USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 35 CYS SG : rot 22:sc= -2.21 USER MOD Set 1.2: A 69 SER OG : rot 131:sc= 0.14 USER MOD Set 1.3: A 71 THR OG1 : rot 8:sc= 0.354! USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.775 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.748 K(o=-0.13,f=-1.3) USER MOD Set 2.3: A 85 MET CE :methyl -171:sc= -0.105 (180deg=-0.231) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.602 (180deg=-2.91!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.327 K(o=-0.33,f=-4.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.737 K(o=-0.74,f=-0.11) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -172:sc= -2.72 (180deg=-2.85) USER MOD Single : A 47 MET CE :methyl -107:sc= -0.783 (180deg=-1.41) USER MOD Single : A 50 GLN : amide:sc= -0.175 K(o=-0.17,f=-2.8!) USER MOD Single : A 51 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3!) USER MOD Single : A 53 THR OG1 : rot -93:sc= -1.41 USER MOD Single : A 58 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.34) USER MOD Single : A 60 MET CE :methyl -141:sc= -3.81! (180deg=-6.72!) USER MOD Single : A 80 MET CE :methyl -148:sc= -0.594 (180deg=-2.46!) USER MOD Single : A 81 MET CE :methyl 135:sc= -1.65 (180deg=-1.94) USER MOD Single : A 84 CYS SG : rot -43:sc= 0.362 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 75.646 -4.664 15.903 1.00 4.64 N ATOM 2 CA MET A 1 76.016 -3.533 15.004 1.00 4.12 C ATOM 3 C MET A 1 77.463 -3.104 15.261 1.00 3.48 C ATOM 4 O MET A 1 77.720 -2.110 15.910 1.00 3.58 O ATOM 5 CB MET A 1 75.049 -2.406 15.366 1.00 4.98 C ATOM 6 CG MET A 1 73.612 -2.931 15.329 1.00 5.66 C ATOM 7 SD MET A 1 72.545 -1.847 16.310 1.00 6.61 S ATOM 8 CE MET A 1 71.069 -1.977 15.269 1.00 7.61 C ATOM 0 H1 MET A 1 74.925 -5.253 15.441 1.00 4.64 H new ATOM 0 H2 MET A 1 76.489 -5.240 16.101 1.00 4.64 H new ATOM 0 H3 MET A 1 75.266 -4.288 16.795 1.00 4.64 H new ATOM 0 HA MET A 1 75.949 -3.804 13.950 1.00 4.12 H new ATOM 0 HB2 MET A 1 75.280 -2.020 16.359 1.00 4.98 H new ATOM 0 HB3 MET A 1 75.162 -1.577 14.667 1.00 4.98 H new ATOM 0 HG2 MET A 1 73.256 -2.974 14.300 1.00 5.66 H new ATOM 0 HG3 MET A 1 73.575 -3.947 15.722 1.00 5.66 H new ATOM 0 HE1 MET A 1 70.268 -1.373 15.696 1.00 7.61 H new ATOM 0 HE2 MET A 1 71.299 -1.618 14.266 1.00 7.61 H new ATOM 0 HE3 MET A 1 70.751 -3.018 15.218 1.00 7.61 H new ATOM 20 N ASP A 2 78.409 -3.848 14.757 1.00 3.24 N ATOM 21 CA ASP A 2 79.840 -3.484 14.971 1.00 2.87 C ATOM 22 C ASP A 2 80.344 -2.612 13.819 1.00 2.07 C ATOM 23 O ASP A 2 81.453 -2.771 13.347 1.00 2.09 O ATOM 24 CB ASP A 2 80.587 -4.818 14.997 1.00 3.39 C ATOM 25 CG ASP A 2 81.385 -4.932 16.297 1.00 4.29 C ATOM 26 OD1 ASP A 2 81.642 -3.904 16.902 1.00 4.77 O ATOM 27 OD2 ASP A 2 81.725 -6.043 16.665 1.00 4.75 O ATOM 0 H ASP A 2 78.254 -4.692 14.206 1.00 3.24 H new ATOM 0 HA ASP A 2 79.987 -2.914 15.888 1.00 2.87 H new ATOM 0 HB2 ASP A 2 79.880 -5.644 14.918 1.00 3.39 H new ATOM 0 HB3 ASP A 2 81.256 -4.889 14.140 1.00 3.39 H new ATOM 32 N ASP A 3 79.541 -1.691 13.362 1.00 1.76 N ATOM 33 CA ASP A 3 79.978 -0.811 12.239 1.00 1.28 C ATOM 34 C ASP A 3 80.435 -1.660 11.052 1.00 1.35 C ATOM 35 O ASP A 3 81.129 -1.192 10.171 1.00 1.53 O ATOM 36 CB ASP A 3 81.147 -0.004 12.801 1.00 1.32 C ATOM 37 CG ASP A 3 80.611 1.169 13.624 1.00 2.14 C ATOM 38 OD1 ASP A 3 79.591 0.998 14.269 1.00 2.66 O ATOM 39 OD2 ASP A 3 81.232 2.220 13.594 1.00 2.84 O ATOM 0 H ASP A 3 78.602 -1.509 13.716 1.00 1.76 H new ATOM 0 HA ASP A 3 79.174 -0.168 11.880 1.00 1.28 H new ATOM 0 HB2 ASP A 3 81.776 -0.641 13.423 1.00 1.32 H new ATOM 0 HB3 ASP A 3 81.772 0.365 11.988 1.00 1.32 H new ATOM 44 N ILE A 4 80.052 -2.906 11.021 1.00 1.45 N ATOM 45 CA ILE A 4 80.464 -3.787 9.892 1.00 1.66 C ATOM 46 C ILE A 4 79.599 -3.507 8.662 1.00 1.48 C ATOM 47 O ILE A 4 79.967 -3.820 7.548 1.00 1.58 O ATOM 48 CB ILE A 4 80.231 -5.209 10.399 1.00 1.89 C ATOM 49 CG1 ILE A 4 78.730 -5.444 10.582 1.00 2.25 C ATOM 50 CG2 ILE A 4 80.943 -5.397 11.739 1.00 1.95 C ATOM 51 CD1 ILE A 4 78.494 -6.866 11.096 1.00 2.30 C ATOM 0 H ILE A 4 79.471 -3.353 11.730 1.00 1.45 H new ATOM 0 HA ILE A 4 81.500 -3.624 9.595 1.00 1.66 H new ATOM 0 HB ILE A 4 80.626 -5.922 9.675 1.00 1.89 H new ATOM 0 HG12 ILE A 4 78.321 -4.719 11.286 1.00 2.25 H new ATOM 0 HG13 ILE A 4 78.210 -5.297 9.635 1.00 2.25 H new ATOM 0 HG21 ILE A 4 80.776 -6.412 12.100 1.00 1.95 H new ATOM 0 HG22 ILE A 4 82.012 -5.229 11.610 1.00 1.95 H new ATOM 0 HG23 ILE A 4 80.549 -4.685 12.464 1.00 1.95 H new ATOM 0 HD11 ILE A 4 77.425 -7.033 11.226 1.00 2.30 H new ATOM 0 HD12 ILE A 4 78.888 -7.583 10.376 1.00 2.30 H new ATOM 0 HD13 ILE A 4 79.001 -6.996 12.052 1.00 2.30 H new ATOM 63 N TYR A 5 78.448 -2.922 8.855 1.00 1.29 N ATOM 64 CA TYR A 5 77.558 -2.626 7.698 1.00 1.15 C ATOM 65 C TYR A 5 78.012 -1.346 6.990 1.00 1.04 C ATOM 66 O TYR A 5 78.179 -1.318 5.788 1.00 1.02 O ATOM 67 CB TYR A 5 76.168 -2.440 8.305 1.00 1.16 C ATOM 68 CG TYR A 5 75.664 -3.766 8.822 1.00 1.39 C ATOM 69 CD1 TYR A 5 76.022 -4.200 10.104 1.00 1.89 C ATOM 70 CD2 TYR A 5 74.838 -4.561 8.019 1.00 1.97 C ATOM 71 CE1 TYR A 5 75.554 -5.430 10.583 1.00 2.12 C ATOM 72 CE2 TYR A 5 74.369 -5.790 8.498 1.00 2.21 C ATOM 73 CZ TYR A 5 74.727 -6.225 9.780 1.00 1.97 C ATOM 74 OH TYR A 5 74.264 -7.437 10.252 1.00 2.28 O ATOM 0 H TYR A 5 78.086 -2.636 9.765 1.00 1.29 H new ATOM 0 HA TYR A 5 77.574 -3.421 6.952 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.208 -1.713 9.116 1.00 1.16 H new ATOM 0 HB3 TYR A 5 75.482 -2.045 7.556 1.00 1.16 H new ATOM 0 HD1 TYR A 5 76.659 -3.586 10.724 1.00 1.89 H new ATOM 0 HD2 TYR A 5 74.562 -4.226 7.030 1.00 1.97 H new ATOM 0 HE1 TYR A 5 75.831 -5.765 11.572 1.00 2.12 H new ATOM 0 HE2 TYR A 5 73.731 -6.403 7.879 1.00 2.21 H new ATOM 0 HH TYR A 5 73.702 -7.861 9.570 1.00 2.28 H new ATOM 84 N LYS A 6 78.211 -0.286 7.724 1.00 1.08 N ATOM 85 CA LYS A 6 78.650 0.987 7.084 1.00 1.15 C ATOM 86 C LYS A 6 79.799 0.715 6.108 1.00 1.34 C ATOM 87 O LYS A 6 80.019 1.457 5.172 1.00 1.48 O ATOM 88 CB LYS A 6 79.117 1.877 8.239 1.00 1.28 C ATOM 89 CG LYS A 6 80.363 1.273 8.891 1.00 1.93 C ATOM 90 CD LYS A 6 81.194 2.388 9.530 1.00 2.17 C ATOM 91 CE LYS A 6 82.648 2.272 9.067 1.00 3.13 C ATOM 92 NZ LYS A 6 83.463 2.591 10.272 1.00 3.45 N ATOM 0 H LYS A 6 78.089 -0.246 8.736 1.00 1.08 H new ATOM 0 HA LYS A 6 77.852 1.459 6.511 1.00 1.15 H new ATOM 0 HB2 LYS A 6 79.338 2.879 7.871 1.00 1.28 H new ATOM 0 HB3 LYS A 6 78.321 1.977 8.977 1.00 1.28 H new ATOM 0 HG2 LYS A 6 80.074 0.542 9.646 1.00 1.93 H new ATOM 0 HG3 LYS A 6 80.957 0.744 8.146 1.00 1.93 H new ATOM 0 HD2 LYS A 6 80.790 3.362 9.253 1.00 2.17 H new ATOM 0 HD3 LYS A 6 81.141 2.318 10.616 1.00 2.17 H new ATOM 0 HE2 LYS A 6 82.866 1.270 8.697 1.00 3.13 H new ATOM 0 HE3 LYS A 6 82.859 2.965 8.253 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 84.473 2.532 10.033 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 83.240 3.553 10.597 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 83.246 1.911 11.028 1.00 3.45 H new ATOM 106 N ALA A 7 80.526 -0.349 6.316 1.00 1.45 N ATOM 107 CA ALA A 7 81.653 -0.670 5.395 1.00 1.74 C ATOM 108 C ALA A 7 81.131 -1.442 4.180 1.00 1.74 C ATOM 109 O ALA A 7 81.505 -1.176 3.055 1.00 1.92 O ATOM 110 CB ALA A 7 82.604 -1.539 6.218 1.00 1.95 C ATOM 0 H ALA A 7 80.389 -1.008 7.082 1.00 1.45 H new ATOM 0 HA ALA A 7 82.148 0.224 5.017 1.00 1.74 H new ATOM 0 HB1 ALA A 7 83.463 -1.818 5.607 1.00 1.95 H new ATOM 0 HB2 ALA A 7 82.945 -0.981 7.090 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.084 -2.439 6.545 1.00 1.95 H new ATOM 116 N ALA A 8 80.262 -2.392 4.397 1.00 1.60 N ATOM 117 CA ALA A 8 79.711 -3.176 3.253 1.00 1.68 C ATOM 118 C ALA A 8 79.159 -2.226 2.187 1.00 1.49 C ATOM 119 O ALA A 8 79.328 -2.441 1.003 1.00 1.62 O ATOM 120 CB ALA A 8 78.587 -4.021 3.854 1.00 1.71 C ATOM 0 H ALA A 8 79.910 -2.659 5.316 1.00 1.60 H new ATOM 0 HA ALA A 8 80.468 -3.794 2.770 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.130 -4.628 3.072 1.00 1.71 H new ATOM 0 HB2 ALA A 8 78.995 -4.672 4.627 1.00 1.71 H new ATOM 0 HB3 ALA A 8 77.834 -3.366 4.291 1.00 1.71 H new ATOM 126 N VAL A 9 78.503 -1.174 2.598 1.00 1.25 N ATOM 127 CA VAL A 9 77.945 -0.210 1.606 1.00 1.20 C ATOM 128 C VAL A 9 79.077 0.608 0.978 1.00 1.40 C ATOM 129 O VAL A 9 78.957 1.111 -0.122 1.00 1.41 O ATOM 130 CB VAL A 9 77.010 0.691 2.415 1.00 1.13 C ATOM 131 CG1 VAL A 9 76.708 1.964 1.621 1.00 1.83 C ATOM 132 CG2 VAL A 9 75.703 -0.054 2.695 1.00 1.52 C ATOM 0 H VAL A 9 78.330 -0.941 3.576 1.00 1.25 H new ATOM 0 HA VAL A 9 77.422 -0.707 0.789 1.00 1.20 H new ATOM 0 HB VAL A 9 77.490 0.957 3.357 1.00 1.13 H new ATOM 0 HG11 VAL A 9 76.042 2.604 2.199 1.00 1.83 H new ATOM 0 HG12 VAL A 9 77.638 2.496 1.419 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.229 1.700 0.678 1.00 1.83 H new ATOM 0 HG21 VAL A 9 75.035 0.586 3.271 1.00 1.52 H new ATOM 0 HG22 VAL A 9 75.226 -0.319 1.751 1.00 1.52 H new ATOM 0 HG23 VAL A 9 75.915 -0.961 3.262 1.00 1.52 H new ATOM 142 N GLU A 10 80.175 0.748 1.672 1.00 1.64 N ATOM 143 CA GLU A 10 81.314 1.533 1.119 1.00 1.94 C ATOM 144 C GLU A 10 82.174 0.662 0.198 1.00 1.97 C ATOM 145 O GLU A 10 82.830 1.152 -0.699 1.00 2.19 O ATOM 146 CB GLU A 10 82.118 1.967 2.345 1.00 2.23 C ATOM 147 CG GLU A 10 82.701 3.358 2.101 1.00 2.75 C ATOM 148 CD GLU A 10 83.711 3.294 0.954 1.00 3.11 C ATOM 149 OE1 GLU A 10 84.762 2.706 1.148 1.00 3.61 O ATOM 150 OE2 GLU A 10 83.416 3.834 -0.100 1.00 3.35 O ATOM 0 H GLU A 10 80.331 0.352 2.599 1.00 1.64 H new ATOM 0 HA GLU A 10 80.977 2.380 0.522 1.00 1.94 H new ATOM 0 HB2 GLU A 10 81.479 1.978 3.228 1.00 2.23 H new ATOM 0 HB3 GLU A 10 82.919 1.254 2.540 1.00 2.23 H new ATOM 0 HG2 GLU A 10 81.904 4.061 1.859 1.00 2.75 H new ATOM 0 HG3 GLU A 10 83.185 3.725 3.006 1.00 2.75 H new ATOM 157 N GLN A 11 82.182 -0.624 0.418 1.00 1.87 N ATOM 158 CA GLN A 11 83.007 -1.521 -0.442 1.00 2.00 C ATOM 159 C GLN A 11 82.229 -1.925 -1.697 1.00 1.46 C ATOM 160 O GLN A 11 82.693 -2.712 -2.498 1.00 1.69 O ATOM 161 CB GLN A 11 83.297 -2.746 0.426 1.00 2.54 C ATOM 162 CG GLN A 11 84.753 -2.707 0.892 1.00 3.27 C ATOM 163 CD GLN A 11 84.813 -2.920 2.406 1.00 3.83 C ATOM 164 OE1 GLN A 11 83.792 -3.029 3.056 1.00 4.41 O ATOM 165 NE2 GLN A 11 85.973 -2.984 2.999 1.00 3.95 N ATOM 0 H GLN A 11 81.654 -1.092 1.154 1.00 1.87 H new ATOM 0 HA GLN A 11 83.921 -1.035 -0.782 1.00 2.00 H new ATOM 0 HB2 GLN A 11 82.629 -2.761 1.287 1.00 2.54 H new ATOM 0 HB3 GLN A 11 83.109 -3.659 -0.140 1.00 2.54 H new ATOM 0 HG2 GLN A 11 85.329 -3.479 0.383 1.00 3.27 H new ATOM 0 HG3 GLN A 11 85.203 -1.749 0.631 1.00 3.27 H new ATOM 0 HE21 GLN A 11 86.830 -2.893 2.454 1.00 3.95 H new ATOM 0 HE22 GLN A 11 86.023 -3.126 4.008 1.00 3.95 H new ATOM 174 N LEU A 12 81.053 -1.391 -1.878 1.00 1.14 N ATOM 175 CA LEU A 12 80.253 -1.746 -3.085 1.00 1.23 C ATOM 176 C LEU A 12 81.038 -1.406 -4.356 1.00 1.75 C ATOM 177 O LEU A 12 82.222 -1.134 -4.311 1.00 2.52 O ATOM 178 CB LEU A 12 78.991 -0.889 -2.991 1.00 1.10 C ATOM 179 CG LEU A 12 78.171 -1.317 -1.773 1.00 1.16 C ATOM 180 CD1 LEU A 12 76.879 -0.501 -1.718 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.829 -2.805 -1.886 1.00 1.62 C ATOM 0 H LEU A 12 80.611 -0.725 -1.244 1.00 1.14 H new ATOM 0 HA LEU A 12 80.020 -2.810 -3.128 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.260 0.164 -2.910 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.397 -0.997 -3.898 1.00 1.10 H new ATOM 0 HG LEU A 12 78.750 -1.145 -0.866 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.293 -0.805 -0.850 1.00 1.74 H new ATOM 0 HD12 LEU A 12 77.121 0.559 -1.639 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.300 -0.674 -2.625 1.00 1.74 H new ATOM 0 HD21 LEU A 12 77.245 -3.111 -1.018 1.00 1.62 H new ATOM 0 HD22 LEU A 12 77.249 -2.977 -2.793 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.749 -3.388 -1.927 1.00 1.62 H new ATOM 193 N THR A 13 80.390 -1.417 -5.488 1.00 1.74 N ATOM 194 CA THR A 13 81.100 -1.092 -6.758 1.00 2.37 C ATOM 195 C THR A 13 80.528 0.191 -7.369 1.00 2.28 C ATOM 196 O THR A 13 79.435 0.611 -7.041 1.00 1.84 O ATOM 197 CB THR A 13 80.837 -2.285 -7.679 1.00 2.87 C ATOM 198 OG1 THR A 13 79.436 -2.488 -7.800 1.00 2.80 O ATOM 199 CG2 THR A 13 81.487 -3.539 -7.094 1.00 3.47 C ATOM 0 H THR A 13 79.399 -1.637 -5.589 1.00 1.74 H new ATOM 0 HA THR A 13 82.166 -0.925 -6.603 1.00 2.37 H new ATOM 0 HB THR A 13 81.262 -2.085 -8.662 1.00 2.87 H new ATOM 0 HG1 THR A 13 79.266 -3.251 -8.391 1.00 2.80 H new ATOM 0 HG21 THR A 13 81.298 -4.387 -7.752 1.00 3.47 H new ATOM 0 HG22 THR A 13 82.562 -3.383 -7.003 1.00 3.47 H new ATOM 0 HG23 THR A 13 81.065 -3.742 -6.110 1.00 3.47 H new ATOM 207 N GLU A 14 81.255 0.816 -8.254 1.00 2.79 N ATOM 208 CA GLU A 14 80.746 2.069 -8.884 1.00 2.85 C ATOM 209 C GLU A 14 79.528 1.759 -9.758 1.00 2.54 C ATOM 210 O GLU A 14 78.462 2.309 -9.570 1.00 2.21 O ATOM 211 CB GLU A 14 81.906 2.583 -9.738 1.00 3.57 C ATOM 212 CG GLU A 14 82.123 4.072 -9.460 1.00 3.91 C ATOM 213 CD GLU A 14 82.769 4.245 -8.084 1.00 4.24 C ATOM 214 OE1 GLU A 14 83.732 3.549 -7.811 1.00 4.48 O ATOM 215 OE2 GLU A 14 82.289 5.073 -7.327 1.00 4.66 O ATOM 0 H GLU A 14 82.177 0.515 -8.568 1.00 2.79 H new ATOM 0 HA GLU A 14 80.429 2.806 -8.146 1.00 2.85 H new ATOM 0 HB2 GLU A 14 82.814 2.024 -9.512 1.00 3.57 H new ATOM 0 HB3 GLU A 14 81.691 2.427 -10.795 1.00 3.57 H new ATOM 0 HG2 GLU A 14 82.760 4.508 -10.230 1.00 3.91 H new ATOM 0 HG3 GLU A 14 81.171 4.602 -9.496 1.00 3.91 H new ATOM 222 N GLU A 15 79.678 0.879 -10.711 1.00 2.73 N ATOM 223 CA GLU A 15 78.525 0.534 -11.592 1.00 2.59 C ATOM 224 C GLU A 15 77.273 0.299 -10.743 1.00 2.19 C ATOM 225 O GLU A 15 76.164 0.541 -11.174 1.00 2.08 O ATOM 226 CB GLU A 15 78.941 -0.754 -12.303 1.00 3.01 C ATOM 227 CG GLU A 15 79.414 -1.779 -11.270 1.00 3.67 C ATOM 228 CD GLU A 15 79.447 -3.168 -11.908 1.00 4.32 C ATOM 229 OE1 GLU A 15 79.917 -3.273 -13.030 1.00 4.98 O ATOM 230 OE2 GLU A 15 79.003 -4.104 -11.265 1.00 4.51 O ATOM 0 H GLU A 15 80.546 0.385 -10.917 1.00 2.73 H new ATOM 0 HA GLU A 15 78.289 1.329 -12.299 1.00 2.59 H new ATOM 0 HB2 GLU A 15 78.102 -1.155 -12.871 1.00 3.01 H new ATOM 0 HB3 GLU A 15 79.739 -0.547 -13.016 1.00 3.01 H new ATOM 0 HG2 GLU A 15 80.405 -1.512 -10.904 1.00 3.67 H new ATOM 0 HG3 GLU A 15 78.746 -1.778 -10.409 1.00 3.67 H new ATOM 237 N GLN A 16 77.447 -0.168 -9.537 1.00 2.04 N ATOM 238 CA GLN A 16 76.271 -0.417 -8.655 1.00 1.73 C ATOM 239 C GLN A 16 75.755 0.907 -8.086 1.00 1.35 C ATOM 240 O GLN A 16 74.573 1.188 -8.117 1.00 1.17 O ATOM 241 CB GLN A 16 76.802 -1.314 -7.536 1.00 1.74 C ATOM 242 CG GLN A 16 75.792 -1.352 -6.387 1.00 2.16 C ATOM 243 CD GLN A 16 75.917 -2.682 -5.641 1.00 2.30 C ATOM 244 OE1 GLN A 16 76.992 -3.239 -5.545 1.00 3.06 O ATOM 245 NE2 GLN A 16 74.855 -3.216 -5.104 1.00 2.19 N ATOM 0 H GLN A 16 78.353 -0.388 -9.124 1.00 2.04 H new ATOM 0 HA GLN A 16 75.440 -0.880 -9.187 1.00 1.73 H new ATOM 0 HB2 GLN A 16 76.975 -2.321 -7.915 1.00 1.74 H new ATOM 0 HB3 GLN A 16 77.761 -0.938 -7.179 1.00 1.74 H new ATOM 0 HG2 GLN A 16 75.971 -0.522 -5.704 1.00 2.16 H new ATOM 0 HG3 GLN A 16 74.780 -1.234 -6.774 1.00 2.16 H new ATOM 0 HE21 GLN A 16 73.952 -2.748 -5.185 1.00 2.19 H new ATOM 0 HE22 GLN A 16 74.927 -4.102 -4.603 1.00 2.19 H new ATOM 254 N LYS A 17 76.633 1.725 -7.571 1.00 1.41 N ATOM 255 CA LYS A 17 76.194 3.033 -7.006 1.00 1.21 C ATOM 256 C LYS A 17 75.794 3.986 -8.136 1.00 1.08 C ATOM 257 O LYS A 17 74.928 4.824 -7.980 1.00 0.97 O ATOM 258 CB LYS A 17 77.415 3.572 -6.258 1.00 1.52 C ATOM 259 CG LYS A 17 77.462 2.971 -4.852 1.00 2.28 C ATOM 260 CD LYS A 17 78.891 2.524 -4.536 1.00 2.64 C ATOM 261 CE LYS A 17 79.835 3.725 -4.622 1.00 2.74 C ATOM 262 NZ LYS A 17 81.170 3.195 -4.229 1.00 2.91 N ATOM 0 H LYS A 17 77.635 1.544 -7.517 1.00 1.41 H new ATOM 0 HA LYS A 17 75.328 2.932 -6.352 1.00 1.21 H new ATOM 0 HB2 LYS A 17 78.326 3.323 -6.802 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.367 4.659 -6.198 1.00 1.52 H new ATOM 0 HG2 LYS A 17 77.129 3.706 -4.119 1.00 2.28 H new ATOM 0 HG3 LYS A 17 76.781 2.123 -4.785 1.00 2.28 H new ATOM 0 HD2 LYS A 17 78.934 2.086 -3.539 1.00 2.64 H new ATOM 0 HD3 LYS A 17 79.205 1.751 -5.238 1.00 2.64 H new ATOM 0 HE2 LYS A 17 79.856 4.139 -5.630 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.516 4.526 -3.955 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 81.872 3.962 -4.264 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 81.121 2.814 -3.263 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 81.450 2.439 -4.886 1.00 2.91 H new ATOM 276 N ASN A 18 76.420 3.862 -9.274 1.00 1.19 N ATOM 277 CA ASN A 18 76.080 4.757 -10.417 1.00 1.13 C ATOM 278 C ASN A 18 74.618 4.564 -10.825 1.00 0.92 C ATOM 279 O ASN A 18 73.899 5.513 -11.065 1.00 0.77 O ATOM 280 CB ASN A 18 77.010 4.319 -11.549 1.00 1.38 C ATOM 281 CG ASN A 18 78.180 5.298 -11.665 1.00 1.81 C ATOM 282 OD1 ASN A 18 78.098 6.281 -12.375 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.275 5.068 -10.992 1.00 2.51 N ATOM 0 H ASN A 18 77.153 3.179 -9.462 1.00 1.19 H new ATOM 0 HA ASN A 18 76.204 5.811 -10.167 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.383 3.313 -11.357 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.461 4.281 -12.490 1.00 1.38 H new ATOM 0 HD21 ASN A 18 80.062 5.713 -11.062 1.00 2.51 H new ATOM 0 HD22 ASN A 18 79.344 4.243 -10.396 1.00 2.51 H new ATOM 290 N GLU A 19 74.175 3.340 -10.909 1.00 1.02 N ATOM 291 CA GLU A 19 72.762 3.085 -11.307 1.00 0.98 C ATOM 292 C GLU A 19 71.832 3.235 -10.100 1.00 0.83 C ATOM 293 O GLU A 19 70.709 3.683 -10.222 1.00 0.82 O ATOM 294 CB GLU A 19 72.749 1.645 -11.818 1.00 1.25 C ATOM 295 CG GLU A 19 72.142 1.608 -13.222 1.00 1.54 C ATOM 296 CD GLU A 19 73.253 1.404 -14.254 1.00 2.01 C ATOM 297 OE1 GLU A 19 74.409 1.514 -13.880 1.00 2.60 O ATOM 298 OE2 GLU A 19 72.929 1.141 -15.399 1.00 2.48 O ATOM 0 H GLU A 19 74.730 2.506 -10.719 1.00 1.02 H new ATOM 0 HA GLU A 19 72.414 3.790 -12.062 1.00 0.98 H new ATOM 0 HB2 GLU A 19 73.763 1.246 -11.838 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.171 1.014 -11.143 1.00 1.25 H new ATOM 0 HG2 GLU A 19 71.413 0.801 -13.293 1.00 1.54 H new ATOM 0 HG3 GLU A 19 71.610 2.538 -13.424 1.00 1.54 H new ATOM 305 N PHE A 20 72.287 2.860 -8.936 1.00 0.83 N ATOM 306 CA PHE A 20 71.425 2.981 -7.726 1.00 0.78 C ATOM 307 C PHE A 20 70.959 4.429 -7.550 1.00 0.69 C ATOM 308 O PHE A 20 69.825 4.686 -7.195 1.00 0.74 O ATOM 309 CB PHE A 20 72.319 2.559 -6.560 1.00 0.94 C ATOM 310 CG PHE A 20 72.235 1.063 -6.379 1.00 1.20 C ATOM 311 CD1 PHE A 20 72.083 0.230 -7.494 1.00 2.07 C ATOM 312 CD2 PHE A 20 72.309 0.507 -5.096 1.00 1.96 C ATOM 313 CE1 PHE A 20 72.005 -1.157 -7.328 1.00 2.93 C ATOM 314 CE2 PHE A 20 72.231 -0.881 -4.929 1.00 2.88 C ATOM 315 CZ PHE A 20 72.079 -1.712 -6.045 1.00 3.19 C ATOM 0 H PHE A 20 73.217 2.476 -8.770 1.00 0.83 H new ATOM 0 HA PHE A 20 70.528 2.366 -7.795 1.00 0.78 H new ATOM 0 HB2 PHE A 20 73.350 2.856 -6.752 1.00 0.94 H new ATOM 0 HB3 PHE A 20 72.007 3.065 -5.646 1.00 0.94 H new ATOM 0 HD1 PHE A 20 72.026 0.659 -8.484 1.00 2.07 H new ATOM 0 HD2 PHE A 20 72.426 1.149 -4.235 1.00 1.96 H new ATOM 0 HE1 PHE A 20 71.888 -1.799 -8.189 1.00 2.93 H new ATOM 0 HE2 PHE A 20 72.288 -1.310 -3.940 1.00 2.88 H new ATOM 0 HZ PHE A 20 72.019 -2.783 -5.916 1.00 3.19 H new ATOM 325 N LYS A 21 71.822 5.376 -7.796 1.00 0.73 N ATOM 326 CA LYS A 21 71.423 6.804 -7.644 1.00 0.83 C ATOM 327 C LYS A 21 70.281 7.138 -8.606 1.00 0.81 C ATOM 328 O LYS A 21 69.226 7.584 -8.202 1.00 0.97 O ATOM 329 CB LYS A 21 72.675 7.608 -7.996 1.00 1.00 C ATOM 330 CG LYS A 21 72.293 9.071 -8.228 1.00 1.37 C ATOM 331 CD LYS A 21 73.277 9.978 -7.488 1.00 1.81 C ATOM 332 CE LYS A 21 74.528 10.180 -8.346 1.00 2.52 C ATOM 333 NZ LYS A 21 75.454 10.975 -7.493 1.00 3.32 N ATOM 0 H LYS A 21 72.785 5.223 -8.095 1.00 0.73 H new ATOM 0 HA LYS A 21 71.067 7.028 -6.638 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.405 7.535 -7.190 1.00 1.00 H new ATOM 0 HB3 LYS A 21 73.144 7.197 -8.890 1.00 1.00 H new ATOM 0 HG2 LYS A 21 72.305 9.297 -9.294 1.00 1.37 H new ATOM 0 HG3 LYS A 21 71.278 9.253 -7.875 1.00 1.37 H new ATOM 0 HD2 LYS A 21 72.811 10.940 -7.273 1.00 1.81 H new ATOM 0 HD3 LYS A 21 73.548 9.534 -6.530 1.00 1.81 H new ATOM 0 HE2 LYS A 21 74.972 9.225 -8.628 1.00 2.52 H new ATOM 0 HE3 LYS A 21 74.292 10.707 -9.271 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 76.337 11.155 -8.013 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 75.007 11.881 -7.246 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 75.666 10.445 -6.623 1.00 3.32 H new ATOM 347 N ALA A 22 70.482 6.922 -9.877 1.00 0.78 N ATOM 348 CA ALA A 22 69.404 7.225 -10.861 1.00 0.87 C ATOM 349 C ALA A 22 68.067 6.678 -10.357 1.00 0.81 C ATOM 350 O ALA A 22 67.082 7.388 -10.283 1.00 0.83 O ATOM 351 CB ALA A 22 69.828 6.512 -12.145 1.00 0.97 C ATOM 0 H ALA A 22 71.344 6.550 -10.276 1.00 0.78 H new ATOM 0 HA ALA A 22 69.272 8.296 -11.017 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.083 6.687 -12.921 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.793 6.898 -12.474 1.00 0.97 H new ATOM 0 HB3 ALA A 22 69.911 5.442 -11.956 1.00 0.97 H new ATOM 357 N ALA A 23 68.023 5.423 -10.003 1.00 0.80 N ATOM 358 CA ALA A 23 66.750 4.837 -9.499 1.00 0.81 C ATOM 359 C ALA A 23 66.369 5.486 -8.167 1.00 0.74 C ATOM 360 O ALA A 23 65.210 5.710 -7.882 1.00 0.77 O ATOM 361 CB ALA A 23 67.046 3.348 -9.308 1.00 0.89 C ATOM 0 H ALA A 23 68.813 4.779 -10.041 1.00 0.80 H new ATOM 0 HA ALA A 23 65.917 4.999 -10.184 1.00 0.81 H new ATOM 0 HB1 ALA A 23 66.153 2.844 -8.937 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.340 2.910 -10.262 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.856 3.227 -8.589 1.00 0.89 H new ATOM 367 N PHE A 24 67.338 5.797 -7.351 1.00 0.71 N ATOM 368 CA PHE A 24 67.030 6.438 -6.042 1.00 0.72 C ATOM 369 C PHE A 24 66.124 7.652 -6.258 1.00 0.71 C ATOM 370 O PHE A 24 65.174 7.870 -5.533 1.00 0.73 O ATOM 371 CB PHE A 24 68.386 6.873 -5.486 1.00 0.82 C ATOM 372 CG PHE A 24 68.204 7.462 -4.108 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.776 8.786 -3.964 1.00 1.81 C ATOM 374 CD2 PHE A 24 68.467 6.684 -2.974 1.00 1.51 C ATOM 375 CE1 PHE A 24 67.611 9.334 -2.686 1.00 2.09 C ATOM 376 CE2 PHE A 24 68.301 7.231 -1.697 1.00 1.88 C ATOM 377 CZ PHE A 24 67.873 8.555 -1.552 1.00 1.85 C ATOM 0 H PHE A 24 68.328 5.635 -7.534 1.00 0.71 H new ATOM 0 HA PHE A 24 66.509 5.765 -5.361 1.00 0.72 H new ATOM 0 HB2 PHE A 24 69.062 6.020 -5.441 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.843 7.608 -6.149 1.00 0.82 H new ATOM 0 HD1 PHE A 24 67.573 9.386 -4.839 1.00 1.81 H new ATOM 0 HD2 PHE A 24 68.798 5.662 -3.085 1.00 1.51 H new ATOM 0 HE1 PHE A 24 67.282 10.357 -2.575 1.00 2.09 H new ATOM 0 HE2 PHE A 24 68.503 6.631 -0.822 1.00 1.88 H new ATOM 0 HZ PHE A 24 67.745 8.976 -0.566 1.00 1.85 H new ATOM 387 N ASP A 25 66.412 8.443 -7.254 1.00 0.81 N ATOM 388 CA ASP A 25 65.571 9.644 -7.523 1.00 0.97 C ATOM 389 C ASP A 25 64.208 9.227 -8.087 1.00 1.04 C ATOM 390 O ASP A 25 63.311 10.035 -8.225 1.00 1.23 O ATOM 391 CB ASP A 25 66.357 10.450 -8.559 1.00 1.18 C ATOM 392 CG ASP A 25 66.818 11.773 -7.942 1.00 1.57 C ATOM 393 OD1 ASP A 25 66.636 11.943 -6.747 1.00 1.98 O ATOM 394 OD2 ASP A 25 67.346 12.593 -8.675 1.00 2.18 O ATOM 0 H ASP A 25 67.195 8.310 -7.895 1.00 0.81 H new ATOM 0 HA ASP A 25 65.374 10.220 -6.619 1.00 0.97 H new ATOM 0 HB2 ASP A 25 67.219 9.878 -8.902 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.734 10.643 -9.433 1.00 1.18 H new ATOM 399 N ILE A 26 64.044 7.974 -8.423 1.00 0.99 N ATOM 400 CA ILE A 26 62.740 7.522 -8.985 1.00 1.18 C ATOM 401 C ILE A 26 61.750 7.187 -7.864 1.00 1.09 C ATOM 402 O ILE A 26 60.559 7.386 -8.000 1.00 1.23 O ATOM 403 CB ILE A 26 63.072 6.275 -9.797 1.00 1.38 C ATOM 404 CG1 ILE A 26 63.979 6.671 -10.968 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.775 5.660 -10.324 1.00 1.60 C ATOM 406 CD1 ILE A 26 63.950 5.584 -12.040 1.00 1.61 C ATOM 0 H ILE A 26 64.755 7.248 -8.332 1.00 0.99 H new ATOM 0 HA ILE A 26 62.269 8.295 -9.592 1.00 1.18 H new ATOM 0 HB ILE A 26 63.586 5.544 -9.173 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.648 7.620 -11.391 1.00 1.55 H new ATOM 0 HG13 ILE A 26 65.000 6.818 -10.615 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.006 4.768 -10.906 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.133 5.391 -9.485 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.261 6.383 -10.957 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.597 5.873 -12.869 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.303 4.644 -11.615 1.00 1.61 H new ATOM 0 HD13 ILE A 26 62.930 5.458 -12.403 1.00 1.61 H new ATOM 418 N PHE A 27 62.226 6.678 -6.761 1.00 0.94 N ATOM 419 CA PHE A 27 61.301 6.331 -5.644 1.00 0.95 C ATOM 420 C PHE A 27 60.947 7.581 -4.831 1.00 0.79 C ATOM 421 O PHE A 27 59.863 7.694 -4.294 1.00 0.87 O ATOM 422 CB PHE A 27 62.080 5.336 -4.784 1.00 1.05 C ATOM 423 CG PHE A 27 62.678 4.265 -5.665 1.00 1.28 C ATOM 424 CD1 PHE A 27 61.848 3.326 -6.292 1.00 1.97 C ATOM 425 CD2 PHE A 27 64.064 4.208 -5.855 1.00 1.67 C ATOM 426 CE1 PHE A 27 62.405 2.332 -7.107 1.00 2.24 C ATOM 427 CE2 PHE A 27 64.620 3.214 -6.669 1.00 1.91 C ATOM 428 CZ PHE A 27 63.790 2.276 -7.295 1.00 1.91 C ATOM 0 H PHE A 27 63.212 6.488 -6.585 1.00 0.94 H new ATOM 0 HA PHE A 27 60.360 5.915 -6.004 1.00 0.95 H new ATOM 0 HB2 PHE A 27 62.868 5.852 -4.236 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.420 4.885 -4.043 1.00 1.05 H new ATOM 0 HD1 PHE A 27 60.779 3.369 -6.147 1.00 1.97 H new ATOM 0 HD2 PHE A 27 64.705 4.932 -5.373 1.00 1.67 H new ATOM 0 HE1 PHE A 27 61.765 1.609 -7.590 1.00 2.24 H new ATOM 0 HE2 PHE A 27 65.689 3.171 -6.814 1.00 1.91 H new ATOM 0 HZ PHE A 27 64.219 1.509 -7.923 1.00 1.91 H new ATOM 438 N VAL A 28 61.852 8.517 -4.732 1.00 0.76 N ATOM 439 CA VAL A 28 61.568 9.751 -3.948 1.00 0.78 C ATOM 440 C VAL A 28 60.708 10.722 -4.761 1.00 0.97 C ATOM 441 O VAL A 28 60.410 11.816 -4.323 1.00 1.39 O ATOM 442 CB VAL A 28 62.942 10.357 -3.671 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.815 9.332 -2.946 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.605 10.743 -4.996 1.00 1.34 C ATOM 0 H VAL A 28 62.777 8.479 -5.161 1.00 0.76 H new ATOM 0 HA VAL A 28 61.016 9.539 -3.033 1.00 0.78 H new ATOM 0 HB VAL A 28 62.829 11.244 -3.048 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.796 9.764 -2.748 1.00 1.33 H new ATOM 0 HG12 VAL A 28 63.344 9.055 -2.003 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.929 8.445 -3.569 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.586 11.176 -4.800 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.718 9.855 -5.618 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.984 11.473 -5.515 1.00 1.34 H new ATOM 454 N LEU A 29 60.306 10.336 -5.939 1.00 1.11 N ATOM 455 CA LEU A 29 59.467 11.243 -6.771 1.00 1.39 C ATOM 456 C LEU A 29 58.320 11.815 -5.934 1.00 1.56 C ATOM 457 O LEU A 29 57.292 11.192 -5.764 1.00 1.98 O ATOM 458 CB LEU A 29 58.922 10.362 -7.894 1.00 1.45 C ATOM 459 CG LEU A 29 59.163 11.045 -9.241 1.00 1.71 C ATOM 460 CD1 LEU A 29 60.590 10.760 -9.713 1.00 2.28 C ATOM 461 CD2 LEU A 29 58.169 10.501 -10.268 1.00 2.41 C ATOM 0 H LEU A 29 60.522 9.433 -6.362 1.00 1.11 H new ATOM 0 HA LEU A 29 60.033 12.090 -7.157 1.00 1.39 H new ATOM 0 HB2 LEU A 29 59.410 9.388 -7.876 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.856 10.187 -7.749 1.00 1.45 H new ATOM 0 HG LEU A 29 59.027 12.121 -9.133 1.00 1.71 H new ATOM 0 HD11 LEU A 29 60.760 11.247 -10.673 1.00 2.28 H new ATOM 0 HD12 LEU A 29 61.299 11.145 -8.980 1.00 2.28 H new ATOM 0 HD13 LEU A 29 60.729 9.684 -9.823 1.00 2.28 H new ATOM 0 HD21 LEU A 29 58.338 10.986 -11.230 1.00 2.41 H new ATOM 0 HD22 LEU A 29 58.308 9.425 -10.374 1.00 2.41 H new ATOM 0 HD23 LEU A 29 57.152 10.704 -9.933 1.00 2.41 H new ATOM 473 N GLY A 30 58.490 12.998 -5.410 1.00 1.92 N ATOM 474 CA GLY A 30 57.412 13.610 -4.584 1.00 2.16 C ATOM 475 C GLY A 30 57.849 13.653 -3.118 1.00 1.95 C ATOM 476 O GLY A 30 57.231 14.299 -2.295 1.00 2.01 O ATOM 0 H GLY A 30 59.329 13.567 -5.519 1.00 1.92 H new ATOM 0 HA2 GLY A 30 57.196 14.618 -4.939 1.00 2.16 H new ATOM 0 HA3 GLY A 30 56.492 13.033 -4.683 1.00 2.16 H new ATOM 480 N ALA A 31 58.908 12.966 -2.783 1.00 1.94 N ATOM 481 CA ALA A 31 59.380 12.970 -1.367 1.00 1.87 C ATOM 482 C ALA A 31 59.473 14.404 -0.841 1.00 2.03 C ATOM 483 O ALA A 31 59.217 15.354 -1.554 1.00 2.28 O ATOM 484 CB ALA A 31 60.764 12.322 -1.407 1.00 1.50 C ATOM 0 H ALA A 31 59.466 12.404 -3.426 1.00 1.94 H new ATOM 0 HA ALA A 31 58.699 12.435 -0.705 1.00 1.87 H new ATOM 0 HB1 ALA A 31 61.179 12.288 -0.400 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.680 11.308 -1.799 1.00 1.50 H new ATOM 0 HB3 ALA A 31 61.421 12.907 -2.051 1.00 1.50 H new ATOM 490 N GLU A 32 59.838 14.569 0.402 1.00 2.22 N ATOM 491 CA GLU A 32 59.947 15.943 0.973 1.00 2.52 C ATOM 492 C GLU A 32 61.417 16.315 1.181 1.00 2.19 C ATOM 493 O GLU A 32 61.769 17.475 1.264 1.00 2.44 O ATOM 494 CB GLU A 32 59.211 15.876 2.313 1.00 3.02 C ATOM 495 CG GLU A 32 60.081 15.150 3.344 1.00 3.65 C ATOM 496 CD GLU A 32 59.313 15.022 4.661 1.00 4.03 C ATOM 497 OE1 GLU A 32 58.420 14.192 4.725 1.00 4.40 O ATOM 498 OE2 GLU A 32 59.630 15.753 5.584 1.00 4.34 O ATOM 0 H GLU A 32 60.065 13.812 1.047 1.00 2.22 H new ATOM 0 HA GLU A 32 59.521 16.699 0.314 1.00 2.52 H new ATOM 0 HB2 GLU A 32 58.979 16.882 2.662 1.00 3.02 H new ATOM 0 HB3 GLU A 32 58.262 15.354 2.192 1.00 3.02 H new ATOM 0 HG2 GLU A 32 60.355 14.162 2.973 1.00 3.65 H new ATOM 0 HG3 GLU A 32 61.009 15.699 3.504 1.00 3.65 H new ATOM 505 N ASP A 33 62.278 15.339 1.270 1.00 1.88 N ATOM 506 CA ASP A 33 63.725 15.637 1.478 1.00 1.82 C ATOM 507 C ASP A 33 64.583 14.762 0.560 1.00 1.49 C ATOM 508 O ASP A 33 65.787 14.684 0.708 1.00 1.70 O ATOM 509 CB ASP A 33 63.993 15.295 2.945 1.00 2.02 C ATOM 510 CG ASP A 33 63.329 13.960 3.291 1.00 2.43 C ATOM 511 OD1 ASP A 33 63.236 13.120 2.411 1.00 2.98 O ATOM 512 OD2 ASP A 33 62.924 13.802 4.431 1.00 2.79 O ATOM 0 H ASP A 33 62.043 14.348 1.208 1.00 1.88 H new ATOM 0 HA ASP A 33 63.969 16.674 1.249 1.00 1.82 H new ATOM 0 HB2 ASP A 33 65.066 15.236 3.125 1.00 2.02 H new ATOM 0 HB3 ASP A 33 63.605 16.084 3.589 1.00 2.02 H new ATOM 517 N GLY A 34 63.973 14.103 -0.386 1.00 1.25 N ATOM 518 CA GLY A 34 64.756 13.234 -1.309 1.00 1.06 C ATOM 519 C GLY A 34 65.086 11.916 -0.606 1.00 0.97 C ATOM 520 O GLY A 34 66.236 11.576 -0.414 1.00 1.19 O ATOM 0 H GLY A 34 62.968 14.128 -0.560 1.00 1.25 H new ATOM 0 HA2 GLY A 34 64.185 13.042 -2.217 1.00 1.06 H new ATOM 0 HA3 GLY A 34 65.674 13.738 -1.610 1.00 1.06 H new ATOM 524 N CYS A 35 64.086 11.173 -0.218 1.00 0.83 N ATOM 525 CA CYS A 35 64.344 9.879 0.475 1.00 0.79 C ATOM 526 C CYS A 35 63.375 8.804 -0.026 1.00 0.72 C ATOM 527 O CYS A 35 62.290 9.098 -0.486 1.00 0.75 O ATOM 528 CB CYS A 35 64.099 10.170 1.956 1.00 0.83 C ATOM 529 SG CYS A 35 65.622 10.794 2.708 1.00 1.87 S ATOM 0 H CYS A 35 63.102 11.406 -0.351 1.00 0.83 H new ATOM 0 HA CYS A 35 65.352 9.507 0.291 1.00 0.79 H new ATOM 0 HB2 CYS A 35 63.300 10.903 2.066 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.773 9.264 2.467 1.00 0.83 H new ATOM 0 HG CYS A 35 66.392 11.286 1.784 1.00 1.87 H new ATOM 535 N ILE A 36 63.757 7.560 0.064 1.00 0.68 N ATOM 536 CA ILE A 36 62.856 6.464 -0.403 1.00 0.69 C ATOM 537 C ILE A 36 62.172 5.814 0.804 1.00 0.78 C ATOM 538 O ILE A 36 62.686 4.885 1.396 1.00 0.91 O ATOM 539 CB ILE A 36 63.765 5.456 -1.122 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.886 6.191 -1.865 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.938 4.659 -2.132 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.851 5.170 -2.471 1.00 0.76 C ATOM 0 H ILE A 36 64.654 7.253 0.441 1.00 0.68 H new ATOM 0 HA ILE A 36 62.071 6.828 -1.066 1.00 0.69 H new ATOM 0 HB ILE A 36 64.203 4.785 -0.383 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.465 6.820 -2.650 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.420 6.850 -1.180 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.581 3.943 -2.644 1.00 0.65 H new ATOM 0 HG22 ILE A 36 62.143 4.126 -1.611 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.500 5.340 -2.862 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.648 5.692 -3.000 1.00 0.76 H new ATOM 0 HD12 ILE A 36 66.281 4.560 -1.677 1.00 0.76 H new ATOM 0 HD13 ILE A 36 65.312 4.530 -3.169 1.00 0.76 H new ATOM 554 N SER A 37 61.022 6.306 1.181 1.00 0.79 N ATOM 555 CA SER A 37 60.306 5.732 2.359 1.00 0.91 C ATOM 556 C SER A 37 59.909 4.276 2.103 1.00 0.85 C ATOM 557 O SER A 37 60.106 3.745 1.028 1.00 0.92 O ATOM 558 CB SER A 37 59.062 6.602 2.526 1.00 1.09 C ATOM 559 OG SER A 37 58.289 6.551 1.334 1.00 1.94 O ATOM 0 H SER A 37 60.546 7.083 0.723 1.00 0.79 H new ATOM 0 HA SER A 37 60.932 5.729 3.251 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.470 6.252 3.372 1.00 1.09 H new ATOM 0 HB3 SER A 37 59.350 7.631 2.742 1.00 1.09 H new ATOM 0 HG SER A 37 57.489 7.107 1.439 1.00 1.94 H new ATOM 565 N THR A 38 59.350 3.628 3.092 1.00 0.88 N ATOM 566 CA THR A 38 58.937 2.206 2.920 1.00 1.02 C ATOM 567 C THR A 38 57.724 2.113 1.990 1.00 1.13 C ATOM 568 O THR A 38 57.535 1.132 1.299 1.00 1.48 O ATOM 569 CB THR A 38 58.574 1.725 4.326 1.00 1.12 C ATOM 570 OG1 THR A 38 57.969 0.442 4.243 1.00 1.47 O ATOM 571 CG2 THR A 38 57.600 2.710 4.972 1.00 1.25 C ATOM 0 H THR A 38 59.162 4.024 4.013 1.00 0.88 H new ATOM 0 HA THR A 38 59.725 1.600 2.473 1.00 1.02 H new ATOM 0 HB THR A 38 59.477 1.664 4.933 1.00 1.12 H new ATOM 0 HG1 THR A 38 57.737 0.131 5.143 1.00 1.47 H new ATOM 0 HG21 THR A 38 57.344 2.364 5.973 1.00 1.25 H new ATOM 0 HG22 THR A 38 58.066 3.693 5.036 1.00 1.25 H new ATOM 0 HG23 THR A 38 56.695 2.776 4.368 1.00 1.25 H new ATOM 579 N LYS A 39 56.900 3.125 1.967 1.00 1.09 N ATOM 580 CA LYS A 39 55.704 3.087 1.078 1.00 1.33 C ATOM 581 C LYS A 39 56.141 2.915 -0.378 1.00 1.20 C ATOM 582 O LYS A 39 55.494 2.248 -1.158 1.00 1.45 O ATOM 583 CB LYS A 39 55.016 4.438 1.280 1.00 1.57 C ATOM 584 CG LYS A 39 53.502 4.232 1.349 1.00 2.27 C ATOM 585 CD LYS A 39 52.880 5.296 2.254 1.00 2.86 C ATOM 586 CE LYS A 39 52.908 4.814 3.706 1.00 3.52 C ATOM 587 NZ LYS A 39 52.704 6.043 4.523 1.00 4.37 N ATOM 0 H LYS A 39 57.003 3.974 2.523 1.00 1.09 H new ATOM 0 HA LYS A 39 55.038 2.256 1.311 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.373 4.906 2.197 1.00 1.57 H new ATOM 0 HB3 LYS A 39 55.265 5.112 0.460 1.00 1.57 H new ATOM 0 HG2 LYS A 39 53.071 4.293 0.350 1.00 2.27 H new ATOM 0 HG3 LYS A 39 53.277 3.237 1.733 1.00 2.27 H new ATOM 0 HD2 LYS A 39 53.428 6.233 2.161 1.00 2.86 H new ATOM 0 HD3 LYS A 39 51.854 5.495 1.946 1.00 2.86 H new ATOM 0 HE2 LYS A 39 52.124 4.080 3.894 1.00 3.52 H new ATOM 0 HE3 LYS A 39 53.857 4.334 3.945 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 52.711 5.794 5.533 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 53.469 6.720 4.328 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 51.790 6.474 4.279 1.00 4.37 H new ATOM 601 N GLU A 40 57.244 3.509 -0.745 1.00 0.96 N ATOM 602 CA GLU A 40 57.734 3.377 -2.146 1.00 0.95 C ATOM 603 C GLU A 40 58.960 2.462 -2.182 1.00 0.84 C ATOM 604 O GLU A 40 59.674 2.397 -3.163 1.00 0.95 O ATOM 605 CB GLU A 40 58.112 4.798 -2.567 1.00 1.08 C ATOM 606 CG GLU A 40 57.267 5.217 -3.772 1.00 1.33 C ATOM 607 CD GLU A 40 56.949 6.709 -3.678 1.00 1.85 C ATOM 608 OE1 GLU A 40 57.624 7.393 -2.926 1.00 1.99 O ATOM 609 OE2 GLU A 40 56.037 7.145 -4.362 1.00 2.70 O ATOM 0 H GLU A 40 57.827 4.081 -0.134 1.00 0.96 H new ATOM 0 HA GLU A 40 56.988 2.942 -2.811 1.00 0.95 H new ATOM 0 HB2 GLU A 40 57.951 5.489 -1.739 1.00 1.08 H new ATOM 0 HB3 GLU A 40 59.171 4.844 -2.819 1.00 1.08 H new ATOM 0 HG2 GLU A 40 57.804 5.006 -4.697 1.00 1.33 H new ATOM 0 HG3 GLU A 40 56.344 4.639 -3.801 1.00 1.33 H new ATOM 616 N LEU A 41 59.208 1.755 -1.113 1.00 0.81 N ATOM 617 CA LEU A 41 60.386 0.842 -1.072 1.00 0.75 C ATOM 618 C LEU A 41 60.031 -0.509 -1.699 1.00 0.77 C ATOM 619 O LEU A 41 60.783 -1.058 -2.480 1.00 0.77 O ATOM 620 CB LEU A 41 60.704 0.681 0.416 1.00 0.82 C ATOM 621 CG LEU A 41 61.980 -0.146 0.589 1.00 0.89 C ATOM 622 CD1 LEU A 41 61.683 -1.616 0.288 1.00 1.10 C ATOM 623 CD2 LEU A 41 63.057 0.362 -0.374 1.00 1.20 C ATOM 0 H LEU A 41 58.644 1.771 -0.264 1.00 0.81 H new ATOM 0 HA LEU A 41 61.236 1.234 -1.631 1.00 0.75 H new ATOM 0 HB2 LEU A 41 60.829 1.660 0.878 1.00 0.82 H new ATOM 0 HB3 LEU A 41 59.872 0.193 0.924 1.00 0.82 H new ATOM 0 HG LEU A 41 62.335 -0.049 1.615 1.00 0.89 H new ATOM 0 HD11 LEU A 41 62.593 -2.204 0.412 1.00 1.10 H new ATOM 0 HD12 LEU A 41 60.919 -1.981 0.975 1.00 1.10 H new ATOM 0 HD13 LEU A 41 61.325 -1.712 -0.737 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.965 -0.228 -0.249 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.701 0.268 -1.400 1.00 1.20 H new ATOM 0 HD23 LEU A 41 63.273 1.409 -0.159 1.00 1.20 H new ATOM 635 N GLY A 42 58.891 -1.047 -1.365 1.00 0.88 N ATOM 636 CA GLY A 42 58.490 -2.361 -1.943 1.00 1.02 C ATOM 637 C GLY A 42 58.614 -2.308 -3.466 1.00 0.99 C ATOM 638 O GLY A 42 59.266 -3.133 -4.075 1.00 1.11 O ATOM 0 H GLY A 42 58.220 -0.634 -0.717 1.00 0.88 H new ATOM 0 HA2 GLY A 42 59.122 -3.154 -1.544 1.00 1.02 H new ATOM 0 HA3 GLY A 42 57.465 -2.597 -1.659 1.00 1.02 H new ATOM 642 N LYS A 43 57.994 -1.343 -4.088 1.00 0.91 N ATOM 643 CA LYS A 43 58.082 -1.241 -5.573 1.00 1.00 C ATOM 644 C LYS A 43 59.540 -1.372 -6.020 1.00 0.84 C ATOM 645 O LYS A 43 59.832 -1.909 -7.070 1.00 0.89 O ATOM 646 CB LYS A 43 57.535 0.145 -5.912 1.00 1.12 C ATOM 647 CG LYS A 43 56.012 0.076 -6.030 1.00 1.32 C ATOM 648 CD LYS A 43 55.608 0.176 -7.503 1.00 1.85 C ATOM 649 CE LYS A 43 54.275 0.918 -7.619 1.00 2.24 C ATOM 650 NZ LYS A 43 54.477 1.903 -8.717 1.00 2.80 N ATOM 0 H LYS A 43 57.432 -0.623 -3.634 1.00 0.91 H new ATOM 0 HA LYS A 43 57.522 -2.029 -6.077 1.00 1.00 H new ATOM 0 HB2 LYS A 43 57.819 0.859 -5.139 1.00 1.12 H new ATOM 0 HB3 LYS A 43 57.967 0.500 -6.848 1.00 1.12 H new ATOM 0 HG2 LYS A 43 55.646 -0.858 -5.604 1.00 1.32 H new ATOM 0 HG3 LYS A 43 55.556 0.886 -5.461 1.00 1.32 H new ATOM 0 HD2 LYS A 43 56.379 0.701 -8.067 1.00 1.85 H new ATOM 0 HD3 LYS A 43 55.520 -0.821 -7.935 1.00 1.85 H new ATOM 0 HE2 LYS A 43 53.460 0.232 -7.849 1.00 2.24 H new ATOM 0 HE3 LYS A 43 54.018 1.416 -6.684 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 53.604 2.451 -8.856 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 55.254 2.547 -8.467 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 54.714 1.400 -9.596 1.00 2.80 H new ATOM 664 N VAL A 44 60.458 -0.889 -5.228 1.00 0.75 N ATOM 665 CA VAL A 44 61.897 -0.992 -5.607 1.00 0.68 C ATOM 666 C VAL A 44 62.342 -2.456 -5.560 1.00 0.68 C ATOM 667 O VAL A 44 62.669 -3.046 -6.571 1.00 0.76 O ATOM 668 CB VAL A 44 62.644 -0.166 -4.561 1.00 0.72 C ATOM 669 CG1 VAL A 44 64.076 0.084 -5.036 1.00 1.10 C ATOM 670 CG2 VAL A 44 61.931 1.174 -4.368 1.00 1.70 C ATOM 0 H VAL A 44 60.275 -0.428 -4.337 1.00 0.75 H new ATOM 0 HA VAL A 44 62.090 -0.631 -6.617 1.00 0.68 H new ATOM 0 HB VAL A 44 62.664 -0.708 -3.616 1.00 0.72 H new ATOM 0 HG11 VAL A 44 64.609 0.673 -4.290 1.00 1.10 H new ATOM 0 HG12 VAL A 44 64.585 -0.870 -5.176 1.00 1.10 H new ATOM 0 HG13 VAL A 44 64.056 0.627 -5.981 1.00 1.10 H new ATOM 0 HG21 VAL A 44 62.462 1.765 -3.622 1.00 1.70 H new ATOM 0 HG22 VAL A 44 61.912 1.716 -5.314 1.00 1.70 H new ATOM 0 HG23 VAL A 44 60.910 0.997 -4.031 1.00 1.70 H new ATOM 680 N MET A 45 62.348 -3.050 -4.398 1.00 0.79 N ATOM 681 CA MET A 45 62.760 -4.479 -4.296 1.00 0.99 C ATOM 682 C MET A 45 61.914 -5.324 -5.248 1.00 1.03 C ATOM 683 O MET A 45 62.288 -6.415 -5.631 1.00 1.16 O ATOM 684 CB MET A 45 62.484 -4.871 -2.843 1.00 1.26 C ATOM 685 CG MET A 45 63.604 -4.342 -1.945 1.00 1.54 C ATOM 686 SD MET A 45 64.640 -5.722 -1.398 1.00 2.11 S ATOM 687 CE MET A 45 66.240 -4.926 -1.672 1.00 1.74 C ATOM 0 H MET A 45 62.086 -2.609 -3.516 1.00 0.79 H new ATOM 0 HA MET A 45 63.805 -4.634 -4.563 1.00 0.99 H new ATOM 0 HB2 MET A 45 61.525 -4.464 -2.522 1.00 1.26 H new ATOM 0 HB3 MET A 45 62.416 -5.955 -2.755 1.00 1.26 H new ATOM 0 HG2 MET A 45 64.207 -3.614 -2.488 1.00 1.54 H new ATOM 0 HG3 MET A 45 63.181 -3.827 -1.083 1.00 1.54 H new ATOM 0 HE1 MET A 45 67.038 -5.655 -1.531 1.00 1.74 H new ATOM 0 HE2 MET A 45 66.282 -4.534 -2.688 1.00 1.74 H new ATOM 0 HE3 MET A 45 66.366 -4.109 -0.962 1.00 1.74 H new ATOM 697 N ARG A 46 60.773 -4.823 -5.633 1.00 1.05 N ATOM 698 CA ARG A 46 59.893 -5.586 -6.562 1.00 1.22 C ATOM 699 C ARG A 46 60.425 -5.477 -7.992 1.00 1.26 C ATOM 700 O ARG A 46 60.548 -6.461 -8.695 1.00 1.51 O ATOM 701 CB ARG A 46 58.524 -4.916 -6.445 1.00 1.28 C ATOM 702 CG ARG A 46 57.626 -5.742 -5.524 1.00 1.46 C ATOM 703 CD ARG A 46 56.221 -5.824 -6.122 1.00 1.98 C ATOM 704 NE ARG A 46 55.503 -6.821 -5.279 1.00 2.34 N ATOM 705 CZ ARG A 46 54.770 -7.740 -5.841 1.00 2.82 C ATOM 706 NH1 ARG A 46 55.333 -8.794 -6.367 1.00 3.34 N ATOM 707 NH2 ARG A 46 53.473 -7.606 -5.879 1.00 3.26 N ATOM 0 H ARG A 46 60.411 -3.915 -5.343 1.00 1.05 H new ATOM 0 HA ARG A 46 59.848 -6.647 -6.318 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.635 -3.906 -6.051 1.00 1.28 H new ATOM 0 HB3 ARG A 46 58.067 -4.826 -7.430 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.038 -6.743 -5.398 1.00 1.46 H new ATOM 0 HG3 ARG A 46 57.586 -5.287 -4.534 1.00 1.46 H new ATOM 0 HD2 ARG A 46 55.724 -4.854 -6.097 1.00 1.98 H new ATOM 0 HD3 ARG A 46 56.253 -6.139 -7.165 1.00 1.98 H new ATOM 0 HE ARG A 46 55.585 -6.784 -4.263 1.00 2.34 H new ATOM 0 HH11 ARG A 46 56.347 -8.898 -6.338 1.00 3.34 H new ATOM 0 HH12 ARG A 46 54.759 -9.513 -6.807 1.00 3.34 H new ATOM 0 HH21 ARG A 46 53.033 -6.782 -5.469 1.00 3.26 H new ATOM 0 HH22 ARG A 46 52.899 -8.325 -6.319 1.00 3.26 H new ATOM 721 N MET A 47 60.742 -4.288 -8.427 1.00 1.11 N ATOM 722 CA MET A 47 61.269 -4.118 -9.811 1.00 1.26 C ATOM 723 C MET A 47 62.773 -4.429 -9.829 1.00 1.19 C ATOM 724 O MET A 47 63.251 -5.177 -10.659 1.00 1.31 O ATOM 725 CB MET A 47 60.959 -2.650 -10.167 1.00 1.28 C ATOM 726 CG MET A 47 62.244 -1.850 -10.429 1.00 1.46 C ATOM 727 SD MET A 47 61.831 -0.313 -11.290 1.00 1.99 S ATOM 728 CE MET A 47 61.417 0.666 -9.824 1.00 2.19 C ATOM 0 H MET A 47 60.659 -3.428 -7.885 1.00 1.11 H new ATOM 0 HA MET A 47 60.818 -4.793 -10.539 1.00 1.26 H new ATOM 0 HB2 MET A 47 60.322 -2.616 -11.050 1.00 1.28 H new ATOM 0 HB3 MET A 47 60.401 -2.187 -9.353 1.00 1.28 H new ATOM 0 HG2 MET A 47 62.746 -1.628 -9.487 1.00 1.46 H new ATOM 0 HG3 MET A 47 62.937 -2.440 -11.028 1.00 1.46 H new ATOM 0 HE1 MET A 47 60.337 0.808 -9.775 1.00 2.19 H new ATOM 0 HE2 MET A 47 61.755 0.143 -8.930 1.00 2.19 H new ATOM 0 HE3 MET A 47 61.909 1.637 -9.884 1.00 2.19 H new ATOM 738 N LEU A 48 63.517 -3.863 -8.917 1.00 1.09 N ATOM 739 CA LEU A 48 64.984 -4.132 -8.876 1.00 1.18 C ATOM 740 C LEU A 48 65.254 -5.619 -9.114 1.00 1.51 C ATOM 741 O LEU A 48 65.909 -6.000 -10.063 1.00 1.89 O ATOM 742 CB LEU A 48 65.415 -3.735 -7.465 1.00 1.18 C ATOM 743 CG LEU A 48 65.778 -2.249 -7.437 1.00 1.35 C ATOM 744 CD1 LEU A 48 67.119 -2.039 -8.141 1.00 2.05 C ATOM 745 CD2 LEU A 48 64.693 -1.442 -8.156 1.00 1.70 C ATOM 0 H LEU A 48 63.173 -3.226 -8.199 1.00 1.09 H new ATOM 0 HA LEU A 48 65.528 -3.581 -9.643 1.00 1.18 H new ATOM 0 HB2 LEU A 48 64.610 -3.936 -6.758 1.00 1.18 H new ATOM 0 HB3 LEU A 48 66.270 -4.334 -7.153 1.00 1.18 H new ATOM 0 HG LEU A 48 65.853 -1.914 -6.402 1.00 1.35 H new ATOM 0 HD11 LEU A 48 67.378 -0.980 -8.122 1.00 2.05 H new ATOM 0 HD12 LEU A 48 67.892 -2.612 -7.629 1.00 2.05 H new ATOM 0 HD13 LEU A 48 67.044 -2.375 -9.175 1.00 2.05 H new ATOM 0 HD21 LEU A 48 64.953 -0.384 -8.135 1.00 1.70 H new ATOM 0 HD22 LEU A 48 64.616 -1.777 -9.191 1.00 1.70 H new ATOM 0 HD23 LEU A 48 63.737 -1.591 -7.655 1.00 1.70 H new ATOM 757 N GLY A 49 64.749 -6.459 -8.254 1.00 1.56 N ATOM 758 CA GLY A 49 64.969 -7.923 -8.422 1.00 1.97 C ATOM 759 C GLY A 49 64.839 -8.628 -7.069 1.00 1.69 C ATOM 760 O GLY A 49 65.511 -9.604 -6.802 1.00 1.87 O ATOM 0 H GLY A 49 64.193 -6.195 -7.441 1.00 1.56 H new ATOM 0 HA2 GLY A 49 64.243 -8.330 -9.125 1.00 1.97 H new ATOM 0 HA3 GLY A 49 65.958 -8.105 -8.843 1.00 1.97 H new ATOM 764 N GLN A 50 63.978 -8.146 -6.212 1.00 1.38 N ATOM 765 CA GLN A 50 63.807 -8.796 -4.881 1.00 1.26 C ATOM 766 C GLN A 50 62.326 -9.091 -4.627 1.00 1.19 C ATOM 767 O GLN A 50 61.464 -8.659 -5.365 1.00 1.25 O ATOM 768 CB GLN A 50 64.331 -7.777 -3.868 1.00 1.39 C ATOM 769 CG GLN A 50 65.808 -7.491 -4.145 1.00 1.69 C ATOM 770 CD GLN A 50 66.666 -8.612 -3.559 1.00 2.12 C ATOM 771 OE1 GLN A 50 66.160 -9.656 -3.196 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.956 -8.442 -3.449 1.00 2.76 N ATOM 0 H GLN A 50 63.387 -7.331 -6.377 1.00 1.38 H new ATOM 0 HA GLN A 50 64.339 -9.745 -4.814 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.753 -6.855 -3.932 1.00 1.39 H new ATOM 0 HB3 GLN A 50 64.208 -8.160 -2.855 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.978 -7.412 -5.219 1.00 1.69 H new ATOM 0 HG3 GLN A 50 66.092 -6.535 -3.706 1.00 1.69 H new ATOM 0 HE21 GLN A 50 68.383 -7.567 -3.753 1.00 2.76 H new ATOM 0 HE22 GLN A 50 68.537 -9.184 -3.059 1.00 2.76 H new ATOM 781 N ASN A 51 62.024 -9.823 -3.589 1.00 1.22 N ATOM 782 CA ASN A 51 60.598 -10.141 -3.295 1.00 1.29 C ATOM 783 C ASN A 51 60.340 -10.083 -1.787 1.00 1.25 C ATOM 784 O ASN A 51 59.961 -11.066 -1.184 1.00 1.41 O ATOM 785 CB ASN A 51 60.392 -11.561 -3.820 1.00 1.54 C ATOM 786 CG ASN A 51 60.026 -11.507 -5.304 1.00 1.88 C ATOM 787 OD1 ASN A 51 60.054 -10.456 -5.911 1.00 2.25 O ATOM 788 ND2 ASN A 51 59.680 -12.606 -5.918 1.00 2.57 N ATOM 0 H ASN A 51 62.701 -10.213 -2.934 1.00 1.22 H new ATOM 0 HA ASN A 51 59.914 -9.431 -3.760 1.00 1.29 H new ATOM 0 HB2 ASN A 51 61.300 -12.148 -3.679 1.00 1.54 H new ATOM 0 HB3 ASN A 51 59.601 -12.057 -3.257 1.00 1.54 H new ATOM 0 HD21 ASN A 51 59.433 -12.581 -6.907 1.00 2.57 H new ATOM 0 HD22 ASN A 51 59.656 -13.489 -5.408 1.00 2.57 H new ATOM 795 N PRO A 52 60.553 -8.922 -1.231 1.00 1.15 N ATOM 796 CA PRO A 52 60.337 -8.723 0.222 1.00 1.20 C ATOM 797 C PRO A 52 58.838 -8.682 0.532 1.00 1.33 C ATOM 798 O PRO A 52 58.022 -8.442 -0.336 1.00 1.45 O ATOM 799 CB PRO A 52 60.987 -7.369 0.497 1.00 1.19 C ATOM 800 CG PRO A 52 60.957 -6.651 -0.815 1.00 1.20 C ATOM 801 CD PRO A 52 61.010 -7.698 -1.897 1.00 1.14 C ATOM 0 HA PRO A 52 60.755 -9.522 0.835 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.440 -6.817 1.262 1.00 1.19 H new ATOM 0 HB3 PRO A 52 62.008 -7.488 0.859 1.00 1.19 H new ATOM 0 HG2 PRO A 52 60.052 -6.051 -0.904 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.802 -5.968 -0.899 1.00 1.20 H new ATOM 0 HD2 PRO A 52 60.366 -7.437 -2.737 1.00 1.14 H new ATOM 0 HD3 PRO A 52 62.019 -7.812 -2.293 1.00 1.14 H new ATOM 809 N THR A 53 58.467 -8.917 1.760 1.00 1.39 N ATOM 810 CA THR A 53 57.019 -8.891 2.118 1.00 1.58 C ATOM 811 C THR A 53 56.571 -7.459 2.416 1.00 1.47 C ATOM 812 O THR A 53 57.386 -6.567 2.549 1.00 1.27 O ATOM 813 CB THR A 53 56.904 -9.765 3.367 1.00 1.77 C ATOM 814 OG1 THR A 53 58.159 -9.805 4.032 1.00 1.69 O ATOM 815 CG2 THR A 53 56.492 -11.181 2.963 1.00 1.97 C ATOM 0 H THR A 53 59.102 -9.126 2.531 1.00 1.39 H new ATOM 0 HA THR A 53 56.387 -9.255 1.308 1.00 1.58 H new ATOM 0 HB THR A 53 56.152 -9.347 4.036 1.00 1.77 H new ATOM 0 HG1 THR A 53 58.668 -10.584 3.724 1.00 1.69 H new ATOM 0 HG21 THR A 53 56.410 -11.804 3.854 1.00 1.97 H new ATOM 0 HG22 THR A 53 55.529 -11.148 2.453 1.00 1.97 H new ATOM 0 HG23 THR A 53 57.243 -11.601 2.294 1.00 1.97 H new ATOM 823 N PRO A 54 55.280 -7.287 2.510 1.00 1.64 N ATOM 824 CA PRO A 54 54.709 -5.948 2.794 1.00 1.63 C ATOM 825 C PRO A 54 54.964 -5.557 4.252 1.00 1.55 C ATOM 826 O PRO A 54 55.285 -4.424 4.553 1.00 1.47 O ATOM 827 CB PRO A 54 53.217 -6.132 2.529 1.00 1.92 C ATOM 828 CG PRO A 54 52.966 -7.594 2.721 1.00 2.08 C ATOM 829 CD PRO A 54 54.242 -8.313 2.365 1.00 1.93 C ATOM 0 HA PRO A 54 55.148 -5.156 2.188 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.618 -5.535 3.217 1.00 1.92 H new ATOM 0 HB3 PRO A 54 52.954 -5.816 1.520 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.680 -7.804 3.752 1.00 2.08 H new ATOM 0 HG3 PRO A 54 52.145 -7.930 2.088 1.00 2.08 H new ATOM 0 HD2 PRO A 54 54.422 -9.159 3.028 1.00 1.93 H new ATOM 0 HD3 PRO A 54 54.208 -8.706 1.349 1.00 1.93 H new ATOM 837 N GLU A 55 54.828 -6.485 5.158 1.00 1.61 N ATOM 838 CA GLU A 55 55.070 -6.164 6.594 1.00 1.58 C ATOM 839 C GLU A 55 56.567 -5.954 6.837 1.00 1.42 C ATOM 840 O GLU A 55 56.965 -5.224 7.723 1.00 1.36 O ATOM 841 CB GLU A 55 54.566 -7.384 7.364 1.00 1.74 C ATOM 842 CG GLU A 55 53.462 -6.957 8.333 1.00 2.16 C ATOM 843 CD GLU A 55 52.316 -7.968 8.281 1.00 2.56 C ATOM 844 OE1 GLU A 55 51.580 -7.951 7.307 1.00 3.10 O ATOM 845 OE2 GLU A 55 52.192 -8.743 9.215 1.00 2.83 O ATOM 0 H GLU A 55 54.560 -7.451 4.967 1.00 1.61 H new ATOM 0 HA GLU A 55 54.564 -5.251 6.907 1.00 1.58 H new ATOM 0 HB2 GLU A 55 54.185 -8.133 6.670 1.00 1.74 H new ATOM 0 HB3 GLU A 55 55.387 -7.846 7.912 1.00 1.74 H new ATOM 0 HG2 GLU A 55 53.858 -6.893 9.346 1.00 2.16 H new ATOM 0 HG3 GLU A 55 53.097 -5.964 8.070 1.00 2.16 H new ATOM 852 N GLU A 56 57.398 -6.586 6.053 1.00 1.38 N ATOM 853 CA GLU A 56 58.870 -6.423 6.236 1.00 1.26 C ATOM 854 C GLU A 56 59.318 -5.048 5.731 1.00 1.14 C ATOM 855 O GLU A 56 60.281 -4.484 6.211 1.00 1.07 O ATOM 856 CB GLU A 56 59.498 -7.533 5.391 1.00 1.32 C ATOM 857 CG GLU A 56 59.715 -8.775 6.257 1.00 2.10 C ATOM 858 CD GLU A 56 60.615 -8.420 7.442 1.00 2.79 C ATOM 859 OE1 GLU A 56 61.184 -7.341 7.426 1.00 3.18 O ATOM 860 OE2 GLU A 56 60.719 -9.234 8.346 1.00 3.40 O ATOM 0 H GLU A 56 57.122 -7.208 5.293 1.00 1.38 H new ATOM 0 HA GLU A 56 59.165 -6.489 7.283 1.00 1.26 H new ATOM 0 HB2 GLU A 56 58.850 -7.773 4.548 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.448 -7.195 4.977 1.00 1.32 H new ATOM 0 HG2 GLU A 56 58.758 -9.154 6.615 1.00 2.10 H new ATOM 0 HG3 GLU A 56 60.171 -9.569 5.665 1.00 2.10 H new ATOM 867 N LEU A 57 58.627 -4.505 4.767 1.00 1.17 N ATOM 868 CA LEU A 57 59.015 -3.167 4.232 1.00 1.13 C ATOM 869 C LEU A 57 59.369 -2.220 5.382 1.00 1.06 C ATOM 870 O LEU A 57 60.405 -1.587 5.382 1.00 1.02 O ATOM 871 CB LEU A 57 57.777 -2.665 3.486 1.00 1.24 C ATOM 872 CG LEU A 57 57.716 -3.314 2.103 1.00 1.41 C ATOM 873 CD1 LEU A 57 56.557 -2.715 1.307 1.00 1.93 C ATOM 874 CD2 LEU A 57 59.031 -3.055 1.363 1.00 1.87 C ATOM 0 H LEU A 57 57.811 -4.929 4.326 1.00 1.17 H new ATOM 0 HA LEU A 57 59.889 -3.219 3.583 1.00 1.13 H new ATOM 0 HB2 LEU A 57 56.877 -2.905 4.052 1.00 1.24 H new ATOM 0 HB3 LEU A 57 57.813 -1.580 3.389 1.00 1.24 H new ATOM 0 HG LEU A 57 57.563 -4.388 2.212 1.00 1.41 H new ATOM 0 HD11 LEU A 57 56.515 -3.178 0.321 1.00 1.93 H new ATOM 0 HD12 LEU A 57 55.621 -2.898 1.834 1.00 1.93 H new ATOM 0 HD13 LEU A 57 56.708 -1.641 1.197 1.00 1.93 H new ATOM 0 HD21 LEU A 57 58.990 -3.517 0.376 1.00 1.87 H new ATOM 0 HD22 LEU A 57 59.182 -1.981 1.255 1.00 1.87 H new ATOM 0 HD23 LEU A 57 59.858 -3.483 1.930 1.00 1.87 H new ATOM 886 N GLN A 58 58.513 -2.117 6.361 1.00 1.09 N ATOM 887 CA GLN A 58 58.799 -1.210 7.509 1.00 1.08 C ATOM 888 C GLN A 58 59.743 -1.895 8.504 1.00 1.04 C ATOM 889 O GLN A 58 60.497 -1.247 9.203 1.00 1.05 O ATOM 890 CB GLN A 58 57.437 -0.947 8.152 1.00 1.15 C ATOM 891 CG GLN A 58 57.633 -0.389 9.564 1.00 1.39 C ATOM 892 CD GLN A 58 58.325 0.972 9.483 1.00 1.62 C ATOM 893 OE1 GLN A 58 57.743 1.937 9.029 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.553 1.092 9.909 1.00 1.88 N ATOM 0 H GLN A 58 57.628 -2.621 6.416 1.00 1.09 H new ATOM 0 HA GLN A 58 59.287 -0.287 7.196 1.00 1.08 H new ATOM 0 HB2 GLN A 58 56.869 -0.241 7.547 1.00 1.15 H new ATOM 0 HB3 GLN A 58 56.859 -1.870 8.192 1.00 1.15 H new ATOM 0 HG2 GLN A 58 56.670 -0.290 10.064 1.00 1.39 H new ATOM 0 HG3 GLN A 58 58.232 -1.078 10.159 1.00 1.39 H new ATOM 0 HE21 GLN A 58 60.042 0.282 10.290 1.00 1.88 H new ATOM 0 HE22 GLN A 58 60.024 1.996 9.861 1.00 1.88 H new ATOM 903 N GLU A 59 59.705 -3.197 8.576 1.00 1.07 N ATOM 904 CA GLU A 59 60.598 -3.916 9.531 1.00 1.09 C ATOM 905 C GLU A 59 62.026 -3.985 8.981 1.00 1.07 C ATOM 906 O GLU A 59 62.987 -3.966 9.723 1.00 1.08 O ATOM 907 CB GLU A 59 60.001 -5.319 9.650 1.00 1.17 C ATOM 908 CG GLU A 59 60.354 -5.910 11.017 1.00 1.28 C ATOM 909 CD GLU A 59 59.140 -6.644 11.587 1.00 1.84 C ATOM 910 OE1 GLU A 59 58.058 -6.462 11.053 1.00 2.18 O ATOM 911 OE2 GLU A 59 59.311 -7.377 12.547 1.00 2.48 O ATOM 0 H GLU A 59 59.096 -3.794 8.017 1.00 1.07 H new ATOM 0 HA GLU A 59 60.657 -3.413 10.496 1.00 1.09 H new ATOM 0 HB2 GLU A 59 58.919 -5.277 9.529 1.00 1.17 H new ATOM 0 HB3 GLU A 59 60.386 -5.958 8.855 1.00 1.17 H new ATOM 0 HG2 GLU A 59 61.195 -6.597 10.921 1.00 1.28 H new ATOM 0 HG3 GLU A 59 60.665 -5.118 11.698 1.00 1.28 H new ATOM 918 N MET A 60 62.173 -4.062 7.686 1.00 1.08 N ATOM 919 CA MET A 60 63.542 -4.131 7.097 1.00 1.09 C ATOM 920 C MET A 60 64.147 -2.729 6.996 1.00 1.10 C ATOM 921 O MET A 60 65.193 -2.535 6.407 1.00 1.47 O ATOM 922 CB MET A 60 63.344 -4.731 5.704 1.00 1.09 C ATOM 923 CG MET A 60 64.534 -5.629 5.361 1.00 1.42 C ATOM 924 SD MET A 60 64.301 -7.254 6.125 1.00 1.89 S ATOM 925 CE MET A 60 65.363 -6.980 7.565 1.00 1.71 C ATOM 0 H MET A 60 61.408 -4.080 7.012 1.00 1.08 H new ATOM 0 HA MET A 60 64.223 -4.727 7.705 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.419 -5.307 5.673 1.00 1.09 H new ATOM 0 HB3 MET A 60 63.250 -3.936 4.964 1.00 1.09 H new ATOM 0 HG2 MET A 60 64.626 -5.733 4.280 1.00 1.42 H new ATOM 0 HG3 MET A 60 65.460 -5.177 5.717 1.00 1.42 H new ATOM 0 HE1 MET A 60 65.921 -7.890 7.784 1.00 1.71 H new ATOM 0 HE2 MET A 60 66.060 -6.169 7.354 1.00 1.71 H new ATOM 0 HE3 MET A 60 64.748 -6.716 8.425 1.00 1.71 H new ATOM 935 N ILE A 61 63.500 -1.749 7.565 1.00 0.91 N ATOM 936 CA ILE A 61 64.040 -0.360 7.497 1.00 0.95 C ATOM 937 C ILE A 61 64.236 0.202 8.909 1.00 0.94 C ATOM 938 O ILE A 61 65.174 0.928 9.172 1.00 1.06 O ATOM 939 CB ILE A 61 62.978 0.437 6.736 1.00 1.03 C ATOM 940 CG1 ILE A 61 63.110 0.151 5.238 1.00 1.35 C ATOM 941 CG2 ILE A 61 63.176 1.934 6.986 1.00 1.55 C ATOM 942 CD1 ILE A 61 62.062 0.957 4.470 1.00 1.56 C ATOM 0 H ILE A 61 62.622 -1.849 8.074 1.00 0.91 H new ATOM 0 HA ILE A 61 65.012 -0.314 7.005 1.00 0.95 H new ATOM 0 HB ILE A 61 61.987 0.142 7.082 1.00 1.03 H new ATOM 0 HG12 ILE A 61 64.110 0.414 4.894 1.00 1.35 H new ATOM 0 HG13 ILE A 61 62.977 -0.914 5.047 1.00 1.35 H new ATOM 0 HG21 ILE A 61 62.418 2.497 6.442 1.00 1.55 H new ATOM 0 HG22 ILE A 61 63.086 2.140 8.053 1.00 1.55 H new ATOM 0 HG23 ILE A 61 64.166 2.233 6.642 1.00 1.55 H new ATOM 0 HD11 ILE A 61 62.156 0.753 3.403 1.00 1.56 H new ATOM 0 HD12 ILE A 61 61.065 0.673 4.807 1.00 1.56 H new ATOM 0 HD13 ILE A 61 62.216 2.021 4.651 1.00 1.56 H new ATOM 954 N ASP A 62 63.362 -0.129 9.818 1.00 1.09 N ATOM 955 CA ASP A 62 63.505 0.388 11.210 1.00 1.09 C ATOM 956 C ASP A 62 64.807 -0.127 11.829 1.00 1.11 C ATOM 957 O ASP A 62 65.271 0.377 12.832 1.00 1.24 O ATOM 958 CB ASP A 62 62.294 -0.165 11.964 1.00 1.22 C ATOM 959 CG ASP A 62 62.531 -0.052 13.471 1.00 1.40 C ATOM 960 OD1 ASP A 62 62.296 1.016 14.010 1.00 1.91 O ATOM 961 OD2 ASP A 62 62.945 -1.038 14.060 1.00 1.87 O ATOM 0 H ASP A 62 62.556 -0.734 9.659 1.00 1.09 H new ATOM 0 HA ASP A 62 63.543 1.477 11.247 1.00 1.09 H new ATOM 0 HB2 ASP A 62 61.396 0.387 11.685 1.00 1.22 H new ATOM 0 HB3 ASP A 62 62.127 -1.206 11.689 1.00 1.22 H new ATOM 966 N GLU A 63 65.399 -1.128 11.237 1.00 1.18 N ATOM 967 CA GLU A 63 66.670 -1.674 11.792 1.00 1.31 C ATOM 968 C GLU A 63 67.865 -0.871 11.269 1.00 1.18 C ATOM 969 O GLU A 63 68.880 -0.753 11.927 1.00 1.41 O ATOM 970 CB GLU A 63 66.735 -3.118 11.293 1.00 1.50 C ATOM 971 CG GLU A 63 66.866 -3.126 9.769 1.00 1.93 C ATOM 972 CD GLU A 63 67.017 -4.567 9.277 1.00 1.91 C ATOM 973 OE1 GLU A 63 66.143 -5.365 9.570 1.00 2.24 O ATOM 974 OE2 GLU A 63 68.004 -4.846 8.618 1.00 2.33 O ATOM 0 H GLU A 63 65.058 -1.591 10.394 1.00 1.18 H new ATOM 0 HA GLU A 63 66.701 -1.618 12.880 1.00 1.31 H new ATOM 0 HB2 GLU A 63 67.584 -3.632 11.744 1.00 1.50 H new ATOM 0 HB3 GLU A 63 65.838 -3.659 11.594 1.00 1.50 H new ATOM 0 HG2 GLU A 63 65.988 -2.666 9.316 1.00 1.93 H new ATOM 0 HG3 GLU A 63 67.729 -2.534 9.464 1.00 1.93 H new ATOM 981 N VAL A 64 67.754 -0.316 10.092 1.00 0.93 N ATOM 982 CA VAL A 64 68.887 0.479 9.536 1.00 0.92 C ATOM 983 C VAL A 64 68.523 1.966 9.504 1.00 0.95 C ATOM 984 O VAL A 64 69.360 2.813 9.262 1.00 1.37 O ATOM 985 CB VAL A 64 69.094 -0.052 8.118 1.00 0.91 C ATOM 986 CG1 VAL A 64 67.914 0.358 7.237 1.00 1.66 C ATOM 987 CG2 VAL A 64 70.384 0.535 7.542 1.00 1.51 C ATOM 0 H VAL A 64 66.931 -0.378 9.493 1.00 0.93 H new ATOM 0 HA VAL A 64 69.790 0.384 10.139 1.00 0.92 H new ATOM 0 HB VAL A 64 69.164 -1.139 8.145 1.00 0.91 H new ATOM 0 HG11 VAL A 64 68.065 -0.022 6.227 1.00 1.66 H new ATOM 0 HG12 VAL A 64 66.993 -0.056 7.647 1.00 1.66 H new ATOM 0 HG13 VAL A 64 67.842 1.445 7.208 1.00 1.66 H new ATOM 0 HG21 VAL A 64 70.535 0.158 6.530 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.310 1.622 7.517 1.00 1.51 H new ATOM 0 HG23 VAL A 64 71.228 0.243 8.168 1.00 1.51 H new ATOM 997 N ASP A 65 67.282 2.288 9.745 1.00 0.96 N ATOM 998 CA ASP A 65 66.869 3.721 9.728 1.00 1.02 C ATOM 999 C ASP A 65 67.116 4.353 11.099 1.00 1.06 C ATOM 1000 O ASP A 65 66.202 4.555 11.875 1.00 1.22 O ATOM 1001 CB ASP A 65 65.375 3.698 9.406 1.00 1.24 C ATOM 1002 CG ASP A 65 64.849 5.131 9.318 1.00 1.68 C ATOM 1003 OD1 ASP A 65 65.562 6.029 9.736 1.00 2.50 O ATOM 1004 OD2 ASP A 65 63.744 5.308 8.832 1.00 1.96 O ATOM 0 H ASP A 65 66.537 1.623 9.953 1.00 0.96 H new ATOM 0 HA ASP A 65 67.431 4.308 9.001 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.203 3.178 8.463 1.00 1.24 H new ATOM 0 HB3 ASP A 65 64.835 3.148 10.176 1.00 1.24 H new ATOM 1009 N GLU A 66 68.346 4.664 11.405 1.00 1.15 N ATOM 1010 CA GLU A 66 68.651 5.280 12.728 1.00 1.37 C ATOM 1011 C GLU A 66 68.267 6.762 12.725 1.00 1.34 C ATOM 1012 O GLU A 66 68.317 7.427 13.740 1.00 1.62 O ATOM 1013 CB GLU A 66 70.162 5.114 12.900 1.00 1.74 C ATOM 1014 CG GLU A 66 70.484 3.646 13.195 1.00 1.95 C ATOM 1015 CD GLU A 66 71.083 3.526 14.598 1.00 2.73 C ATOM 1016 OE1 GLU A 66 70.588 4.193 15.492 1.00 3.39 O ATOM 1017 OE2 GLU A 66 72.027 2.769 14.754 1.00 3.12 O ATOM 0 H GLU A 66 69.152 4.519 10.797 1.00 1.15 H new ATOM 0 HA GLU A 66 68.094 4.813 13.541 1.00 1.37 H new ATOM 0 HB2 GLU A 66 70.679 5.436 11.996 1.00 1.74 H new ATOM 0 HB3 GLU A 66 70.518 5.746 13.714 1.00 1.74 H new ATOM 0 HG2 GLU A 66 69.579 3.043 13.122 1.00 1.95 H new ATOM 0 HG3 GLU A 66 71.185 3.261 12.455 1.00 1.95 H new ATOM 1024 N ASP A 67 67.880 7.284 11.593 1.00 1.42 N ATOM 1025 CA ASP A 67 67.490 8.722 11.531 1.00 1.67 C ATOM 1026 C ASP A 67 66.147 8.931 12.235 1.00 1.70 C ATOM 1027 O ASP A 67 65.677 10.042 12.380 1.00 2.12 O ATOM 1028 CB ASP A 67 67.370 9.036 10.039 1.00 2.50 C ATOM 1029 CG ASP A 67 68.699 8.729 9.346 1.00 3.17 C ATOM 1030 OD1 ASP A 67 69.706 8.687 10.033 1.00 3.83 O ATOM 1031 OD2 ASP A 67 68.687 8.540 8.141 1.00 3.45 O ATOM 0 H ASP A 67 67.817 6.778 10.710 1.00 1.42 H new ATOM 0 HA ASP A 67 68.213 9.371 12.025 1.00 1.67 H new ATOM 0 HB2 ASP A 67 66.570 8.443 9.595 1.00 2.50 H new ATOM 0 HB3 ASP A 67 67.107 10.084 9.897 1.00 2.50 H new ATOM 1036 N GLY A 68 65.527 7.870 12.676 1.00 1.77 N ATOM 1037 CA GLY A 68 64.217 8.008 13.373 1.00 2.43 C ATOM 1038 C GLY A 68 63.227 8.737 12.463 1.00 2.01 C ATOM 1039 O GLY A 68 62.214 9.239 12.908 1.00 2.65 O ATOM 0 H GLY A 68 65.871 6.914 12.584 1.00 1.77 H new ATOM 0 HA2 GLY A 68 63.828 7.024 13.636 1.00 2.43 H new ATOM 0 HA3 GLY A 68 64.345 8.560 14.304 1.00 2.43 H new ATOM 1043 N SER A 69 63.512 8.801 11.192 1.00 1.59 N ATOM 1044 CA SER A 69 62.587 9.500 10.255 1.00 1.99 C ATOM 1045 C SER A 69 61.630 8.495 9.608 1.00 1.42 C ATOM 1046 O SER A 69 60.472 8.785 9.378 1.00 1.97 O ATOM 1047 CB SER A 69 63.495 10.129 9.200 1.00 2.89 C ATOM 1048 OG SER A 69 64.023 9.107 8.363 1.00 3.53 O ATOM 0 H SER A 69 64.345 8.400 10.761 1.00 1.59 H new ATOM 0 HA SER A 69 61.972 10.244 10.761 1.00 1.99 H new ATOM 0 HB2 SER A 69 62.934 10.849 8.604 1.00 2.89 H new ATOM 0 HB3 SER A 69 64.306 10.676 9.681 1.00 2.89 H new ATOM 0 HG SER A 69 63.901 9.358 7.424 1.00 3.53 H new ATOM 1054 N GLY A 70 62.104 7.316 9.312 1.00 1.23 N ATOM 1055 CA GLY A 70 61.221 6.295 8.681 1.00 1.51 C ATOM 1056 C GLY A 70 61.479 6.257 7.173 1.00 1.28 C ATOM 1057 O GLY A 70 61.034 5.363 6.481 1.00 1.42 O ATOM 0 H GLY A 70 63.064 7.016 9.480 1.00 1.23 H new ATOM 0 HA2 GLY A 70 61.411 5.315 9.118 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.175 6.533 8.876 1.00 1.51 H new ATOM 1061 N THR A 71 62.195 7.219 6.659 1.00 1.12 N ATOM 1062 CA THR A 71 62.480 7.232 5.196 1.00 0.98 C ATOM 1063 C THR A 71 63.890 6.702 4.925 1.00 0.88 C ATOM 1064 O THR A 71 64.830 7.024 5.626 1.00 0.92 O ATOM 1065 CB THR A 71 62.371 8.700 4.780 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.510 9.408 5.248 1.00 1.83 O ATOM 1067 CG2 THR A 71 61.105 9.311 5.381 1.00 1.34 C ATOM 0 H THR A 71 62.594 7.995 7.187 1.00 1.12 H new ATOM 0 HA THR A 71 61.790 6.599 4.638 1.00 0.98 H new ATOM 0 HB THR A 71 62.322 8.767 3.693 1.00 1.11 H new ATOM 0 HG1 THR A 71 64.160 8.774 5.618 1.00 1.83 H new ATOM 0 HG21 THR A 71 61.029 10.357 5.084 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.232 8.767 5.021 1.00 1.34 H new ATOM 0 HG23 THR A 71 61.150 9.245 6.468 1.00 1.34 H new ATOM 1075 N VAL A 72 64.045 5.893 3.913 1.00 0.83 N ATOM 1076 CA VAL A 72 65.395 5.344 3.597 1.00 0.76 C ATOM 1077 C VAL A 72 66.134 6.279 2.638 1.00 0.68 C ATOM 1078 O VAL A 72 65.753 6.441 1.497 1.00 0.72 O ATOM 1079 CB VAL A 72 65.131 3.994 2.930 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.450 3.245 2.757 1.00 0.87 C ATOM 1081 CG2 VAL A 72 64.185 3.169 3.807 1.00 1.02 C ATOM 0 H VAL A 72 63.296 5.588 3.291 1.00 0.83 H new ATOM 0 HA VAL A 72 66.017 5.243 4.487 1.00 0.76 H new ATOM 0 HB VAL A 72 64.674 4.154 1.953 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.262 2.282 2.281 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.123 3.833 2.133 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.908 3.084 3.733 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.996 2.206 3.332 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.641 3.009 4.784 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.243 3.704 3.930 1.00 1.02 H new ATOM 1091 N ASP A 73 67.189 6.897 3.093 1.00 0.72 N ATOM 1092 CA ASP A 73 67.950 7.821 2.205 1.00 0.76 C ATOM 1093 C ASP A 73 69.028 7.049 1.443 1.00 0.83 C ATOM 1094 O ASP A 73 69.109 5.839 1.517 1.00 1.49 O ATOM 1095 CB ASP A 73 68.586 8.844 3.147 1.00 0.98 C ATOM 1096 CG ASP A 73 68.706 10.190 2.431 1.00 1.30 C ATOM 1097 OD1 ASP A 73 69.056 10.188 1.262 1.00 1.89 O ATOM 1098 OD2 ASP A 73 68.447 11.200 3.063 1.00 1.99 O ATOM 0 H ASP A 73 67.557 6.802 4.040 1.00 0.72 H new ATOM 0 HA ASP A 73 67.313 8.297 1.460 1.00 0.76 H new ATOM 0 HB2 ASP A 73 67.981 8.951 4.047 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.570 8.500 3.464 1.00 0.98 H new ATOM 1103 N PHE A 74 69.857 7.739 0.709 1.00 0.67 N ATOM 1104 CA PHE A 74 70.927 7.042 -0.059 1.00 0.64 C ATOM 1105 C PHE A 74 71.938 6.408 0.901 1.00 0.73 C ATOM 1106 O PHE A 74 72.724 5.563 0.521 1.00 0.87 O ATOM 1107 CB PHE A 74 71.593 8.137 -0.894 1.00 0.79 C ATOM 1108 CG PHE A 74 72.469 7.505 -1.947 1.00 0.86 C ATOM 1109 CD1 PHE A 74 71.902 7.026 -3.133 1.00 1.33 C ATOM 1110 CD2 PHE A 74 73.849 7.395 -1.736 1.00 1.68 C ATOM 1111 CE1 PHE A 74 72.715 6.439 -4.111 1.00 1.45 C ATOM 1112 CE2 PHE A 74 74.661 6.808 -2.714 1.00 1.78 C ATOM 1113 CZ PHE A 74 74.094 6.331 -3.900 1.00 1.20 C ATOM 0 H PHE A 74 69.840 8.754 0.608 1.00 0.67 H new ATOM 0 HA PHE A 74 70.533 6.239 -0.681 1.00 0.64 H new ATOM 0 HB2 PHE A 74 70.834 8.762 -1.365 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.188 8.787 -0.253 1.00 0.79 H new ATOM 0 HD1 PHE A 74 70.837 7.109 -3.294 1.00 1.33 H new ATOM 0 HD2 PHE A 74 74.287 7.763 -0.820 1.00 1.68 H new ATOM 0 HE1 PHE A 74 72.278 6.070 -5.027 1.00 1.45 H new ATOM 0 HE2 PHE A 74 75.725 6.724 -2.552 1.00 1.78 H new ATOM 0 HZ PHE A 74 74.721 5.879 -4.654 1.00 1.20 H new ATOM 1123 N ASP A 75 71.923 6.812 2.142 1.00 0.94 N ATOM 1124 CA ASP A 75 72.882 6.233 3.126 1.00 1.11 C ATOM 1125 C ASP A 75 72.327 4.929 3.702 1.00 0.90 C ATOM 1126 O ASP A 75 73.041 3.962 3.877 1.00 0.94 O ATOM 1127 CB ASP A 75 73.008 7.291 4.223 1.00 1.45 C ATOM 1128 CG ASP A 75 74.448 7.327 4.736 1.00 2.16 C ATOM 1129 OD1 ASP A 75 75.229 6.494 4.309 1.00 2.66 O ATOM 1130 OD2 ASP A 75 74.744 8.187 5.549 1.00 2.78 O ATOM 0 H ASP A 75 71.289 7.517 2.517 1.00 0.94 H new ATOM 0 HA ASP A 75 73.845 5.996 2.674 1.00 1.11 H new ATOM 0 HB2 ASP A 75 72.725 8.269 3.834 1.00 1.45 H new ATOM 0 HB3 ASP A 75 72.325 7.064 5.042 1.00 1.45 H new ATOM 1135 N GLU A 76 71.056 4.894 4.000 1.00 0.81 N ATOM 1136 CA GLU A 76 70.456 3.651 4.566 1.00 0.76 C ATOM 1137 C GLU A 76 70.013 2.715 3.439 1.00 0.62 C ATOM 1138 O GLU A 76 70.289 1.532 3.458 1.00 0.61 O ATOM 1139 CB GLU A 76 69.248 4.129 5.373 1.00 0.93 C ATOM 1140 CG GLU A 76 69.684 5.228 6.345 1.00 1.09 C ATOM 1141 CD GLU A 76 68.448 5.933 6.908 1.00 1.59 C ATOM 1142 OE1 GLU A 76 67.622 6.360 6.118 1.00 1.93 O ATOM 1143 OE2 GLU A 76 68.348 6.033 8.119 1.00 2.25 O ATOM 0 H GLU A 76 70.408 5.672 3.876 1.00 0.81 H new ATOM 0 HA GLU A 76 71.163 3.093 5.180 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.476 4.507 4.703 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.812 3.295 5.923 1.00 0.93 H new ATOM 0 HG2 GLU A 76 70.271 4.798 7.156 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.324 5.947 5.834 1.00 1.09 H new ATOM 1150 N PHE A 77 69.326 3.238 2.461 1.00 0.59 N ATOM 1151 CA PHE A 77 68.857 2.384 1.331 1.00 0.57 C ATOM 1152 C PHE A 77 69.946 1.389 0.919 1.00 0.59 C ATOM 1153 O PHE A 77 69.675 0.236 0.648 1.00 0.71 O ATOM 1154 CB PHE A 77 68.573 3.363 0.191 1.00 0.62 C ATOM 1155 CG PHE A 77 67.877 2.638 -0.935 1.00 0.72 C ATOM 1156 CD1 PHE A 77 66.737 1.866 -0.673 1.00 1.51 C ATOM 1157 CD2 PHE A 77 68.371 2.734 -2.241 1.00 1.42 C ATOM 1158 CE1 PHE A 77 66.093 1.193 -1.717 1.00 1.76 C ATOM 1159 CE2 PHE A 77 67.726 2.061 -3.285 1.00 1.60 C ATOM 1160 CZ PHE A 77 66.588 1.290 -3.023 1.00 1.37 C ATOM 0 H PHE A 77 69.068 4.223 2.395 1.00 0.59 H new ATOM 0 HA PHE A 77 67.980 1.796 1.600 1.00 0.57 H new ATOM 0 HB2 PHE A 77 67.951 4.183 0.549 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.505 3.802 -0.166 1.00 0.62 H new ATOM 0 HD1 PHE A 77 66.356 1.791 0.335 1.00 1.51 H new ATOM 0 HD2 PHE A 77 69.250 3.328 -2.443 1.00 1.42 H new ATOM 0 HE1 PHE A 77 65.214 0.599 -1.515 1.00 1.76 H new ATOM 0 HE2 PHE A 77 68.107 2.137 -4.293 1.00 1.60 H new ATOM 0 HZ PHE A 77 66.091 0.770 -3.829 1.00 1.37 H new ATOM 1170 N LEU A 78 71.174 1.825 0.863 1.00 0.57 N ATOM 1171 CA LEU A 78 72.274 0.900 0.464 1.00 0.62 C ATOM 1172 C LEU A 78 72.584 -0.075 1.603 1.00 0.61 C ATOM 1173 O LEU A 78 73.006 -1.192 1.378 1.00 0.68 O ATOM 1174 CB LEU A 78 73.473 1.806 0.188 1.00 0.66 C ATOM 1175 CG LEU A 78 73.632 1.996 -1.322 1.00 0.73 C ATOM 1176 CD1 LEU A 78 74.831 2.904 -1.600 1.00 1.10 C ATOM 1177 CD2 LEU A 78 73.860 0.635 -1.987 1.00 1.34 C ATOM 0 H LEU A 78 71.464 2.780 1.076 1.00 0.57 H new ATOM 0 HA LEU A 78 72.013 0.297 -0.406 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.332 2.771 0.674 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.378 1.367 0.607 1.00 0.66 H new ATOM 0 HG LEU A 78 72.729 2.453 -1.726 1.00 0.73 H new ATOM 0 HD11 LEU A 78 74.944 3.039 -2.676 1.00 1.10 H new ATOM 0 HD12 LEU A 78 74.671 3.873 -1.128 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.734 2.448 -1.195 1.00 1.10 H new ATOM 0 HD21 LEU A 78 73.973 0.770 -3.063 1.00 1.34 H new ATOM 0 HD22 LEU A 78 74.763 0.179 -1.581 1.00 1.34 H new ATOM 0 HD23 LEU A 78 73.006 -0.013 -1.791 1.00 1.34 H new ATOM 1189 N VAL A 79 72.375 0.337 2.823 1.00 0.64 N ATOM 1190 CA VAL A 79 72.653 -0.571 3.973 1.00 0.68 C ATOM 1191 C VAL A 79 71.518 -1.586 4.119 1.00 0.78 C ATOM 1192 O VAL A 79 71.745 -2.771 4.265 1.00 0.92 O ATOM 1193 CB VAL A 79 72.712 0.346 5.195 1.00 0.73 C ATOM 1194 CG1 VAL A 79 72.855 -0.504 6.458 1.00 1.15 C ATOM 1195 CG2 VAL A 79 73.915 1.283 5.069 1.00 0.91 C ATOM 0 H VAL A 79 72.024 1.261 3.074 1.00 0.64 H new ATOM 0 HA VAL A 79 73.576 -1.136 3.845 1.00 0.68 H new ATOM 0 HB VAL A 79 71.798 0.936 5.255 1.00 0.73 H new ATOM 0 HG11 VAL A 79 72.897 0.147 7.332 1.00 1.15 H new ATOM 0 HG12 VAL A 79 71.999 -1.173 6.545 1.00 1.15 H new ATOM 0 HG13 VAL A 79 73.771 -1.092 6.399 1.00 1.15 H new ATOM 0 HG21 VAL A 79 73.959 1.938 5.939 1.00 0.91 H new ATOM 0 HG22 VAL A 79 74.830 0.694 5.011 1.00 0.91 H new ATOM 0 HG23 VAL A 79 73.814 1.886 4.166 1.00 0.91 H new ATOM 1205 N MET A 80 70.295 -1.131 4.077 1.00 0.82 N ATOM 1206 CA MET A 80 69.147 -2.072 4.206 1.00 0.93 C ATOM 1207 C MET A 80 69.242 -3.153 3.129 1.00 0.92 C ATOM 1208 O MET A 80 68.781 -4.263 3.304 1.00 0.99 O ATOM 1209 CB MET A 80 67.902 -1.209 3.994 1.00 1.04 C ATOM 1210 CG MET A 80 68.044 -0.416 2.695 1.00 1.05 C ATOM 1211 SD MET A 80 66.405 -0.088 2.006 1.00 1.64 S ATOM 1212 CE MET A 80 65.929 -1.812 1.736 1.00 1.27 C ATOM 0 H MET A 80 70.042 -0.150 3.959 1.00 0.82 H new ATOM 0 HA MET A 80 69.128 -2.579 5.171 1.00 0.93 H new ATOM 0 HB2 MET A 80 67.013 -1.839 3.952 1.00 1.04 H new ATOM 0 HB3 MET A 80 67.771 -0.528 4.835 1.00 1.04 H new ATOM 0 HG2 MET A 80 68.565 0.523 2.885 1.00 1.05 H new ATOM 0 HG3 MET A 80 68.646 -0.976 1.979 1.00 1.05 H new ATOM 0 HE1 MET A 80 65.280 -1.878 0.863 1.00 1.27 H new ATOM 0 HE2 MET A 80 66.822 -2.414 1.570 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.398 -2.184 2.612 1.00 1.27 H new ATOM 1222 N MET A 81 69.845 -2.835 2.016 1.00 0.86 N ATOM 1223 CA MET A 81 69.983 -3.842 0.926 1.00 0.88 C ATOM 1224 C MET A 81 71.123 -4.803 1.262 1.00 0.90 C ATOM 1225 O MET A 81 70.921 -5.988 1.438 1.00 1.04 O ATOM 1226 CB MET A 81 70.314 -3.027 -0.325 1.00 0.86 C ATOM 1227 CG MET A 81 69.021 -2.686 -1.068 1.00 0.97 C ATOM 1228 SD MET A 81 68.936 -3.646 -2.598 1.00 1.31 S ATOM 1229 CE MET A 81 69.827 -2.474 -3.649 1.00 0.93 C ATOM 0 H MET A 81 70.248 -1.920 1.814 1.00 0.86 H new ATOM 0 HA MET A 81 69.083 -4.442 0.788 1.00 0.88 H new ATOM 0 HB2 MET A 81 70.839 -2.113 -0.048 1.00 0.86 H new ATOM 0 HB3 MET A 81 70.981 -3.593 -0.975 1.00 0.86 H new ATOM 0 HG2 MET A 81 68.158 -2.906 -0.439 1.00 0.97 H new ATOM 0 HG3 MET A 81 68.988 -1.620 -1.292 1.00 0.97 H new ATOM 0 HE1 MET A 81 70.554 -3.011 -4.258 1.00 0.93 H new ATOM 0 HE2 MET A 81 69.120 -1.958 -4.299 1.00 0.93 H new ATOM 0 HE3 MET A 81 70.344 -1.746 -3.024 1.00 0.93 H new ATOM 1239 N VAL A 82 72.320 -4.297 1.361 1.00 0.81 N ATOM 1240 CA VAL A 82 73.478 -5.171 1.696 1.00 0.87 C ATOM 1241 C VAL A 82 73.142 -6.043 2.909 1.00 0.93 C ATOM 1242 O VAL A 82 73.613 -7.157 3.036 1.00 1.06 O ATOM 1243 CB VAL A 82 74.614 -4.201 2.029 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.148 -3.211 3.097 1.00 1.12 C ATOM 1245 CG2 VAL A 82 75.813 -4.981 2.563 1.00 1.38 C ATOM 0 H VAL A 82 72.547 -3.312 1.224 1.00 0.81 H new ATOM 0 HA VAL A 82 73.742 -5.846 0.882 1.00 0.87 H new ATOM 0 HB VAL A 82 74.898 -3.661 1.126 1.00 0.86 H new ATOM 0 HG11 VAL A 82 74.959 -2.521 3.332 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.291 -2.650 2.724 1.00 1.12 H new ATOM 0 HG13 VAL A 82 73.862 -3.755 3.997 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.621 -4.289 2.800 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.523 -5.522 3.464 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.152 -5.690 1.807 1.00 1.38 H new ATOM 1255 N ARG A 83 72.329 -5.545 3.800 1.00 0.92 N ATOM 1256 CA ARG A 83 71.960 -6.345 5.004 1.00 1.06 C ATOM 1257 C ARG A 83 71.289 -7.655 4.584 1.00 1.17 C ATOM 1258 O ARG A 83 71.763 -8.732 4.886 1.00 1.35 O ATOM 1259 CB ARG A 83 70.977 -5.466 5.777 1.00 1.12 C ATOM 1260 CG ARG A 83 71.748 -4.556 6.735 1.00 1.21 C ATOM 1261 CD ARG A 83 70.856 -4.202 7.928 1.00 1.42 C ATOM 1262 NE ARG A 83 71.799 -3.783 9.002 1.00 1.54 N ATOM 1263 CZ ARG A 83 71.401 -2.960 9.932 1.00 1.90 C ATOM 1264 NH1 ARG A 83 71.437 -1.672 9.724 1.00 1.93 N ATOM 1265 NH2 ARG A 83 70.967 -3.424 11.072 1.00 2.73 N ATOM 0 H ARG A 83 71.904 -4.619 3.747 1.00 0.92 H new ATOM 0 HA ARG A 83 72.830 -6.611 5.604 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.387 -4.866 5.084 1.00 1.12 H new ATOM 0 HB3 ARG A 83 70.277 -6.089 6.334 1.00 1.12 H new ATOM 0 HG2 ARG A 83 72.653 -5.056 7.079 1.00 1.21 H new ATOM 0 HG3 ARG A 83 72.061 -3.648 6.219 1.00 1.21 H new ATOM 0 HD2 ARG A 83 70.161 -3.400 7.677 1.00 1.42 H new ATOM 0 HD3 ARG A 83 70.257 -5.057 8.240 1.00 1.42 H new ATOM 0 HE ARG A 83 72.755 -4.139 9.010 1.00 1.54 H new ATOM 0 HH11 ARG A 83 71.777 -1.308 8.834 1.00 1.93 H new ATOM 0 HH12 ARG A 83 71.126 -1.029 10.452 1.00 1.93 H new ATOM 0 HH21 ARG A 83 70.939 -4.430 11.236 1.00 2.73 H new ATOM 0 HH22 ARG A 83 70.656 -2.780 11.799 1.00 2.73 H new ATOM 1279 N CYS A 84 70.188 -7.570 3.888 1.00 1.21 N ATOM 1280 CA CYS A 84 69.488 -8.810 3.447 1.00 1.46 C ATOM 1281 C CYS A 84 69.919 -9.181 2.027 1.00 1.52 C ATOM 1282 O CYS A 84 69.184 -9.805 1.286 1.00 1.97 O ATOM 1283 CB CYS A 84 68.000 -8.459 3.483 1.00 1.72 C ATOM 1284 SG CYS A 84 67.023 -9.924 3.063 1.00 2.58 S ATOM 0 H CYS A 84 69.743 -6.696 3.606 1.00 1.21 H new ATOM 0 HA CYS A 84 69.719 -9.665 4.083 1.00 1.46 H new ATOM 0 HB2 CYS A 84 67.725 -8.097 4.474 1.00 1.72 H new ATOM 0 HB3 CYS A 84 67.788 -7.654 2.779 1.00 1.72 H new ATOM 0 HG CYS A 84 67.570 -10.536 2.055 1.00 2.58 H new ATOM 1290 N MET A 85 71.106 -8.802 1.640 1.00 1.31 N ATOM 1291 CA MET A 85 71.585 -9.131 0.267 1.00 1.51 C ATOM 1292 C MET A 85 71.887 -10.629 0.157 1.00 1.66 C ATOM 1293 O MET A 85 71.393 -11.428 0.928 1.00 2.46 O ATOM 1294 CB MET A 85 72.861 -8.308 0.088 1.00 1.47 C ATOM 1295 CG MET A 85 72.572 -7.113 -0.821 1.00 1.57 C ATOM 1296 SD MET A 85 74.091 -6.623 -1.673 1.00 1.89 S ATOM 1297 CE MET A 85 73.657 -4.885 -1.928 1.00 1.57 C ATOM 0 H MET A 85 71.766 -8.278 2.215 1.00 1.31 H new ATOM 0 HA MET A 85 70.843 -8.902 -0.498 1.00 1.51 H new ATOM 0 HB2 MET A 85 73.223 -7.963 1.056 1.00 1.47 H new ATOM 0 HB3 MET A 85 73.648 -8.926 -0.345 1.00 1.47 H new ATOM 0 HG2 MET A 85 71.802 -7.373 -1.548 1.00 1.57 H new ATOM 0 HG3 MET A 85 72.187 -6.280 -0.233 1.00 1.57 H new ATOM 0 HE1 MET A 85 74.392 -4.419 -2.584 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.670 -4.820 -2.385 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.648 -4.368 -0.969 1.00 1.57 H new ATOM 1307 N LYS A 86 72.693 -11.015 -0.793 1.00 1.46 N ATOM 1308 CA LYS A 86 73.022 -12.463 -0.947 1.00 1.86 C ATOM 1309 C LYS A 86 74.493 -12.712 -0.606 1.00 2.10 C ATOM 1310 O LYS A 86 74.855 -13.756 -0.100 1.00 2.77 O ATOM 1311 CB LYS A 86 72.750 -12.778 -2.419 1.00 2.69 C ATOM 1312 CG LYS A 86 71.911 -14.053 -2.521 1.00 3.47 C ATOM 1313 CD LYS A 86 72.828 -15.276 -2.448 1.00 4.38 C ATOM 1314 CE LYS A 86 72.039 -16.474 -1.914 1.00 5.10 C ATOM 1315 NZ LYS A 86 72.219 -16.424 -0.436 1.00 5.92 N ATOM 0 H LYS A 86 73.138 -10.394 -1.468 1.00 1.46 H new ATOM 0 HA LYS A 86 72.432 -13.093 -0.281 1.00 1.86 H new ATOM 0 HB2 LYS A 86 72.225 -11.946 -2.889 1.00 2.69 H new ATOM 0 HB3 LYS A 86 73.691 -12.905 -2.955 1.00 2.69 H new ATOM 0 HG2 LYS A 86 71.180 -14.085 -1.713 1.00 3.47 H new ATOM 0 HG3 LYS A 86 71.353 -14.059 -3.457 1.00 3.47 H new ATOM 0 HD2 LYS A 86 73.229 -15.502 -3.436 1.00 4.38 H new ATOM 0 HD3 LYS A 86 73.678 -15.068 -1.798 1.00 4.38 H new ATOM 0 HE2 LYS A 86 70.986 -16.406 -2.186 1.00 5.10 H new ATOM 0 HE3 LYS A 86 72.415 -17.410 -2.326 1.00 5.10 H new ATOM 0 HZ1 LYS A 86 71.706 -17.215 0.003 1.00 5.92 H new ATOM 0 HZ2 LYS A 86 73.231 -16.497 -0.207 1.00 5.92 H new ATOM 0 HZ3 LYS A 86 71.846 -15.525 -0.071 1.00 5.92 H new ATOM 1329 N ASP A 87 75.346 -11.764 -0.880 1.00 2.49 N ATOM 1330 CA ASP A 87 76.793 -11.952 -0.569 1.00 3.49 C ATOM 1331 C ASP A 87 77.353 -13.137 -1.362 1.00 4.14 C ATOM 1332 O ASP A 87 77.597 -14.197 -0.821 1.00 4.30 O ATOM 1333 CB ASP A 87 76.840 -12.238 0.932 1.00 4.13 C ATOM 1334 CG ASP A 87 77.516 -11.072 1.654 1.00 5.17 C ATOM 1335 OD1 ASP A 87 77.097 -9.945 1.441 1.00 5.90 O ATOM 1336 OD2 ASP A 87 78.442 -11.324 2.408 1.00 5.51 O ATOM 0 H ASP A 87 75.105 -10.869 -1.305 1.00 2.49 H new ATOM 0 HA ASP A 87 77.392 -11.081 -0.836 1.00 3.49 H new ATOM 0 HB2 ASP A 87 75.830 -12.382 1.317 1.00 4.13 H new ATOM 0 HB3 ASP A 87 77.387 -13.162 1.120 1.00 4.13 H new ATOM 1341 N ASP A 88 77.557 -12.964 -2.639 1.00 4.97 N ATOM 1342 CA ASP A 88 78.100 -14.081 -3.466 1.00 5.97 C ATOM 1343 C ASP A 88 77.122 -15.259 -3.473 1.00 6.80 C ATOM 1344 O ASP A 88 76.186 -15.305 -2.700 1.00 7.43 O ATOM 1345 CB ASP A 88 79.412 -14.476 -2.789 1.00 6.65 C ATOM 1346 CG ASP A 88 80.588 -14.073 -3.681 1.00 6.90 C ATOM 1347 OD1 ASP A 88 80.660 -12.910 -4.042 1.00 7.19 O ATOM 1348 OD2 ASP A 88 81.395 -14.934 -3.989 1.00 7.08 O ATOM 0 H ASP A 88 77.372 -12.099 -3.146 1.00 4.97 H new ATOM 0 HA ASP A 88 78.251 -13.789 -4.505 1.00 5.97 H new ATOM 0 HB2 ASP A 88 79.494 -13.987 -1.818 1.00 6.65 H new ATOM 0 HB3 ASP A 88 79.431 -15.551 -2.608 1.00 6.65 H new ATOM 1353 N SER A 89 77.332 -16.211 -4.340 1.00 7.04 N ATOM 1354 CA SER A 89 76.414 -17.386 -4.396 1.00 8.10 C ATOM 1355 C SER A 89 77.214 -18.687 -4.287 1.00 8.42 C ATOM 1356 O SER A 89 77.714 -19.139 -5.303 1.00 8.45 O ATOM 1357 CB SER A 89 75.729 -17.290 -5.759 1.00 8.54 C ATOM 1358 OG SER A 89 74.325 -17.442 -5.591 1.00 8.99 O ATOM 1359 OXT SER A 89 77.313 -19.207 -3.187 1.00 8.86 O ATOM 0 H SER A 89 78.099 -16.227 -5.012 1.00 7.04 H new ATOM 0 HA SER A 89 75.694 -17.387 -3.578 1.00 8.10 H new ATOM 0 HB2 SER A 89 75.949 -16.328 -6.223 1.00 8.54 H new ATOM 0 HB3 SER A 89 76.113 -18.061 -6.427 1.00 8.54 H new ATOM 0 HG SER A 89 73.882 -17.379 -6.463 1.00 8.99 H new TER 1365 SER A 89 HETATM 1366 CA CA A 90 66.274 7.830 7.757 1.00 0.00 CA