USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 743 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 69 CYS SG : rot -72:sc= 0.369 USER MOD Set 1.2: A 105 CYS SG : rot 73:sc= 0.666 USER MOD Set 2.1: A 86 HIS : no HE2:sc= 0.104 K(o=0.0088,f=-0.85) USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= -0.0951 USER MOD Set 3.1: A 59 SER OG : rot -83:sc= 0.639 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.17) USER MOD Set 4.1: A 20 CYS SG : rot 66:sc= -0.455 USER MOD Set 4.2: A 28 CYS SG : rot 82:sc= 1.52 USER MOD Set 5.1: A 11 LYS NZ :NH3+ -166:sc= 0.853 (180deg=0) USER MOD Set 5.2: A 14 GLN : amide:sc= -0.826! K(o=0.027!,f=-2.6) USER MOD Set 6.1: A 12 CYS SG : rot 71:sc= -2.43! USER MOD Set 6.2: A 50 CYS SG : rot -73:sc= -1.18! USER MOD Single : A 1 ALA N :NH3+ -158:sc= -0.123 (180deg=-0.539) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.942 K(o=-0.94,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 2.43 (180deg=2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.11 K(o=1.1,f=-0.16) USER MOD Single : A 22 SER OG : rot 69:sc= 1.11 USER MOD Single : A 26 SER OG : rot 94:sc= -0.838 USER MOD Single : A 27 TYR OH : rot 180:sc=3.44e-05 USER MOD Single : A 33 TYR OH : rot -151:sc= 1.18 USER MOD Single : A 36 TYR OH : rot -105:sc= 0.0245 USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0.375 (180deg=0.37) USER MOD Single : A 40 ASN : amide:sc= 0.36 K(o=0.36,f=-4!) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00716 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.8) USER MOD Single : A 44 GLN : amide:sc= -0.729 K(o=-0.73,f=0) USER MOD Single : A 45 THR OG1 : rot 25:sc= 1.08 USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 1.38 (180deg=1.34) USER MOD Single : A 51 TYR OH : rot 173:sc= -4.64! USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.351) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 69:sc= -1.35! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 175:sc= 0 (180deg=-0.0617) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0777 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 54:sc= 1.32 USER MOD Single : A 80 SER OG : rot 180:sc= 0.108 USER MOD Single : A 83 SER OG : rot -20:sc= -3.07! USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 109:sc= -4.78! USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -4.31! C(o=-4.3!,f=-6.4!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -148:sc= -1.81 (180deg=-4.32!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.479 X(o=0.48,f=0) USER MOD Single : A 104 TYR OH : rot 175:sc= -0.699 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.022 11.954 -6.762 1.00 0.54 N ATOM 2 CA ALA A 1 -2.703 10.661 -6.531 1.00 0.39 C ATOM 3 C ALA A 1 -4.207 10.842 -6.519 1.00 0.35 C ATOM 4 O ALA A 1 -4.730 11.807 -5.971 1.00 0.37 O ATOM 5 CB ALA A 1 -2.236 10.043 -5.229 1.00 0.28 C ATOM 0 H1 ALA A 1 -1.066 11.781 -7.133 1.00 0.54 H new ATOM 0 H2 ALA A 1 -2.564 12.514 -7.451 1.00 0.54 H new ATOM 0 H3 ALA A 1 -1.957 12.477 -5.865 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.445 9.988 -7.349 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.746 9.092 -5.074 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.160 9.874 -5.272 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.465 10.717 -4.404 1.00 0.28 H new ATOM 13 N PRO A 2 -4.916 9.919 -7.168 1.00 0.34 N ATOM 14 CA PRO A 2 -6.374 9.931 -7.246 1.00 0.34 C ATOM 15 C PRO A 2 -7.044 9.539 -5.949 1.00 0.28 C ATOM 16 O PRO A 2 -8.130 10.021 -5.634 1.00 0.28 O ATOM 17 CB PRO A 2 -6.683 8.877 -8.295 1.00 0.39 C ATOM 18 CG PRO A 2 -5.390 8.660 -9.002 1.00 0.45 C ATOM 19 CD PRO A 2 -4.364 8.805 -7.934 1.00 0.39 C ATOM 0 HA PRO A 2 -6.740 10.932 -7.476 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.044 7.956 -7.837 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.458 9.217 -8.982 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.349 7.673 -9.463 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -5.243 9.390 -9.798 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.263 7.901 -7.333 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.377 9.031 -8.338 1.00 0.39 H new ATOM 27 N THR A 3 -6.418 8.639 -5.210 1.00 0.27 N ATOM 28 CA THR A 3 -6.995 8.171 -3.971 1.00 0.24 C ATOM 29 C THR A 3 -5.976 8.151 -2.851 1.00 0.19 C ATOM 30 O THR A 3 -4.784 8.364 -3.087 1.00 0.19 O ATOM 31 CB THR A 3 -7.601 6.777 -4.121 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.616 5.874 -4.641 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.813 6.814 -5.039 1.00 0.37 C ATOM 0 H THR A 3 -5.517 8.223 -5.448 1.00 0.27 H new ATOM 0 HA THR A 3 -7.787 8.876 -3.718 1.00 0.24 H new ATOM 0 HB THR A 3 -7.925 6.430 -3.140 1.00 0.31 H new ATOM 0 HG1 THR A 3 -7.008 4.981 -4.734 1.00 0.34 H new ATOM 0 HG21 THR A 3 -9.230 5.811 -5.132 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.566 7.482 -4.621 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.513 7.175 -6.023 1.00 0.37 H new ATOM 41 N LEU A 4 -6.435 7.891 -1.642 1.00 0.16 N ATOM 42 CA LEU A 4 -5.569 7.966 -0.484 1.00 0.15 C ATOM 43 C LEU A 4 -4.495 6.879 -0.532 1.00 0.18 C ATOM 44 O LEU A 4 -3.340 7.108 -0.165 1.00 0.24 O ATOM 45 CB LEU A 4 -6.393 7.886 0.801 1.00 0.13 C ATOM 46 CG LEU A 4 -5.584 7.965 2.084 1.00 0.12 C ATOM 47 CD1 LEU A 4 -4.994 9.354 2.211 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.445 7.636 3.291 1.00 0.15 C ATOM 0 H LEU A 4 -7.399 7.627 -1.438 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.056 8.928 -0.495 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.123 8.695 0.798 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -6.953 6.951 0.799 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.780 7.230 2.046 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.411 9.419 3.130 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.348 9.554 1.357 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.798 10.090 2.238 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -5.842 7.700 4.197 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.270 8.346 3.354 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -6.842 6.626 3.190 1.00 0.15 H new ATOM 60 N GLN A 5 -4.870 5.709 -1.025 1.00 0.17 N ATOM 61 CA GLN A 5 -3.932 4.606 -1.173 1.00 0.22 C ATOM 62 C GLN A 5 -2.861 4.949 -2.211 1.00 0.22 C ATOM 63 O GLN A 5 -1.692 4.619 -2.031 1.00 0.25 O ATOM 64 CB GLN A 5 -4.692 3.332 -1.547 1.00 0.29 C ATOM 65 CG GLN A 5 -3.836 2.077 -1.543 1.00 0.55 C ATOM 66 CD GLN A 5 -3.072 1.867 -2.839 1.00 0.67 C ATOM 67 OE1 GLN A 5 -3.535 2.247 -3.914 1.00 1.58 O ATOM 68 NE2 GLN A 5 -1.901 1.264 -2.745 1.00 0.73 N ATOM 0 H GLN A 5 -5.820 5.498 -1.330 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.422 4.434 -0.225 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.519 3.197 -0.850 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -5.128 3.459 -2.538 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -3.128 2.131 -0.716 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -4.473 1.212 -1.360 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.553 0.964 -1.834 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -1.344 1.098 -3.583 1.00 0.73 H new ATOM 77 N GLU A 6 -3.250 5.642 -3.278 1.00 0.23 N ATOM 78 CA GLU A 6 -2.288 6.045 -4.299 1.00 0.24 C ATOM 79 C GLU A 6 -1.362 7.116 -3.737 1.00 0.23 C ATOM 80 O GLU A 6 -0.215 7.249 -4.156 1.00 0.24 O ATOM 81 CB GLU A 6 -2.989 6.579 -5.543 1.00 0.30 C ATOM 82 CG GLU A 6 -2.068 6.713 -6.745 1.00 0.34 C ATOM 83 CD GLU A 6 -2.137 5.533 -7.689 1.00 0.95 C ATOM 84 OE1 GLU A 6 -3.211 5.304 -8.276 1.00 1.11 O ATOM 85 OE2 GLU A 6 -1.132 4.804 -7.811 1.00 1.70 O ATOM 0 H GLU A 6 -4.211 5.933 -3.457 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.710 5.166 -4.585 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.814 5.915 -5.799 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.423 7.553 -5.317 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -2.325 7.621 -7.291 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -1.042 6.830 -6.396 1.00 0.34 H new ATOM 92 N ALA A 7 -1.876 7.886 -2.785 1.00 0.22 N ATOM 93 CA ALA A 7 -1.079 8.899 -2.102 1.00 0.22 C ATOM 94 C ALA A 7 -0.009 8.228 -1.268 1.00 0.19 C ATOM 95 O ALA A 7 1.070 8.777 -1.050 1.00 0.19 O ATOM 96 CB ALA A 7 -1.965 9.775 -1.232 1.00 0.24 C ATOM 0 H ALA A 7 -2.844 7.828 -2.468 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.600 9.536 -2.846 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.354 10.525 -0.730 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.710 10.271 -1.854 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.467 9.158 -0.487 1.00 0.24 H new ATOM 102 N LEU A 8 -0.318 7.027 -0.816 1.00 0.17 N ATOM 103 CA LEU A 8 0.650 6.205 -0.129 1.00 0.15 C ATOM 104 C LEU A 8 1.711 5.739 -1.106 1.00 0.15 C ATOM 105 O LEU A 8 2.900 5.881 -0.855 1.00 0.16 O ATOM 106 CB LEU A 8 -0.017 5.002 0.487 1.00 0.15 C ATOM 107 CG LEU A 8 -1.046 5.294 1.553 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.429 4.014 2.261 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.511 6.301 2.537 1.00 0.12 C ATOM 0 H LEU A 8 -1.239 6.600 -0.915 1.00 0.17 H new ATOM 0 HA LEU A 8 1.108 6.800 0.661 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.497 4.430 -0.307 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.754 4.364 0.918 1.00 0.15 H new ATOM 0 HG LEU A 8 -1.934 5.715 1.082 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -2.172 4.231 3.029 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.847 3.311 1.541 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.545 3.576 2.725 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.264 6.501 3.299 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.388 5.905 3.010 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.269 7.227 2.015 1.00 0.12 H new ATOM 121 N ASP A 9 1.250 5.192 -2.230 1.00 0.15 N ATOM 122 CA ASP A 9 2.118 4.794 -3.341 1.00 0.15 C ATOM 123 C ASP A 9 3.002 5.958 -3.769 1.00 0.15 C ATOM 124 O ASP A 9 4.083 5.777 -4.325 1.00 0.15 O ATOM 125 CB ASP A 9 1.265 4.353 -4.541 1.00 0.20 C ATOM 126 CG ASP A 9 0.605 3.003 -4.343 1.00 0.97 C ATOM 127 OD1 ASP A 9 0.558 2.523 -3.190 1.00 1.34 O ATOM 128 OD2 ASP A 9 0.128 2.418 -5.332 1.00 1.61 O ATOM 0 H ASP A 9 0.260 5.011 -2.398 1.00 0.15 H new ATOM 0 HA ASP A 9 2.744 3.967 -3.006 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.495 5.102 -4.726 1.00 0.20 H new ATOM 0 HB3 ASP A 9 1.894 4.315 -5.431 1.00 0.20 H new ATOM 133 N ARG A 10 2.530 7.155 -3.474 1.00 0.17 N ATOM 134 CA ARG A 10 3.167 8.380 -3.897 1.00 0.20 C ATOM 135 C ARG A 10 4.258 8.760 -2.908 1.00 0.19 C ATOM 136 O ARG A 10 5.278 9.337 -3.277 1.00 0.24 O ATOM 137 CB ARG A 10 2.081 9.449 -3.978 1.00 0.25 C ATOM 138 CG ARG A 10 2.411 10.651 -4.825 1.00 0.67 C ATOM 139 CD ARG A 10 1.141 11.382 -5.197 1.00 0.64 C ATOM 140 NE ARG A 10 1.340 12.358 -6.265 1.00 1.02 N ATOM 141 CZ ARG A 10 0.724 13.537 -6.314 1.00 1.80 C ATOM 142 NH1 ARG A 10 -0.047 13.932 -5.309 1.00 2.60 N ATOM 143 NH2 ARG A 10 0.885 14.326 -7.365 1.00 2.10 N ATOM 0 H ARG A 10 1.682 7.301 -2.926 1.00 0.17 H new ATOM 0 HA ARG A 10 3.643 8.268 -4.871 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.173 8.990 -4.369 1.00 0.25 H new ATOM 0 HB3 ARG A 10 1.856 9.790 -2.967 1.00 0.25 H new ATOM 0 HG2 ARG A 10 3.079 11.318 -4.280 1.00 0.67 H new ATOM 0 HG3 ARG A 10 2.938 10.338 -5.726 1.00 0.67 H new ATOM 0 HD2 ARG A 10 0.389 10.658 -5.509 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.748 11.890 -4.316 1.00 0.64 H new ATOM 0 HE ARG A 10 1.988 12.123 -7.017 1.00 1.02 H new ATOM 0 HH11 ARG A 10 -0.170 13.331 -4.494 1.00 2.60 H new ATOM 0 HH12 ARG A 10 -0.517 14.836 -5.352 1.00 2.60 H new ATOM 0 HH21 ARG A 10 1.481 14.031 -8.138 1.00 2.10 H new ATOM 0 HH22 ARG A 10 0.413 15.229 -7.402 1.00 2.10 H new ATOM 157 N LYS A 11 4.042 8.413 -1.648 1.00 0.18 N ATOM 158 CA LYS A 11 5.069 8.558 -0.642 1.00 0.21 C ATOM 159 C LYS A 11 6.073 7.423 -0.804 1.00 0.18 C ATOM 160 O LYS A 11 7.285 7.609 -0.690 1.00 0.18 O ATOM 161 CB LYS A 11 4.487 8.522 0.749 1.00 0.26 C ATOM 162 CG LYS A 11 5.483 9.017 1.782 1.00 0.42 C ATOM 163 CD LYS A 11 5.946 10.418 1.501 1.00 0.52 C ATOM 164 CE LYS A 11 4.769 11.359 1.424 1.00 0.59 C ATOM 165 NZ LYS A 11 5.177 12.760 1.154 1.00 0.99 N ATOM 0 H LYS A 11 3.162 8.029 -1.303 1.00 0.18 H new ATOM 0 HA LYS A 11 5.556 9.524 -0.775 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.588 9.138 0.784 1.00 0.26 H new ATOM 0 HB3 LYS A 11 4.185 7.503 0.992 1.00 0.26 H new ATOM 0 HG2 LYS A 11 5.027 8.979 2.771 1.00 0.42 H new ATOM 0 HG3 LYS A 11 6.344 8.349 1.802 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.630 10.745 2.284 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.501 10.443 0.563 1.00 0.52 H new ATOM 0 HE2 LYS A 11 4.091 11.024 0.639 1.00 0.59 H new ATOM 0 HE3 LYS A 11 4.215 11.320 2.362 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 4.377 13.397 1.343 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 5.975 13.014 1.770 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 5.465 12.852 0.159 1.00 0.99 H new ATOM 179 N CYS A 12 5.528 6.245 -1.085 1.00 0.16 N ATOM 180 CA CYS A 12 6.305 5.060 -1.416 1.00 0.14 C ATOM 181 C CYS A 12 7.280 5.349 -2.544 1.00 0.14 C ATOM 182 O CYS A 12 8.415 4.875 -2.537 1.00 0.14 O ATOM 183 CB CYS A 12 5.349 3.935 -1.815 1.00 0.13 C ATOM 184 SG CYS A 12 4.317 3.346 -0.456 1.00 0.15 S ATOM 0 H CYS A 12 4.521 6.086 -1.089 1.00 0.16 H new ATOM 0 HA CYS A 12 6.886 4.758 -0.544 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.706 4.285 -2.623 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.928 3.100 -2.208 1.00 0.13 H new ATOM 0 HG CYS A 12 3.438 4.255 -0.153 1.00 0.15 H new ATOM 190 N ALA A 13 6.838 6.148 -3.499 1.00 0.17 N ATOM 191 CA ALA A 13 7.661 6.493 -4.642 1.00 0.20 C ATOM 192 C ALA A 13 8.733 7.503 -4.239 1.00 0.21 C ATOM 193 O ALA A 13 9.773 7.619 -4.889 1.00 0.28 O ATOM 194 CB ALA A 13 6.791 7.042 -5.761 1.00 0.25 C ATOM 0 H ALA A 13 5.910 6.571 -3.504 1.00 0.17 H new ATOM 0 HA ALA A 13 8.162 5.595 -5.004 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.417 7.299 -6.616 1.00 0.25 H new ATOM 0 HB2 ALA A 13 6.062 6.288 -6.058 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.269 7.933 -5.412 1.00 0.25 H new ATOM 200 N GLN A 14 8.473 8.220 -3.155 1.00 0.20 N ATOM 201 CA GLN A 14 9.420 9.191 -2.628 1.00 0.23 C ATOM 202 C GLN A 14 10.567 8.503 -1.916 1.00 0.26 C ATOM 203 O GLN A 14 11.675 9.014 -1.880 1.00 0.43 O ATOM 204 CB GLN A 14 8.737 10.139 -1.663 1.00 0.24 C ATOM 205 CG GLN A 14 7.835 11.135 -2.345 1.00 0.26 C ATOM 206 CD GLN A 14 7.334 12.214 -1.402 1.00 0.32 C ATOM 207 OE1 GLN A 14 6.227 12.729 -1.556 1.00 0.87 O ATOM 208 NE2 GLN A 14 8.143 12.564 -0.412 1.00 1.07 N ATOM 0 H GLN A 14 7.607 8.146 -2.620 1.00 0.20 H new ATOM 0 HA GLN A 14 9.812 9.755 -3.475 1.00 0.23 H new ATOM 0 HB2 GLN A 14 8.153 9.560 -0.948 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.496 10.676 -1.094 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.373 11.601 -3.170 1.00 0.26 H new ATOM 0 HG3 GLN A 14 6.982 10.611 -2.776 1.00 0.26 H new ATOM 0 HE21 GLN A 14 9.054 12.116 -0.315 1.00 1.07 H new ATOM 0 HE22 GLN A 14 7.855 13.282 0.253 1.00 1.07 H new ATOM 217 N PHE A 15 10.277 7.355 -1.330 1.00 0.20 N ATOM 218 CA PHE A 15 11.277 6.590 -0.595 1.00 0.20 C ATOM 219 C PHE A 15 11.895 5.521 -1.477 1.00 0.19 C ATOM 220 O PHE A 15 13.104 5.506 -1.698 1.00 0.24 O ATOM 221 CB PHE A 15 10.652 5.899 0.609 1.00 0.21 C ATOM 222 CG PHE A 15 9.909 6.800 1.537 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.466 8.002 1.908 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.656 6.463 2.027 1.00 0.18 C ATOM 225 CE1 PHE A 15 9.802 8.851 2.748 1.00 0.42 C ATOM 226 CE2 PHE A 15 7.985 7.319 2.876 1.00 0.24 C ATOM 227 CZ PHE A 15 8.501 8.420 3.275 1.00 0.33 C ATOM 0 H PHE A 15 9.351 6.927 -1.348 1.00 0.20 H new ATOM 0 HA PHE A 15 12.042 7.294 -0.268 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.970 5.127 0.253 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.440 5.395 1.169 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.440 8.278 1.531 1.00 0.36 H new ATOM 0 HD2 PHE A 15 8.203 5.525 1.742 1.00 0.18 H new ATOM 0 HE1 PHE A 15 10.221 9.810 3.016 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.995 7.052 3.214 1.00 0.24 H new ATOM 0 HZ PHE A 15 7.981 9.031 3.998 1.00 0.33 H new ATOM 237 N GLY A 16 11.042 4.623 -1.966 1.00 0.15 N ATOM 238 CA GLY A 16 11.483 3.518 -2.785 1.00 0.15 C ATOM 239 C GLY A 16 12.374 3.969 -3.911 1.00 0.15 C ATOM 240 O GLY A 16 13.546 3.616 -3.984 1.00 0.18 O ATOM 0 H GLY A 16 10.036 4.648 -1.802 1.00 0.15 H new ATOM 0 HA2 GLY A 16 12.018 2.799 -2.165 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.615 3.002 -3.195 1.00 0.15 H new ATOM 244 N LYS A 17 11.832 4.795 -4.771 1.00 0.18 N ATOM 245 CA LYS A 17 12.541 5.213 -5.953 1.00 0.23 C ATOM 246 C LYS A 17 13.652 6.193 -5.601 1.00 0.28 C ATOM 247 O LYS A 17 14.555 6.417 -6.393 1.00 0.34 O ATOM 248 CB LYS A 17 11.564 5.816 -6.935 1.00 0.28 C ATOM 249 CG LYS A 17 10.335 4.948 -7.135 1.00 0.28 C ATOM 250 CD LYS A 17 10.602 3.790 -8.067 1.00 0.27 C ATOM 251 CE LYS A 17 10.730 4.319 -9.470 1.00 0.90 C ATOM 252 NZ LYS A 17 10.971 3.245 -10.464 1.00 1.24 N ATOM 0 H LYS A 17 10.898 5.192 -4.673 1.00 0.18 H new ATOM 0 HA LYS A 17 13.013 4.346 -6.416 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.257 6.800 -6.580 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.061 5.964 -7.894 1.00 0.28 H new ATOM 0 HG2 LYS A 17 10.000 4.566 -6.170 1.00 0.28 H new ATOM 0 HG3 LYS A 17 9.524 5.556 -7.536 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.515 3.272 -7.774 1.00 0.27 H new ATOM 0 HD3 LYS A 17 9.791 3.064 -8.009 1.00 0.27 H new ATOM 0 HE2 LYS A 17 9.820 4.858 -9.736 1.00 0.90 H new ATOM 0 HE3 LYS A 17 11.549 5.037 -9.510 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 11.252 3.668 -11.371 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 11.730 2.621 -10.123 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 10.100 2.692 -10.595 1.00 1.24 H new ATOM 266 N GLU A 18 13.585 6.771 -4.410 1.00 0.27 N ATOM 267 CA GLU A 18 14.707 7.545 -3.886 1.00 0.34 C ATOM 268 C GLU A 18 15.893 6.622 -3.647 1.00 0.35 C ATOM 269 O GLU A 18 17.030 6.951 -3.986 1.00 0.43 O ATOM 270 CB GLU A 18 14.333 8.257 -2.593 1.00 0.36 C ATOM 271 CG GLU A 18 15.522 8.874 -1.873 1.00 0.53 C ATOM 272 CD GLU A 18 15.161 9.445 -0.519 1.00 1.01 C ATOM 273 OE1 GLU A 18 14.697 10.603 -0.459 1.00 1.47 O ATOM 274 OE2 GLU A 18 15.348 8.738 0.493 1.00 1.55 O ATOM 0 H GLU A 18 12.775 6.721 -3.792 1.00 0.27 H new ATOM 0 HA GLU A 18 14.973 8.305 -4.621 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.607 9.039 -2.815 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.843 7.548 -1.926 1.00 0.36 H new ATOM 0 HG2 GLU A 18 16.296 8.117 -1.747 1.00 0.53 H new ATOM 0 HG3 GLU A 18 15.946 9.664 -2.493 1.00 0.53 H new ATOM 281 N SER A 19 15.616 5.463 -3.065 1.00 0.30 N ATOM 282 CA SER A 19 16.614 4.418 -2.941 1.00 0.32 C ATOM 283 C SER A 19 17.121 4.050 -4.325 1.00 0.33 C ATOM 284 O SER A 19 18.324 3.919 -4.547 1.00 0.40 O ATOM 285 CB SER A 19 16.019 3.198 -2.250 1.00 0.29 C ATOM 286 OG SER A 19 15.399 3.554 -1.025 1.00 0.30 O ATOM 0 H SER A 19 14.705 5.226 -2.672 1.00 0.30 H new ATOM 0 HA SER A 19 17.445 4.778 -2.335 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.288 2.725 -2.906 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.803 2.464 -2.064 1.00 0.29 H new ATOM 0 HG SER A 19 15.024 2.753 -0.603 1.00 0.30 H new ATOM 292 N CYS A 20 16.187 3.930 -5.257 1.00 0.30 N ATOM 293 CA CYS A 20 16.506 3.664 -6.650 1.00 0.33 C ATOM 294 C CYS A 20 17.423 4.755 -7.216 1.00 0.39 C ATOM 295 O CYS A 20 18.376 4.466 -7.939 1.00 0.43 O ATOM 296 CB CYS A 20 15.207 3.555 -7.453 1.00 0.32 C ATOM 297 SG CYS A 20 15.250 4.335 -9.080 1.00 1.08 S ATOM 0 H CYS A 20 15.188 4.014 -5.068 1.00 0.30 H new ATOM 0 HA CYS A 20 17.045 2.720 -6.724 1.00 0.33 H new ATOM 0 HB2 CYS A 20 14.962 2.500 -7.578 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.400 4.003 -6.873 1.00 0.32 H new ATOM 0 HG CYS A 20 16.087 3.698 -9.844 1.00 1.08 H new ATOM 303 N ASN A 21 17.144 6.006 -6.862 1.00 0.44 N ATOM 304 CA ASN A 21 17.987 7.130 -7.266 1.00 0.52 C ATOM 305 C ASN A 21 19.363 7.039 -6.616 1.00 0.58 C ATOM 306 O ASN A 21 20.373 7.408 -7.215 1.00 0.69 O ATOM 307 CB ASN A 21 17.336 8.469 -6.902 1.00 0.55 C ATOM 308 CG ASN A 21 16.346 8.961 -7.945 1.00 0.56 C ATOM 309 OD1 ASN A 21 16.724 9.625 -8.907 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.071 8.658 -7.756 1.00 0.58 N ATOM 0 H ASN A 21 16.338 6.269 -6.294 1.00 0.44 H new ATOM 0 HA ASN A 21 18.101 7.078 -8.349 1.00 0.52 H new ATOM 0 HB2 ASN A 21 16.824 8.368 -5.945 1.00 0.55 H new ATOM 0 HB3 ASN A 21 18.115 9.219 -6.769 1.00 0.55 H new ATOM 0 HD21 ASN A 21 14.367 8.978 -8.421 1.00 0.58 H new ATOM 0 HD22 ASN A 21 14.793 8.104 -6.946 1.00 0.58 H new ATOM 317 N SER A 22 19.396 6.531 -5.392 1.00 0.55 N ATOM 318 CA SER A 22 20.635 6.416 -4.638 1.00 0.63 C ATOM 319 C SER A 22 21.486 5.248 -5.139 1.00 0.63 C ATOM 320 O SER A 22 22.698 5.217 -4.924 1.00 0.76 O ATOM 321 CB SER A 22 20.318 6.249 -3.155 1.00 0.67 C ATOM 322 OG SER A 22 19.482 7.303 -2.699 1.00 1.28 O ATOM 0 H SER A 22 18.572 6.190 -4.898 1.00 0.55 H new ATOM 0 HA SER A 22 21.213 7.329 -4.783 1.00 0.63 H new ATOM 0 HB2 SER A 22 19.827 5.290 -2.989 1.00 0.67 H new ATOM 0 HB3 SER A 22 21.243 6.237 -2.579 1.00 0.67 H new ATOM 0 HG SER A 22 18.592 7.211 -3.099 1.00 1.28 H new ATOM 328 N GLY A 23 20.849 4.286 -5.796 1.00 0.52 N ATOM 329 CA GLY A 23 21.586 3.176 -6.373 1.00 0.57 C ATOM 330 C GLY A 23 20.961 1.831 -6.070 1.00 0.50 C ATOM 331 O GLY A 23 21.595 0.794 -6.250 1.00 0.57 O ATOM 0 H GLY A 23 19.840 4.254 -5.940 1.00 0.52 H new ATOM 0 HA2 GLY A 23 21.645 3.308 -7.453 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.608 3.189 -5.994 1.00 0.57 H new ATOM 335 N LEU A 24 19.727 1.842 -5.591 1.00 0.41 N ATOM 336 CA LEU A 24 19.008 0.605 -5.328 1.00 0.35 C ATOM 337 C LEU A 24 18.411 0.054 -6.603 1.00 0.37 C ATOM 338 O LEU A 24 17.424 0.575 -7.122 1.00 0.53 O ATOM 339 CB LEU A 24 17.923 0.824 -4.278 1.00 0.30 C ATOM 340 CG LEU A 24 18.242 0.250 -2.901 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.929 -1.231 -2.847 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.701 0.482 -2.561 1.00 0.48 C ATOM 0 H LEU A 24 19.204 2.691 -5.377 1.00 0.41 H new ATOM 0 HA LEU A 24 19.718 -0.125 -4.938 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.745 1.895 -4.178 1.00 0.30 H new ATOM 0 HB3 LEU A 24 16.995 0.378 -4.636 1.00 0.30 H new ATOM 0 HG LEU A 24 17.618 0.762 -2.168 1.00 0.38 H new ATOM 0 HD11 LEU A 24 18.165 -1.617 -1.855 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.870 -1.387 -3.055 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.526 -1.756 -3.592 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.915 0.068 -1.576 1.00 0.48 H new ATOM 0 HD22 LEU A 24 20.330 -0.007 -3.305 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.908 1.552 -2.557 1.00 0.48 H new ATOM 354 N ALA A 25 19.013 -1.018 -7.081 1.00 0.32 N ATOM 355 CA ALA A 25 18.635 -1.624 -8.351 1.00 0.33 C ATOM 356 C ALA A 25 17.231 -2.206 -8.310 1.00 0.31 C ATOM 357 O ALA A 25 16.633 -2.475 -9.351 1.00 0.41 O ATOM 358 CB ALA A 25 19.634 -2.696 -8.733 1.00 0.37 C ATOM 0 H ALA A 25 19.777 -1.496 -6.603 1.00 0.32 H new ATOM 0 HA ALA A 25 18.640 -0.837 -9.105 1.00 0.33 H new ATOM 0 HB1 ALA A 25 19.343 -3.143 -9.684 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.625 -2.252 -8.829 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.655 -3.466 -7.961 1.00 0.37 H new ATOM 364 N SER A 26 16.707 -2.394 -7.112 1.00 0.25 N ATOM 365 CA SER A 26 15.375 -2.935 -6.945 1.00 0.22 C ATOM 366 C SER A 26 14.308 -1.953 -7.427 1.00 0.19 C ATOM 367 O SER A 26 13.569 -2.245 -8.366 1.00 0.22 O ATOM 368 CB SER A 26 15.151 -3.303 -5.489 1.00 0.24 C ATOM 369 OG SER A 26 15.503 -2.230 -4.631 1.00 1.04 O ATOM 0 H SER A 26 17.188 -2.178 -6.239 1.00 0.25 H new ATOM 0 HA SER A 26 15.289 -3.833 -7.557 1.00 0.22 H new ATOM 0 HB2 SER A 26 14.105 -3.568 -5.335 1.00 0.24 H new ATOM 0 HB3 SER A 26 15.743 -4.183 -5.238 1.00 0.24 H new ATOM 0 HG SER A 26 14.708 -1.691 -4.438 1.00 1.04 H new ATOM 375 N TYR A 27 14.234 -0.782 -6.791 1.00 0.16 N ATOM 376 CA TYR A 27 13.205 0.202 -7.123 1.00 0.16 C ATOM 377 C TYR A 27 13.462 0.824 -8.492 1.00 0.21 C ATOM 378 O TYR A 27 12.584 1.484 -9.058 1.00 0.26 O ATOM 379 CB TYR A 27 13.120 1.292 -6.047 1.00 0.15 C ATOM 380 CG TYR A 27 13.261 0.757 -4.636 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.201 0.107 -4.014 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.456 0.879 -3.932 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.321 -0.401 -2.734 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.584 0.363 -2.653 1.00 0.22 C ATOM 385 CZ TYR A 27 13.515 -0.274 -2.060 1.00 0.21 C ATOM 386 OH TYR A 27 13.641 -0.794 -0.791 1.00 0.27 O ATOM 0 H TYR A 27 14.871 -0.494 -6.048 1.00 0.16 H new ATOM 0 HA TYR A 27 12.248 -0.319 -7.159 1.00 0.16 H new ATOM 0 HB2 TYR A 27 13.900 2.031 -6.227 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.164 1.808 -6.138 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.265 -0.003 -4.541 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.295 1.383 -4.389 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.483 -0.895 -2.265 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.519 0.460 -2.122 1.00 0.22 H new ATOM 0 HH TYR A 27 14.545 -0.621 -0.455 1.00 0.27 H new ATOM 396 N CYS A 28 14.659 0.614 -9.028 1.00 0.25 N ATOM 397 CA CYS A 28 14.996 1.095 -10.342 1.00 0.31 C ATOM 398 C CYS A 28 14.141 0.408 -11.402 1.00 0.41 C ATOM 399 O CYS A 28 14.189 -0.812 -11.554 1.00 0.48 O ATOM 400 CB CYS A 28 16.473 0.841 -10.602 1.00 0.35 C ATOM 401 SG CYS A 28 17.577 2.053 -9.844 1.00 0.81 S ATOM 0 H CYS A 28 15.411 0.108 -8.560 1.00 0.25 H new ATOM 0 HA CYS A 28 14.798 2.165 -10.395 1.00 0.31 H new ATOM 0 HB2 CYS A 28 16.731 -0.151 -10.230 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.645 0.833 -11.678 1.00 0.35 H new ATOM 0 HG CYS A 28 17.767 1.746 -8.595 1.00 0.81 H new ATOM 407 N GLY A 29 13.341 1.190 -12.117 1.00 0.50 N ATOM 408 CA GLY A 29 12.466 0.629 -13.127 1.00 0.65 C ATOM 409 C GLY A 29 11.312 -0.157 -12.530 1.00 0.57 C ATOM 410 O GLY A 29 10.615 -0.884 -13.240 1.00 0.74 O ATOM 0 H GLY A 29 13.283 2.203 -12.015 1.00 0.50 H new ATOM 0 HA2 GLY A 29 12.070 1.434 -13.747 1.00 0.65 H new ATOM 0 HA3 GLY A 29 13.044 -0.023 -13.782 1.00 0.65 H new ATOM 414 N ALA A 30 11.119 -0.018 -11.224 1.00 0.43 N ATOM 415 CA ALA A 30 10.050 -0.715 -10.531 1.00 0.35 C ATOM 416 C ALA A 30 8.906 0.228 -10.179 1.00 0.30 C ATOM 417 O ALA A 30 9.069 1.446 -10.165 1.00 0.41 O ATOM 418 CB ALA A 30 10.584 -1.368 -9.272 1.00 0.33 C ATOM 0 H ALA A 30 11.693 0.574 -10.624 1.00 0.43 H new ATOM 0 HA ALA A 30 9.662 -1.482 -11.202 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.774 -1.888 -8.760 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.364 -2.082 -9.535 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.998 -0.604 -8.614 1.00 0.33 H new ATOM 424 N ALA A 31 7.760 -0.357 -9.890 1.00 0.24 N ATOM 425 CA ALA A 31 6.579 0.377 -9.473 1.00 0.19 C ATOM 426 C ALA A 31 6.359 0.149 -7.996 1.00 0.18 C ATOM 427 O ALA A 31 6.066 -0.962 -7.599 1.00 0.30 O ATOM 428 CB ALA A 31 5.383 -0.113 -10.257 1.00 0.19 C ATOM 0 H ALA A 31 7.620 -1.366 -9.938 1.00 0.24 H new ATOM 0 HA ALA A 31 6.713 1.442 -9.660 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.494 0.436 -9.946 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.555 0.048 -11.321 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.236 -1.177 -10.070 1.00 0.19 H new ATOM 434 N ILE A 32 6.499 1.164 -7.169 1.00 0.14 N ATOM 435 CA ILE A 32 6.408 0.931 -5.741 1.00 0.13 C ATOM 436 C ILE A 32 5.037 1.312 -5.207 1.00 0.13 C ATOM 437 O ILE A 32 4.484 2.362 -5.535 1.00 0.21 O ATOM 438 CB ILE A 32 7.520 1.646 -4.945 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.491 1.183 -3.494 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.359 3.144 -5.028 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.852 1.135 -2.851 1.00 0.15 C ATOM 0 H ILE A 32 6.671 2.130 -7.447 1.00 0.14 H new ATOM 0 HA ILE A 32 6.553 -0.140 -5.597 1.00 0.13 H new ATOM 0 HB ILE A 32 8.486 1.389 -5.380 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.850 1.853 -2.920 1.00 0.13 H new ATOM 0 HG13 ILE A 32 7.040 0.192 -3.446 1.00 0.13 H new ATOM 0 HG21 ILE A 32 8.154 3.627 -4.460 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.415 3.459 -6.070 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.392 3.429 -4.614 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.755 0.797 -1.819 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.490 0.443 -3.401 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.297 2.130 -2.867 1.00 0.15 H new ATOM 453 N TYR A 33 4.493 0.425 -4.400 1.00 0.10 N ATOM 454 CA TYR A 33 3.151 0.572 -3.887 1.00 0.10 C ATOM 455 C TYR A 33 3.148 0.476 -2.373 1.00 0.09 C ATOM 456 O TYR A 33 4.048 -0.118 -1.774 1.00 0.09 O ATOM 457 CB TYR A 33 2.254 -0.525 -4.456 1.00 0.10 C ATOM 458 CG TYR A 33 2.278 -0.623 -5.962 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.499 0.219 -6.738 1.00 0.16 C ATOM 460 CD2 TYR A 33 3.079 -1.552 -6.605 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.521 0.140 -8.112 1.00 0.19 C ATOM 462 CE2 TYR A 33 3.105 -1.639 -7.984 1.00 0.16 C ATOM 463 CZ TYR A 33 2.317 -0.816 -8.731 1.00 0.19 C ATOM 464 OH TYR A 33 2.349 -0.864 -10.107 1.00 0.24 O ATOM 0 H TYR A 33 4.971 -0.418 -4.082 1.00 0.10 H new ATOM 0 HA TYR A 33 2.775 1.550 -4.186 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.559 -1.483 -4.036 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.229 -0.346 -4.131 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.864 0.949 -6.258 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.693 -2.219 -6.019 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.924 0.817 -8.705 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.749 -2.358 -8.469 1.00 0.16 H new ATOM 0 HH TYR A 33 2.532 -1.782 -10.398 1.00 0.24 H new ATOM 474 N ALA A 34 2.137 1.057 -1.765 1.00 0.11 N ATOM 475 CA ALA A 34 1.944 0.959 -0.338 1.00 0.11 C ATOM 476 C ALA A 34 1.146 -0.269 -0.007 1.00 0.10 C ATOM 477 O ALA A 34 0.010 -0.418 -0.461 1.00 0.14 O ATOM 478 CB ALA A 34 1.215 2.166 0.189 1.00 0.12 C ATOM 0 H ALA A 34 1.428 1.609 -2.247 1.00 0.11 H new ATOM 0 HA ALA A 34 2.928 0.901 0.128 1.00 0.11 H new ATOM 0 HB1 ALA A 34 1.082 2.069 1.266 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.795 3.064 -0.025 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.240 2.241 -0.292 1.00 0.12 H new ATOM 484 N ARG A 35 1.724 -1.152 0.767 1.00 0.09 N ATOM 485 CA ARG A 35 1.003 -2.318 1.187 1.00 0.09 C ATOM 486 C ARG A 35 1.239 -2.573 2.665 1.00 0.08 C ATOM 487 O ARG A 35 2.371 -2.714 3.118 1.00 0.08 O ATOM 488 CB ARG A 35 1.389 -3.535 0.331 1.00 0.10 C ATOM 489 CG ARG A 35 0.207 -4.421 -0.010 1.00 0.12 C ATOM 490 CD ARG A 35 -0.862 -3.653 -0.780 1.00 0.16 C ATOM 491 NE ARG A 35 -0.355 -3.106 -2.045 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.128 -2.664 -3.042 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.444 -2.792 -2.980 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.579 -2.107 -4.113 1.00 0.40 N ATOM 0 H ARG A 35 2.681 -1.085 1.114 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.064 -2.146 1.042 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.855 -3.190 -0.592 1.00 0.10 H new ATOM 0 HB3 ARG A 35 2.135 -4.124 0.864 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.546 -5.270 -0.604 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.223 -4.825 0.907 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.704 -4.314 -0.985 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.239 -2.839 -0.160 1.00 0.16 H new ATOM 0 HE ARG A 35 0.656 -3.060 -2.172 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -2.876 -3.231 -2.167 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -3.026 -2.452 -3.745 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.435 -2.015 -4.177 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.171 -1.770 -4.873 1.00 0.40 H new ATOM 508 N TYR A 36 0.158 -2.560 3.415 1.00 0.10 N ATOM 509 CA TYR A 36 0.176 -2.937 4.808 1.00 0.11 C ATOM 510 C TYR A 36 0.304 -4.449 4.870 1.00 0.14 C ATOM 511 O TYR A 36 -0.698 -5.157 4.873 1.00 0.19 O ATOM 512 CB TYR A 36 -1.122 -2.485 5.480 1.00 0.14 C ATOM 513 CG TYR A 36 -1.085 -2.565 6.978 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.485 -1.564 7.709 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.635 -3.640 7.656 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.423 -1.616 9.079 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.584 -3.708 9.030 1.00 0.21 C ATOM 518 CZ TYR A 36 -0.974 -2.691 9.743 1.00 0.18 C ATOM 519 OH TYR A 36 -0.916 -2.750 11.115 1.00 0.20 O ATOM 0 H TYR A 36 -0.762 -2.286 3.071 1.00 0.10 H new ATOM 0 HA TYR A 36 1.010 -2.466 5.329 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.335 -1.458 5.185 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -1.944 -3.099 5.112 1.00 0.14 H new ATOM 0 HD1 TYR A 36 -0.054 -0.719 7.193 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.110 -4.435 7.100 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.054 -0.821 9.633 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -2.018 -4.550 9.549 1.00 0.21 H new ATOM 0 HH TYR A 36 -0.237 -3.403 11.386 1.00 0.20 H new ATOM 529 N ASP A 37 1.534 -4.934 4.866 1.00 0.13 N ATOM 530 CA ASP A 37 1.802 -6.363 4.775 1.00 0.17 C ATOM 531 C ASP A 37 3.140 -6.677 5.424 1.00 0.17 C ATOM 532 O ASP A 37 3.711 -5.828 6.113 1.00 0.16 O ATOM 533 CB ASP A 37 1.810 -6.825 3.311 1.00 0.19 C ATOM 534 CG ASP A 37 1.071 -8.135 3.127 1.00 0.47 C ATOM 535 OD1 ASP A 37 1.583 -9.181 3.584 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.007 -8.132 2.503 1.00 0.63 O ATOM 0 H ASP A 37 2.371 -4.355 4.925 1.00 0.13 H new ATOM 0 HA ASP A 37 1.010 -6.898 5.299 1.00 0.17 H new ATOM 0 HB2 ASP A 37 1.351 -6.059 2.686 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.840 -6.938 2.972 1.00 0.19 H new ATOM 541 N LYS A 38 3.635 -7.883 5.213 1.00 0.24 N ATOM 542 CA LYS A 38 4.933 -8.275 5.744 1.00 0.27 C ATOM 543 C LYS A 38 6.042 -7.797 4.818 1.00 0.26 C ATOM 544 O LYS A 38 5.802 -7.518 3.648 1.00 0.24 O ATOM 545 CB LYS A 38 5.028 -9.790 5.851 1.00 0.35 C ATOM 546 CG LYS A 38 3.880 -10.449 6.598 1.00 0.73 C ATOM 547 CD LYS A 38 3.841 -11.947 6.339 1.00 1.05 C ATOM 548 CE LYS A 38 4.104 -12.253 4.873 1.00 0.94 C ATOM 549 NZ LYS A 38 3.815 -13.668 4.521 1.00 1.74 N ATOM 0 H LYS A 38 3.160 -8.610 4.678 1.00 0.24 H new ATOM 0 HA LYS A 38 5.042 -7.825 6.731 1.00 0.27 H new ATOM 0 HB2 LYS A 38 5.077 -10.209 4.846 1.00 0.35 H new ATOM 0 HB3 LYS A 38 5.963 -10.047 6.349 1.00 0.35 H new ATOM 0 HG2 LYS A 38 3.986 -10.265 7.667 1.00 0.73 H new ATOM 0 HG3 LYS A 38 2.936 -9.999 6.289 1.00 0.73 H new ATOM 0 HD2 LYS A 38 4.586 -12.446 6.958 1.00 1.05 H new ATOM 0 HD3 LYS A 38 2.868 -12.345 6.628 1.00 1.05 H new ATOM 0 HE2 LYS A 38 3.492 -11.597 4.254 1.00 0.94 H new ATOM 0 HE3 LYS A 38 5.146 -12.031 4.641 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 3.946 -13.805 3.498 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 4.463 -14.294 5.040 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 2.833 -13.896 4.778 1.00 1.74 H new ATOM 563 N GLY A 39 7.252 -7.707 5.341 1.00 0.34 N ATOM 564 CA GLY A 39 8.399 -7.393 4.511 1.00 0.39 C ATOM 565 C GLY A 39 9.105 -8.656 4.057 1.00 0.38 C ATOM 566 O GLY A 39 8.511 -9.502 3.393 1.00 0.40 O ATOM 0 H GLY A 39 7.464 -7.846 6.329 1.00 0.34 H new ATOM 0 HA2 GLY A 39 8.077 -6.820 3.642 1.00 0.39 H new ATOM 0 HA3 GLY A 39 9.094 -6.764 5.068 1.00 0.39 H new ATOM 570 N ASN A 40 10.379 -8.783 4.402 1.00 0.42 N ATOM 571 CA ASN A 40 11.110 -10.018 4.147 1.00 0.46 C ATOM 572 C ASN A 40 10.701 -11.052 5.211 1.00 0.45 C ATOM 573 O ASN A 40 9.773 -10.802 5.982 1.00 0.42 O ATOM 574 CB ASN A 40 12.626 -9.758 4.158 1.00 0.56 C ATOM 575 CG ASN A 40 13.417 -10.839 3.442 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.808 -11.841 4.038 1.00 0.89 O ATOM 577 ND2 ASN A 40 13.659 -10.640 2.156 1.00 1.69 N ATOM 0 H ASN A 40 10.926 -8.051 4.856 1.00 0.42 H new ATOM 0 HA ASN A 40 10.863 -10.407 3.159 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.828 -8.796 3.688 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.970 -9.687 5.190 1.00 0.56 H new ATOM 0 HD21 ASN A 40 14.187 -11.331 1.623 1.00 1.69 H new ATOM 0 HD22 ASN A 40 13.317 -9.795 1.698 1.00 1.69 H new ATOM 584 N SER A 41 11.375 -12.195 5.261 1.00 0.57 N ATOM 585 CA SER A 41 10.986 -13.284 6.160 1.00 0.65 C ATOM 586 C SER A 41 10.907 -12.830 7.621 1.00 0.63 C ATOM 587 O SER A 41 9.909 -13.069 8.302 1.00 0.75 O ATOM 588 CB SER A 41 11.976 -14.441 6.023 1.00 0.94 C ATOM 589 OG SER A 41 12.077 -14.859 4.673 1.00 1.58 O ATOM 0 H SER A 41 12.196 -12.395 4.690 1.00 0.57 H new ATOM 0 HA SER A 41 9.988 -13.612 5.870 1.00 0.65 H new ATOM 0 HB2 SER A 41 12.956 -14.132 6.387 1.00 0.94 H new ATOM 0 HB3 SER A 41 11.654 -15.277 6.644 1.00 0.94 H new ATOM 0 HG SER A 41 12.716 -15.599 4.607 1.00 1.58 H new ATOM 595 N SER A 42 11.946 -12.156 8.091 1.00 0.70 N ATOM 596 CA SER A 42 12.005 -11.709 9.478 1.00 0.85 C ATOM 597 C SER A 42 11.146 -10.460 9.694 1.00 0.84 C ATOM 598 O SER A 42 10.917 -10.035 10.826 1.00 1.07 O ATOM 599 CB SER A 42 13.457 -11.419 9.855 1.00 1.03 C ATOM 600 OG SER A 42 14.305 -12.491 9.476 1.00 1.61 O ATOM 0 H SER A 42 12.762 -11.905 7.533 1.00 0.70 H new ATOM 0 HA SER A 42 11.610 -12.500 10.115 1.00 0.85 H new ATOM 0 HB2 SER A 42 13.786 -10.501 9.368 1.00 1.03 H new ATOM 0 HB3 SER A 42 13.531 -11.254 10.930 1.00 1.03 H new ATOM 0 HG SER A 42 15.229 -12.281 9.726 1.00 1.61 H new ATOM 606 N GLN A 43 10.654 -9.899 8.598 1.00 0.71 N ATOM 607 CA GLN A 43 9.931 -8.632 8.625 1.00 0.85 C ATOM 608 C GLN A 43 8.420 -8.841 8.532 1.00 0.89 C ATOM 609 O GLN A 43 7.719 -7.990 7.991 1.00 1.47 O ATOM 610 CB GLN A 43 10.382 -7.716 7.483 1.00 0.90 C ATOM 611 CG GLN A 43 11.668 -6.939 7.736 1.00 1.37 C ATOM 612 CD GLN A 43 12.890 -7.821 7.891 1.00 1.82 C ATOM 613 OE1 GLN A 43 13.508 -8.215 6.902 1.00 2.47 O ATOM 614 NE2 GLN A 43 13.274 -8.098 9.127 1.00 2.27 N ATOM 0 H GLN A 43 10.744 -10.307 7.667 1.00 0.71 H new ATOM 0 HA GLN A 43 10.161 -8.160 9.580 1.00 0.85 H new ATOM 0 HB2 GLN A 43 10.514 -8.321 6.586 1.00 0.90 H new ATOM 0 HB3 GLN A 43 9.583 -7.005 7.274 1.00 0.90 H new ATOM 0 HG2 GLN A 43 11.833 -6.247 6.910 1.00 1.37 H new ATOM 0 HG3 GLN A 43 11.548 -6.338 8.637 1.00 1.37 H new ATOM 0 HE21 GLN A 43 12.733 -7.752 9.919 1.00 2.27 H new ATOM 0 HE22 GLN A 43 14.111 -8.658 9.288 1.00 2.27 H new ATOM 623 N GLN A 44 7.932 -9.987 9.002 1.00 0.61 N ATOM 624 CA GLN A 44 6.489 -10.282 9.000 1.00 0.58 C ATOM 625 C GLN A 44 5.700 -9.264 9.856 1.00 0.65 C ATOM 626 O GLN A 44 6.207 -8.188 10.154 1.00 1.34 O ATOM 627 CB GLN A 44 6.251 -11.703 9.503 1.00 0.63 C ATOM 628 CG GLN A 44 6.739 -11.942 10.913 1.00 1.03 C ATOM 629 CD GLN A 44 6.670 -13.399 11.328 1.00 1.58 C ATOM 630 OE1 GLN A 44 7.485 -13.869 12.122 1.00 2.07 O ATOM 631 NE2 GLN A 44 5.691 -14.121 10.806 1.00 2.18 N ATOM 0 H GLN A 44 8.510 -10.732 9.391 1.00 0.61 H new ATOM 0 HA GLN A 44 6.126 -10.198 7.976 1.00 0.58 H new ATOM 0 HB2 GLN A 44 5.184 -11.921 9.456 1.00 0.63 H new ATOM 0 HB3 GLN A 44 6.749 -12.404 8.833 1.00 0.63 H new ATOM 0 HG2 GLN A 44 7.769 -11.595 10.998 1.00 1.03 H new ATOM 0 HG3 GLN A 44 6.143 -11.345 11.603 1.00 1.03 H new ATOM 0 HE21 GLN A 44 5.036 -13.694 10.151 1.00 2.18 H new ATOM 0 HE22 GLN A 44 5.592 -15.104 11.059 1.00 2.18 H new ATOM 640 N THR A 45 4.472 -9.630 10.261 1.00 0.27 N ATOM 641 CA THR A 45 3.531 -8.727 10.944 1.00 0.30 C ATOM 642 C THR A 45 3.255 -7.477 10.117 1.00 0.25 C ATOM 643 O THR A 45 4.075 -6.560 10.054 1.00 0.35 O ATOM 644 CB THR A 45 3.959 -8.338 12.387 1.00 0.47 C ATOM 645 OG1 THR A 45 5.319 -7.895 12.445 1.00 0.57 O ATOM 646 CG2 THR A 45 3.766 -9.507 13.337 1.00 0.59 C ATOM 0 H THR A 45 4.102 -10.570 10.122 1.00 0.27 H new ATOM 0 HA THR A 45 2.610 -9.301 11.042 1.00 0.30 H new ATOM 0 HB THR A 45 3.320 -7.509 12.693 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.588 -7.548 11.569 1.00 0.57 H new ATOM 0 HG21 THR A 45 4.071 -9.214 14.341 1.00 0.59 H new ATOM 0 HG22 THR A 45 2.716 -9.798 13.347 1.00 0.59 H new ATOM 0 HG23 THR A 45 4.372 -10.350 13.005 1.00 0.59 H new ATOM 654 N LYS A 46 2.087 -7.455 9.482 1.00 0.21 N ATOM 655 CA LYS A 46 1.741 -6.389 8.557 1.00 0.18 C ATOM 656 C LYS A 46 1.841 -5.019 9.202 1.00 0.17 C ATOM 657 O LYS A 46 1.259 -4.760 10.257 1.00 0.21 O ATOM 658 CB LYS A 46 0.334 -6.547 7.992 1.00 0.20 C ATOM 659 CG LYS A 46 0.072 -7.876 7.312 1.00 0.23 C ATOM 660 CD LYS A 46 -0.923 -7.720 6.172 1.00 0.24 C ATOM 661 CE LYS A 46 -1.331 -9.068 5.606 1.00 0.34 C ATOM 662 NZ LYS A 46 -2.004 -8.947 4.282 1.00 0.55 N ATOM 0 H LYS A 46 1.365 -8.167 9.594 1.00 0.21 H new ATOM 0 HA LYS A 46 2.467 -6.466 7.747 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.385 -6.420 8.802 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.152 -5.745 7.276 1.00 0.20 H new ATOM 0 HG2 LYS A 46 1.008 -8.283 6.929 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.313 -8.591 8.039 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -1.807 -7.190 6.528 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.482 -7.110 5.383 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -0.448 -9.699 5.506 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.001 -9.566 6.307 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -2.096 -9.889 3.852 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -2.949 -8.531 4.409 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -1.438 -8.336 3.659 1.00 0.55 H new ATOM 676 N GLU A 47 2.603 -4.167 8.553 1.00 0.13 N ATOM 677 CA GLU A 47 2.673 -2.750 8.876 1.00 0.14 C ATOM 678 C GLU A 47 2.839 -2.001 7.577 1.00 0.11 C ATOM 679 O GLU A 47 3.380 -2.552 6.619 1.00 0.12 O ATOM 680 CB GLU A 47 3.829 -2.425 9.817 1.00 0.18 C ATOM 681 CG GLU A 47 3.716 -3.110 11.160 1.00 0.32 C ATOM 682 CD GLU A 47 4.931 -2.890 12.035 1.00 0.33 C ATOM 683 OE1 GLU A 47 5.913 -3.655 11.910 1.00 0.47 O ATOM 684 OE2 GLU A 47 4.913 -1.943 12.852 1.00 0.64 O ATOM 0 H GLU A 47 3.202 -4.438 7.773 1.00 0.13 H new ATOM 0 HA GLU A 47 1.761 -2.456 9.395 1.00 0.14 H new ATOM 0 HB2 GLU A 47 4.767 -2.718 9.345 1.00 0.18 H new ATOM 0 HB3 GLU A 47 3.873 -1.347 9.969 1.00 0.18 H new ATOM 0 HG2 GLU A 47 2.830 -2.742 11.677 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.574 -4.180 11.006 1.00 0.32 H new ATOM 691 N TRP A 48 2.339 -0.781 7.525 1.00 0.11 N ATOM 692 CA TRP A 48 2.439 0.019 6.324 1.00 0.11 C ATOM 693 C TRP A 48 3.875 0.118 5.846 1.00 0.10 C ATOM 694 O TRP A 48 4.736 0.639 6.545 1.00 0.12 O ATOM 695 CB TRP A 48 1.911 1.413 6.564 1.00 0.12 C ATOM 696 CG TRP A 48 0.432 1.538 6.457 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.426 1.943 7.431 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.365 1.265 5.300 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.707 1.970 6.940 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.696 1.543 5.639 1.00 0.12 C ATOM 701 CE3 TRP A 48 -0.077 0.813 4.007 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.743 1.390 4.734 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -1.118 0.658 3.112 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.434 0.946 3.481 1.00 0.14 C ATOM 0 H TRP A 48 1.860 -0.324 8.301 1.00 0.11 H new ATOM 0 HA TRP A 48 1.840 -0.475 5.559 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.220 1.739 7.557 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.373 2.092 5.847 1.00 0.12 H new ATOM 0 HD1 TRP A 48 -0.142 2.204 8.440 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.534 2.261 7.460 1.00 0.13 H new ATOM 0 HE3 TRP A 48 0.939 0.590 3.715 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.762 1.614 5.013 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.911 0.309 2.111 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -3.225 0.814 2.758 1.00 0.14 H new ATOM 715 N ARG A 49 4.137 -0.393 4.665 1.00 0.11 N ATOM 716 CA ARG A 49 5.465 -0.324 4.106 1.00 0.13 C ATOM 717 C ARG A 49 5.386 -0.058 2.620 1.00 0.11 C ATOM 718 O ARG A 49 4.318 -0.169 2.012 1.00 0.13 O ATOM 719 CB ARG A 49 6.225 -1.623 4.367 1.00 0.15 C ATOM 720 CG ARG A 49 6.544 -1.839 5.831 1.00 0.21 C ATOM 721 CD ARG A 49 6.985 -3.256 6.122 1.00 0.31 C ATOM 722 NE ARG A 49 6.534 -3.680 7.440 1.00 0.51 N ATOM 723 CZ ARG A 49 7.087 -4.660 8.142 1.00 0.30 C ATOM 724 NH1 ARG A 49 8.169 -5.269 7.688 1.00 0.82 N ATOM 725 NH2 ARG A 49 6.563 -5.016 9.309 1.00 0.45 N ATOM 0 H ARG A 49 3.449 -0.860 4.075 1.00 0.11 H new ATOM 0 HA ARG A 49 6.003 0.493 4.586 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.634 -2.463 4.002 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.153 -1.615 3.796 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.330 -1.147 6.135 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.664 -1.605 6.430 1.00 0.21 H new ATOM 0 HD2 ARG A 49 6.586 -3.929 5.363 1.00 0.31 H new ATOM 0 HD3 ARG A 49 8.072 -3.322 6.066 1.00 0.31 H new ATOM 0 HE ARG A 49 5.739 -3.190 7.851 1.00 0.51 H new ATOM 0 HH11 ARG A 49 8.578 -4.985 6.798 1.00 0.82 H new ATOM 0 HH12 ARG A 49 8.594 -6.023 8.228 1.00 0.82 H new ATOM 0 HH21 ARG A 49 5.736 -4.536 9.664 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.987 -5.770 9.850 1.00 0.45 H new ATOM 739 N CYS A 50 6.521 0.269 2.044 1.00 0.11 N ATOM 740 CA CYS A 50 6.597 0.518 0.628 1.00 0.11 C ATOM 741 C CYS A 50 7.176 -0.714 -0.047 1.00 0.11 C ATOM 742 O CYS A 50 8.280 -1.139 0.277 1.00 0.17 O ATOM 743 CB CYS A 50 7.495 1.735 0.380 1.00 0.19 C ATOM 744 SG CYS A 50 7.101 3.167 1.412 1.00 1.13 S ATOM 0 H CYS A 50 7.407 0.368 2.540 1.00 0.11 H new ATOM 0 HA CYS A 50 5.608 0.723 0.219 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.532 1.449 0.555 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.416 2.023 -0.668 1.00 0.19 H new ATOM 0 HG CYS A 50 5.993 3.707 1.000 1.00 1.13 H new ATOM 750 N TYR A 51 6.422 -1.273 -0.978 1.00 0.10 N ATOM 751 CA TYR A 51 6.817 -2.482 -1.684 1.00 0.11 C ATOM 752 C TYR A 51 6.730 -2.240 -3.175 1.00 0.10 C ATOM 753 O TYR A 51 5.672 -1.858 -3.671 1.00 0.11 O ATOM 754 CB TYR A 51 5.878 -3.639 -1.340 1.00 0.11 C ATOM 755 CG TYR A 51 5.823 -3.988 0.111 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.987 -4.249 0.802 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.620 -4.070 0.784 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.958 -4.590 2.135 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.580 -4.406 2.121 1.00 0.16 C ATOM 760 CZ TYR A 51 5.692 -4.601 2.801 1.00 0.16 C ATOM 761 OH TYR A 51 5.718 -5.018 4.110 1.00 0.20 O ATOM 0 H TYR A 51 5.517 -0.902 -1.267 1.00 0.10 H new ATOM 0 HA TYR A 51 7.835 -2.735 -1.387 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.873 -3.386 -1.677 1.00 0.11 H new ATOM 0 HB3 TYR A 51 6.189 -4.521 -1.900 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.936 -4.185 0.290 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.699 -3.869 0.257 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.866 -4.842 2.663 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.626 -4.511 2.617 1.00 0.16 H new ATOM 0 HH TYR A 51 4.836 -4.880 4.515 1.00 0.20 H new ATOM 771 N ILE A 52 7.809 -2.439 -3.903 1.00 0.11 N ATOM 772 CA ILE A 52 7.715 -2.352 -5.344 1.00 0.12 C ATOM 773 C ILE A 52 7.005 -3.580 -5.886 1.00 0.15 C ATOM 774 O ILE A 52 7.056 -4.654 -5.289 1.00 0.17 O ATOM 775 CB ILE A 52 9.073 -2.183 -6.039 1.00 0.15 C ATOM 776 CG1 ILE A 52 10.094 -3.083 -5.456 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.554 -0.749 -5.937 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.403 -3.007 -6.195 1.00 0.24 C ATOM 0 H ILE A 52 8.735 -2.656 -3.535 1.00 0.11 H new ATOM 0 HA ILE A 52 7.143 -1.451 -5.565 1.00 0.12 H new ATOM 0 HB ILE A 52 8.933 -2.445 -7.088 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.253 -2.821 -4.410 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.726 -4.109 -5.475 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.518 -0.652 -6.436 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.830 -0.088 -6.414 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.660 -0.474 -4.887 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.122 -3.684 -5.733 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.251 -3.295 -7.235 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.786 -1.987 -6.153 1.00 0.24 H new ATOM 790 N GLU A 53 6.328 -3.391 -7.016 1.00 0.16 N ATOM 791 CA GLU A 53 5.520 -4.417 -7.659 1.00 0.18 C ATOM 792 C GLU A 53 6.305 -5.703 -7.863 1.00 0.20 C ATOM 793 O GLU A 53 5.728 -6.778 -8.034 1.00 0.24 O ATOM 794 CB GLU A 53 5.011 -3.906 -9.001 1.00 0.19 C ATOM 795 CG GLU A 53 4.148 -4.917 -9.715 1.00 0.22 C ATOM 796 CD GLU A 53 3.607 -4.407 -11.029 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.823 -3.435 -11.017 1.00 0.34 O ATOM 798 OE2 GLU A 53 3.965 -4.972 -12.080 1.00 0.39 O ATOM 0 H GLU A 53 6.327 -2.503 -7.518 1.00 0.16 H new ATOM 0 HA GLU A 53 4.678 -4.639 -7.004 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.439 -2.991 -8.845 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.860 -3.647 -9.633 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.730 -5.821 -9.894 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.315 -5.196 -9.069 1.00 0.22 H new ATOM 805 N LYS A 54 7.622 -5.560 -7.857 1.00 0.20 N ATOM 806 CA LYS A 54 8.542 -6.682 -7.924 1.00 0.24 C ATOM 807 C LYS A 54 8.182 -7.728 -6.887 1.00 0.25 C ATOM 808 O LYS A 54 8.209 -8.933 -7.141 1.00 0.30 O ATOM 809 CB LYS A 54 9.955 -6.187 -7.598 1.00 0.26 C ATOM 810 CG LYS A 54 11.064 -6.951 -8.304 1.00 0.79 C ATOM 811 CD LYS A 54 12.415 -6.268 -8.133 1.00 1.67 C ATOM 812 CE LYS A 54 12.869 -6.235 -6.682 1.00 2.57 C ATOM 813 NZ LYS A 54 13.251 -7.581 -6.178 1.00 3.37 N ATOM 0 H LYS A 54 8.085 -4.653 -7.805 1.00 0.20 H new ATOM 0 HA LYS A 54 8.488 -7.112 -8.924 1.00 0.24 H new ATOM 0 HB2 LYS A 54 10.029 -5.133 -7.865 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.112 -6.254 -6.521 1.00 0.26 H new ATOM 0 HG2 LYS A 54 11.116 -7.965 -7.908 1.00 0.79 H new ATOM 0 HG3 LYS A 54 10.830 -7.034 -9.365 1.00 0.79 H new ATOM 0 HD2 LYS A 54 13.161 -6.790 -8.732 1.00 1.67 H new ATOM 0 HD3 LYS A 54 12.355 -5.249 -8.515 1.00 1.67 H new ATOM 0 HE2 LYS A 54 13.718 -5.559 -6.585 1.00 2.57 H new ATOM 0 HE3 LYS A 54 12.068 -5.832 -6.062 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 13.856 -7.478 -5.338 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 12.394 -8.113 -5.924 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 13.771 -8.094 -6.918 1.00 3.37 H new ATOM 827 N GLU A 55 7.852 -7.225 -5.719 1.00 0.22 N ATOM 828 CA GLU A 55 7.772 -8.018 -4.523 1.00 0.26 C ATOM 829 C GLU A 55 6.338 -8.424 -4.195 1.00 0.24 C ATOM 830 O GLU A 55 6.103 -9.514 -3.666 1.00 0.38 O ATOM 831 CB GLU A 55 8.388 -7.193 -3.411 1.00 0.28 C ATOM 832 CG GLU A 55 9.704 -6.554 -3.822 1.00 0.27 C ATOM 833 CD GLU A 55 10.811 -7.568 -4.018 1.00 0.32 C ATOM 834 OE1 GLU A 55 10.845 -8.228 -5.076 1.00 0.70 O ATOM 835 OE2 GLU A 55 11.671 -7.696 -3.125 1.00 0.71 O ATOM 0 H GLU A 55 7.629 -6.240 -5.576 1.00 0.22 H new ATOM 0 HA GLU A 55 8.312 -8.956 -4.655 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.688 -6.414 -3.110 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.552 -7.828 -2.540 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.559 -5.997 -4.748 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.007 -5.834 -3.061 1.00 0.27 H new ATOM 842 N LEU A 56 5.373 -7.565 -4.524 1.00 0.15 N ATOM 843 CA LEU A 56 3.980 -7.880 -4.275 1.00 0.14 C ATOM 844 C LEU A 56 3.531 -9.031 -5.149 1.00 0.16 C ATOM 845 O LEU A 56 4.188 -9.405 -6.120 1.00 0.22 O ATOM 846 CB LEU A 56 3.042 -6.708 -4.559 1.00 0.14 C ATOM 847 CG LEU A 56 3.052 -5.540 -3.576 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.363 -4.810 -3.678 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.917 -4.601 -3.923 1.00 0.15 C ATOM 0 H LEU A 56 5.535 -6.657 -4.959 1.00 0.15 H new ATOM 0 HA LEU A 56 3.923 -8.133 -3.216 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.283 -6.317 -5.548 1.00 0.14 H new ATOM 0 HB3 LEU A 56 2.025 -7.096 -4.609 1.00 0.14 H new ATOM 0 HG LEU A 56 2.927 -5.909 -2.558 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.371 -3.976 -2.976 1.00 0.12 H new ATOM 0 HD12 LEU A 56 5.179 -5.492 -3.439 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.491 -4.432 -4.692 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.913 -3.762 -3.227 1.00 0.15 H new ATOM 0 HD22 LEU A 56 2.050 -4.230 -4.939 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.969 -5.134 -3.853 1.00 0.15 H new ATOM 861 N ASP A 57 2.393 -9.561 -4.795 1.00 0.16 N ATOM 862 CA ASP A 57 1.751 -10.609 -5.555 1.00 0.19 C ATOM 863 C ASP A 57 0.333 -10.178 -5.879 1.00 0.21 C ATOM 864 O ASP A 57 -0.476 -9.973 -4.974 1.00 0.24 O ATOM 865 CB ASP A 57 1.727 -11.913 -4.756 1.00 0.22 C ATOM 866 CG ASP A 57 1.396 -13.108 -5.617 1.00 0.28 C ATOM 867 OD1 ASP A 57 0.979 -12.914 -6.779 1.00 0.98 O ATOM 868 OD2 ASP A 57 1.539 -14.250 -5.139 1.00 0.80 O ATOM 0 H ASP A 57 1.876 -9.278 -3.963 1.00 0.16 H new ATOM 0 HA ASP A 57 2.309 -10.782 -6.475 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.698 -12.066 -4.285 1.00 0.22 H new ATOM 0 HB3 ASP A 57 0.993 -11.832 -3.954 1.00 0.22 H new ATOM 873 N PHE A 58 0.033 -10.025 -7.157 1.00 0.21 N ATOM 874 CA PHE A 58 -1.289 -9.589 -7.581 1.00 0.23 C ATOM 875 C PHE A 58 -2.235 -10.774 -7.742 1.00 0.28 C ATOM 876 O PHE A 58 -3.329 -10.639 -8.290 1.00 0.35 O ATOM 877 CB PHE A 58 -1.200 -8.782 -8.871 1.00 0.27 C ATOM 878 CG PHE A 58 -0.836 -7.344 -8.643 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.475 -6.963 -8.390 1.00 0.25 C ATOM 880 CD2 PHE A 58 -1.813 -6.369 -8.691 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.799 -5.635 -8.191 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.495 -5.039 -8.491 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.188 -4.672 -8.243 1.00 0.31 C ATOM 0 H PHE A 58 0.687 -10.196 -7.921 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.697 -8.944 -6.803 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.459 -9.238 -9.527 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.158 -8.830 -9.389 1.00 0.27 H new ATOM 0 HD1 PHE A 58 1.250 -7.714 -8.348 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -2.837 -6.649 -8.887 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.822 -5.351 -7.995 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.269 -4.287 -8.529 1.00 0.33 H new ATOM 0 HZ PHE A 58 0.062 -3.633 -8.090 1.00 0.31 H new ATOM 893 N SER A 59 -1.807 -11.934 -7.265 1.00 0.27 N ATOM 894 CA SER A 59 -2.709 -13.063 -7.127 1.00 0.33 C ATOM 895 C SER A 59 -3.195 -13.083 -5.692 1.00 0.33 C ATOM 896 O SER A 59 -4.031 -13.893 -5.297 1.00 0.38 O ATOM 897 CB SER A 59 -2.030 -14.379 -7.497 1.00 0.38 C ATOM 898 OG SER A 59 -0.902 -14.628 -6.682 1.00 1.29 O ATOM 0 H SER A 59 -0.848 -12.115 -6.970 1.00 0.27 H new ATOM 0 HA SER A 59 -3.548 -12.953 -7.813 1.00 0.33 H new ATOM 0 HB2 SER A 59 -2.742 -15.198 -7.395 1.00 0.38 H new ATOM 0 HB3 SER A 59 -1.725 -14.351 -8.543 1.00 0.38 H new ATOM 0 HG SER A 59 -0.128 -14.142 -7.037 1.00 1.29 H new ATOM 904 N LYS A 60 -2.645 -12.151 -4.925 1.00 0.29 N ATOM 905 CA LYS A 60 -3.089 -11.878 -3.582 1.00 0.29 C ATOM 906 C LYS A 60 -3.894 -10.606 -3.607 1.00 0.29 C ATOM 907 O LYS A 60 -3.439 -9.592 -4.142 1.00 0.30 O ATOM 908 CB LYS A 60 -1.918 -11.635 -2.632 1.00 0.31 C ATOM 909 CG LYS A 60 -1.517 -12.801 -1.736 1.00 0.46 C ATOM 910 CD LYS A 60 -0.614 -13.813 -2.434 1.00 0.97 C ATOM 911 CE LYS A 60 -1.369 -14.752 -3.357 1.00 1.43 C ATOM 912 NZ LYS A 60 -0.449 -15.730 -3.999 1.00 2.40 N ATOM 0 H LYS A 60 -1.870 -11.562 -5.230 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.660 -12.739 -3.236 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -1.051 -11.347 -3.226 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -2.165 -10.785 -1.996 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -1.005 -12.414 -0.855 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -2.416 -13.307 -1.386 1.00 0.46 H new ATOM 0 HD2 LYS A 60 0.142 -13.279 -3.009 1.00 0.97 H new ATOM 0 HD3 LYS A 60 -0.087 -14.400 -1.681 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -2.134 -15.285 -2.792 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -1.884 -14.175 -4.125 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -0.846 -16.033 -4.911 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 0.477 -15.284 -4.156 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 -0.334 -16.557 -3.379 1.00 2.40 H new ATOM 926 N SER A 61 -5.077 -10.631 -3.050 1.00 0.33 N ATOM 927 CA SER A 61 -5.800 -9.404 -2.904 1.00 0.36 C ATOM 928 C SER A 61 -5.410 -8.771 -1.585 1.00 0.40 C ATOM 929 O SER A 61 -5.618 -9.340 -0.512 1.00 0.49 O ATOM 930 CB SER A 61 -7.301 -9.611 -2.997 1.00 0.45 C ATOM 931 OG SER A 61 -7.644 -10.334 -4.169 1.00 1.19 O ATOM 0 H SER A 61 -5.547 -11.466 -2.700 1.00 0.33 H new ATOM 0 HA SER A 61 -5.538 -8.737 -3.725 1.00 0.36 H new ATOM 0 HB2 SER A 61 -7.652 -10.150 -2.117 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.805 -8.645 -3.001 1.00 0.45 H new ATOM 0 HG SER A 61 -8.616 -10.456 -4.205 1.00 1.19 H new ATOM 937 N GLY A 62 -4.830 -7.597 -1.684 1.00 0.42 N ATOM 938 CA GLY A 62 -4.197 -6.978 -0.551 1.00 0.53 C ATOM 939 C GLY A 62 -5.184 -6.378 0.404 1.00 0.36 C ATOM 940 O GLY A 62 -5.716 -5.298 0.162 1.00 0.28 O ATOM 0 H GLY A 62 -4.786 -7.052 -2.545 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -3.594 -7.719 -0.027 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.516 -6.202 -0.899 1.00 0.53 H new ATOM 944 N ASP A 63 -5.413 -7.070 1.502 1.00 0.39 N ATOM 945 CA ASP A 63 -6.229 -6.551 2.587 1.00 0.35 C ATOM 946 C ASP A 63 -5.390 -5.588 3.420 1.00 0.28 C ATOM 947 O ASP A 63 -5.655 -5.347 4.597 1.00 0.36 O ATOM 948 CB ASP A 63 -6.740 -7.703 3.455 1.00 0.53 C ATOM 949 CG ASP A 63 -5.616 -8.445 4.156 1.00 1.59 C ATOM 950 OD1 ASP A 63 -4.714 -8.956 3.464 1.00 2.10 O ATOM 951 OD2 ASP A 63 -5.631 -8.527 5.404 1.00 2.41 O ATOM 0 H ASP A 63 -5.041 -8.005 1.669 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.090 -6.021 2.180 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -7.433 -7.313 4.200 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -7.300 -8.402 2.833 1.00 0.53 H new ATOM 956 N GLY A 64 -4.385 -5.032 2.768 1.00 0.19 N ATOM 957 CA GLY A 64 -3.434 -4.169 3.423 1.00 0.17 C ATOM 958 C GLY A 64 -3.325 -2.844 2.702 1.00 0.14 C ATOM 959 O GLY A 64 -2.262 -2.247 2.620 1.00 0.20 O ATOM 0 H GLY A 64 -4.210 -5.169 1.772 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -3.739 -4.002 4.456 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.458 -4.653 3.453 1.00 0.17 H new ATOM 963 N CYS A 65 -4.427 -2.408 2.133 1.00 0.16 N ATOM 964 CA CYS A 65 -4.492 -1.119 1.469 1.00 0.19 C ATOM 965 C CYS A 65 -5.444 -0.240 2.251 1.00 0.20 C ATOM 966 O CYS A 65 -6.048 -0.696 3.211 1.00 0.28 O ATOM 967 CB CYS A 65 -4.999 -1.302 0.042 1.00 0.20 C ATOM 968 SG CYS A 65 -4.362 -2.783 -0.765 1.00 0.30 S ATOM 0 H CYS A 65 -5.302 -2.932 2.116 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.505 -0.659 1.427 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.088 -1.345 0.055 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -4.721 -0.429 -0.548 1.00 0.20 H new ATOM 0 HG CYS A 65 -4.867 -3.838 -0.197 1.00 0.30 H new ATOM 974 N VAL A 66 -5.583 1.003 1.858 1.00 0.23 N ATOM 975 CA VAL A 66 -6.516 1.888 2.521 1.00 0.20 C ATOM 976 C VAL A 66 -7.461 2.505 1.510 1.00 0.20 C ATOM 977 O VAL A 66 -7.095 2.752 0.360 1.00 0.25 O ATOM 978 CB VAL A 66 -5.792 2.985 3.336 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.564 3.465 2.600 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.704 4.161 3.641 1.00 0.20 C ATOM 0 H VAL A 66 -5.066 1.425 1.087 1.00 0.23 H new ATOM 0 HA VAL A 66 -7.094 1.292 3.228 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.494 2.539 4.285 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -4.066 4.237 3.187 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.882 2.629 2.447 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.856 3.876 1.634 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -6.155 4.908 4.215 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -7.051 4.604 2.707 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.561 3.816 4.220 1.00 0.20 H new ATOM 990 N ASP A 67 -8.681 2.707 1.956 1.00 0.18 N ATOM 991 CA ASP A 67 -9.735 3.284 1.149 1.00 0.23 C ATOM 992 C ASP A 67 -9.525 4.806 1.085 1.00 0.24 C ATOM 993 O ASP A 67 -8.401 5.280 1.254 1.00 0.26 O ATOM 994 CB ASP A 67 -11.072 2.887 1.797 1.00 0.29 C ATOM 995 CG ASP A 67 -12.315 3.301 1.024 1.00 0.85 C ATOM 996 OD1 ASP A 67 -12.168 3.716 -0.146 1.00 1.49 O ATOM 997 OD2 ASP A 67 -13.430 3.219 1.572 1.00 1.04 O ATOM 0 H ASP A 67 -8.974 2.472 2.904 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.730 2.919 0.122 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -11.088 1.805 1.926 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -11.120 3.327 2.793 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.571 5.565 0.817 1.00 0.28 N ATOM 1003 CA ASP A 68 -10.460 7.024 0.796 1.00 0.32 C ATOM 1004 C ASP A 68 -10.098 7.547 2.175 1.00 0.33 C ATOM 1005 O ASP A 68 -9.210 8.372 2.317 1.00 0.73 O ATOM 1006 CB ASP A 68 -11.735 7.718 0.266 1.00 0.45 C ATOM 1007 CG ASP A 68 -13.043 7.293 0.932 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -12.975 6.502 1.907 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -14.131 7.728 0.498 1.00 1.41 O ATOM 0 H ASP A 68 -11.503 5.206 0.611 1.00 0.28 H new ATOM 0 HA ASP A 68 -9.661 7.270 0.097 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -11.619 8.795 0.389 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -11.814 7.526 -0.804 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.767 7.049 3.189 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.416 7.374 4.558 1.00 0.28 C ATOM 1016 C CYS A 69 -9.498 6.278 5.063 1.00 0.24 C ATOM 1017 O CYS A 69 -9.344 5.259 4.390 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.671 7.455 5.421 1.00 0.40 C ATOM 1019 SG CYS A 69 -11.396 8.089 7.092 1.00 1.49 S ATOM 0 H CYS A 69 -11.560 6.415 3.094 1.00 0.32 H new ATOM 0 HA CYS A 69 -9.918 8.342 4.607 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -12.400 8.092 4.920 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.112 6.461 5.492 1.00 0.40 H new ATOM 0 HG CYS A 69 -10.772 7.194 7.798 1.00 1.49 H new ATOM 1025 N GLY A 70 -8.900 6.450 6.236 1.00 0.25 N ATOM 1026 CA GLY A 70 -7.960 5.455 6.702 1.00 0.25 C ATOM 1027 C GLY A 70 -8.674 4.244 7.247 1.00 0.28 C ATOM 1028 O GLY A 70 -8.741 4.022 8.455 1.00 0.36 O ATOM 0 H GLY A 70 -9.046 7.244 6.860 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.306 5.157 5.883 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.325 5.885 7.476 1.00 0.25 H new ATOM 1032 N SER A 71 -9.217 3.479 6.327 1.00 0.25 N ATOM 1033 CA SER A 71 -9.823 2.204 6.601 1.00 0.28 C ATOM 1034 C SER A 71 -9.264 1.233 5.587 1.00 0.25 C ATOM 1035 O SER A 71 -9.165 1.563 4.406 1.00 0.24 O ATOM 1036 CB SER A 71 -11.346 2.294 6.488 1.00 0.34 C ATOM 1037 OG SER A 71 -11.963 1.060 6.823 1.00 1.10 O ATOM 0 H SER A 71 -9.248 3.738 5.341 1.00 0.25 H new ATOM 0 HA SER A 71 -9.601 1.875 7.616 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.716 3.079 7.148 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.621 2.576 5.472 1.00 0.34 H new ATOM 0 HG SER A 71 -12.936 1.148 6.743 1.00 1.10 H new ATOM 1043 N MET A 72 -8.872 0.060 6.028 1.00 0.32 N ATOM 1044 CA MET A 72 -8.134 -0.826 5.159 1.00 0.30 C ATOM 1045 C MET A 72 -9.048 -1.524 4.171 1.00 0.30 C ATOM 1046 O MET A 72 -9.950 -2.275 4.545 1.00 0.46 O ATOM 1047 CB MET A 72 -7.317 -1.831 5.958 1.00 0.36 C ATOM 1048 CG MET A 72 -6.349 -1.176 6.932 1.00 0.85 C ATOM 1049 SD MET A 72 -5.364 -2.368 7.860 1.00 1.03 S ATOM 1050 CE MET A 72 -4.376 -1.261 8.863 1.00 1.68 C ATOM 0 H MET A 72 -9.048 -0.298 6.967 1.00 0.32 H new ATOM 0 HA MET A 72 -7.438 -0.214 4.586 1.00 0.30 H new ATOM 0 HB2 MET A 72 -7.994 -2.482 6.511 1.00 0.36 H new ATOM 0 HB3 MET A 72 -6.757 -2.464 5.269 1.00 0.36 H new ATOM 0 HG2 MET A 72 -5.682 -0.513 6.381 1.00 0.85 H new ATOM 0 HG3 MET A 72 -6.910 -0.555 7.630 1.00 0.85 H new ATOM 0 HE1 MET A 72 -3.773 -1.842 9.561 1.00 1.68 H new ATOM 0 HE2 MET A 72 -3.721 -0.674 8.219 1.00 1.68 H new ATOM 0 HE3 MET A 72 -5.032 -0.592 9.420 1.00 1.68 H new ATOM 1060 N THR A 73 -8.805 -1.242 2.906 1.00 0.21 N ATOM 1061 CA THR A 73 -9.559 -1.831 1.821 1.00 0.19 C ATOM 1062 C THR A 73 -8.747 -2.948 1.184 1.00 0.18 C ATOM 1063 O THR A 73 -7.514 -2.944 1.239 1.00 0.19 O ATOM 1064 CB THR A 73 -9.923 -0.784 0.743 1.00 0.21 C ATOM 1065 OG1 THR A 73 -10.766 -1.375 -0.259 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.669 -0.239 0.081 1.00 0.22 C ATOM 0 H THR A 73 -8.076 -0.596 2.603 1.00 0.21 H new ATOM 0 HA THR A 73 -10.486 -2.227 2.235 1.00 0.19 H new ATOM 0 HB THR A 73 -10.454 0.033 1.231 1.00 0.21 H new ATOM 0 HG1 THR A 73 -10.991 -0.702 -0.935 1.00 0.26 H new ATOM 0 HG21 THR A 73 -8.947 0.496 -0.674 1.00 0.22 H new ATOM 0 HG22 THR A 73 -8.037 0.234 0.833 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.122 -1.056 -0.391 1.00 0.22 H new ATOM 1074 N SER A 74 -9.434 -3.904 0.596 1.00 0.27 N ATOM 1075 CA SER A 74 -8.787 -4.988 -0.085 1.00 0.30 C ATOM 1076 C SER A 74 -8.566 -4.644 -1.558 1.00 0.35 C ATOM 1077 O SER A 74 -9.510 -4.401 -2.306 1.00 0.47 O ATOM 1078 CB SER A 74 -9.634 -6.241 0.081 1.00 0.37 C ATOM 1079 OG SER A 74 -11.016 -5.919 0.082 1.00 1.25 O ATOM 0 H SER A 74 -10.453 -3.945 0.580 1.00 0.27 H new ATOM 0 HA SER A 74 -7.803 -5.167 0.348 1.00 0.30 H new ATOM 0 HB2 SER A 74 -9.420 -6.940 -0.727 1.00 0.37 H new ATOM 0 HB3 SER A 74 -9.372 -6.742 1.013 1.00 0.37 H new ATOM 0 HG SER A 74 -11.543 -6.739 0.188 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.304 -4.600 -1.950 1.00 0.30 N ATOM 1086 CA CYS A 75 -6.921 -4.264 -3.317 1.00 0.35 C ATOM 1087 C CYS A 75 -5.728 -5.115 -3.731 1.00 0.33 C ATOM 1088 O CYS A 75 -4.764 -5.235 -2.979 1.00 0.43 O ATOM 1089 CB CYS A 75 -6.583 -2.778 -3.417 1.00 0.39 C ATOM 1090 SG CYS A 75 -6.156 -2.209 -5.080 1.00 1.40 S ATOM 0 H CYS A 75 -6.515 -4.795 -1.334 1.00 0.30 H new ATOM 0 HA CYS A 75 -7.754 -4.470 -3.990 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -7.435 -2.201 -3.058 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -5.749 -2.564 -2.749 1.00 0.39 H new ATOM 0 HG CYS A 75 -5.890 -0.937 -5.049 1.00 1.40 H new ATOM 1096 N ARG A 76 -5.802 -5.698 -4.924 1.00 0.27 N ATOM 1097 CA ARG A 76 -4.834 -6.704 -5.363 1.00 0.26 C ATOM 1098 C ARG A 76 -3.416 -6.170 -5.374 1.00 0.22 C ATOM 1099 O ARG A 76 -3.098 -5.186 -6.039 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.215 -7.282 -6.721 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.344 -8.286 -6.625 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.666 -7.595 -6.426 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.648 -7.944 -7.450 1.00 1.01 N ATOM 1104 CZ ARG A 76 -9.710 -7.194 -7.754 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -9.893 -6.017 -7.163 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -10.579 -7.617 -8.660 1.00 1.87 N ATOM 0 H ARG A 76 -6.527 -5.490 -5.610 1.00 0.27 H new ATOM 0 HA ARG A 76 -4.864 -7.512 -4.632 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.509 -6.472 -7.388 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.343 -7.761 -7.166 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.378 -8.888 -7.533 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -6.158 -8.969 -5.796 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.063 -7.856 -5.445 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.511 -6.516 -6.431 1.00 0.79 H new ATOM 0 HE ARG A 76 -8.514 -8.814 -7.964 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -9.220 -5.683 -6.473 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -10.706 -5.449 -7.399 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -10.436 -8.514 -9.124 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -11.391 -7.046 -8.894 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.596 -6.818 -4.567 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.227 -6.424 -4.367 1.00 0.19 C ATOM 1122 C GLY A 77 -0.820 -6.792 -2.970 1.00 0.24 C ATOM 1123 O GLY A 77 -1.344 -6.222 -2.021 1.00 0.59 O ATOM 0 H GLY A 77 -2.871 -7.640 -4.030 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.581 -6.920 -5.092 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.116 -5.351 -4.523 1.00 0.19 H new ATOM 1127 N SER A 78 0.057 -7.760 -2.810 1.00 0.20 N ATOM 1128 CA SER A 78 0.406 -8.194 -1.469 1.00 0.17 C ATOM 1129 C SER A 78 1.654 -9.022 -1.419 1.00 0.20 C ATOM 1130 O SER A 78 1.962 -9.785 -2.320 1.00 0.26 O ATOM 1131 CB SER A 78 -0.757 -8.984 -0.861 1.00 0.20 C ATOM 1132 OG SER A 78 -0.403 -9.616 0.358 1.00 0.73 O ATOM 0 H SER A 78 0.532 -8.252 -3.567 1.00 0.20 H new ATOM 0 HA SER A 78 0.602 -7.291 -0.890 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.598 -8.312 -0.688 1.00 0.20 H new ATOM 0 HB3 SER A 78 -1.093 -9.737 -1.574 1.00 0.20 H new ATOM 0 HG SER A 78 -0.029 -8.952 0.974 1.00 0.73 H new ATOM 1138 N VAL A 79 2.339 -8.871 -0.316 1.00 0.18 N ATOM 1139 CA VAL A 79 3.583 -9.566 -0.087 1.00 0.20 C ATOM 1140 C VAL A 79 3.310 -11.006 0.343 1.00 0.27 C ATOM 1141 O VAL A 79 3.047 -11.290 1.514 1.00 0.33 O ATOM 1142 CB VAL A 79 4.438 -8.833 0.964 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.681 -9.629 1.335 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.835 -7.459 0.445 1.00 0.25 C ATOM 0 H VAL A 79 2.052 -8.263 0.451 1.00 0.18 H new ATOM 0 HA VAL A 79 4.146 -9.583 -1.020 1.00 0.20 H new ATOM 0 HB VAL A 79 3.834 -8.722 1.865 1.00 0.23 H new ATOM 0 HG11 VAL A 79 6.257 -9.078 2.079 1.00 0.31 H new ATOM 0 HG12 VAL A 79 5.386 -10.594 1.747 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.292 -9.786 0.446 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.439 -6.948 1.194 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.412 -7.570 -0.473 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.938 -6.874 0.241 1.00 0.25 H new ATOM 1154 N SER A 80 3.348 -11.904 -0.630 1.00 0.33 N ATOM 1155 CA SER A 80 3.110 -13.314 -0.388 1.00 0.41 C ATOM 1156 C SER A 80 4.272 -13.924 0.388 1.00 0.43 C ATOM 1157 O SER A 80 4.112 -14.389 1.523 1.00 0.97 O ATOM 1158 CB SER A 80 2.913 -14.034 -1.721 1.00 0.48 C ATOM 1159 OG SER A 80 3.891 -13.634 -2.668 1.00 0.96 O ATOM 0 H SER A 80 3.544 -11.675 -1.604 1.00 0.33 H new ATOM 0 HA SER A 80 2.207 -13.428 0.212 1.00 0.41 H new ATOM 0 HB2 SER A 80 2.970 -15.112 -1.568 1.00 0.48 H new ATOM 0 HB3 SER A 80 1.917 -13.820 -2.110 1.00 0.48 H new ATOM 0 HG SER A 80 3.744 -14.111 -3.512 1.00 0.96 H new ATOM 1165 N GLY A 81 5.436 -13.918 -0.241 1.00 0.56 N ATOM 1166 CA GLY A 81 6.645 -14.340 0.420 1.00 0.58 C ATOM 1167 C GLY A 81 7.514 -13.158 0.743 1.00 0.56 C ATOM 1168 O GLY A 81 7.137 -12.024 0.460 1.00 0.86 O ATOM 0 H GLY A 81 5.562 -13.624 -1.210 1.00 0.56 H new ATOM 0 HA2 GLY A 81 6.396 -14.876 1.336 1.00 0.58 H new ATOM 0 HA3 GLY A 81 7.191 -15.035 -0.218 1.00 0.58 H new ATOM 1172 N PRO A 82 8.690 -13.394 1.315 1.00 0.46 N ATOM 1173 CA PRO A 82 9.621 -12.335 1.700 1.00 0.41 C ATOM 1174 C PRO A 82 9.908 -11.340 0.577 1.00 0.41 C ATOM 1175 O PRO A 82 10.414 -11.705 -0.487 1.00 0.57 O ATOM 1176 CB PRO A 82 10.892 -13.092 2.067 1.00 0.48 C ATOM 1177 CG PRO A 82 10.694 -14.470 1.537 1.00 0.61 C ATOM 1178 CD PRO A 82 9.228 -14.717 1.624 1.00 0.70 C ATOM 0 HA PRO A 82 9.211 -11.728 2.507 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.771 -12.623 1.625 1.00 0.48 H new ATOM 0 HB3 PRO A 82 11.046 -13.104 3.146 1.00 0.48 H new ATOM 0 HG2 PRO A 82 11.046 -14.550 0.509 1.00 0.61 H new ATOM 0 HG3 PRO A 82 11.252 -15.201 2.123 1.00 0.61 H new ATOM 0 HD2 PRO A 82 8.896 -15.471 0.911 1.00 0.70 H new ATOM 0 HD3 PRO A 82 8.928 -15.061 2.614 1.00 0.70 H new ATOM 1186 N SER A 83 9.582 -10.085 0.830 1.00 0.36 N ATOM 1187 CA SER A 83 9.884 -9.011 -0.097 1.00 0.37 C ATOM 1188 C SER A 83 11.143 -8.282 0.347 1.00 0.35 C ATOM 1189 O SER A 83 11.196 -7.714 1.445 1.00 0.45 O ATOM 1190 CB SER A 83 8.705 -8.046 -0.177 1.00 0.44 C ATOM 1191 OG SER A 83 7.566 -8.709 -0.685 1.00 1.45 O ATOM 0 H SER A 83 9.103 -9.784 1.679 1.00 0.36 H new ATOM 0 HA SER A 83 10.057 -9.430 -1.088 1.00 0.37 H new ATOM 0 HB2 SER A 83 8.489 -7.642 0.812 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.959 -7.202 -0.818 1.00 0.44 H new ATOM 0 HG SER A 83 7.845 -9.517 -1.164 1.00 1.45 H new ATOM 1197 N THR A 84 12.166 -8.323 -0.492 1.00 0.33 N ATOM 1198 CA THR A 84 13.418 -7.668 -0.179 1.00 0.34 C ATOM 1199 C THR A 84 13.281 -6.173 -0.373 1.00 0.23 C ATOM 1200 O THR A 84 13.623 -5.397 0.523 1.00 0.21 O ATOM 1201 CB THR A 84 14.570 -8.178 -1.049 1.00 0.46 C ATOM 1202 OG1 THR A 84 14.445 -9.595 -1.242 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.898 -7.878 -0.377 1.00 0.67 C ATOM 0 H THR A 84 12.150 -8.803 -1.392 1.00 0.33 H new ATOM 0 HA THR A 84 13.650 -7.898 0.861 1.00 0.34 H new ATOM 0 HB THR A 84 14.531 -7.675 -2.015 1.00 0.46 H new ATOM 0 HG1 THR A 84 15.184 -9.915 -1.801 1.00 0.91 H new ATOM 0 HG21 THR A 84 16.713 -8.244 -1.002 1.00 0.67 H new ATOM 0 HG22 THR A 84 16.001 -6.802 -0.239 1.00 0.67 H new ATOM 0 HG23 THR A 84 15.935 -8.373 0.593 1.00 0.67 H new ATOM 1211 N SER A 85 12.766 -5.762 -1.528 1.00 0.21 N ATOM 1212 CA SER A 85 12.480 -4.360 -1.724 1.00 0.25 C ATOM 1213 C SER A 85 11.415 -3.939 -0.745 1.00 0.29 C ATOM 1214 O SER A 85 10.299 -4.460 -0.794 1.00 0.61 O ATOM 1215 CB SER A 85 11.955 -4.006 -3.120 1.00 0.50 C ATOM 1216 OG SER A 85 11.132 -2.866 -3.003 1.00 1.76 O ATOM 0 H SER A 85 12.546 -6.368 -2.319 1.00 0.21 H new ATOM 0 HA SER A 85 13.431 -3.846 -1.584 1.00 0.25 H new ATOM 0 HB2 SER A 85 12.784 -3.809 -3.800 1.00 0.50 H new ATOM 0 HB3 SER A 85 11.392 -4.841 -3.538 1.00 0.50 H new ATOM 0 HG SER A 85 11.588 -2.092 -3.395 1.00 1.76 H new ATOM 1222 N HIS A 86 11.742 -3.025 0.149 1.00 0.19 N ATOM 1223 CA HIS A 86 10.723 -2.427 0.971 1.00 0.20 C ATOM 1224 C HIS A 86 11.270 -1.331 1.862 1.00 0.20 C ATOM 1225 O HIS A 86 12.454 -1.305 2.187 1.00 0.25 O ATOM 1226 CB HIS A 86 10.006 -3.474 1.818 1.00 0.26 C ATOM 1227 CG HIS A 86 10.814 -4.007 2.964 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.729 -5.027 2.833 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.842 -3.647 4.266 1.00 0.50 C ATOM 1230 CE1 HIS A 86 12.292 -5.263 4.003 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.770 -4.438 4.895 1.00 0.44 N ATOM 0 H HIS A 86 12.690 -2.689 0.319 1.00 0.19 H new ATOM 0 HA HIS A 86 10.006 -1.974 0.286 1.00 0.20 H new ATOM 0 HB2 HIS A 86 9.087 -3.039 2.210 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.716 -4.306 1.176 1.00 0.26 H new ATOM 0 HD1 HIS A 86 11.939 -5.523 1.967 1.00 0.29 H new ATOM 0 HD2 HIS A 86 10.243 -2.876 4.728 1.00 0.50 H new ATOM 0 HE1 HIS A 86 13.052 -6.005 4.199 1.00 0.30 H new ATOM 1240 N LEU A 87 10.381 -0.445 2.255 1.00 0.19 N ATOM 1241 CA LEU A 87 10.681 0.579 3.233 1.00 0.19 C ATOM 1242 C LEU A 87 9.575 0.612 4.267 1.00 0.18 C ATOM 1243 O LEU A 87 8.438 0.953 3.946 1.00 0.18 O ATOM 1244 CB LEU A 87 10.818 1.948 2.565 1.00 0.21 C ATOM 1245 CG LEU A 87 12.037 2.096 1.647 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.630 1.964 0.189 1.00 0.38 C ATOM 1247 CD2 LEU A 87 12.752 3.412 1.902 1.00 0.58 C ATOM 0 H LEU A 87 9.424 -0.414 1.903 1.00 0.19 H new ATOM 0 HA LEU A 87 11.631 0.344 3.714 1.00 0.19 H new ATOM 0 HB2 LEU A 87 9.917 2.145 1.984 1.00 0.21 H new ATOM 0 HB3 LEU A 87 10.870 2.712 3.341 1.00 0.21 H new ATOM 0 HG LEU A 87 12.736 1.291 1.875 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.510 2.072 -0.446 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.182 0.984 0.024 1.00 0.38 H new ATOM 0 HD13 LEU A 87 10.906 2.741 -0.059 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.613 3.493 1.238 1.00 0.58 H new ATOM 0 HD22 LEU A 87 12.069 4.240 1.713 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.088 3.449 2.938 1.00 0.58 H new ATOM 1259 N THR A 88 9.880 0.214 5.488 1.00 0.17 N ATOM 1260 CA THR A 88 8.885 0.231 6.537 1.00 0.15 C ATOM 1261 C THR A 88 8.667 1.648 7.018 1.00 0.18 C ATOM 1262 O THR A 88 9.393 2.144 7.878 1.00 0.22 O ATOM 1263 CB THR A 88 9.278 -0.660 7.726 1.00 0.17 C ATOM 1264 OG1 THR A 88 9.740 -1.934 7.251 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.103 -0.867 8.665 1.00 0.18 C ATOM 0 H THR A 88 10.800 -0.121 5.774 1.00 0.17 H new ATOM 0 HA THR A 88 7.963 -0.168 6.115 1.00 0.15 H new ATOM 0 HB THR A 88 10.076 -0.160 8.274 1.00 0.17 H new ATOM 0 HG1 THR A 88 9.990 -2.496 8.014 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.409 -1.501 9.497 1.00 0.18 H new ATOM 0 HG22 THR A 88 7.769 0.097 9.048 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.286 -1.346 8.125 1.00 0.18 H new ATOM 1273 N ARG A 89 7.689 2.316 6.430 1.00 0.19 N ATOM 1274 CA ARG A 89 7.274 3.607 6.927 1.00 0.25 C ATOM 1275 C ARG A 89 5.800 3.553 7.301 1.00 0.20 C ATOM 1276 O ARG A 89 4.983 4.260 6.727 1.00 0.24 O ATOM 1277 CB ARG A 89 7.465 4.653 5.834 1.00 0.38 C ATOM 1278 CG ARG A 89 8.795 4.585 5.120 1.00 0.33 C ATOM 1279 CD ARG A 89 9.857 5.421 5.809 1.00 1.12 C ATOM 1280 NE ARG A 89 9.358 6.729 6.235 1.00 1.99 N ATOM 1281 CZ ARG A 89 10.144 7.696 6.705 1.00 2.70 C ATOM 1282 NH1 ARG A 89 11.451 7.503 6.798 1.00 2.77 N ATOM 1283 NH2 ARG A 89 9.631 8.858 7.084 1.00 3.65 N ATOM 0 H ARG A 89 7.174 1.985 5.614 1.00 0.19 H new ATOM 0 HA ARG A 89 7.870 3.868 7.801 1.00 0.25 H new ATOM 0 HB2 ARG A 89 6.668 4.541 5.099 1.00 0.38 H new ATOM 0 HB3 ARG A 89 7.355 5.644 6.275 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.127 3.548 5.071 1.00 0.33 H new ATOM 0 HG3 ARG A 89 8.673 4.930 4.093 1.00 0.33 H new ATOM 0 HD2 ARG A 89 10.233 4.880 6.677 1.00 1.12 H new ATOM 0 HD3 ARG A 89 10.699 5.561 5.132 1.00 1.12 H new ATOM 0 HE ARG A 89 8.356 6.909 6.169 1.00 1.99 H new ATOM 0 HH11 ARG A 89 11.857 6.613 6.509 1.00 2.77 H new ATOM 0 HH12 ARG A 89 12.052 8.245 7.158 1.00 2.77 H new ATOM 0 HH21 ARG A 89 8.626 9.018 7.017 1.00 3.65 H new ATOM 0 HH22 ARG A 89 10.241 9.592 7.443 1.00 3.65 H new ATOM 1297 N PRO A 90 5.445 2.785 8.333 1.00 0.15 N ATOM 1298 CA PRO A 90 4.059 2.640 8.729 1.00 0.14 C ATOM 1299 C PRO A 90 3.579 3.884 9.455 1.00 0.16 C ATOM 1300 O PRO A 90 2.380 4.125 9.591 1.00 0.25 O ATOM 1301 CB PRO A 90 4.049 1.402 9.631 1.00 0.13 C ATOM 1302 CG PRO A 90 5.452 0.880 9.660 1.00 0.14 C ATOM 1303 CD PRO A 90 6.340 1.967 9.147 1.00 0.15 C ATOM 0 HA PRO A 90 3.383 2.521 7.882 1.00 0.14 H new ATOM 0 HB2 PRO A 90 3.710 1.657 10.635 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.363 0.648 9.245 1.00 0.13 H new ATOM 0 HG2 PRO A 90 5.736 0.598 10.674 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.543 -0.014 9.043 1.00 0.14 H new ATOM 0 HD2 PRO A 90 6.780 2.543 9.961 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.165 1.566 8.557 1.00 0.15 H new ATOM 1311 N SER A 91 4.542 4.673 9.908 1.00 0.16 N ATOM 1312 CA SER A 91 4.273 6.000 10.418 1.00 0.18 C ATOM 1313 C SER A 91 3.813 6.879 9.271 1.00 0.21 C ATOM 1314 O SER A 91 2.751 7.489 9.322 1.00 0.33 O ATOM 1315 CB SER A 91 5.548 6.586 11.010 1.00 0.27 C ATOM 1316 OG SER A 91 6.155 5.675 11.911 1.00 1.21 O ATOM 0 H SER A 91 5.527 4.408 9.931 1.00 0.16 H new ATOM 0 HA SER A 91 3.503 5.949 11.188 1.00 0.18 H new ATOM 0 HB2 SER A 91 6.246 6.831 10.209 1.00 0.27 H new ATOM 0 HB3 SER A 91 5.318 7.517 11.528 1.00 0.27 H new ATOM 0 HG SER A 91 6.973 6.073 12.277 1.00 1.21 H new ATOM 1322 N GLU A 92 4.626 6.881 8.223 1.00 0.17 N ATOM 1323 CA GLU A 92 4.428 7.731 7.062 1.00 0.20 C ATOM 1324 C GLU A 92 3.149 7.392 6.323 1.00 0.21 C ATOM 1325 O GLU A 92 2.300 8.253 6.120 1.00 0.33 O ATOM 1326 CB GLU A 92 5.632 7.586 6.136 1.00 0.30 C ATOM 1327 CG GLU A 92 5.398 8.034 4.716 1.00 0.99 C ATOM 1328 CD GLU A 92 4.859 6.929 3.828 1.00 1.98 C ATOM 1329 OE1 GLU A 92 5.552 5.905 3.677 1.00 2.78 O ATOM 1330 OE2 GLU A 92 3.743 7.082 3.305 1.00 2.37 O ATOM 0 H GLU A 92 5.451 6.284 8.157 1.00 0.17 H new ATOM 0 HA GLU A 92 4.335 8.763 7.399 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.462 8.159 6.550 1.00 0.30 H new ATOM 0 HB3 GLU A 92 5.940 6.541 6.126 1.00 0.30 H new ATOM 0 HG2 GLU A 92 4.697 8.868 4.715 1.00 0.99 H new ATOM 0 HG3 GLU A 92 6.334 8.404 4.298 1.00 0.99 H new ATOM 1337 N LEU A 93 3.045 6.151 5.887 1.00 0.17 N ATOM 1338 CA LEU A 93 1.869 5.701 5.137 1.00 0.18 C ATOM 1339 C LEU A 93 0.583 6.116 5.847 1.00 0.17 C ATOM 1340 O LEU A 93 -0.262 6.812 5.293 1.00 0.19 O ATOM 1341 CB LEU A 93 1.861 4.180 4.944 1.00 0.19 C ATOM 1342 CG LEU A 93 2.691 3.584 3.784 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.589 4.428 2.526 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.143 3.375 4.161 1.00 0.33 C ATOM 0 H LEU A 93 3.754 5.432 6.034 1.00 0.17 H new ATOM 0 HA LEU A 93 1.921 6.176 4.158 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.211 3.725 5.871 1.00 0.19 H new ATOM 0 HB3 LEU A 93 0.826 3.868 4.807 1.00 0.19 H new ATOM 0 HG LEU A 93 2.259 2.605 3.576 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.186 3.975 1.735 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.548 4.483 2.208 1.00 0.15 H new ATOM 0 HD13 LEU A 93 2.960 5.432 2.731 1.00 0.15 H new ATOM 0 HD21 LEU A 93 4.682 2.955 3.312 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.588 4.331 4.437 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.204 2.689 5.006 1.00 0.33 H new ATOM 1356 N GLN A 94 0.471 5.750 7.107 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.747 6.004 7.860 1.00 0.18 C ATOM 1358 C GLN A 94 -0.874 7.503 8.131 1.00 0.18 C ATOM 1359 O GLN A 94 -1.949 8.008 8.458 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.704 5.218 9.163 1.00 0.17 C ATOM 1361 CG GLN A 94 -2.049 5.007 9.844 1.00 0.36 C ATOM 1362 CD GLN A 94 -3.057 4.231 9.015 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -3.062 3.000 9.025 1.00 1.81 O ATOM 1364 NE2 GLN A 94 -3.962 4.930 8.345 1.00 0.34 N ATOM 0 H GLN A 94 1.205 5.276 7.633 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.617 5.682 7.287 1.00 0.18 H new ATOM 0 HB2 GLN A 94 -0.260 4.243 8.965 1.00 0.17 H new ATOM 0 HB3 GLN A 94 -0.042 5.735 9.857 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.888 4.480 10.784 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -2.473 5.980 10.093 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -3.930 5.949 8.357 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -4.690 4.449 7.817 1.00 0.34 H new ATOM 1373 N ALA A 95 0.240 8.203 7.953 1.00 0.18 N ATOM 1374 CA ALA A 95 0.294 9.639 8.127 1.00 0.19 C ATOM 1375 C ALA A 95 -0.317 10.357 6.946 1.00 0.15 C ATOM 1376 O ALA A 95 -1.134 11.239 7.130 1.00 0.18 O ATOM 1377 CB ALA A 95 1.714 10.114 8.298 1.00 0.21 C ATOM 0 H ALA A 95 1.130 7.785 7.683 1.00 0.18 H new ATOM 0 HA ALA A 95 -0.277 9.869 9.026 1.00 0.19 H new ATOM 0 HB1 ALA A 95 1.723 11.196 8.427 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.153 9.641 9.176 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.295 9.849 7.415 1.00 0.21 H new ATOM 1383 N VAL A 96 0.086 9.994 5.724 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.494 10.620 4.553 1.00 0.12 C ATOM 1385 C VAL A 96 -1.911 10.120 4.402 1.00 0.11 C ATOM 1386 O VAL A 96 -2.738 10.772 3.812 1.00 0.11 O ATOM 1387 CB VAL A 96 0.304 10.424 3.226 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.610 9.692 3.452 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.533 9.717 2.165 1.00 0.16 C ATOM 0 H VAL A 96 0.795 9.286 5.531 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.462 11.696 4.725 1.00 0.12 H new ATOM 0 HB VAL A 96 0.544 11.421 2.857 1.00 0.14 H new ATOM 0 HG11 VAL A 96 2.132 9.578 2.502 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.232 10.262 4.142 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.407 8.708 3.875 1.00 0.19 H new ATOM 0 HG21 VAL A 96 0.056 9.599 1.256 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -0.834 8.736 2.533 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.421 10.310 1.947 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.195 8.961 4.961 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.564 8.548 5.105 1.00 0.11 C ATOM 1401 C ILE A 97 -4.289 9.611 5.894 1.00 0.12 C ATOM 1402 O ILE A 97 -5.194 10.257 5.395 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.670 7.192 5.804 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.391 6.091 4.795 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -5.038 7.012 6.439 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.853 4.831 5.417 1.00 0.16 C ATOM 0 H ILE A 97 -1.503 8.301 5.316 1.00 0.11 H new ATOM 0 HA ILE A 97 -4.015 8.430 4.120 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.932 7.142 6.605 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.311 5.858 4.259 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.676 6.457 4.058 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -5.087 6.040 6.929 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.204 7.798 7.175 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.807 7.069 5.669 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.677 4.088 4.639 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.916 5.049 5.929 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.576 4.442 6.134 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.817 9.834 7.104 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.379 10.848 7.981 1.00 0.17 C ATOM 1420 C ASP A 98 -4.325 12.247 7.346 1.00 0.17 C ATOM 1421 O ASP A 98 -5.250 13.042 7.512 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.627 10.831 9.311 1.00 0.21 C ATOM 1423 CG ASP A 98 -4.149 11.853 10.299 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -5.281 11.682 10.792 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -3.441 12.846 10.570 1.00 0.98 O ATOM 0 H ASP A 98 -3.035 9.320 7.509 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.431 10.616 8.149 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.702 9.837 9.752 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.569 11.019 9.127 1.00 0.21 H new ATOM 1430 N SER A 99 -3.254 12.522 6.601 1.00 0.15 N ATOM 1431 CA SER A 99 -3.027 13.831 5.990 1.00 0.16 C ATOM 1432 C SER A 99 -3.789 13.993 4.672 1.00 0.16 C ATOM 1433 O SER A 99 -4.668 14.851 4.556 1.00 0.20 O ATOM 1434 CB SER A 99 -1.529 14.043 5.767 1.00 0.18 C ATOM 1435 OG SER A 99 -1.270 15.281 5.125 1.00 0.70 O ATOM 0 H SER A 99 -2.519 11.843 6.404 1.00 0.15 H new ATOM 0 HA SER A 99 -3.407 14.588 6.675 1.00 0.16 H new ATOM 0 HB2 SER A 99 -1.009 14.013 6.725 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.131 13.228 5.163 1.00 0.18 H new ATOM 0 HG SER A 99 -0.304 15.388 4.998 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.464 13.153 3.687 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.086 13.193 2.374 1.00 0.16 C ATOM 1443 C ASP A 100 -5.570 12.881 2.457 1.00 0.16 C ATOM 1444 O ASP A 100 -6.282 13.023 1.483 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.395 12.227 1.433 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.332 12.869 0.559 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -1.193 13.061 1.039 1.00 0.57 O ATOM 1448 OD2 ASP A 100 -2.622 13.162 -0.621 1.00 0.72 O ATOM 0 H ASP A 100 -2.757 12.424 3.785 1.00 0.14 H new ATOM 0 HA ASP A 100 -3.978 14.204 1.982 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -2.936 11.431 2.019 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.144 11.761 0.793 1.00 0.17 H new ATOM 1453 N LYS A 101 -6.037 12.432 3.615 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.470 12.303 3.859 1.00 0.16 C ATOM 1455 C LYS A 101 -8.185 13.635 3.624 1.00 0.20 C ATOM 1456 O LYS A 101 -9.389 13.677 3.387 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.718 11.831 5.278 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.258 10.418 5.379 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.727 9.693 6.605 1.00 0.17 C ATOM 1460 CE LYS A 101 -8.251 10.250 7.927 1.00 0.26 C ATOM 1461 NZ LYS A 101 -7.806 11.649 8.196 1.00 1.26 N ATOM 0 H LYS A 101 -5.447 12.152 4.399 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.869 11.568 3.160 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.784 11.892 5.837 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.422 12.512 5.757 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.347 10.448 5.418 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -7.987 9.861 4.482 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.993 8.638 6.535 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.638 9.748 6.605 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -9.340 10.218 7.921 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -7.918 9.607 8.742 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -7.698 11.788 9.221 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -6.894 11.820 7.725 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -8.515 12.315 7.829 1.00 1.26 H new ATOM 1475 N SER A 102 -7.434 14.724 3.702 1.00 0.23 N ATOM 1476 CA SER A 102 -7.953 16.036 3.353 1.00 0.28 C ATOM 1477 C SER A 102 -8.236 16.091 1.847 1.00 0.30 C ATOM 1478 O SER A 102 -9.048 16.885 1.374 1.00 0.38 O ATOM 1479 CB SER A 102 -6.940 17.112 3.752 1.00 0.36 C ATOM 1480 OG SER A 102 -7.512 18.409 3.710 1.00 1.23 O ATOM 0 H SER A 102 -6.460 14.723 4.005 1.00 0.23 H new ATOM 0 HA SER A 102 -8.884 16.219 3.890 1.00 0.28 H new ATOM 0 HB2 SER A 102 -6.570 16.909 4.757 1.00 0.36 H new ATOM 0 HB3 SER A 102 -6.081 17.071 3.082 1.00 0.36 H new ATOM 0 HG SER A 102 -6.839 19.072 3.972 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.561 15.215 1.113 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.731 15.083 -0.327 1.00 0.29 C ATOM 1488 C ASN A 103 -8.758 13.995 -0.625 1.00 0.28 C ATOM 1489 O ASN A 103 -9.578 14.118 -1.537 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.393 14.722 -0.984 1.00 0.33 C ATOM 1491 CG ASN A 103 -6.255 15.307 -2.378 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -5.746 16.415 -2.550 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -6.708 14.572 -3.380 1.00 0.93 N ATOM 0 H ASN A 103 -6.874 14.571 1.505 1.00 0.27 H new ATOM 0 HA ASN A 103 -8.081 16.033 -0.731 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.576 15.083 -0.359 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -6.299 13.637 -1.037 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -6.642 14.918 -4.337 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -7.123 13.659 -3.196 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.714 12.934 0.173 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.599 11.791 0.014 1.00 0.22 C ATOM 1502 C TYR A 104 -9.943 11.246 1.375 1.00 0.21 C ATOM 1503 O TYR A 104 -9.061 10.911 2.144 1.00 0.20 O ATOM 1504 CB TYR A 104 -8.951 10.657 -0.790 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.615 10.989 -1.412 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.471 11.130 -0.631 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.494 11.139 -2.782 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.251 11.419 -1.202 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.279 11.423 -3.368 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.156 11.565 -2.571 1.00 0.22 C ATOM 1511 OH TYR A 104 -3.937 11.860 -3.138 1.00 0.30 O ATOM 0 H TYR A 104 -8.060 12.844 0.951 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.482 12.138 -0.524 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.824 9.795 -0.134 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.637 10.357 -1.582 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.541 11.011 0.440 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.369 11.031 -3.405 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.374 11.531 -0.582 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.204 11.534 -4.440 1.00 0.27 H new ATOM 0 HH TYR A 104 -4.020 11.851 -4.114 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.214 11.186 1.666 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.710 10.590 2.879 1.00 0.31 C ATOM 1523 C CYS A 105 -13.179 10.304 2.661 1.00 0.45 C ATOM 1524 O CYS A 105 -13.738 10.778 1.674 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.431 11.508 4.074 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.472 11.238 5.531 1.00 0.38 S ATOM 0 H CYS A 105 -11.946 11.555 1.059 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.204 9.653 3.114 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.388 11.385 4.367 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.552 12.542 3.750 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.110 10.140 6.125 1.00 0.38 H new