684 1.00 0.00 H new ATOM 0 HA TYR A 131 0.043 -4.602 10.916 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.799 -6.550 12.328 1.00 0.00 H new ATOM 0 HB3 TYR A 131 0.200 -7.178 11.983 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.525 -6.314 9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.369 -7.367 10.807 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.174 -6.910 7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.030 -8.049 8.520 1.00 0.00 H new ATOM 0 HH TYR A 131 3.431 -8.222 6.393 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.224 -4.778 12.242 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.469 -4.890 13.050 1.00 0.00 C ATOM 1993 C PRO A 132 -3.952 -6.377 13.209 1.00 0.00 C ATOM 1994 O PRO A 132 -3.426 -7.095 14.068 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.395 -3.849 12.367 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.659 -3.306 11.136 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.472 -4.221 10.902 1.00 0.00 C ATOM 0 HA PRO A 132 -3.388 -4.650 14.110 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.339 -4.310 12.076 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.635 -3.040 13.057 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.316 -3.293 10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.330 -2.280 11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.699 -5.001 10.175 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.608 -3.675 10.524 1.00 0.00 H new ATOM 2005 N GLU A 133 -4.886 -6.850 12.377 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.383 -8.251 12.392 1.00 0.00 C ATOM 2007 C GLU A 133 -5.252 -8.849 10.952 1.00 0.00 C ATOM 2008 O GLU A 133 -6.169 -8.788 10.132 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.794 -8.298 13.063 1.00 0.00 C ATOM 2010 CG GLU A 133 -7.988 -7.510 12.438 1.00 0.00 C ATOM 2011 CD GLU A 133 -7.958 -5.990 12.531 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.377 -5.436 13.569 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -7.522 -5.339 11.558 1.00 0.00 O ATOM 0 H GLU A 133 -5.330 -6.273 11.662 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.780 -8.911 13.016 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.091 -9.345 13.117 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.676 -7.947 14.088 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -8.054 -7.780 11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -8.905 -7.857 12.914 1.00 0.00 H new ATOM 2020 N TRP A 134 -4.045 -9.359 10.619 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.724 -9.915 9.276 1.00 0.00 C ATOM 2022 C TRP A 134 -3.802 -11.484 9.222 1.00 0.00 C ATOM 2023 O TRP A 134 -3.645 -12.166 10.244 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.398 -9.251 8.764 1.00 0.00 C ATOM 2025 CG TRP A 134 -1.081 -10.051 8.731 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.495 -10.575 7.557 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.180 -10.341 9.745 1.00 0.00 C ATOM 2028 NE1 TRP A 134 0.767 -11.143 7.803 1.00 0.00 N ATOM 2029 CE2 TRP A 134 0.932 -11.002 9.168 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.229 -10.105 11.144 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 2.012 -11.414 9.978 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.848 -10.529 11.927 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.956 -11.167 11.352 1.00 0.00 C ATOM 0 H TRP A 134 -3.262 -9.399 11.272 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.496 -9.647 8.555 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -2.586 -8.900 7.749 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.222 -8.369 9.379 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -0.962 -10.543 6.584 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.411 -11.561 7.131 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.078 -9.610 11.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 2.866 -11.911 9.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.826 -10.362 12.994 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.779 -11.472 11.981 1.00 0.00 H new ATOM 2044 N ASP A 135 -4.034 -12.042 8.031 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.444 -13.467 7.871 1.00 0.00 C ATOM 2046 C ASP A 135 -3.187 -14.415 7.819 1.00 0.00 C ATOM 2047 O ASP A 135 -2.688 -14.773 6.754 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.422 -13.597 6.652 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.537 -12.552 6.443 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -6.221 -11.427 5.998 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -7.723 -12.852 6.691 1.00 0.00 O ATOM 0 H ASP A 135 -3.948 -11.537 7.149 1.00 0.00 H new ATOM 0 HA ASP A 135 -5.002 -13.803 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -4.813 -13.607 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -5.902 -14.573 6.724 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.604 -14.760 8.987 1.00 0.00 N ATOM 2057 CA ALA A 136 -1.268 -15.428 9.051 1.00 0.00 C ATOM 2058 C ALA A 136 -1.104 -16.897 8.519 1.00 0.00 C ATOM 2059 O ALA A 136 -0.035 -17.209 8.001 1.00 0.00 O ATOM 2060 CB ALA A 136 -0.771 -15.260 10.501 1.00 0.00 C ATOM 0 H ALA A 136 -3.028 -14.592 9.899 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.648 -14.924 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.206 -15.731 10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.690 -14.199 10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.477 -15.731 11.185 1.00 0.00 H new ATOM 2066 N ALA A 137 -2.099 -17.801 8.644 1.00 0.00 N ATOM 2067 CA ALA A 137 -2.195 -18.980 7.733 1.00 0.00 C ATOM 2068 C ALA A 137 -2.979 -18.716 6.392 1.00 0.00 C ATOM 2069 O ALA A 137 -2.568 -19.191 5.341 1.00 0.00 O ATOM 2070 CB ALA A 137 -2.752 -20.201 8.502 1.00 0.00 C ATOM 0 H ALA A 137 -2.836 -17.748 9.348 1.00 0.00 H new ATOM 0 HA ALA A 137 -1.178 -19.195 7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -2.818 -21.056 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -2.087 -20.443 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -3.744 -19.966 8.889 1.00 0.00 H new ATOM 2076 N GLU A 138 -4.085 -17.946 6.433 1.00 0.00 N ATOM 2077 CA GLU A 138 -4.999 -17.739 5.270 1.00 0.00 C ATOM 2078 C GLU A 138 -4.675 -16.585 4.228 1.00 0.00 C ATOM 2079 O GLU A 138 -5.503 -16.250 3.377 1.00 0.00 O ATOM 2080 CB GLU A 138 -6.407 -17.671 5.947 1.00 0.00 C ATOM 2081 CG GLU A 138 -6.923 -18.996 6.611 1.00 0.00 C ATOM 2082 CD GLU A 138 -6.907 -19.075 8.134 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -5.843 -18.856 8.752 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -7.956 -19.418 8.719 1.00 0.00 O ATOM 0 H GLU A 138 -4.378 -17.445 7.272 1.00 0.00 H new ATOM 0 HA GLU A 138 -4.890 -18.553 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -6.383 -16.893 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -7.133 -17.359 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -7.947 -19.163 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -6.324 -19.821 6.225 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.436 -16.069 4.185 1.00 0.00 N ATOM 2092 CA TRP A 139 -2.830 -15.450 2.972 1.00 0.00 C ATOM 2093 C TRP A 139 -1.957 -16.518 2.205 1.00 0.00 C ATOM 2094 O TRP A 139 -0.889 -16.906 2.685 1.00 0.00 O ATOM 2095 CB TRP A 139 -1.992 -14.208 3.402 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.705 -12.850 3.434 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.025 -12.137 4.593 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -3.101 -12.030 2.397 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -3.719 -10.935 4.335 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.698 -10.872 2.956 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -3.002 -12.182 0.988 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.164 -9.837 2.112 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.501 -11.163 0.173 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -4.047 -9.996 0.729 1.00 0.00 C ATOM 0 H TRP A 139 -2.813 -16.065 4.993 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.608 -15.115 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.591 -14.401 4.397 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.141 -14.126 2.726 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -2.767 -12.472 5.587 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.131 -10.279 4.999 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.552 -13.064 0.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.602 -8.942 2.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.466 -11.275 -0.901 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.383 -9.205 0.075 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.388 -16.958 1.008 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.579 -17.878 0.147 1.00 0.00 C ATOM 2117 C GLU A 140 -0.506 -17.100 -0.699 1.00 0.00 C ATOM 2118 O GLU A 140 -0.727 -15.973 -1.158 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.533 -18.709 -0.763 1.00 0.00 C ATOM 2120 CG GLU A 140 -3.504 -19.706 -0.048 1.00 0.00 C ATOM 2121 CD GLU A 140 -3.297 -21.196 -0.286 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -2.207 -21.712 0.036 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -4.244 -21.864 -0.765 1.00 0.00 O ATOM 0 H GLU A 140 -3.288 -16.699 0.605 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.024 -18.558 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.133 -18.014 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.923 -19.276 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.437 -19.526 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.521 -19.457 -0.350 1.00 0.00 H new ATOM 2130 N LEU A 141 0.671 -17.708 -0.914 1.00 0.00 N ATOM 2131 CA LEU A 141 1.772 -17.110 -1.731 1.00 0.00 C ATOM 2132 C LEU A 141 1.694 -17.568 -3.232 1.00 0.00 C ATOM 2133 O LEU A 141 1.694 -18.771 -3.513 1.00 0.00 O ATOM 2134 CB LEU A 141 3.170 -17.464 -1.136 1.00 0.00 C ATOM 2135 CG LEU A 141 3.424 -17.132 0.362 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.324 -18.391 1.242 1.00 0.00 C ATOM 2137 CD2 LEU A 141 4.766 -16.417 0.586 1.00 0.00 C ATOM 0 H LEU A 141 0.899 -18.626 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 141 1.642 -16.028 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.332 -18.533 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 141 3.926 -16.947 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 141 2.637 -16.441 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.507 -18.123 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.327 -18.822 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.067 -19.120 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.894 -16.208 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.580 -17.054 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.777 -15.481 0.028 1.00 0.00 H new ATOM 2149 N ASP A 142 1.671 -16.619 -4.178 1.00 0.00 N ATOM 2150 CA ASP A 142 1.727 -16.916 -5.648 1.00 0.00 C ATOM 2151 C ASP A 142 3.181 -16.761 -6.232 1.00 0.00 C ATOM 2152 O ASP A 142 3.736 -17.729 -6.764 1.00 0.00 O ATOM 2153 CB ASP A 142 0.622 -16.056 -6.330 1.00 0.00 C ATOM 2154 CG ASP A 142 0.331 -16.372 -7.798 1.00 0.00 C ATOM 2155 OD1 ASP A 142 -0.344 -17.387 -8.077 1.00 0.00 O ATOM 2156 OD2 ASP A 142 0.742 -15.585 -8.677 1.00 0.00 O ATOM 0 H ASP A 142 1.614 -15.623 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 142 1.509 -17.963 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -0.302 -16.174 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 142 0.909 -15.007 -6.256 1.00 0.00 H new ATOM 2161 N ALA A 143 3.823 -15.577 -6.121 1.00 0.00 N ATOM 2162 CA ALA A 143 5.180 -15.318 -6.686 1.00 0.00 C ATOM 2163 C ALA A 143 6.185 -14.628 -5.699 1.00 0.00 C ATOM 2164 O ALA A 143 5.821 -13.725 -4.949 1.00 0.00 O ATOM 2165 CB ALA A 143 4.950 -14.464 -7.949 1.00 0.00 C ATOM 0 H ALA A 143 3.422 -14.772 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 143 5.664 -16.270 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 143 5.909 -14.237 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 143 4.327 -15.016 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 143 4.451 -13.535 -7.674 1.00 0.00 H new ATOM 2171 N GLU A 144 7.477 -15.013 -5.738 1.00 0.00 N ATOM 2172 CA GLU A 144 8.552 -14.393 -4.897 1.00 0.00 C ATOM 2173 C GLU A 144 9.780 -13.941 -5.773 1.00 0.00 C ATOM 2174 O GLU A 144 10.218 -14.662 -6.678 1.00 0.00 O ATOM 2175 CB GLU A 144 8.914 -15.389 -3.753 1.00 0.00 C ATOM 2176 CG GLU A 144 9.757 -14.795 -2.591 1.00 0.00 C ATOM 2177 CD GLU A 144 9.982 -15.693 -1.385 1.00 0.00 C ATOM 2178 OE1 GLU A 144 9.144 -15.668 -0.456 1.00 0.00 O ATOM 2179 OE2 GLU A 144 11.025 -16.379 -1.336 1.00 0.00 O ATOM 0 H GLU A 144 7.816 -15.758 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 144 8.197 -13.472 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 144 7.989 -15.791 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.461 -16.227 -4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 144 10.731 -14.508 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 144 9.270 -13.881 -2.249 1.00 0.00 H new ATOM 2186 N THR A 145 10.348 -12.734 -5.539 1.00 0.00 N ATOM 2187 CA THR A 145 11.587 -12.259 -6.249 1.00 0.00 C ATOM 2188 C THR A 145 12.625 -11.657 -5.236 1.00 0.00 C ATOM 2189 O THR A 145 12.527 -10.491 -4.825 1.00 0.00 O ATOM 2190 CB THR A 145 11.316 -11.289 -7.454 1.00 0.00 C ATOM 2191 OG1 THR A 145 10.809 -10.031 -7.033 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.326 -11.790 -8.514 1.00 0.00 C ATOM 0 H THR A 145 9.977 -12.063 -4.866 1.00 0.00 H new ATOM 0 HA THR A 145 12.022 -13.149 -6.703 1.00 0.00 H new ATOM 0 HB THR A 145 12.308 -11.219 -7.900 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.293 -9.734 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.218 -11.038 -9.296 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.699 -12.717 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.357 -11.972 -8.050 1.00 0.00 H new ATOM 2200 N ASP A 146 13.657 -12.434 -4.871 1.00 0.00 N ATOM 2201 CA ASP A 146 14.728 -11.977 -3.937 1.00 0.00 C ATOM 2202 C ASP A 146 15.835 -11.073 -4.612 1.00 0.00 C ATOM 2203 O ASP A 146 16.054 -11.082 -5.832 1.00 0.00 O ATOM 2204 CB ASP A 146 15.242 -13.248 -3.212 1.00 0.00 C ATOM 2205 CG ASP A 146 16.151 -12.938 -2.030 1.00 0.00 C ATOM 2206 OD1 ASP A 146 15.628 -12.544 -0.966 1.00 0.00 O ATOM 2207 OD2 ASP A 146 17.385 -13.024 -2.188 1.00 0.00 O ATOM 0 H ASP A 146 13.783 -13.390 -5.205 1.00 0.00 H new ATOM 0 HA ASP A 146 14.332 -11.279 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.389 -13.830 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.783 -13.871 -3.924 1.00 0.00 H new ATOM 2212 N HIS A 147 16.444 -10.185 -3.807 1.00 0.00 N ATOM 2213 CA HIS A 147 17.403 -9.146 -4.285 1.00 0.00 C ATOM 2214 C HIS A 147 18.499 -8.783 -3.224 1.00 0.00 C ATOM 2215 O HIS A 147 18.343 -8.977 -2.017 1.00 0.00 O ATOM 2216 CB HIS A 147 16.612 -7.850 -4.657 1.00 0.00 C ATOM 2217 CG HIS A 147 15.726 -7.912 -5.900 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.414 -8.346 -5.866 1.00 0.00 N ATOM 2219 CD2 HIS A 147 16.116 -7.672 -7.232 1.00 0.00 C ATOM 2220 CE1 HIS A 147 14.128 -8.429 -7.194 1.00 0.00 C ATOM 2221 NE2 HIS A 147 15.070 -7.997 -8.101 1.00 0.00 N ATOM 0 H HIS A 147 16.291 -10.159 -2.799 1.00 0.00 H new ATOM 0 HA HIS A 147 17.916 -9.562 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 147 15.985 -7.580 -3.807 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.330 -7.042 -4.793 1.00 0.00 H new ATOM 0 HD1 HIS A 147 13.820 -8.549 -5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 147 17.080 -7.293 -7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 147 13.181 -8.826 -7.530 1.00 0.00 H new ATOM 2230 N GLU A 148 19.555 -8.098 -3.697 1.00 0.00 N ATOM 2231 CA GLU A 148 20.580 -7.380 -2.876 1.00 0.00 C ATOM 2232 C GLU A 148 20.252 -6.658 -1.509 1.00 0.00 C ATOM 2233 O GLU A 148 21.121 -6.589 -0.640 1.00 0.00 O ATOM 2234 CB GLU A 148 21.247 -6.429 -3.913 1.00 0.00 C ATOM 2235 CG GLU A 148 20.404 -5.201 -4.385 1.00 0.00 C ATOM 2236 CD GLU A 148 20.668 -4.732 -5.802 1.00 0.00 C ATOM 2237 OE1 GLU A 148 21.613 -3.945 -6.015 1.00 0.00 O ATOM 2238 OE2 GLU A 148 19.900 -5.140 -6.704 1.00 0.00 O ATOM 0 H GLU A 148 19.736 -8.019 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 148 21.192 -8.155 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.178 -6.058 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 148 21.513 -7.017 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 148 19.347 -5.452 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 148 20.593 -4.370 -3.705 1.00 0.00 H new ATOM 2245 N GLY A 149 19.030 -6.139 -1.304 1.00 0.00 N ATOM 2246 CA GLY A 149 18.526 -5.866 0.077 1.00 0.00 C ATOM 2247 C GLY A 149 16.992 -5.776 0.269 1.00 0.00 C ATOM 2248 O GLY A 149 16.535 -5.018 1.124 1.00 0.00 O ATOM 0 H GLY A 149 18.376 -5.900 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 149 18.903 -6.650 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 149 18.964 -4.927 0.416 1.00 0.00 H new ATOM 2252 N PHE A 150 16.198 -6.567 -0.475 1.00 0.00 N ATOM 2253 CA PHE A 150 14.714 -6.643 -0.310 1.00 0.00 C ATOM 2254 C PHE A 150 14.138 -7.950 -0.963 1.00 0.00 C ATOM 2255 O PHE A 150 14.607 -8.397 -2.016 1.00 0.00 O ATOM 2256 CB PHE A 150 13.998 -5.343 -0.812 1.00 0.00 C ATOM 2257 CG PHE A 150 13.559 -5.274 -2.289 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.499 -5.130 -3.312 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.212 -5.454 -2.620 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.092 -5.142 -4.646 1.00 0.00 C ATOM 2261 CE2 PHE A 150 11.804 -5.449 -3.949 1.00 0.00 C ATOM 2262 CZ PHE A 150 12.743 -5.290 -4.965 1.00 0.00 C ATOM 0 H PHE A 150 16.556 -7.176 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 150 14.501 -6.704 0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.113 -5.192 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.665 -4.502 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.544 -5.009 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.483 -5.598 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 150 14.823 -5.036 -5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 150 10.759 -5.568 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 150 12.427 -5.281 -5.998 1.00 0.00 H new ATOM 2272 N THR A 151 13.045 -8.484 -0.412 1.00 0.00 N ATOM 2273 CA THR A 151 12.333 -9.652 -1.011 1.00 0.00 C ATOM 2274 C THR A 151 10.874 -9.212 -1.373 1.00 0.00 C ATOM 2275 O THR A 151 10.069 -8.910 -0.487 1.00 0.00 O ATOM 2276 CB THR A 151 12.408 -10.864 -0.032 1.00 0.00 C ATOM 2277 OG1 THR A 151 13.750 -11.139 0.384 1.00 0.00 O ATOM 2278 CG2 THR A 151 11.849 -12.162 -0.626 1.00 0.00 C ATOM 0 H THR A 151 12.621 -8.137 0.449 1.00 0.00 H new ATOM 0 HA THR A 151 12.805 -9.984 -1.936 1.00 0.00 H new ATOM 0 HB THR A 151 11.794 -10.558 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 151 14.198 -11.684 -0.296 1.00 0.00 H new ATOM 0 HG21 THR A 151 11.932 -12.964 0.108 1.00 0.00 H new ATOM 0 HG22 THR A 151 10.801 -12.020 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 151 12.416 -12.427 -1.519 1.00 0.00 H new ATOM 2286 N LEU A 152 10.502 -9.159 -2.666 1.00 0.00 N ATOM 2287 CA LEU A 152 9.065 -8.995 -3.067 1.00 0.00 C ATOM 2288 C LEU A 152 8.285 -10.336 -2.928 1.00 0.00 C ATOM 2289 O LEU A 152 8.679 -11.348 -3.511 1.00 0.00 O ATOM 2290 CB LEU A 152 8.996 -8.380 -4.499 1.00 0.00 C ATOM 2291 CG LEU A 152 7.646 -8.248 -5.269 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.034 -9.559 -5.804 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.599 -7.413 -4.507 1.00 0.00 C ATOM 0 H LEU A 152 11.153 -9.225 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 152 8.568 -8.300 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.422 -7.379 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 152 9.663 -8.969 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 152 7.940 -7.700 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.099 -9.340 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 152 7.730 -10.029 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 152 6.839 -10.236 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.682 -7.357 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.388 -7.883 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 152 6.986 -6.407 -4.342 1.00 0.00 H new ATOM 2305 N GLN A 153 7.167 -10.304 -2.198 1.00 0.00 N ATOM 2306 CA GLN A 153 6.211 -11.443 -2.119 1.00 0.00 C ATOM 2307 C GLN A 153 4.834 -10.980 -2.720 1.00 0.00 C ATOM 2308 O GLN A 153 4.198 -10.058 -2.194 1.00 0.00 O ATOM 2309 CB GLN A 153 6.152 -11.881 -0.629 1.00 0.00 C ATOM 2310 CG GLN A 153 7.423 -12.623 -0.131 1.00 0.00 C ATOM 2311 CD GLN A 153 7.492 -12.868 1.381 1.00 0.00 C ATOM 2312 OE1 GLN A 153 7.549 -11.934 2.175 1.00 0.00 O ATOM 2313 NE2 GLN A 153 7.528 -14.104 1.825 1.00 0.00 N ATOM 0 H GLN A 153 6.888 -9.496 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 153 6.515 -12.311 -2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 153 5.994 -10.999 -0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 153 5.288 -12.530 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 153 7.485 -13.584 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 153 8.299 -12.047 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 153 7.481 -14.883 1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 153 7.603 -14.284 2.826 1.00 0.00 H new ATOM 2322 N GLU A 154 4.405 -11.590 -3.843 1.00 0.00 N ATOM 2323 CA GLU A 154 3.064 -11.373 -4.459 1.00 0.00 C ATOM 2324 C GLU A 154 2.069 -12.453 -3.919 1.00 0.00 C ATOM 2325 O GLU A 154 2.215 -13.645 -4.200 1.00 0.00 O ATOM 2326 CB GLU A 154 3.181 -11.346 -6.029 1.00 0.00 C ATOM 2327 CG GLU A 154 2.787 -9.974 -6.628 1.00 0.00 C ATOM 2328 CD GLU A 154 2.720 -9.743 -8.123 1.00 0.00 C ATOM 2329 OE1 GLU A 154 3.766 -9.447 -8.729 1.00 0.00 O ATOM 2330 OE2 GLU A 154 1.598 -9.670 -8.668 1.00 0.00 O ATOM 0 H GLU A 154 4.980 -12.256 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 154 2.663 -10.400 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.204 -11.585 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 154 2.541 -12.121 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 154 1.804 -9.726 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 154 3.489 -9.242 -6.228 1.00 0.00 H new ATOM 2337 N TRP A 155 1.084 -12.050 -3.103 1.00 0.00 N ATOM 2338 CA TRP A 155 0.162 -12.999 -2.398 1.00 0.00 C ATOM 2339 C TRP A 155 -1.276 -12.977 -3.014 1.00 0.00 C ATOM 2340 O TRP A 155 -1.709 -11.948 -3.538 1.00 0.00 O ATOM 2341 CB TRP A 155 0.073 -12.664 -0.879 1.00 0.00 C ATOM 2342 CG TRP A 155 1.358 -12.590 -0.039 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.267 -11.519 -0.104 1.00 0.00 C ATOM 2344 CD2 TRP A 155 1.748 -13.328 1.067 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.200 -11.555 0.938 1.00 0.00 N ATOM 2346 CE2 TRP A 155 2.869 -12.682 1.647 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.193 -14.475 1.684 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.424 -13.156 2.852 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.764 -14.936 2.875 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.861 -14.284 3.451 1.00 0.00 C ATOM 0 H TRP A 155 0.892 -11.068 -2.904 1.00 0.00 H new ATOM 0 HA TRP A 155 0.580 -13.997 -2.527 1.00 0.00 H new ATOM 0 HB2 TRP A 155 -0.432 -11.703 -0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.575 -13.410 -0.418 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.247 -10.757 -0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 155 3.954 -10.894 1.127 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.347 -14.983 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 4.268 -12.656 3.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 1.352 -15.809 3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 155 3.278 -14.660 4.374 1.00 0.00 H new ATOM 2361 N VAL A 156 -2.045 -14.075 -2.895 1.00 0.00 N ATOM 2362 CA VAL A 156 -3.413 -14.195 -3.519 1.00 0.00 C ATOM 2363 C VAL A 156 -4.634 -14.473 -2.548 1.00 0.00 C ATOM 2364 O VAL A 156 -5.767 -14.629 -3.016 1.00 0.00 O ATOM 2365 CB VAL A 156 -3.265 -15.194 -4.728 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -3.129 -16.687 -4.347 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -4.367 -15.051 -5.799 1.00 0.00 C ATOM 0 H VAL A 156 -1.758 -14.904 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.724 -13.210 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 156 -2.312 -14.878 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -3.033 -17.286 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -2.244 -16.825 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -4.014 -17.004 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -4.194 -15.773 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -5.341 -15.237 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -4.345 -14.042 -6.211 1.00 0.00 H new ATOM 2377 N ARG A 157 -4.446 -14.498 -1.205 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.515 -14.847 -0.208 1.00 0.00 C ATOM 2379 C ARG A 157 -5.992 -16.345 -0.233 1.00 0.00 C ATOM 2380 O ARG A 157 -5.529 -17.121 -1.069 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.617 -13.736 -0.183 1.00 0.00 C ATOM 2382 CG ARG A 157 -6.793 -13.008 1.177 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.152 -11.519 1.028 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.514 -11.289 0.477 1.00 0.00 N ATOM 2385 CZ ARG A 157 -9.585 -11.016 1.187 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -9.632 -11.130 2.484 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -10.640 -10.624 0.555 1.00 0.00 N ATOM 0 H ARG A 157 -3.549 -14.278 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.071 -14.831 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -6.379 -12.994 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.570 -14.186 -0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.574 -13.507 1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -5.870 -13.097 1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.077 -11.036 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.420 -11.040 0.377 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.626 -11.348 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.809 -11.445 2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.491 -10.904 2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.622 -10.536 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.491 -10.403 1.072 1.00 0.00 H new ATOM 2401 N SER A 158 -6.867 -16.791 0.695 1.00 0.00 N ATOM 2402 CA SER A 158 -7.217 -18.245 0.842 1.00 0.00 C ATOM 2403 C SER A 158 -8.123 -18.865 -0.289 1.00 0.00 C ATOM 2404 O SER A 158 -9.258 -19.307 -0.073 1.00 0.00 O ATOM 2405 CB SER A 158 -7.807 -18.427 2.261 1.00 0.00 C ATOM 2406 OG SER A 158 -7.911 -19.812 2.610 1.00 0.00 O ATOM 0 H SER A 158 -7.348 -16.180 1.355 1.00 0.00 H new ATOM 0 HA SER A 158 -6.302 -18.823 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 158 -7.177 -17.914 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.792 -17.963 2.309 1.00 0.00 H new ATOM 0 HG SER A 158 -8.285 -19.895 3.512 1.00 0.00 H new