USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 7 CYS SG : rot 165:sc= -1.09 USER MOD Set 1.2: A 24 CYS SG : rot 180:sc= 0.359 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0134) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.813 (180deg=-1.42!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.682 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00142 USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.0416 (180deg=-0.354) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0685 X(o=-0.068,f=-0.23) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc=0.000853 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -5.61! K(o=-5.6!,f=-0.84) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= -0.284 (180deg=-1.39!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=-0.15) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 66 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.293 -12.799 6.076 1.00 0.00 N ATOM 2 CA MET A 1 -8.041 -12.188 5.557 1.00 0.00 C ATOM 3 C MET A 1 -8.006 -10.688 5.831 1.00 0.00 C ATOM 4 O MET A 1 -8.922 -10.138 6.441 1.00 0.00 O ATOM 5 CB MET A 1 -7.958 -12.452 4.052 1.00 0.00 C ATOM 6 CG MET A 1 -9.215 -12.060 3.293 1.00 0.00 C ATOM 7 SD MET A 1 -9.823 -13.378 2.225 1.00 0.00 S ATOM 8 CE MET A 1 -10.910 -14.251 3.349 1.00 0.00 C ATOM 0 H1 MET A 1 -9.414 -13.746 5.664 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.238 -12.876 7.112 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.104 -12.203 5.816 1.00 0.00 H new ATOM 0 HA MET A 1 -7.186 -12.635 6.065 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.110 -11.903 3.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.761 -13.511 3.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.994 -11.787 4.005 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.009 -11.175 2.690 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.418 -15.054 2.814 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.325 -14.673 4.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.650 -13.559 3.751 1.00 0.00 H new ATOM 20 N TYR A 2 -6.943 -10.032 5.375 1.00 0.00 N ATOM 21 CA TYR A 2 -6.790 -8.595 5.570 1.00 0.00 C ATOM 22 C TYR A 2 -6.461 -7.897 4.253 1.00 0.00 C ATOM 23 O TYR A 2 -6.015 -8.528 3.294 1.00 0.00 O ATOM 24 CB TYR A 2 -5.692 -8.309 6.603 1.00 0.00 C ATOM 25 CG TYR A 2 -6.202 -7.953 7.989 1.00 0.00 C ATOM 26 CD1 TYR A 2 -7.561 -7.784 8.243 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.315 -7.782 9.045 1.00 0.00 C ATOM 28 CE1 TYR A 2 -8.016 -7.456 9.507 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.764 -7.456 10.311 1.00 0.00 C ATOM 30 CZ TYR A 2 -7.114 -7.294 10.536 1.00 0.00 C ATOM 31 OH TYR A 2 -7.563 -6.968 11.795 1.00 0.00 O ATOM 0 H TYR A 2 -6.175 -10.473 4.868 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.737 -8.203 5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.049 -9.185 6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.072 -7.490 6.237 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -8.271 -7.911 7.439 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.256 -7.906 8.873 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.073 -7.327 9.687 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.060 -7.329 11.120 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.800 -6.892 12.405 1.00 0.00 H new ATOM 41 N ILE A 3 -6.689 -6.588 4.218 1.00 0.00 N ATOM 42 CA ILE A 3 -6.435 -5.787 3.028 1.00 0.00 C ATOM 43 C ILE A 3 -5.568 -4.579 3.367 1.00 0.00 C ATOM 44 O ILE A 3 -5.486 -4.172 4.525 1.00 0.00 O ATOM 45 CB ILE A 3 -7.751 -5.278 2.407 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.585 -4.549 3.461 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.547 -6.423 1.802 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.531 -3.523 2.880 1.00 0.00 C ATOM 0 H ILE A 3 -7.053 -6.056 5.009 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.919 -6.429 2.314 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.503 -4.580 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.160 -5.281 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.915 -4.056 4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.470 -6.036 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.957 -6.905 1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.786 -7.150 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.090 -3.046 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.961 -2.769 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.225 -4.013 2.198 1.00 0.00 H new ATOM 60 N ILE A 4 -4.952 -3.988 2.349 1.00 0.00 N ATOM 61 CA ILE A 4 -4.126 -2.804 2.546 1.00 0.00 C ATOM 62 C ILE A 4 -4.574 -1.686 1.600 1.00 0.00 C ATOM 63 O ILE A 4 -5.101 -1.950 0.520 1.00 0.00 O ATOM 64 CB ILE A 4 -2.625 -3.133 2.346 1.00 0.00 C ATOM 65 CG1 ILE A 4 -2.042 -3.708 3.640 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.830 -1.908 1.918 1.00 0.00 C ATOM 67 CD1 ILE A 4 -2.045 -5.220 3.693 1.00 0.00 C ATOM 0 H ILE A 4 -5.009 -4.309 1.382 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.253 -2.461 3.573 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.550 -3.872 1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.018 -3.352 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.611 -3.323 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.783 -2.181 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.225 -1.529 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.912 -1.136 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.617 -5.552 4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.069 -5.585 3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.451 -5.614 2.868 1.00 0.00 H new ATOM 79 N PHE A 5 -4.406 -0.441 2.029 1.00 0.00 N ATOM 80 CA PHE A 5 -4.829 0.704 1.228 1.00 0.00 C ATOM 81 C PHE A 5 -3.836 1.855 1.355 1.00 0.00 C ATOM 82 O PHE A 5 -2.731 1.671 1.864 1.00 0.00 O ATOM 83 CB PHE A 5 -6.226 1.173 1.646 1.00 0.00 C ATOM 84 CG PHE A 5 -6.670 0.700 3.001 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.173 -0.580 3.177 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.628 1.553 4.090 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.593 -1.008 4.423 1.00 0.00 C ATOM 88 CE2 PHE A 5 -7.057 1.134 5.333 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.533 -0.149 5.502 1.00 0.00 C ATOM 0 H PHE A 5 -3.981 -0.198 2.924 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.862 0.386 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.247 2.263 1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.946 0.831 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.237 -1.250 2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.255 2.559 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.967 -2.013 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.020 1.811 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.858 -0.481 6.477 1.00 0.00 H new ATOM 99 N ARG A 6 -4.228 3.040 0.884 1.00 0.00 N ATOM 100 CA ARG A 6 -3.341 4.200 0.922 1.00 0.00 C ATOM 101 C ARG A 6 -4.087 5.474 1.307 1.00 0.00 C ATOM 102 O ARG A 6 -5.102 5.820 0.700 1.00 0.00 O ATOM 103 CB ARG A 6 -2.674 4.391 -0.442 1.00 0.00 C ATOM 104 CG ARG A 6 -1.290 3.771 -0.540 1.00 0.00 C ATOM 105 CD ARG A 6 -0.958 3.376 -1.970 1.00 0.00 C ATOM 106 NE ARG A 6 -0.933 4.529 -2.867 1.00 0.00 N ATOM 107 CZ ARG A 6 0.155 5.255 -3.105 1.00 0.00 C ATOM 108 NH1 ARG A 6 1.304 4.951 -2.516 1.00 0.00 N ATOM 109 NH2 ARG A 6 0.095 6.288 -3.935 1.00 0.00 N ATOM 0 H ARG A 6 -5.145 3.219 0.476 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.585 4.010 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.312 3.957 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.600 5.458 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.546 4.479 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.237 2.893 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.012 2.879 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.694 2.656 -2.327 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.799 4.792 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.355 4.157 -1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.136 5.511 -2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.786 6.525 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.930 6.845 -4.117 1.00 0.00 H new ATOM 123 N CYS A 7 -3.567 6.181 2.309 1.00 0.00 N ATOM 124 CA CYS A 7 -4.164 7.430 2.754 1.00 0.00 C ATOM 125 C CYS A 7 -3.812 8.557 1.794 1.00 0.00 C ATOM 126 O CYS A 7 -2.873 8.431 1.006 1.00 0.00 O ATOM 127 CB CYS A 7 -3.687 7.775 4.165 1.00 0.00 C ATOM 128 SG CYS A 7 -4.849 8.789 5.110 1.00 0.00 S ATOM 0 H CYS A 7 -2.732 5.906 2.826 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.247 7.308 2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.502 6.850 4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.735 8.301 4.097 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.524 8.763 6.368 1.00 0.00 H new ATOM 134 N ASP A 8 -4.519 9.680 1.908 1.00 0.00 N ATOM 135 CA ASP A 8 -4.291 10.817 1.020 1.00 0.00 C ATOM 136 C ASP A 8 -2.877 11.360 1.184 1.00 0.00 C ATOM 137 O ASP A 8 -2.279 11.861 0.230 1.00 0.00 O ATOM 138 CB ASP A 8 -5.311 11.924 1.300 1.00 0.00 C ATOM 139 CG ASP A 8 -5.099 12.579 2.651 1.00 0.00 C ATOM 140 OD1 ASP A 8 -5.030 11.849 3.662 1.00 0.00 O ATOM 141 OD2 ASP A 8 -5.004 13.824 2.698 1.00 0.00 O ATOM 0 H ASP A 8 -5.251 9.826 2.603 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.412 10.473 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.245 12.681 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.317 11.507 1.256 1.00 0.00 H new ATOM 146 N CYS A 9 -2.337 11.233 2.390 1.00 0.00 N ATOM 147 CA CYS A 9 -0.972 11.666 2.667 1.00 0.00 C ATOM 148 C CYS A 9 0.030 10.709 2.030 1.00 0.00 C ATOM 149 O CYS A 9 1.238 10.828 2.234 1.00 0.00 O ATOM 150 CB CYS A 9 -0.736 11.726 4.174 1.00 0.00 C ATOM 151 SG CYS A 9 -1.727 12.972 5.032 1.00 0.00 S ATOM 0 H CYS A 9 -2.823 10.833 3.193 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.833 12.660 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.952 10.748 4.603 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.319 11.928 4.357 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.456 12.942 6.303 1.00 0.00 H new ATOM 157 N GLY A 10 -0.489 9.744 1.277 1.00 0.00 N ATOM 158 CA GLY A 10 0.355 8.741 0.661 1.00 0.00 C ATOM 159 C GLY A 10 0.687 7.630 1.635 1.00 0.00 C ATOM 160 O GLY A 10 1.647 6.885 1.440 1.00 0.00 O ATOM 0 H GLY A 10 -1.485 9.640 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.148 8.325 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.276 9.205 0.307 1.00 0.00 H new ATOM 164 N ARG A 11 -0.078 7.571 2.721 1.00 0.00 N ATOM 165 CA ARG A 11 0.131 6.563 3.757 1.00 0.00 C ATOM 166 C ARG A 11 -0.483 5.225 3.362 1.00 0.00 C ATOM 167 O ARG A 11 -0.828 5.007 2.203 1.00 0.00 O ATOM 168 CB ARG A 11 -0.463 7.036 5.086 1.00 0.00 C ATOM 169 CG ARG A 11 -0.119 8.476 5.430 1.00 0.00 C ATOM 170 CD ARG A 11 -0.307 8.756 6.912 1.00 0.00 C ATOM 171 NE ARG A 11 0.967 8.938 7.601 1.00 0.00 N ATOM 172 CZ ARG A 11 1.434 10.121 7.987 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.736 11.224 7.749 1.00 0.00 N ATOM 174 NH2 ARG A 11 2.603 10.203 8.609 1.00 0.00 N ATOM 0 H ARG A 11 -0.850 8.211 2.907 1.00 0.00 H new ATOM 0 HA ARG A 11 1.206 6.423 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.547 6.930 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.107 6.386 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.914 8.682 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.748 9.150 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.918 9.650 7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.852 7.931 7.370 1.00 0.00 H new ATOM 0 HE ARG A 11 1.531 8.111 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.162 11.166 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.097 12.130 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.144 9.358 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.961 11.111 8.905 1.00 0.00 H new ATOM 188 N ALA A 12 -0.603 4.329 4.339 1.00 0.00 N ATOM 189 CA ALA A 12 -1.187 3.012 4.109 1.00 0.00 C ATOM 190 C ALA A 12 -1.687 2.404 5.417 1.00 0.00 C ATOM 191 O ALA A 12 -1.147 2.690 6.486 1.00 0.00 O ATOM 192 CB ALA A 12 -0.171 2.092 3.453 1.00 0.00 C ATOM 0 H ALA A 12 -0.302 4.493 5.300 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.039 3.128 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.620 1.113 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.139 2.515 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.698 1.987 4.103 1.00 0.00 H new ATOM 198 N LEU A 13 -2.715 1.562 5.333 1.00 0.00 N ATOM 199 CA LEU A 13 -3.259 0.911 6.525 1.00 0.00 C ATOM 200 C LEU A 13 -3.722 -0.514 6.226 1.00 0.00 C ATOM 201 O LEU A 13 -3.482 -1.043 5.142 1.00 0.00 O ATOM 202 CB LEU A 13 -4.417 1.727 7.101 1.00 0.00 C ATOM 203 CG LEU A 13 -4.022 2.755 8.164 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.897 3.994 8.056 1.00 0.00 C ATOM 205 CD2 LEU A 13 -4.120 2.147 9.555 1.00 0.00 C ATOM 0 H LEU A 13 -3.185 1.316 4.462 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.458 0.858 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.917 2.247 6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.144 1.041 7.534 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.987 3.051 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.603 4.715 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.775 4.440 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.941 3.716 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.836 2.892 10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.144 1.823 9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.450 1.290 9.625 1.00 0.00 H new ATOM 217 N TYR A 14 -4.380 -1.130 7.208 1.00 0.00 N ATOM 218 CA TYR A 14 -4.870 -2.500 7.072 1.00 0.00 C ATOM 219 C TYR A 14 -6.262 -2.650 7.686 1.00 0.00 C ATOM 220 O TYR A 14 -6.547 -2.090 8.745 1.00 0.00 O ATOM 221 CB TYR A 14 -3.901 -3.474 7.745 1.00 0.00 C ATOM 222 CG TYR A 14 -3.590 -3.125 9.184 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.590 -2.211 9.497 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.292 -3.713 10.229 1.00 0.00 C ATOM 225 CE1 TYR A 14 -2.303 -1.890 10.809 1.00 0.00 C ATOM 226 CE2 TYR A 14 -4.010 -3.396 11.545 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.014 -2.486 11.829 1.00 0.00 C ATOM 228 OH TYR A 14 -2.730 -2.168 13.137 1.00 0.00 O ATOM 0 H TYR A 14 -4.586 -0.699 8.109 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.936 -2.731 6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.324 -4.478 7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.971 -3.498 7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.029 -1.745 8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.070 -4.429 10.010 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.525 -1.176 11.035 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.567 -3.859 12.346 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.321 -2.674 13.732 1.00 0.00 H new ATOM 238 N SER A 15 -7.124 -3.411 7.014 1.00 0.00 N ATOM 239 CA SER A 15 -8.482 -3.650 7.499 1.00 0.00 C ATOM 240 C SER A 15 -9.034 -4.953 6.929 1.00 0.00 C ATOM 241 O SER A 15 -8.328 -5.680 6.234 1.00 0.00 O ATOM 242 CB SER A 15 -9.398 -2.485 7.117 1.00 0.00 C ATOM 243 OG SER A 15 -10.656 -2.590 7.763 1.00 0.00 O ATOM 0 H SER A 15 -6.906 -3.873 6.131 1.00 0.00 H new ATOM 0 HA SER A 15 -8.446 -3.730 8.585 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.924 -1.542 7.389 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.541 -2.470 6.037 1.00 0.00 H new ATOM 0 HG SER A 15 -11.221 -1.833 7.503 1.00 0.00 H new ATOM 249 N ARG A 16 -10.295 -5.250 7.227 1.00 0.00 N ATOM 250 CA ARG A 16 -10.925 -6.467 6.729 1.00 0.00 C ATOM 251 C ARG A 16 -11.281 -6.336 5.252 1.00 0.00 C ATOM 252 O ARG A 16 -11.523 -5.235 4.757 1.00 0.00 O ATOM 253 CB ARG A 16 -12.179 -6.796 7.537 1.00 0.00 C ATOM 254 CG ARG A 16 -13.323 -5.826 7.307 1.00 0.00 C ATOM 255 CD ARG A 16 -13.844 -5.271 8.619 1.00 0.00 C ATOM 256 NE ARG A 16 -15.059 -4.483 8.435 1.00 0.00 N ATOM 257 CZ ARG A 16 -16.287 -4.986 8.524 1.00 0.00 C ATOM 258 NH1 ARG A 16 -16.463 -6.274 8.792 1.00 0.00 N ATOM 259 NH2 ARG A 16 -17.341 -4.202 8.344 1.00 0.00 N ATOM 0 H ARG A 16 -10.898 -4.668 7.808 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.208 -7.280 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.511 -7.803 7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.926 -6.802 8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.987 -5.007 6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.130 -6.331 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.045 -6.093 9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.076 -4.651 9.081 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.961 -3.489 8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.655 -6.881 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.406 -6.657 8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.211 -3.212 8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.282 -4.589 8.413 1.00 0.00 H new ATOM 273 N GLU A 17 -11.299 -7.466 4.554 1.00 0.00 N ATOM 274 CA GLU A 17 -11.636 -7.488 3.134 1.00 0.00 C ATOM 275 C GLU A 17 -13.012 -6.878 2.886 1.00 0.00 C ATOM 276 O GLU A 17 -14.035 -7.482 3.210 1.00 0.00 O ATOM 277 CB GLU A 17 -11.599 -8.925 2.603 1.00 0.00 C ATOM 278 CG GLU A 17 -12.005 -9.048 1.144 1.00 0.00 C ATOM 279 CD GLU A 17 -13.032 -10.141 0.914 1.00 0.00 C ATOM 280 OE1 GLU A 17 -13.941 -10.286 1.757 1.00 0.00 O ATOM 281 OE2 GLU A 17 -12.925 -10.850 -0.107 1.00 0.00 O ATOM 0 H GLU A 17 -11.084 -8.381 4.949 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.895 -6.890 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.591 -9.322 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.261 -9.544 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.411 -8.096 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.121 -9.253 0.541 1.00 0.00 H new ATOM 288 N GLY A 18 -13.033 -5.683 2.302 1.00 0.00 N ATOM 289 CA GLY A 18 -14.295 -5.025 2.012 1.00 0.00 C ATOM 290 C GLY A 18 -14.259 -3.534 2.291 1.00 0.00 C ATOM 291 O GLY A 18 -15.212 -2.818 1.983 1.00 0.00 O ATOM 0 H GLY A 18 -12.202 -5.160 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.552 -5.188 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.084 -5.483 2.609 1.00 0.00 H new ATOM 295 N ALA A 19 -13.163 -3.066 2.878 1.00 0.00 N ATOM 296 CA ALA A 19 -13.016 -1.650 3.196 1.00 0.00 C ATOM 297 C ALA A 19 -12.769 -0.827 1.936 1.00 0.00 C ATOM 298 O ALA A 19 -11.758 -1.002 1.258 1.00 0.00 O ATOM 299 CB ALA A 19 -11.887 -1.446 4.194 1.00 0.00 C ATOM 0 H ALA A 19 -12.365 -3.644 3.143 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.947 -1.306 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.790 -0.384 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.107 -1.994 5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.953 -1.813 3.767 1.00 0.00 H new ATOM 305 N LYS A 20 -13.703 0.070 1.629 1.00 0.00 N ATOM 306 CA LYS A 20 -13.590 0.924 0.451 1.00 0.00 C ATOM 307 C LYS A 20 -12.827 2.205 0.779 1.00 0.00 C ATOM 308 O LYS A 20 -11.970 2.643 0.013 1.00 0.00 O ATOM 309 CB LYS A 20 -14.978 1.269 -0.092 1.00 0.00 C ATOM 310 CG LYS A 20 -16.014 0.187 0.161 1.00 0.00 C ATOM 311 CD LYS A 20 -15.784 -1.025 -0.726 1.00 0.00 C ATOM 312 CE LYS A 20 -16.993 -1.947 -0.738 1.00 0.00 C ATOM 313 NZ LYS A 20 -18.172 -1.310 -1.390 1.00 0.00 N ATOM 0 H LYS A 20 -14.547 0.224 2.181 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.036 0.376 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.317 2.199 0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.906 1.448 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.977 -0.115 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.011 0.588 -0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.566 -0.697 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.911 -1.574 -0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.742 -2.868 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.249 -2.223 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.846 -2.046 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.634 -0.665 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.860 -0.774 -2.224 1.00 0.00 H new ATOM 327 N THR A 21 -13.165 2.812 1.912 1.00 0.00 N ATOM 328 CA THR A 21 -12.508 4.038 2.352 1.00 0.00 C ATOM 329 C THR A 21 -12.453 4.094 3.874 1.00 0.00 C ATOM 330 O THR A 21 -13.489 4.080 4.538 1.00 0.00 O ATOM 331 CB THR A 21 -13.250 5.262 1.810 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.647 5.026 1.781 1.00 0.00 O ATOM 333 CG2 THR A 21 -12.821 5.655 0.414 1.00 0.00 C ATOM 0 H THR A 21 -13.891 2.474 2.543 1.00 0.00 H new ATOM 0 HA THR A 21 -11.490 4.042 1.964 1.00 0.00 H new ATOM 0 HB THR A 21 -12.999 6.077 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.106 5.819 1.434 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.387 6.529 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.757 5.891 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.010 4.828 -0.271 1.00 0.00 H new ATOM 341 N ARG A 22 -11.244 4.120 4.431 1.00 0.00 N ATOM 342 CA ARG A 22 -11.085 4.177 5.877 1.00 0.00 C ATOM 343 C ARG A 22 -10.927 5.623 6.341 1.00 0.00 C ATOM 344 O ARG A 22 -11.407 6.545 5.681 1.00 0.00 O ATOM 345 CB ARG A 22 -9.890 3.329 6.319 1.00 0.00 C ATOM 346 CG ARG A 22 -10.269 2.172 7.227 1.00 0.00 C ATOM 347 CD ARG A 22 -9.920 2.465 8.676 1.00 0.00 C ATOM 348 NE ARG A 22 -9.630 1.248 9.427 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.241 1.243 10.699 1.00 0.00 C ATOM 350 NH1 ARG A 22 -9.096 2.386 11.355 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.995 0.094 11.313 1.00 0.00 N ATOM 0 H ARG A 22 -10.369 4.103 3.906 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.982 3.767 6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.387 2.937 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.174 3.967 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.338 1.976 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.752 1.269 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.056 3.128 8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.748 2.993 9.148 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.731 0.352 8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.283 3.271 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.798 2.380 12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.104 -0.787 10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.697 0.091 12.288 1.00 0.00 H new ATOM 365 N LYS A 23 -10.260 5.822 7.475 1.00 0.00 N ATOM 366 CA LYS A 23 -10.064 7.164 8.011 1.00 0.00 C ATOM 367 C LYS A 23 -8.770 7.259 8.810 1.00 0.00 C ATOM 368 O LYS A 23 -8.327 6.284 9.418 1.00 0.00 O ATOM 369 CB LYS A 23 -11.249 7.556 8.896 1.00 0.00 C ATOM 370 CG LYS A 23 -11.219 9.008 9.348 1.00 0.00 C ATOM 371 CD LYS A 23 -12.528 9.715 9.039 1.00 0.00 C ATOM 372 CE LYS A 23 -12.422 11.212 9.283 1.00 0.00 C ATOM 373 NZ LYS A 23 -13.665 11.766 9.890 1.00 0.00 N ATOM 0 H LYS A 23 -9.849 5.076 8.036 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.996 7.853 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.175 7.373 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.264 6.911 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.024 9.053 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.398 9.527 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.805 9.533 8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.323 9.299 9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.576 11.414 9.940 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.221 11.720 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.552 12.789 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.468 11.597 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.843 11.300 10.802 1.00 0.00 H new ATOM 387 N CYS A 24 -8.174 8.446 8.805 1.00 0.00 N ATOM 388 CA CYS A 24 -6.945 8.692 9.544 1.00 0.00 C ATOM 389 C CYS A 24 -7.248 9.415 10.850 1.00 0.00 C ATOM 390 O CYS A 24 -7.880 10.472 10.853 1.00 0.00 O ATOM 391 CB CYS A 24 -5.973 9.519 8.701 1.00 0.00 C ATOM 392 SG CYS A 24 -4.250 8.984 8.821 1.00 0.00 S ATOM 0 H CYS A 24 -8.526 9.256 8.294 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.482 7.732 9.773 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.284 9.473 7.657 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.040 10.563 9.008 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.507 9.743 8.071 1.00 0.00 H new ATOM 398 N VAL A 25 -6.809 8.833 11.958 1.00 0.00 N ATOM 399 CA VAL A 25 -7.048 9.416 13.271 1.00 0.00 C ATOM 400 C VAL A 25 -6.268 10.713 13.440 1.00 0.00 C ATOM 401 O VAL A 25 -6.590 11.537 14.295 1.00 0.00 O ATOM 402 CB VAL A 25 -6.667 8.438 14.396 1.00 0.00 C ATOM 403 CG1 VAL A 25 -7.410 8.780 15.679 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.952 7.005 13.970 1.00 0.00 C ATOM 0 H VAL A 25 -6.286 7.958 11.974 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.115 9.629 13.340 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.599 8.532 14.590 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.127 8.077 16.462 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.152 9.792 15.990 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.484 8.716 15.505 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.677 6.324 14.776 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.014 6.896 13.748 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.369 6.767 13.080 1.00 0.00 H new ATOM 414 N CYS A 26 -5.251 10.893 12.604 1.00 0.00 N ATOM 415 CA CYS A 26 -4.440 12.102 12.639 1.00 0.00 C ATOM 416 C CYS A 26 -5.252 13.302 12.162 1.00 0.00 C ATOM 417 O CYS A 26 -4.932 14.448 12.479 1.00 0.00 O ATOM 418 CB CYS A 26 -3.194 11.933 11.766 1.00 0.00 C ATOM 419 SG CYS A 26 -1.820 13.016 12.223 1.00 0.00 S ATOM 0 H CYS A 26 -4.970 10.216 11.894 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.128 12.277 13.669 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.861 10.897 11.824 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.463 12.124 10.727 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.813 12.798 11.430 1.00 0.00 H new ATOM 425 N GLY A 27 -6.310 13.025 11.403 1.00 0.00 N ATOM 426 CA GLY A 27 -7.161 14.087 10.895 1.00 0.00 C ATOM 427 C GLY A 27 -7.261 14.078 9.382 1.00 0.00 C ATOM 428 O GLY A 27 -6.884 15.051 8.727 1.00 0.00 O ATOM 0 H GLY A 27 -6.593 12.083 11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.158 13.985 11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.770 15.050 11.224 1.00 0.00 H new ATOM 432 N ARG A 28 -7.789 12.987 8.828 1.00 0.00 N ATOM 433 CA ARG A 28 -7.931 12.848 7.382 1.00 0.00 C ATOM 434 C ARG A 28 -8.713 11.588 7.022 1.00 0.00 C ATOM 435 O ARG A 28 -9.373 10.991 7.871 1.00 0.00 O ATOM 436 CB ARG A 28 -6.554 12.799 6.719 1.00 0.00 C ATOM 437 CG ARG A 28 -6.179 14.092 6.020 1.00 0.00 C ATOM 438 CD ARG A 28 -4.690 14.373 6.127 1.00 0.00 C ATOM 439 NE ARG A 28 -4.416 15.785 6.380 1.00 0.00 N ATOM 440 CZ ARG A 28 -3.462 16.218 7.199 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.691 15.350 7.842 1.00 0.00 N ATOM 442 NH2 ARG A 28 -3.278 17.518 7.376 1.00 0.00 N ATOM 0 H ARG A 28 -8.126 12.186 9.362 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.483 13.714 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.802 12.571 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.535 11.984 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.465 14.035 4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.738 14.919 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.265 13.772 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.196 14.068 5.204 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.990 16.479 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.830 14.348 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.960 15.685 8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.869 18.188 6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.546 17.849 8.005 1.00 0.00 H new ATOM 456 N THR A 29 -8.631 11.191 5.753 1.00 0.00 N ATOM 457 CA THR A 29 -9.319 9.999 5.271 1.00 0.00 C ATOM 458 C THR A 29 -8.440 9.231 4.287 1.00 0.00 C ATOM 459 O THR A 29 -7.725 9.827 3.480 1.00 0.00 O ATOM 460 CB THR A 29 -10.643 10.381 4.603 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.468 11.095 5.506 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.431 9.191 4.102 1.00 0.00 C ATOM 0 H THR A 29 -8.092 11.681 5.039 1.00 0.00 H new ATOM 0 HA THR A 29 -9.528 9.356 6.126 1.00 0.00 H new ATOM 0 HB THR A 29 -10.367 10.995 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.309 11.333 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.357 9.536 3.641 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.839 8.647 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.666 8.532 4.938 1.00 0.00 H new ATOM 470 N VAL A 30 -8.480 7.906 4.376 1.00 0.00 N ATOM 471 CA VAL A 30 -7.676 7.056 3.504 1.00 0.00 C ATOM 472 C VAL A 30 -8.542 6.327 2.481 1.00 0.00 C ATOM 473 O VAL A 30 -9.505 5.647 2.834 1.00 0.00 O ATOM 474 CB VAL A 30 -6.872 6.023 4.314 1.00 0.00 C ATOM 475 CG1 VAL A 30 -7.698 5.499 5.467 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.395 4.883 3.428 1.00 0.00 C ATOM 0 H VAL A 30 -9.060 7.397 5.043 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.984 7.713 2.978 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.990 6.520 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.116 4.770 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.975 6.326 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.600 5.024 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.830 4.169 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.256 4.383 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.757 5.279 2.638 1.00 0.00 H new ATOM 486 N ASN A 31 -8.192 6.489 1.213 1.00 0.00 N ATOM 487 CA ASN A 31 -8.901 5.825 0.127 1.00 0.00 C ATOM 488 C ASN A 31 -8.135 4.591 -0.344 1.00 0.00 C ATOM 489 O ASN A 31 -6.955 4.676 -0.686 1.00 0.00 O ATOM 490 CB ASN A 31 -9.107 6.789 -1.043 1.00 0.00 C ATOM 491 CG ASN A 31 -10.297 6.410 -1.902 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.331 5.330 -2.493 1.00 0.00 O ATOM 493 ND2 ASN A 31 -11.282 7.297 -1.973 1.00 0.00 N ATOM 0 H ASN A 31 -7.417 7.078 0.909 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.875 5.508 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.248 7.799 -0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.208 6.805 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.110 7.096 -2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.211 8.179 -1.466 1.00 0.00 H new ATOM 500 N VAL A 32 -8.799 3.440 -0.339 1.00 0.00 N ATOM 501 CA VAL A 32 -8.166 2.206 -0.789 1.00 0.00 C ATOM 502 C VAL A 32 -7.834 2.276 -2.278 1.00 0.00 C ATOM 503 O VAL A 32 -7.917 3.341 -2.891 1.00 0.00 O ATOM 504 CB VAL A 32 -9.034 0.963 -0.489 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.591 1.036 0.927 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.157 0.806 -1.503 1.00 0.00 C ATOM 0 H VAL A 32 -9.766 3.336 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.238 2.101 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.397 0.083 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.200 0.154 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.768 1.075 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.204 1.931 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.746 -0.078 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.798 1.687 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.733 0.696 -2.501 1.00 0.00 H new ATOM 516 N LYS A 33 -7.447 1.142 -2.853 1.00 0.00 N ATOM 517 CA LYS A 33 -7.096 1.084 -4.269 1.00 0.00 C ATOM 518 C LYS A 33 -8.252 1.566 -5.142 1.00 0.00 C ATOM 519 O LYS A 33 -9.323 1.909 -4.638 1.00 0.00 O ATOM 520 CB LYS A 33 -6.711 -0.344 -4.661 1.00 0.00 C ATOM 521 CG LYS A 33 -5.348 -0.448 -5.325 1.00 0.00 C ATOM 522 CD LYS A 33 -5.464 -0.929 -6.762 1.00 0.00 C ATOM 523 CE LYS A 33 -4.847 0.064 -7.734 1.00 0.00 C ATOM 524 NZ LYS A 33 -3.688 -0.518 -8.464 1.00 0.00 N ATOM 0 H LYS A 33 -7.368 0.252 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.244 1.744 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.720 -0.971 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.467 -0.742 -5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.857 0.525 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.718 -1.135 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.970 -1.895 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.514 -1.080 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.602 0.387 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.524 0.951 -7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.297 0.191 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.956 -0.803 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.000 -1.350 -9.004 1.00 0.00 H new ATOM 538 N ASP A 34 -8.038 1.567 -6.452 1.00 0.00 N ATOM 539 CA ASP A 34 -9.069 1.997 -7.389 1.00 0.00 C ATOM 540 C ASP A 34 -9.940 0.815 -7.790 1.00 0.00 C ATOM 541 O ASP A 34 -11.166 0.919 -7.830 1.00 0.00 O ATOM 542 CB ASP A 34 -8.434 2.627 -8.631 1.00 0.00 C ATOM 543 CG ASP A 34 -8.713 4.113 -8.733 1.00 0.00 C ATOM 544 OD1 ASP A 34 -9.844 4.480 -9.117 1.00 0.00 O ATOM 545 OD2 ASP A 34 -7.801 4.911 -8.430 1.00 0.00 O ATOM 0 H ASP A 34 -7.163 1.276 -6.889 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.692 2.745 -6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.357 2.463 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.813 2.127 -9.522 1.00 0.00 H new ATOM 550 N ARG A 35 -9.299 -0.317 -8.054 1.00 0.00 N ATOM 551 CA ARG A 35 -10.016 -1.535 -8.399 1.00 0.00 C ATOM 552 C ARG A 35 -10.443 -2.269 -7.127 1.00 0.00 C ATOM 553 O ARG A 35 -11.313 -1.797 -6.396 1.00 0.00 O ATOM 554 CB ARG A 35 -9.146 -2.435 -9.281 1.00 0.00 C ATOM 555 CG ARG A 35 -9.937 -3.476 -10.057 1.00 0.00 C ATOM 556 CD ARG A 35 -9.024 -4.513 -10.690 1.00 0.00 C ATOM 557 NE ARG A 35 -9.597 -5.079 -11.909 1.00 0.00 N ATOM 558 CZ ARG A 35 -9.583 -6.377 -12.195 1.00 0.00 C ATOM 559 NH1 ARG A 35 -9.029 -7.241 -11.354 1.00 0.00 N ATOM 560 NH2 ARG A 35 -10.126 -6.814 -13.323 1.00 0.00 N ATOM 0 H ARG A 35 -8.284 -0.415 -8.035 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.911 -1.271 -8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.592 -1.814 -9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.411 -2.942 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.642 -3.970 -9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.524 -2.984 -10.833 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.062 -4.056 -10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.833 -5.313 -9.974 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.032 -4.443 -12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.612 -6.910 -10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.020 -8.236 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.555 -6.154 -13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.115 -7.810 -13.542 1.00 0.00 H new ATOM 574 N ARG A 36 -9.826 -3.418 -6.860 1.00 0.00 N ATOM 575 CA ARG A 36 -10.134 -4.187 -5.661 1.00 0.00 C ATOM 576 C ARG A 36 -9.480 -3.565 -4.427 1.00 0.00 C ATOM 577 O ARG A 36 -10.051 -2.679 -3.790 1.00 0.00 O ATOM 578 CB ARG A 36 -9.677 -5.638 -5.829 1.00 0.00 C ATOM 579 CG ARG A 36 -10.214 -6.302 -7.087 1.00 0.00 C ATOM 580 CD ARG A 36 -11.481 -7.091 -6.805 1.00 0.00 C ATOM 581 NE ARG A 36 -12.643 -6.521 -7.480 1.00 0.00 N ATOM 582 CZ ARG A 36 -13.631 -5.894 -6.846 1.00 0.00 C ATOM 583 NH1 ARG A 36 -13.598 -5.759 -5.527 1.00 0.00 N ATOM 584 NH2 ARG A 36 -14.654 -5.404 -7.533 1.00 0.00 N ATOM 0 H ARG A 36 -9.112 -3.835 -7.457 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.214 -4.171 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.588 -5.667 -5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.995 -6.214 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.418 -5.542 -7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.455 -6.966 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.345 -8.123 -7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.662 -7.114 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.701 -6.608 -8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.814 -6.136 -4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.357 -5.278 -5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.684 -5.508 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.411 -4.923 -7.047 1.00 0.00 H new ATOM 598 N ILE A 37 -8.283 -4.044 -4.091 1.00 0.00 N ATOM 599 CA ILE A 37 -7.552 -3.550 -2.928 1.00 0.00 C ATOM 600 C ILE A 37 -6.051 -3.778 -3.097 1.00 0.00 C ATOM 601 O ILE A 37 -5.629 -4.703 -3.790 1.00 0.00 O ATOM 602 CB ILE A 37 -8.050 -4.238 -1.632 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.940 -3.278 -0.831 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.888 -4.741 -0.779 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.173 -2.269 -0.001 1.00 0.00 C ATOM 0 H ILE A 37 -7.799 -4.776 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.736 -2.479 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.641 -5.108 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.592 -2.743 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.583 -3.861 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.277 -5.217 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.304 -5.464 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.252 -3.901 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.875 -1.629 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.541 -2.793 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.551 -1.658 -0.655 1.00 0.00 H new ATOM 617 N PHE A 38 -5.253 -2.941 -2.443 1.00 0.00 N ATOM 618 CA PHE A 38 -3.803 -3.075 -2.493 1.00 0.00 C ATOM 619 C PHE A 38 -3.313 -3.927 -1.328 1.00 0.00 C ATOM 620 O PHE A 38 -3.924 -3.945 -0.263 1.00 0.00 O ATOM 621 CB PHE A 38 -3.139 -1.697 -2.448 1.00 0.00 C ATOM 622 CG PHE A 38 -1.870 -1.614 -3.250 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.712 -2.233 -2.809 1.00 0.00 C ATOM 624 CD2 PHE A 38 -1.836 -0.913 -4.445 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.455 -2.157 -3.544 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.672 -0.833 -5.185 1.00 0.00 C ATOM 627 CZ PHE A 38 0.476 -1.456 -4.733 1.00 0.00 C ATOM 0 H PHE A 38 -5.586 -2.164 -1.873 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.532 -3.565 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.843 -0.952 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.921 -1.442 -1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.722 -2.782 -1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.730 -0.423 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.350 -2.646 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.659 -0.284 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.388 -1.394 -5.309 1.00 0.00 H new ATOM 637 N GLY A 39 -2.221 -4.650 -1.547 1.00 0.00 N ATOM 638 CA GLY A 39 -1.662 -5.493 -0.507 1.00 0.00 C ATOM 639 C GLY A 39 -2.696 -6.384 0.156 1.00 0.00 C ATOM 640 O GLY A 39 -3.306 -6.000 1.153 1.00 0.00 O ATOM 0 H GLY A 39 -1.711 -4.667 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.876 -6.115 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.194 -4.864 0.250 1.00 0.00 H new ATOM 644 N ARG A 40 -2.891 -7.576 -0.393 1.00 0.00 N ATOM 645 CA ARG A 40 -3.831 -8.532 0.179 1.00 0.00 C ATOM 646 C ARG A 40 -3.108 -9.439 1.163 1.00 0.00 C ATOM 647 O ARG A 40 -2.565 -10.477 0.786 1.00 0.00 O ATOM 648 CB ARG A 40 -4.481 -9.367 -0.921 1.00 0.00 C ATOM 649 CG ARG A 40 -5.768 -10.048 -0.490 1.00 0.00 C ATOM 650 CD ARG A 40 -6.892 -9.045 -0.292 1.00 0.00 C ATOM 651 NE ARG A 40 -8.199 -9.692 -0.223 1.00 0.00 N ATOM 652 CZ ARG A 40 -9.006 -9.838 -1.270 1.00 0.00 C ATOM 653 NH1 ARG A 40 -8.643 -9.383 -2.462 1.00 0.00 N ATOM 654 NH2 ARG A 40 -10.179 -10.439 -1.126 1.00 0.00 N ATOM 0 H ARG A 40 -2.412 -7.904 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.613 -7.983 0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.689 -8.725 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.773 -10.126 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.062 -10.781 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.599 -10.593 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.718 -8.482 0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.886 -8.328 -1.113 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.511 -10.052 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.742 -8.919 -2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.265 -9.497 -3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.463 -10.790 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.797 -10.550 -1.930 1.00 0.00 H new ATOM 668 N ALA A 41 -3.065 -9.013 2.417 1.00 0.00 N ATOM 669 CA ALA A 41 -2.365 -9.756 3.453 1.00 0.00 C ATOM 670 C ALA A 41 -3.303 -10.680 4.216 1.00 0.00 C ATOM 671 O ALA A 41 -4.178 -10.224 4.948 1.00 0.00 O ATOM 672 CB ALA A 41 -1.679 -8.796 4.411 1.00 0.00 C ATOM 0 H ALA A 41 -3.508 -8.154 2.742 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.614 -10.378 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.158 -9.363 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.962 -8.185 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.425 -8.151 4.876 1.00 0.00 H new ATOM 678 N ASP A 42 -3.098 -11.981 4.059 1.00 0.00 N ATOM 679 CA ASP A 42 -3.901 -12.967 4.766 1.00 0.00 C ATOM 680 C ASP A 42 -3.356 -13.174 6.174 1.00 0.00 C ATOM 681 O ASP A 42 -4.106 -13.447 7.112 1.00 0.00 O ATOM 682 CB ASP A 42 -3.910 -14.295 4.005 1.00 0.00 C ATOM 683 CG ASP A 42 -4.830 -15.318 4.639 1.00 0.00 C ATOM 684 OD1 ASP A 42 -5.979 -14.956 4.974 1.00 0.00 O ATOM 685 OD2 ASP A 42 -4.405 -16.481 4.801 1.00 0.00 O ATOM 0 H ASP A 42 -2.383 -12.377 3.449 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.924 -12.598 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.222 -14.119 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.897 -14.696 3.967 1.00 0.00 H new ATOM 690 N ASP A 43 -2.038 -13.054 6.306 1.00 0.00 N ATOM 691 CA ASP A 43 -1.375 -13.209 7.596 1.00 0.00 C ATOM 692 C ASP A 43 -1.350 -11.888 8.357 1.00 0.00 C ATOM 693 O ASP A 43 -0.957 -10.857 7.810 1.00 0.00 O ATOM 694 CB ASP A 43 0.053 -13.723 7.397 1.00 0.00 C ATOM 695 CG ASP A 43 0.567 -14.485 8.602 1.00 0.00 C ATOM 696 OD1 ASP A 43 0.494 -13.942 9.725 1.00 0.00 O ATOM 697 OD2 ASP A 43 1.047 -15.625 8.423 1.00 0.00 O ATOM 0 H ASP A 43 -1.406 -12.849 5.532 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.939 -13.934 8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.084 -14.371 6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.714 -12.881 7.194 1.00 0.00 H new ATOM 702 N PHE A 44 -1.774 -11.924 9.617 1.00 0.00 N ATOM 703 CA PHE A 44 -1.787 -10.728 10.452 1.00 0.00 C ATOM 704 C PHE A 44 -0.398 -10.102 10.527 1.00 0.00 C ATOM 705 O PHE A 44 -0.254 -8.880 10.491 1.00 0.00 O ATOM 706 CB PHE A 44 -2.284 -11.069 11.858 1.00 0.00 C ATOM 707 CG PHE A 44 -2.461 -9.868 12.742 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.604 -9.088 12.654 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.488 -9.522 13.666 1.00 0.00 C ATOM 710 CE1 PHE A 44 -3.769 -7.984 13.467 1.00 0.00 C ATOM 711 CE2 PHE A 44 -1.648 -8.419 14.483 1.00 0.00 C ATOM 712 CZ PHE A 44 -2.791 -7.648 14.383 1.00 0.00 C ATOM 0 H PHE A 44 -2.112 -12.767 10.081 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.466 -10.005 10.000 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.235 -11.595 11.780 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.578 -11.754 12.327 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.374 -9.347 11.942 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.594 -10.122 13.749 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.663 -7.383 13.387 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.881 -8.160 15.198 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.919 -6.785 15.020 1.00 0.00 H new ATOM 722 N GLU A 45 0.621 -10.949 10.639 1.00 0.00 N ATOM 723 CA GLU A 45 1.998 -10.482 10.706 1.00 0.00 C ATOM 724 C GLU A 45 2.409 -9.848 9.381 1.00 0.00 C ATOM 725 O GLU A 45 3.053 -8.798 9.357 1.00 0.00 O ATOM 726 CB GLU A 45 2.931 -11.647 11.050 1.00 0.00 C ATOM 727 CG GLU A 45 4.393 -11.371 10.746 1.00 0.00 C ATOM 728 CD GLU A 45 5.313 -11.738 11.896 1.00 0.00 C ATOM 729 OE1 GLU A 45 4.806 -11.948 13.019 1.00 0.00 O ATOM 730 OE2 GLU A 45 6.540 -11.813 11.673 1.00 0.00 O ATOM 0 H GLU A 45 0.517 -11.963 10.685 1.00 0.00 H new ATOM 0 HA GLU A 45 2.074 -9.727 11.489 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.828 -11.882 12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.614 -12.530 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.687 -11.932 9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.517 -10.314 10.511 1.00 0.00 H new ATOM 737 N GLU A 46 2.023 -10.490 8.284 1.00 0.00 N ATOM 738 CA GLU A 46 2.335 -9.985 6.952 1.00 0.00 C ATOM 739 C GLU A 46 1.555 -8.708 6.664 1.00 0.00 C ATOM 740 O GLU A 46 1.917 -7.936 5.778 1.00 0.00 O ATOM 741 CB GLU A 46 2.013 -11.044 5.897 1.00 0.00 C ATOM 742 CG GLU A 46 2.637 -10.760 4.540 1.00 0.00 C ATOM 743 CD GLU A 46 2.051 -11.619 3.436 1.00 0.00 C ATOM 744 OE1 GLU A 46 1.424 -12.652 3.754 1.00 0.00 O ATOM 745 OE2 GLU A 46 2.220 -11.260 2.252 1.00 0.00 O ATOM 0 H GLU A 46 1.493 -11.362 8.291 1.00 0.00 H new ATOM 0 HA GLU A 46 3.400 -9.757 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.360 -12.015 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.931 -11.114 5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.494 -9.708 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.712 -10.931 4.596 1.00 0.00 H new ATOM 752 N ALA A 47 0.474 -8.504 7.410 1.00 0.00 N ATOM 753 CA ALA A 47 -0.359 -7.319 7.247 1.00 0.00 C ATOM 754 C ALA A 47 0.446 -6.045 7.484 1.00 0.00 C ATOM 755 O ALA A 47 0.615 -5.229 6.577 1.00 0.00 O ATOM 756 CB ALA A 47 -1.552 -7.378 8.189 1.00 0.00 C ATOM 0 H ALA A 47 0.154 -9.146 8.135 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.724 -7.300 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.165 -6.487 8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.147 -8.264 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.200 -7.426 9.219 1.00 0.00 H new ATOM 762 N SER A 48 0.941 -5.883 8.708 1.00 0.00 N ATOM 763 CA SER A 48 1.727 -4.708 9.068 1.00 0.00 C ATOM 764 C SER A 48 2.966 -4.587 8.188 1.00 0.00 C ATOM 765 O SER A 48 3.418 -3.482 7.886 1.00 0.00 O ATOM 766 CB SER A 48 2.139 -4.775 10.540 1.00 0.00 C ATOM 767 OG SER A 48 1.039 -5.122 11.363 1.00 0.00 O ATOM 0 H SER A 48 0.811 -6.552 9.467 1.00 0.00 H new ATOM 0 HA SER A 48 1.105 -3.827 8.910 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.936 -5.508 10.665 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.541 -3.811 10.852 1.00 0.00 H new ATOM 0 HG SER A 48 1.329 -5.160 12.298 1.00 0.00 H new ATOM 773 N GLU A 49 3.508 -5.727 7.773 1.00 0.00 N ATOM 774 CA GLU A 49 4.690 -5.745 6.921 1.00 0.00 C ATOM 775 C GLU A 49 4.356 -5.231 5.525 1.00 0.00 C ATOM 776 O GLU A 49 5.165 -4.554 4.891 1.00 0.00 O ATOM 777 CB GLU A 49 5.262 -7.162 6.833 1.00 0.00 C ATOM 778 CG GLU A 49 6.707 -7.267 7.296 1.00 0.00 C ATOM 779 CD GLU A 49 7.616 -6.267 6.607 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.939 -6.480 5.419 1.00 0.00 O ATOM 781 OE2 GLU A 49 8.005 -5.272 7.254 1.00 0.00 O ATOM 0 H GLU A 49 3.147 -6.650 8.013 1.00 0.00 H new ATOM 0 HA GLU A 49 5.439 -5.088 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.647 -7.831 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.194 -7.509 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.751 -7.110 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.073 -8.276 7.106 1.00 0.00 H new ATOM 788 N LEU A 50 3.155 -5.556 5.057 1.00 0.00 N ATOM 789 CA LEU A 50 2.698 -5.116 3.745 1.00 0.00 C ATOM 790 C LEU A 50 2.481 -3.609 3.735 1.00 0.00 C ATOM 791 O LEU A 50 2.873 -2.918 2.793 1.00 0.00 O ATOM 792 CB LEU A 50 1.402 -5.838 3.371 1.00 0.00 C ATOM 793 CG LEU A 50 1.501 -6.754 2.150 1.00 0.00 C ATOM 794 CD1 LEU A 50 2.502 -7.872 2.401 1.00 0.00 C ATOM 795 CD2 LEU A 50 0.135 -7.326 1.804 1.00 0.00 C ATOM 0 H LEU A 50 2.480 -6.124 5.569 1.00 0.00 H new ATOM 0 HA LEU A 50 3.464 -5.361 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.074 -6.431 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.629 -5.092 3.185 1.00 0.00 H new ATOM 0 HG LEU A 50 1.852 -6.165 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.559 -8.514 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.484 -7.443 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.181 -8.461 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.223 -7.976 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.243 -7.901 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.555 -6.512 1.581 1.00 0.00 H new ATOM 807 N VAL A 51 1.889 -3.104 4.811 1.00 0.00 N ATOM 808 CA VAL A 51 1.632 -1.677 4.951 1.00 0.00 C ATOM 809 C VAL A 51 2.939 -0.893 4.993 1.00 0.00 C ATOM 810 O VAL A 51 3.039 0.196 4.425 1.00 0.00 O ATOM 811 CB VAL A 51 0.834 -1.379 6.232 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.417 0.082 6.280 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.377 -2.293 6.336 1.00 0.00 C ATOM 0 H VAL A 51 1.577 -3.666 5.603 1.00 0.00 H new ATOM 0 HA VAL A 51 1.048 -1.369 4.084 1.00 0.00 H new ATOM 0 HB VAL A 51 1.479 -1.574 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.146 0.270 7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.305 0.714 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.207 0.311 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.927 -2.065 7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.025 -2.138 5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.048 -3.332 6.360 1.00 0.00 H new ATOM 823 N ARG A 52 3.941 -1.456 5.663 1.00 0.00 N ATOM 824 CA ARG A 52 5.245 -0.814 5.763 1.00 0.00 C ATOM 825 C ARG A 52 5.865 -0.666 4.382 1.00 0.00 C ATOM 826 O ARG A 52 6.505 0.341 4.079 1.00 0.00 O ATOM 827 CB ARG A 52 6.173 -1.625 6.670 1.00 0.00 C ATOM 828 CG ARG A 52 6.388 -0.998 8.037 1.00 0.00 C ATOM 829 CD ARG A 52 7.846 -1.070 8.459 1.00 0.00 C ATOM 830 NE ARG A 52 8.094 -0.350 9.705 1.00 0.00 N ATOM 831 CZ ARG A 52 8.149 0.977 9.793 1.00 0.00 C ATOM 832 NH1 ARG A 52 7.973 1.725 8.712 1.00 0.00 N ATOM 833 NH2 ARG A 52 8.378 1.556 10.964 1.00 0.00 N ATOM 0 H ARG A 52 3.874 -2.353 6.143 1.00 0.00 H new ATOM 0 HA ARG A 52 5.110 0.176 6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.758 -2.625 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.138 -1.742 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.065 0.043 8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.769 -1.509 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.137 -2.114 8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.472 -0.654 7.670 1.00 0.00 H new ATOM 0 HE ARG A 52 8.233 -0.895 10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.795 1.284 7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.016 2.742 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.512 0.984 11.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.420 2.573 11.031 1.00 0.00 H new ATOM 847 N LYS A 53 5.657 -1.673 3.540 1.00 0.00 N ATOM 848 CA LYS A 53 6.152 -1.635 2.172 1.00 0.00 C ATOM 849 C LYS A 53 5.397 -0.576 1.379 1.00 0.00 C ATOM 850 O LYS A 53 5.971 0.118 0.539 1.00 0.00 O ATOM 851 CB LYS A 53 5.993 -3.004 1.507 1.00 0.00 C ATOM 852 CG LYS A 53 7.023 -3.278 0.423 1.00 0.00 C ATOM 853 CD LYS A 53 6.726 -4.575 -0.312 1.00 0.00 C ATOM 854 CE LYS A 53 7.867 -4.964 -1.239 1.00 0.00 C ATOM 855 NZ LYS A 53 8.597 -6.166 -0.749 1.00 0.00 N ATOM 0 H LYS A 53 5.149 -2.524 3.782 1.00 0.00 H new ATOM 0 HA LYS A 53 7.212 -1.381 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.065 -3.779 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.995 -3.075 1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.035 -2.451 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.017 -3.330 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.555 -5.373 0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.808 -4.465 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.473 -5.160 -2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.562 -4.129 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.367 -6.398 -1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.995 -5.971 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.940 -6.970 -0.687 1.00 0.00 H new ATOM 869 N LEU A 54 4.099 -0.463 1.655 1.00 0.00 N ATOM 870 CA LEU A 54 3.255 0.526 0.996 1.00 0.00 C ATOM 871 C LEU A 54 3.660 1.939 1.404 1.00 0.00 C ATOM 872 O LEU A 54 3.315 2.914 0.736 1.00 0.00 O ATOM 873 CB LEU A 54 1.785 0.283 1.349 1.00 0.00 C ATOM 874 CG LEU A 54 0.955 -0.426 0.274 1.00 0.00 C ATOM 875 CD1 LEU A 54 0.713 0.498 -0.910 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.636 -1.711 -0.175 1.00 0.00 C ATOM 0 H LEU A 54 3.610 -1.047 2.333 1.00 0.00 H new ATOM 0 HA LEU A 54 3.386 0.425 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.742 -0.308 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.319 1.244 1.568 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.011 -0.689 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.122 -0.023 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.174 1.385 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.669 0.795 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.029 -2.197 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.618 -1.478 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.750 -2.380 0.678 1.00 0.00 H new ATOM 888 N GLN A 55 4.384 2.038 2.515 1.00 0.00 N ATOM 889 CA GLN A 55 4.828 3.326 3.035 1.00 0.00 C ATOM 890 C GLN A 55 5.856 3.974 2.118 1.00 0.00 C ATOM 891 O GLN A 55 5.925 3.682 0.925 1.00 0.00 O ATOM 892 CB GLN A 55 5.432 3.155 4.428 1.00 0.00 C ATOM 893 CG GLN A 55 4.531 3.653 5.547 1.00 0.00 C ATOM 894 CD GLN A 55 4.166 5.116 5.397 1.00 0.00 C ATOM 895 OE1 GLN A 55 2.999 5.493 5.511 1.00 0.00 O ATOM 896 NE2 GLN A 55 5.166 5.951 5.139 1.00 0.00 N ATOM 0 H GLN A 55 4.677 1.237 3.075 1.00 0.00 H new ATOM 0 HA GLN A 55 3.954 3.975 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.652 2.100 4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.381 3.690 4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.619 3.056 5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.031 3.504 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.118 5.595 5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.982 6.948 5.027 1.00 0.00 H new ATOM 905 N GLU A 56 6.675 4.836 2.707 1.00 0.00 N ATOM 906 CA GLU A 56 7.721 5.531 1.983 1.00 0.00 C ATOM 907 C GLU A 56 8.869 4.586 1.657 1.00 0.00 C ATOM 908 O GLU A 56 8.661 3.412 1.353 1.00 0.00 O ATOM 909 CB GLU A 56 8.223 6.709 2.822 1.00 0.00 C ATOM 910 CG GLU A 56 8.373 6.390 4.300 1.00 0.00 C ATOM 911 CD GLU A 56 8.761 7.603 5.124 1.00 0.00 C ATOM 912 OE1 GLU A 56 9.942 8.005 5.069 1.00 0.00 O ATOM 913 OE2 GLU A 56 7.883 8.150 5.824 1.00 0.00 O ATOM 0 H GLU A 56 6.630 5.070 3.699 1.00 0.00 H new ATOM 0 HA GLU A 56 7.314 5.904 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.186 7.037 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.532 7.544 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.434 5.985 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.128 5.614 4.425 1.00 0.00 H new ATOM 920 N GLU A 57 10.077 5.111 1.729 1.00 0.00 N ATOM 921 CA GLU A 57 11.276 4.338 1.427 1.00 0.00 C ATOM 922 C GLU A 57 11.587 3.353 2.549 1.00 0.00 C ATOM 923 O GLU A 57 11.488 3.688 3.730 1.00 0.00 O ATOM 924 CB GLU A 57 12.467 5.272 1.212 1.00 0.00 C ATOM 925 CG GLU A 57 12.702 6.236 2.365 1.00 0.00 C ATOM 926 CD GLU A 57 14.108 6.147 2.924 1.00 0.00 C ATOM 927 OE1 GLU A 57 15.013 6.802 2.364 1.00 0.00 O ATOM 928 OE2 GLU A 57 14.305 5.423 3.923 1.00 0.00 O ATOM 0 H GLU A 57 10.259 6.078 1.996 1.00 0.00 H new ATOM 0 HA GLU A 57 11.093 3.774 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.365 4.673 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.309 5.844 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.514 7.255 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.986 6.027 3.160 1.00 0.00 H new ATOM 935 N LYS A 58 11.967 2.137 2.170 1.00 0.00 N ATOM 936 CA LYS A 58 12.287 1.098 3.138 1.00 0.00 C ATOM 937 C LYS A 58 13.686 1.298 3.710 1.00 0.00 C ATOM 938 O LYS A 58 14.495 2.043 3.154 1.00 0.00 O ATOM 939 CB LYS A 58 12.182 -0.283 2.486 1.00 0.00 C ATOM 940 CG LYS A 58 11.815 -1.389 3.461 1.00 0.00 C ATOM 941 CD LYS A 58 10.370 -1.828 3.287 1.00 0.00 C ATOM 942 CE LYS A 58 10.274 -3.126 2.501 1.00 0.00 C ATOM 943 NZ LYS A 58 11.118 -4.199 3.096 1.00 0.00 N ATOM 0 H LYS A 58 12.061 1.848 1.196 1.00 0.00 H new ATOM 0 HA LYS A 58 11.569 1.163 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.434 -0.246 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.134 -0.527 2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.476 -2.242 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.970 -1.041 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.908 -1.959 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.811 -1.047 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.236 -3.456 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.583 -2.950 1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.669 -5.123 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.058 -4.188 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.217 -4.036 4.118 1.00 0.00 H new ATOM 957 N TYR A 59 13.964 0.632 4.825 1.00 0.00 N ATOM 958 CA TYR A 59 15.266 0.736 5.474 1.00 0.00 C ATOM 959 C TYR A 59 16.227 -0.319 4.936 1.00 0.00 C ATOM 960 O TYR A 59 15.818 -1.249 4.241 1.00 0.00 O ATOM 961 CB TYR A 59 15.119 0.585 6.989 1.00 0.00 C ATOM 962 CG TYR A 59 15.384 1.861 7.755 1.00 0.00 C ATOM 963 CD1 TYR A 59 14.454 2.893 7.767 1.00 0.00 C ATOM 964 CD2 TYR A 59 16.565 2.034 8.465 1.00 0.00 C ATOM 965 CE1 TYR A 59 14.693 4.061 8.466 1.00 0.00 C ATOM 966 CE2 TYR A 59 16.812 3.198 9.166 1.00 0.00 C ATOM 967 CZ TYR A 59 15.873 4.209 9.164 1.00 0.00 C ATOM 968 OH TYR A 59 16.116 5.370 9.861 1.00 0.00 O ATOM 0 H TYR A 59 13.305 0.014 5.299 1.00 0.00 H new ATOM 0 HA TYR A 59 15.676 1.722 5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.110 0.239 7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.806 -0.187 7.337 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.529 2.781 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.303 1.245 8.469 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.959 4.854 8.466 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.736 3.316 9.713 1.00 0.00 H new ATOM 0 HH TYR A 59 16.991 5.312 10.298 1.00 0.00 H new ATOM 978 N GLY A 60 17.507 -0.166 5.261 1.00 0.00 N ATOM 979 CA GLY A 60 18.509 -1.110 4.800 1.00 0.00 C ATOM 980 C GLY A 60 19.352 -1.661 5.931 1.00 0.00 C ATOM 981 O GLY A 60 20.537 -1.944 5.750 1.00 0.00 O ATOM 0 H GLY A 60 17.868 0.595 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.017 -1.934 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.157 -0.620 4.073 1.00 0.00 H new ATOM 985 N SER A 61 18.741 -1.814 7.102 1.00 0.00 N ATOM 986 CA SER A 61 19.442 -2.336 8.270 1.00 0.00 C ATOM 987 C SER A 61 19.354 -3.858 8.325 1.00 0.00 C ATOM 988 O SER A 61 20.351 -4.553 8.129 1.00 0.00 O ATOM 989 CB SER A 61 18.861 -1.733 9.551 1.00 0.00 C ATOM 990 OG SER A 61 19.606 -2.134 10.687 1.00 0.00 O ATOM 0 H SER A 61 17.761 -1.584 7.267 1.00 0.00 H new ATOM 0 HA SER A 61 20.492 -2.055 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.861 -0.645 9.477 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.823 -2.044 9.665 1.00 0.00 H new ATOM 0 HG SER A 61 19.216 -1.734 11.492 1.00 0.00 H new ATOM 996 N CYS A 62 18.153 -4.366 8.593 1.00 0.00 N ATOM 997 CA CYS A 62 17.926 -5.807 8.677 1.00 0.00 C ATOM 998 C CYS A 62 18.845 -6.447 9.714 1.00 0.00 C ATOM 999 O CYS A 62 19.398 -7.524 9.488 1.00 0.00 O ATOM 1000 CB CYS A 62 18.143 -6.461 7.311 1.00 0.00 C ATOM 1001 SG CYS A 62 16.780 -7.523 6.776 1.00 0.00 S ATOM 0 H CYS A 62 17.320 -3.800 8.756 1.00 0.00 H new ATOM 0 HA CYS A 62 16.894 -5.967 8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 62 18.295 -5.680 6.566 1.00 0.00 H new ATOM 0 HB3 CYS A 62 19.058 -7.052 7.344 1.00 0.00 H new ATOM 0 HG CYS A 62 17.055 -8.028 5.610 1.00 0.00 H new ATOM 1007 N HIS A 63 19.003 -5.775 10.850 1.00 0.00 N ATOM 1008 CA HIS A 63 19.853 -6.277 11.923 1.00 0.00 C ATOM 1009 C HIS A 63 19.017 -6.919 13.025 1.00 0.00 C ATOM 1010 O HIS A 63 19.132 -6.559 14.197 1.00 0.00 O ATOM 1011 CB HIS A 63 20.699 -5.140 12.502 1.00 0.00 C ATOM 1012 CG HIS A 63 22.056 -5.026 11.882 1.00 0.00 C ATOM 1013 ND1 HIS A 63 22.294 -5.449 10.596 1.00 0.00 N ATOM 1014 CD2 HIS A 63 23.205 -4.532 12.407 1.00 0.00 C ATOM 1015 CE1 HIS A 63 23.573 -5.207 10.367 1.00 0.00 C ATOM 1016 NE2 HIS A 63 24.164 -4.652 11.435 1.00 0.00 N ATOM 0 H HIS A 63 18.554 -4.882 11.051 1.00 0.00 H new ATOM 0 HA HIS A 63 20.514 -7.037 11.506 1.00 0.00 H new ATOM 0 HB2 HIS A 63 20.167 -4.198 12.367 1.00 0.00 H new ATOM 0 HB3 HIS A 63 20.811 -5.292 13.575 1.00 0.00 H new ATOM 0 HD2 HIS A 63 23.338 -4.124 13.398 1.00 0.00 H new ATOM 0 HE1 HIS A 63 24.078 -5.428 9.438 1.00 0.00 H new ATOM 0 HE2 HIS A 63 25.142 -4.372 11.510 1.00 0.00 H new ATOM 1024 N PHE A 64 18.173 -7.872 12.641 1.00 0.00 N ATOM 1025 CA PHE A 64 17.318 -8.566 13.596 1.00 0.00 C ATOM 1026 C PHE A 64 18.154 -9.344 14.607 1.00 0.00 C ATOM 1027 O PHE A 64 18.855 -10.291 14.250 1.00 0.00 O ATOM 1028 CB PHE A 64 16.366 -9.514 12.865 1.00 0.00 C ATOM 1029 CG PHE A 64 15.016 -8.916 12.586 1.00 0.00 C ATOM 1030 CD1 PHE A 64 14.872 -7.900 11.654 1.00 0.00 C ATOM 1031 CD2 PHE A 64 13.891 -9.372 13.254 1.00 0.00 C ATOM 1032 CE1 PHE A 64 13.630 -7.349 11.395 1.00 0.00 C ATOM 1033 CE2 PHE A 64 12.647 -8.825 12.998 1.00 0.00 C ATOM 1034 CZ PHE A 64 12.517 -7.813 12.069 1.00 0.00 C ATOM 0 H PHE A 64 18.063 -8.181 11.675 1.00 0.00 H new ATOM 0 HA PHE A 64 16.733 -7.819 14.133 1.00 0.00 H new ATOM 0 HB2 PHE A 64 16.822 -9.817 11.922 1.00 0.00 H new ATOM 0 HB3 PHE A 64 16.237 -10.417 13.461 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.739 -7.535 11.124 1.00 0.00 H new ATOM 0 HD2 PHE A 64 13.987 -10.163 13.983 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.531 -6.557 10.667 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.778 -9.190 13.525 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.546 -7.384 11.869 1.00 0.00 H new ATOM 1044 N THR A 65 18.074 -8.937 15.871 1.00 0.00 N ATOM 1045 CA THR A 65 18.826 -9.593 16.934 1.00 0.00 C ATOM 1046 C THR A 65 17.966 -10.630 17.648 1.00 0.00 C ATOM 1047 O THR A 65 17.263 -10.314 18.608 1.00 0.00 O ATOM 1048 CB THR A 65 19.336 -8.559 17.939 1.00 0.00 C ATOM 1049 OG1 THR A 65 18.961 -7.250 17.543 1.00 0.00 O ATOM 1050 CG2 THR A 65 20.839 -8.577 18.109 1.00 0.00 C ATOM 0 H THR A 65 17.496 -8.156 16.183 1.00 0.00 H new ATOM 0 HA THR A 65 19.677 -10.102 16.482 1.00 0.00 H new ATOM 0 HB THR A 65 18.879 -8.831 18.891 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.294 -6.602 18.198 1.00 0.00 H new ATOM 0 HG21 THR A 65 21.132 -7.819 18.836 1.00 0.00 H new ATOM 0 HG22 THR A 65 21.153 -9.559 18.462 1.00 0.00 H new ATOM 0 HG23 THR A 65 21.316 -8.366 17.152 1.00 0.00 H new ATOM 1058 N ASN A 66 18.028 -11.871 17.173 1.00 0.00 N ATOM 1059 CA ASN A 66 17.258 -12.956 17.769 1.00 0.00 C ATOM 1060 C ASN A 66 17.813 -13.324 19.144 1.00 0.00 C ATOM 1061 O ASN A 66 19.013 -13.200 19.389 1.00 0.00 O ATOM 1062 CB ASN A 66 17.276 -14.183 16.853 1.00 0.00 C ATOM 1063 CG ASN A 66 16.025 -14.292 16.003 1.00 0.00 C ATOM 1064 OD1 ASN A 66 15.028 -13.616 16.254 1.00 0.00 O ATOM 1065 ND2 ASN A 66 16.073 -15.148 14.989 1.00 0.00 N ATOM 0 H ASN A 66 18.603 -12.149 16.378 1.00 0.00 H new ATOM 0 HA ASN A 66 16.229 -12.617 17.891 1.00 0.00 H new ATOM 0 HB2 ASN A 66 18.150 -14.134 16.203 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.379 -15.083 17.459 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.262 -15.265 14.382 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.921 -15.688 14.817 1.00 0.00 H new ATOM 1072 N PRO A 67 16.943 -13.783 20.063 1.00 0.00 N ATOM 1073 CA PRO A 67 17.355 -14.163 21.420 1.00 0.00 C ATOM 1074 C PRO A 67 18.420 -15.255 21.422 1.00 0.00 C ATOM 1075 O PRO A 67 19.411 -15.166 22.147 1.00 0.00 O ATOM 1076 CB PRO A 67 16.061 -14.680 22.060 1.00 0.00 C ATOM 1077 CG PRO A 67 14.965 -14.067 21.260 1.00 0.00 C ATOM 1078 CD PRO A 67 15.493 -13.958 19.859 1.00 0.00 C ATOM 0 HA PRO A 67 17.805 -13.325 21.953 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.012 -15.768 22.028 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.995 -14.389 23.108 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.066 -14.682 21.292 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.695 -13.087 21.653 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.273 -14.851 19.274 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.055 -13.113 19.327 1.00 0.00 H new ATOM 1086 N SER A 68 18.207 -16.285 20.609 1.00 0.00 N ATOM 1087 CA SER A 68 19.145 -17.399 20.523 1.00 0.00 C ATOM 1088 C SER A 68 20.302 -17.073 19.583 1.00 0.00 C ATOM 1089 O SER A 68 21.185 -17.902 19.361 1.00 0.00 O ATOM 1090 CB SER A 68 18.426 -18.661 20.045 1.00 0.00 C ATOM 1091 OG SER A 68 17.813 -18.455 18.786 1.00 0.00 O ATOM 0 H SER A 68 17.393 -16.371 20.000 1.00 0.00 H new ATOM 0 HA SER A 68 19.552 -17.573 21.519 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.137 -19.484 19.976 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.672 -18.952 20.776 1.00 0.00 H new ATOM 0 HG SER A 68 17.362 -19.278 18.503 1.00 0.00 H new ATOM 1097 N LYS A 69 20.291 -15.863 19.034 1.00 0.00 N ATOM 1098 CA LYS A 69 21.339 -15.431 18.114 1.00 0.00 C ATOM 1099 C LYS A 69 22.499 -14.785 18.870 1.00 0.00 C ATOM 1100 O LYS A 69 23.436 -15.468 19.285 1.00 0.00 O ATOM 1101 CB LYS A 69 20.770 -14.450 17.086 1.00 0.00 C ATOM 1102 CG LYS A 69 21.529 -14.437 15.771 1.00 0.00 C ATOM 1103 CD LYS A 69 21.270 -13.158 14.992 1.00 0.00 C ATOM 1104 CE LYS A 69 20.013 -13.266 14.143 1.00 0.00 C ATOM 1105 NZ LYS A 69 20.324 -13.620 12.730 1.00 0.00 N ATOM 0 H LYS A 69 19.569 -15.164 19.209 1.00 0.00 H new ATOM 0 HA LYS A 69 21.718 -16.311 17.594 1.00 0.00 H new ATOM 0 HB2 LYS A 69 19.728 -14.705 16.892 1.00 0.00 H new ATOM 0 HB3 LYS A 69 20.779 -13.446 17.511 1.00 0.00 H new ATOM 0 HG2 LYS A 69 22.597 -14.536 15.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 21.233 -15.297 15.170 1.00 0.00 H new ATOM 0 HD2 LYS A 69 21.171 -12.323 15.685 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.125 -12.942 14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.351 -14.020 14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 69 19.475 -12.319 14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.440 -13.684 12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 20.934 -12.887 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.815 -14.536 12.702 1.00 0.00 H new ATOM 1119 N ARG A 70 22.434 -13.467 19.042 1.00 0.00 N ATOM 1120 CA ARG A 70 23.482 -12.734 19.744 1.00 0.00 C ATOM 1121 C ARG A 70 23.280 -12.807 21.256 1.00 0.00 C ATOM 1122 O ARG A 70 23.840 -13.677 21.923 1.00 0.00 O ATOM 1123 CB ARG A 70 23.505 -11.274 19.286 1.00 0.00 C ATOM 1124 CG ARG A 70 24.820 -10.856 18.647 1.00 0.00 C ATOM 1125 CD ARG A 70 24.698 -10.757 17.135 1.00 0.00 C ATOM 1126 NE ARG A 70 25.963 -10.394 16.504 1.00 0.00 N ATOM 1127 CZ ARG A 70 26.360 -10.860 15.324 1.00 0.00 C ATOM 1128 NH1 ARG A 70 25.591 -11.704 14.648 1.00 0.00 N ATOM 1129 NH2 ARG A 70 27.525 -10.480 14.816 1.00 0.00 N ATOM 0 H ARG A 70 21.667 -12.886 18.705 1.00 0.00 H new ATOM 0 HA ARG A 70 24.439 -13.197 19.504 1.00 0.00 H new ATOM 0 HB2 ARG A 70 22.697 -11.113 18.572 1.00 0.00 H new ATOM 0 HB3 ARG A 70 23.306 -10.630 20.143 1.00 0.00 H new ATOM 0 HG2 ARG A 70 25.133 -9.893 19.052 1.00 0.00 H new ATOM 0 HG3 ARG A 70 25.596 -11.577 18.904 1.00 0.00 H new ATOM 0 HD2 ARG A 70 24.356 -11.712 16.736 1.00 0.00 H new ATOM 0 HD3 ARG A 70 23.941 -10.015 16.881 1.00 0.00 H new ATOM 0 HE ARG A 70 26.578 -9.746 16.997 1.00 0.00 H new ATOM 0 HH11 ARG A 70 24.693 -11.997 15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 70 25.898 -12.060 13.743 1.00 0.00 H new ATOM 0 HH21 ARG A 70 28.118 -9.829 15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 70 27.828 -10.839 13.910 1.00 0.00 H new ATOM 1143 N GLU A 71 22.481 -11.888 21.790 1.00 0.00 N ATOM 1144 CA GLU A 71 22.207 -11.852 23.222 1.00 0.00 C ATOM 1145 C GLU A 71 20.966 -12.673 23.559 1.00 0.00 C ATOM 1146 O GLU A 71 19.846 -12.169 23.336 1.00 0.00 O ATOM 1147 CB GLU A 71 22.021 -10.407 23.690 1.00 0.00 C ATOM 1148 CG GLU A 71 23.330 -9.676 23.942 1.00 0.00 C ATOM 1149 CD GLU A 71 23.838 -9.859 25.358 1.00 0.00 C ATOM 1150 OE1 GLU A 71 23.964 -11.020 25.800 1.00 0.00 O ATOM 1151 OE2 GLU A 71 24.112 -8.840 26.026 1.00 0.00 O ATOM 1152 OXT GLU A 71 21.125 -13.814 24.042 1.00 0.00 O ATOM 0 H GLU A 71 22.012 -11.159 21.252 1.00 0.00 H new ATOM 0 HA GLU A 71 23.060 -12.288 23.742 1.00 0.00 H new ATOM 0 HB2 GLU A 71 21.449 -9.862 22.940 1.00 0.00 H new ATOM 0 HB3 GLU A 71 21.430 -10.404 24.606 1.00 0.00 H new ATOM 0 HG2 GLU A 71 24.083 -10.035 23.241 1.00 0.00 H new ATOM 0 HG3 GLU A 71 23.192 -8.613 23.744 1.00 0.00 H new TER 1159 GLU A 71