USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 678 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 29 SER OG : rot -41:sc= -0.0471 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -3.17 K(o=-3.2,f=-14!) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 146:sc= 1.29 (180deg=-0.044) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= 0.254 (180deg=-1.11) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.461! C(o=-0.46!,f=-5.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -158:sc= -0.0167 (180deg=-0.409) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.389 K(o=-0.39,f=-7.7!) USER MOD Single : A 35 THR OG1 : rot -80:sc= 0.812 USER MOD Single : A 40 ASN : amide:sc= -3.39! K(o=-3.4!,f=-0.51) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.834 USER MOD Single : A 46 MET CE :methyl -107:sc= -0.788 (180deg=-3.32!) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.229) USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= 0.0604 (180deg=-3.46!) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0.29 (180deg=0.189) USER MOD Single : A 59 ASN : amide:sc= -0.505 K(o=-0.5,f=-5.3!) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= 0.163 (180deg=-0.691!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= 1.3 (180deg=-0.33) USER MOD Single : A 70 MET CE :methyl 172:sc= 0 (180deg=-0.0513) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.689) USER MOD Single : A 73 TYR OH : rot 76:sc= -1.1 USER MOD Single : A 76 LYS NZ :NH3+ -108:sc= 0.68 (180deg=-2.86!) USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= 1.24 (180deg=0.572) USER MOD Single : A 82 LYS NZ :NH3+ -108:sc= 0.817 (180deg=-0.831) USER MOD Single : A 83 LYS NZ :NH3+ -106:sc= -2.31! (180deg=-6.37!) USER MOD Single : A 84 TYR OH : rot 179:sc= 0.96 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.656 4.546 -1.547 1.00 2.11 N ATOM 32 CA ALA A 3 4.609 4.678 -0.401 1.00 2.00 C ATOM 33 C ALA A 3 5.544 3.479 -0.121 1.00 1.56 C ATOM 34 O ALA A 3 6.658 3.702 0.282 1.00 1.68 O ATOM 35 CB ALA A 3 3.788 4.988 0.871 1.00 2.04 C ATOM 0 HA ALA A 3 5.290 5.479 -0.689 1.00 2.00 H new ATOM 0 HB1 ALA A 3 4.461 5.089 1.723 1.00 2.04 H new ATOM 0 HB2 ALA A 3 3.237 5.918 0.731 1.00 2.04 H new ATOM 0 HB3 ALA A 3 3.086 4.175 1.058 1.00 2.04 H new ATOM 41 N GLU A 4 5.129 2.267 -0.365 1.00 1.16 N ATOM 42 CA GLU A 4 6.001 1.102 -0.079 1.00 0.90 C ATOM 43 C GLU A 4 7.148 0.919 -1.015 1.00 0.57 C ATOM 44 O GLU A 4 8.243 0.565 -0.630 1.00 0.47 O ATOM 45 CB GLU A 4 5.016 -0.079 -0.009 1.00 0.95 C ATOM 46 CG GLU A 4 4.391 -0.146 1.434 1.00 1.43 C ATOM 47 CD GLU A 4 3.953 1.243 1.927 1.00 3.84 C ATOM 48 OE1 GLU A 4 4.821 1.935 2.443 1.00 5.15 O ATOM 49 OE2 GLU A 4 2.783 1.520 1.741 1.00 4.88 O ATOM 0 H GLU A 4 4.215 2.036 -0.754 1.00 1.16 H new ATOM 0 HA GLU A 4 6.553 1.227 0.853 1.00 0.90 H new ATOM 0 HB2 GLU A 4 4.230 0.043 -0.754 1.00 0.95 H new ATOM 0 HB3 GLU A 4 5.531 -1.012 -0.239 1.00 0.95 H new ATOM 0 HG2 GLU A 4 3.533 -0.818 1.428 1.00 1.43 H new ATOM 0 HG3 GLU A 4 5.120 -0.566 2.128 1.00 1.43 H new ATOM 56 N PHE A 5 6.867 1.191 -2.231 1.00 0.63 N ATOM 57 CA PHE A 5 7.888 1.068 -3.298 1.00 0.48 C ATOM 58 C PHE A 5 8.759 2.336 -3.203 1.00 0.49 C ATOM 59 O PHE A 5 9.979 2.314 -3.209 1.00 0.50 O ATOM 60 CB PHE A 5 7.100 0.996 -4.544 1.00 0.51 C ATOM 61 CG PHE A 5 8.052 1.311 -5.700 1.00 0.31 C ATOM 62 CD1 PHE A 5 8.893 0.339 -6.205 1.00 0.14 C ATOM 63 CD2 PHE A 5 8.099 2.587 -6.208 1.00 0.46 C ATOM 64 CE1 PHE A 5 9.779 0.646 -7.213 1.00 0.20 C ATOM 65 CE2 PHE A 5 8.983 2.895 -7.214 1.00 0.32 C ATOM 66 CZ PHE A 5 9.822 1.928 -7.714 1.00 0.09 C ATOM 0 H PHE A 5 5.951 1.503 -2.552 1.00 0.63 H new ATOM 0 HA PHE A 5 8.551 0.205 -3.235 1.00 0.48 H new ATOM 0 HB2 PHE A 5 6.662 0.005 -4.665 1.00 0.51 H new ATOM 0 HB3 PHE A 5 6.275 1.708 -4.520 1.00 0.51 H new ATOM 0 HD1 PHE A 5 8.856 -0.665 -5.808 1.00 0.14 H new ATOM 0 HD2 PHE A 5 7.441 3.348 -5.816 1.00 0.46 H new ATOM 0 HE1 PHE A 5 10.436 -0.114 -7.609 1.00 0.20 H new ATOM 0 HE2 PHE A 5 9.019 3.898 -7.612 1.00 0.32 H new ATOM 0 HZ PHE A 5 10.517 2.174 -8.503 1.00 0.09 H new ATOM 76 N ASP A 6 8.076 3.449 -3.116 1.00 0.65 N ATOM 77 CA ASP A 6 8.794 4.734 -3.011 1.00 0.70 C ATOM 78 C ASP A 6 9.664 4.696 -1.747 1.00 0.66 C ATOM 79 O ASP A 6 10.844 4.973 -1.745 1.00 0.69 O ATOM 80 CB ASP A 6 7.683 5.782 -3.006 1.00 0.88 C ATOM 81 CG ASP A 6 6.905 5.772 -4.313 1.00 1.14 C ATOM 82 OD1 ASP A 6 6.060 4.910 -4.440 1.00 1.07 O ATOM 83 OD2 ASP A 6 7.151 6.600 -5.167 1.00 1.47 O ATOM 0 H ASP A 6 7.058 3.514 -3.114 1.00 0.65 H new ATOM 0 HA ASP A 6 9.488 4.958 -3.821 1.00 0.70 H new ATOM 0 HB2 ASP A 6 7.004 5.591 -2.175 1.00 0.88 H new ATOM 0 HB3 ASP A 6 8.114 6.770 -2.845 1.00 0.88 H new ATOM 88 N LYS A 7 9.052 4.334 -0.672 1.00 0.63 N ATOM 89 CA LYS A 7 9.804 4.253 0.625 1.00 0.64 C ATOM 90 C LYS A 7 10.949 3.240 0.479 1.00 0.57 C ATOM 91 O LYS A 7 12.002 3.429 1.065 1.00 0.64 O ATOM 92 CB LYS A 7 8.896 3.778 1.768 1.00 0.69 C ATOM 93 CG LYS A 7 9.661 3.801 3.114 1.00 0.69 C ATOM 94 CD LYS A 7 9.840 5.296 3.539 1.00 1.72 C ATOM 95 CE LYS A 7 10.699 5.426 4.779 1.00 1.85 C ATOM 96 NZ LYS A 7 12.048 4.966 4.380 1.00 3.59 N ATOM 0 H LYS A 7 8.064 4.087 -0.618 1.00 0.63 H new ATOM 0 HA LYS A 7 10.181 5.249 0.858 1.00 0.64 H new ATOM 0 HB2 LYS A 7 8.017 4.419 1.832 1.00 0.69 H new ATOM 0 HB3 LYS A 7 8.540 2.768 1.562 1.00 0.69 H new ATOM 0 HG2 LYS A 7 9.109 3.251 3.876 1.00 0.69 H new ATOM 0 HG3 LYS A 7 10.631 3.315 3.010 1.00 0.69 H new ATOM 0 HD2 LYS A 7 10.294 5.855 2.721 1.00 1.72 H new ATOM 0 HD3 LYS A 7 8.863 5.741 3.725 1.00 1.72 H new ATOM 0 HE2 LYS A 7 10.725 6.457 5.131 1.00 1.85 H new ATOM 0 HE3 LYS A 7 10.304 4.820 5.595 1.00 1.85 H new ATOM 0 HZ1 LYS A 7 12.408 4.293 5.086 1.00 3.59 H new ATOM 0 HZ2 LYS A 7 11.995 4.499 3.452 1.00 3.59 H new ATOM 0 HZ3 LYS A 7 12.690 5.782 4.321 1.00 3.59 H new ATOM 110 N ALA A 8 10.707 2.207 -0.297 1.00 0.48 N ATOM 111 CA ALA A 8 11.752 1.156 -0.510 1.00 0.43 C ATOM 112 C ALA A 8 12.949 1.925 -1.114 1.00 0.42 C ATOM 113 O ALA A 8 14.061 1.764 -0.645 1.00 0.42 O ATOM 114 CB ALA A 8 11.170 0.087 -1.464 1.00 0.47 C ATOM 0 H ALA A 8 9.829 2.048 -0.792 1.00 0.48 H new ATOM 0 HA ALA A 8 12.064 0.627 0.391 1.00 0.43 H new ATOM 0 HB1 ALA A 8 11.914 -0.691 -1.635 1.00 0.47 H new ATOM 0 HB2 ALA A 8 10.280 -0.354 -1.016 1.00 0.47 H new ATOM 0 HB3 ALA A 8 10.906 0.552 -2.414 1.00 0.47 H new ATOM 120 N ALA A 9 12.709 2.727 -2.131 1.00 0.41 N ATOM 121 CA ALA A 9 13.842 3.514 -2.737 1.00 0.41 C ATOM 122 C ALA A 9 14.689 4.177 -1.626 1.00 0.41 C ATOM 123 O ALA A 9 15.905 4.118 -1.670 1.00 0.40 O ATOM 124 CB ALA A 9 13.257 4.580 -3.659 1.00 0.53 C ATOM 0 H ALA A 9 11.796 2.870 -2.562 1.00 0.41 H new ATOM 0 HA ALA A 9 14.490 2.847 -3.306 1.00 0.41 H new ATOM 0 HB1 ALA A 9 14.066 5.158 -4.106 1.00 0.53 H new ATOM 0 HB2 ALA A 9 12.676 4.101 -4.447 1.00 0.53 H new ATOM 0 HB3 ALA A 9 12.611 5.243 -3.084 1.00 0.53 H new ATOM 130 N GLU A 10 14.037 4.783 -0.662 1.00 0.51 N ATOM 131 CA GLU A 10 14.811 5.430 0.443 1.00 0.67 C ATOM 132 C GLU A 10 15.594 4.349 1.186 1.00 0.67 C ATOM 133 O GLU A 10 16.808 4.407 1.298 1.00 0.78 O ATOM 134 CB GLU A 10 13.907 6.085 1.502 1.00 0.81 C ATOM 135 CG GLU A 10 13.146 7.369 1.067 1.00 0.89 C ATOM 136 CD GLU A 10 12.310 7.943 2.239 1.00 1.28 C ATOM 137 OE1 GLU A 10 12.334 7.342 3.310 1.00 3.17 O ATOM 138 OE2 GLU A 10 11.682 8.961 1.997 1.00 1.81 O ATOM 0 H GLU A 10 13.022 4.857 -0.593 1.00 0.51 H new ATOM 0 HA GLU A 10 15.441 6.189 -0.021 1.00 0.67 H new ATOM 0 HB2 GLU A 10 13.173 5.347 1.827 1.00 0.81 H new ATOM 0 HB3 GLU A 10 14.520 6.329 2.370 1.00 0.81 H new ATOM 0 HG2 GLU A 10 13.858 8.119 0.722 1.00 0.89 H new ATOM 0 HG3 GLU A 10 12.491 7.141 0.226 1.00 0.89 H new ATOM 145 N GLU A 11 14.858 3.376 1.659 1.00 0.57 N ATOM 146 CA GLU A 11 15.482 2.261 2.428 1.00 0.61 C ATOM 147 C GLU A 11 16.721 1.687 1.721 1.00 0.62 C ATOM 148 O GLU A 11 17.760 1.512 2.327 1.00 0.89 O ATOM 149 CB GLU A 11 14.401 1.195 2.656 1.00 0.62 C ATOM 150 CG GLU A 11 13.185 1.923 3.342 1.00 0.69 C ATOM 151 CD GLU A 11 12.718 1.441 4.726 1.00 0.71 C ATOM 152 OE1 GLU A 11 12.689 0.243 4.976 1.00 2.65 O ATOM 153 OE2 GLU A 11 12.403 2.375 5.447 1.00 1.66 O ATOM 0 H GLU A 11 13.847 3.307 1.544 1.00 0.57 H new ATOM 0 HA GLU A 11 15.849 2.631 3.385 1.00 0.61 H new ATOM 0 HB2 GLU A 11 14.098 0.743 1.712 1.00 0.62 H new ATOM 0 HB3 GLU A 11 14.778 0.391 3.288 1.00 0.62 H new ATOM 0 HG2 GLU A 11 13.439 2.979 3.429 1.00 0.69 H new ATOM 0 HG3 GLU A 11 12.334 1.854 2.664 1.00 0.69 H new ATOM 160 N VAL A 12 16.610 1.426 0.444 1.00 0.41 N ATOM 161 CA VAL A 12 17.763 0.862 -0.326 1.00 0.40 C ATOM 162 C VAL A 12 18.823 1.960 -0.539 1.00 0.33 C ATOM 163 O VAL A 12 20.008 1.705 -0.449 1.00 0.32 O ATOM 164 CB VAL A 12 17.214 0.315 -1.665 1.00 0.44 C ATOM 165 CG1 VAL A 12 17.119 1.366 -2.783 1.00 0.25 C ATOM 166 CG2 VAL A 12 18.145 -0.799 -2.136 1.00 0.62 C ATOM 0 H VAL A 12 15.764 1.580 -0.104 1.00 0.41 H new ATOM 0 HA VAL A 12 18.246 0.049 0.215 1.00 0.40 H new ATOM 0 HB VAL A 12 16.198 -0.031 -1.473 1.00 0.44 H new ATOM 0 HG11 VAL A 12 16.725 0.901 -3.687 1.00 0.25 H new ATOM 0 HG12 VAL A 12 16.454 2.171 -2.470 1.00 0.25 H new ATOM 0 HG13 VAL A 12 18.110 1.772 -2.986 1.00 0.25 H new ATOM 0 HG21 VAL A 12 17.780 -1.203 -3.080 1.00 0.62 H new ATOM 0 HG22 VAL A 12 19.149 -0.399 -2.276 1.00 0.62 H new ATOM 0 HG23 VAL A 12 18.171 -1.592 -1.388 1.00 0.62 H new ATOM 176 N LYS A 13 18.411 3.174 -0.829 1.00 0.31 N ATOM 177 CA LYS A 13 19.393 4.280 -1.022 1.00 0.26 C ATOM 178 C LYS A 13 20.184 4.414 0.307 1.00 0.30 C ATOM 179 O LYS A 13 21.222 5.028 0.357 1.00 0.44 O ATOM 180 CB LYS A 13 18.558 5.505 -1.384 1.00 0.23 C ATOM 181 CG LYS A 13 18.169 5.387 -2.878 1.00 0.29 C ATOM 182 CD LYS A 13 18.914 6.499 -3.677 1.00 1.48 C ATOM 183 CE LYS A 13 18.108 7.789 -3.696 1.00 0.65 C ATOM 184 NZ LYS A 13 18.922 8.729 -4.500 1.00 0.70 N ATOM 0 H LYS A 13 17.433 3.442 -0.940 1.00 0.31 H new ATOM 0 HA LYS A 13 20.128 4.124 -1.812 1.00 0.26 H new ATOM 0 HB2 LYS A 13 17.666 5.557 -0.760 1.00 0.23 H new ATOM 0 HB3 LYS A 13 19.125 6.419 -1.208 1.00 0.23 H new ATOM 0 HG2 LYS A 13 18.436 4.402 -3.262 1.00 0.29 H new ATOM 0 HG3 LYS A 13 17.091 5.494 -2.997 1.00 0.29 H new ATOM 0 HD2 LYS A 13 19.890 6.682 -3.228 1.00 1.48 H new ATOM 0 HD3 LYS A 13 19.091 6.161 -4.698 1.00 1.48 H new ATOM 0 HE2 LYS A 13 17.125 7.635 -4.141 1.00 0.65 H new ATOM 0 HE3 LYS A 13 17.945 8.169 -2.687 1.00 0.65 H new ATOM 0 HZ1 LYS A 13 18.434 9.646 -4.561 1.00 0.70 H new ATOM 0 HZ2 LYS A 13 19.849 8.860 -4.048 1.00 0.70 H new ATOM 0 HZ3 LYS A 13 19.055 8.343 -5.456 1.00 0.70 H new ATOM 198 N HIS A 14 19.627 3.859 1.351 1.00 0.24 N ATOM 199 CA HIS A 14 20.281 3.869 2.704 1.00 0.35 C ATOM 200 C HIS A 14 21.107 2.562 2.958 1.00 0.33 C ATOM 201 O HIS A 14 21.633 2.370 4.038 1.00 0.50 O ATOM 202 CB HIS A 14 19.202 3.998 3.815 1.00 0.48 C ATOM 203 CG HIS A 14 18.599 5.391 3.887 1.00 0.67 C ATOM 204 ND1 HIS A 14 17.453 5.711 3.402 1.00 0.80 N ATOM 205 CD2 HIS A 14 19.077 6.559 4.443 1.00 0.76 C ATOM 206 CE1 HIS A 14 17.215 6.968 3.627 1.00 0.96 C ATOM 207 NE2 HIS A 14 18.204 7.532 4.275 1.00 0.95 N ATOM 0 H HIS A 14 18.724 3.386 1.327 1.00 0.24 H new ATOM 0 HA HIS A 14 20.959 4.722 2.730 1.00 0.35 H new ATOM 0 HB2 HIS A 14 18.409 3.272 3.632 1.00 0.48 H new ATOM 0 HB3 HIS A 14 19.647 3.749 4.778 1.00 0.48 H new ATOM 0 HD1 HIS A 14 16.824 5.073 2.913 1.00 0.80 H new ATOM 0 HD2 HIS A 14 20.029 6.662 4.943 1.00 0.76 H new ATOM 0 HE1 HIS A 14 16.317 7.482 3.319 1.00 0.96 H new ATOM 215 N LEU A 15 21.214 1.677 1.994 1.00 0.15 N ATOM 216 CA LEU A 15 22.008 0.410 2.192 1.00 0.15 C ATOM 217 C LEU A 15 23.423 0.813 2.633 1.00 0.49 C ATOM 218 O LEU A 15 24.145 1.445 1.890 1.00 0.86 O ATOM 219 CB LEU A 15 22.120 -0.401 0.873 1.00 0.45 C ATOM 220 CG LEU A 15 20.866 -1.211 0.520 1.00 0.95 C ATOM 221 CD1 LEU A 15 21.070 -1.681 -0.910 1.00 1.56 C ATOM 222 CD2 LEU A 15 20.774 -2.500 1.373 1.00 1.13 C ATOM 0 H LEU A 15 20.786 1.774 1.073 1.00 0.15 H new ATOM 0 HA LEU A 15 21.508 -0.211 2.935 1.00 0.15 H new ATOM 0 HB2 LEU A 15 22.336 0.286 0.055 1.00 0.45 H new ATOM 0 HB3 LEU A 15 22.968 -1.082 0.950 1.00 0.45 H new ATOM 0 HG LEU A 15 19.978 -0.600 0.680 1.00 0.95 H new ATOM 0 HD11 LEU A 15 20.208 -2.268 -1.227 1.00 1.56 H new ATOM 0 HD12 LEU A 15 21.181 -0.817 -1.565 1.00 1.56 H new ATOM 0 HD13 LEU A 15 21.968 -2.296 -0.966 1.00 1.56 H new ATOM 0 HD21 LEU A 15 19.875 -3.053 1.101 1.00 1.13 H new ATOM 0 HD22 LEU A 15 21.651 -3.120 1.190 1.00 1.13 H new ATOM 0 HD23 LEU A 15 20.731 -2.235 2.429 1.00 1.13 H new ATOM 234 N LYS A 16 23.816 0.449 3.830 1.00 0.80 N ATOM 235 CA LYS A 16 25.208 0.841 4.277 1.00 0.91 C ATOM 236 C LYS A 16 26.252 0.298 3.265 1.00 0.46 C ATOM 237 O LYS A 16 27.378 0.739 3.181 1.00 0.43 O ATOM 238 CB LYS A 16 25.507 0.263 5.705 1.00 1.34 C ATOM 239 CG LYS A 16 24.621 0.927 6.817 1.00 2.21 C ATOM 240 CD LYS A 16 25.113 0.401 8.221 1.00 2.57 C ATOM 241 CE LYS A 16 24.378 1.085 9.405 1.00 2.00 C ATOM 242 NZ LYS A 16 24.947 0.558 10.697 1.00 2.50 N ATOM 0 H LYS A 16 23.263 -0.083 4.502 1.00 0.80 H new ATOM 0 HA LYS A 16 25.271 1.928 4.319 1.00 0.91 H new ATOM 0 HB2 LYS A 16 25.335 -0.813 5.702 1.00 1.34 H new ATOM 0 HB3 LYS A 16 26.560 0.417 5.943 1.00 1.34 H new ATOM 0 HG2 LYS A 16 24.702 2.013 6.769 1.00 2.21 H new ATOM 0 HG3 LYS A 16 23.571 0.678 6.665 1.00 2.21 H new ATOM 0 HD2 LYS A 16 24.958 -0.677 8.276 1.00 2.57 H new ATOM 0 HD3 LYS A 16 26.185 0.574 8.315 1.00 2.57 H new ATOM 0 HE2 LYS A 16 24.501 2.167 9.352 1.00 2.00 H new ATOM 0 HE3 LYS A 16 23.308 0.883 9.353 1.00 2.00 H new ATOM 0 HZ1 LYS A 16 24.462 1.009 11.499 1.00 2.50 H new ATOM 0 HZ2 LYS A 16 24.808 -0.472 10.743 1.00 2.50 H new ATOM 0 HZ3 LYS A 16 25.964 0.773 10.742 1.00 2.50 H new ATOM 256 N THR A 17 25.818 -0.677 2.522 1.00 0.40 N ATOM 257 CA THR A 17 26.700 -1.306 1.499 1.00 0.58 C ATOM 258 C THR A 17 26.034 -1.400 0.123 1.00 1.03 C ATOM 259 O THR A 17 24.840 -1.529 0.005 1.00 2.22 O ATOM 260 CB THR A 17 27.078 -2.668 2.088 1.00 0.56 C ATOM 261 OG1 THR A 17 27.803 -2.332 3.269 1.00 0.62 O ATOM 262 CG2 THR A 17 28.116 -3.403 1.252 1.00 1.04 C ATOM 0 H THR A 17 24.879 -1.071 2.579 1.00 0.40 H new ATOM 0 HA THR A 17 27.587 -0.704 1.302 1.00 0.58 H new ATOM 0 HB THR A 17 26.181 -3.279 2.188 1.00 0.56 H new ATOM 0 HG1 THR A 17 28.089 -3.153 3.722 1.00 0.62 H new ATOM 0 HG21 THR A 17 28.345 -4.362 1.717 1.00 1.04 H new ATOM 0 HG22 THR A 17 27.723 -3.571 0.249 1.00 1.04 H new ATOM 0 HG23 THR A 17 29.024 -2.803 1.190 1.00 1.04 H new ATOM 270 N LYS A 18 26.838 -1.351 -0.902 1.00 0.52 N ATOM 271 CA LYS A 18 26.401 -1.428 -2.309 1.00 0.64 C ATOM 272 C LYS A 18 26.400 -2.956 -2.525 1.00 0.52 C ATOM 273 O LYS A 18 27.471 -3.538 -2.513 1.00 0.71 O ATOM 274 CB LYS A 18 27.457 -0.749 -3.232 1.00 0.83 C ATOM 275 CG LYS A 18 28.411 0.215 -2.460 1.00 1.77 C ATOM 276 CD LYS A 18 29.660 -0.553 -1.923 1.00 1.92 C ATOM 277 CE LYS A 18 30.761 -0.580 -2.997 1.00 1.56 C ATOM 278 NZ LYS A 18 32.003 -1.130 -2.362 1.00 0.96 N ATOM 0 H LYS A 18 27.848 -1.254 -0.802 1.00 0.52 H new ATOM 0 HA LYS A 18 25.452 -0.938 -2.525 1.00 0.64 H new ATOM 0 HB2 LYS A 18 28.049 -1.520 -3.725 1.00 0.83 H new ATOM 0 HB3 LYS A 18 26.943 -0.192 -4.015 1.00 0.83 H new ATOM 0 HG2 LYS A 18 28.731 1.022 -3.119 1.00 1.77 H new ATOM 0 HG3 LYS A 18 27.876 0.675 -1.629 1.00 1.77 H new ATOM 0 HD2 LYS A 18 30.033 -0.071 -1.019 1.00 1.92 H new ATOM 0 HD3 LYS A 18 29.382 -1.571 -1.650 1.00 1.92 H new ATOM 0 HE2 LYS A 18 30.457 -1.199 -3.841 1.00 1.56 H new ATOM 0 HE3 LYS A 18 30.941 0.422 -3.385 1.00 1.56 H new ATOM 0 HZ1 LYS A 18 32.768 -1.161 -3.066 1.00 0.96 H new ATOM 0 HZ2 LYS A 18 32.287 -0.520 -1.569 1.00 0.96 H new ATOM 0 HZ3 LYS A 18 31.817 -2.091 -2.011 1.00 0.96 H new ATOM 292 N PRO A 19 25.259 -3.576 -2.682 1.00 0.52 N ATOM 293 CA PRO A 19 25.190 -5.054 -2.901 1.00 0.40 C ATOM 294 C PRO A 19 25.979 -5.526 -4.143 1.00 0.23 C ATOM 295 O PRO A 19 26.649 -4.747 -4.797 1.00 0.44 O ATOM 296 CB PRO A 19 23.682 -5.308 -2.965 1.00 0.51 C ATOM 297 CG PRO A 19 23.135 -4.167 -2.085 1.00 0.73 C ATOM 298 CD PRO A 19 23.899 -2.977 -2.641 1.00 0.88 C ATOM 0 HA PRO A 19 25.672 -5.635 -2.115 1.00 0.40 H new ATOM 0 HB2 PRO A 19 23.301 -5.257 -3.985 1.00 0.51 H new ATOM 0 HB3 PRO A 19 23.415 -6.290 -2.574 1.00 0.51 H new ATOM 0 HG2 PRO A 19 22.056 -4.048 -2.188 1.00 0.73 H new ATOM 0 HG3 PRO A 19 23.339 -4.329 -1.027 1.00 0.73 H new ATOM 0 HD2 PRO A 19 23.544 -2.670 -3.625 1.00 0.88 H new ATOM 0 HD3 PRO A 19 23.843 -2.101 -1.995 1.00 0.88 H new ATOM 306 N ALA A 20 25.880 -6.789 -4.458 1.00 0.33 N ATOM 307 CA ALA A 20 26.614 -7.332 -5.650 1.00 0.28 C ATOM 308 C ALA A 20 25.918 -6.841 -6.950 1.00 0.28 C ATOM 309 O ALA A 20 24.715 -6.644 -6.936 1.00 0.30 O ATOM 310 CB ALA A 20 26.586 -8.865 -5.507 1.00 0.57 C ATOM 0 H ALA A 20 25.324 -7.473 -3.945 1.00 0.33 H new ATOM 0 HA ALA A 20 27.647 -6.988 -5.704 1.00 0.28 H new ATOM 0 HB1 ALA A 20 27.108 -9.319 -6.350 1.00 0.57 H new ATOM 0 HB2 ALA A 20 27.078 -9.153 -4.578 1.00 0.57 H new ATOM 0 HB3 ALA A 20 25.552 -9.210 -5.492 1.00 0.57 H new ATOM 316 N ASP A 21 26.655 -6.649 -8.021 1.00 0.30 N ATOM 317 CA ASP A 21 26.037 -6.174 -9.297 1.00 0.34 C ATOM 318 C ASP A 21 24.668 -6.805 -9.541 1.00 0.28 C ATOM 319 O ASP A 21 23.707 -6.076 -9.558 1.00 0.14 O ATOM 320 CB ASP A 21 26.969 -6.499 -10.507 1.00 0.56 C ATOM 321 CG ASP A 21 28.430 -6.066 -10.345 1.00 0.88 C ATOM 322 OD1 ASP A 21 28.954 -6.120 -9.244 1.00 2.01 O ATOM 323 OD2 ASP A 21 28.949 -5.713 -11.386 1.00 2.69 O ATOM 0 H ASP A 21 27.663 -6.802 -8.063 1.00 0.30 H new ATOM 0 HA ASP A 21 25.906 -5.096 -9.204 1.00 0.34 H new ATOM 0 HB2 ASP A 21 26.944 -7.574 -10.685 1.00 0.56 H new ATOM 0 HB3 ASP A 21 26.562 -6.019 -11.397 1.00 0.56 H new ATOM 328 N GLU A 22 24.585 -8.096 -9.728 1.00 0.48 N ATOM 329 CA GLU A 22 23.236 -8.720 -9.959 1.00 0.54 C ATOM 330 C GLU A 22 22.128 -8.085 -9.057 1.00 0.38 C ATOM 331 O GLU A 22 21.049 -7.727 -9.509 1.00 0.80 O ATOM 332 CB GLU A 22 23.313 -10.267 -9.674 1.00 0.77 C ATOM 333 CG GLU A 22 24.058 -11.081 -10.792 1.00 1.27 C ATOM 334 CD GLU A 22 24.008 -12.598 -10.508 1.00 1.74 C ATOM 335 OE1 GLU A 22 22.890 -13.075 -10.384 1.00 2.09 O ATOM 336 OE2 GLU A 22 25.067 -13.204 -10.437 1.00 1.77 O ATOM 0 H GLU A 22 25.375 -8.741 -9.732 1.00 0.48 H new ATOM 0 HA GLU A 22 22.966 -8.536 -10.999 1.00 0.54 H new ATOM 0 HB2 GLU A 22 23.820 -10.427 -8.722 1.00 0.77 H new ATOM 0 HB3 GLU A 22 22.301 -10.658 -9.566 1.00 0.77 H new ATOM 0 HG2 GLU A 22 23.602 -10.875 -11.760 1.00 1.27 H new ATOM 0 HG3 GLU A 22 25.096 -10.754 -10.853 1.00 1.27 H new ATOM 343 N GLU A 23 22.445 -7.950 -7.790 1.00 0.24 N ATOM 344 CA GLU A 23 21.480 -7.355 -6.815 1.00 0.24 C ATOM 345 C GLU A 23 21.262 -5.883 -7.264 1.00 0.25 C ATOM 346 O GLU A 23 20.134 -5.475 -7.506 1.00 0.25 O ATOM 347 CB GLU A 23 22.130 -7.505 -5.360 1.00 0.38 C ATOM 348 CG GLU A 23 22.314 -9.033 -4.953 1.00 0.44 C ATOM 349 CD GLU A 23 22.945 -9.262 -3.545 1.00 1.05 C ATOM 350 OE1 GLU A 23 23.863 -8.541 -3.192 1.00 1.01 O ATOM 351 OE2 GLU A 23 22.471 -10.173 -2.878 1.00 1.98 O ATOM 0 H GLU A 23 23.340 -8.230 -7.388 1.00 0.24 H new ATOM 0 HA GLU A 23 20.505 -7.842 -6.781 1.00 0.24 H new ATOM 0 HB2 GLU A 23 23.098 -7.004 -5.340 1.00 0.38 H new ATOM 0 HB3 GLU A 23 21.498 -7.006 -4.626 1.00 0.38 H new ATOM 0 HG2 GLU A 23 21.341 -9.523 -4.984 1.00 0.44 H new ATOM 0 HG3 GLU A 23 22.940 -9.521 -5.700 1.00 0.44 H new ATOM 358 N MET A 24 22.354 -5.153 -7.341 1.00 0.28 N ATOM 359 CA MET A 24 22.354 -3.705 -7.770 1.00 0.31 C ATOM 360 C MET A 24 21.399 -3.622 -8.976 1.00 0.35 C ATOM 361 O MET A 24 20.396 -2.946 -8.962 1.00 0.59 O ATOM 362 CB MET A 24 23.826 -3.371 -8.106 1.00 0.24 C ATOM 363 CG MET A 24 24.708 -3.422 -6.835 1.00 0.47 C ATOM 364 SD MET A 24 24.521 -2.047 -5.676 1.00 0.64 S ATOM 365 CE MET A 24 25.309 -0.785 -6.700 1.00 0.84 C ATOM 0 H MET A 24 23.282 -5.513 -7.116 1.00 0.28 H new ATOM 0 HA MET A 24 22.009 -2.988 -7.025 1.00 0.31 H new ATOM 0 HB2 MET A 24 24.204 -4.078 -8.844 1.00 0.24 H new ATOM 0 HB3 MET A 24 23.885 -2.379 -8.555 1.00 0.24 H new ATOM 0 HG2 MET A 24 24.491 -4.349 -6.304 1.00 0.47 H new ATOM 0 HG3 MET A 24 25.752 -3.469 -7.144 1.00 0.47 H new ATOM 0 HE1 MET A 24 25.658 0.031 -6.067 1.00 0.84 H new ATOM 0 HE2 MET A 24 26.156 -1.222 -7.229 1.00 0.84 H new ATOM 0 HE3 MET A 24 24.589 -0.401 -7.423 1.00 0.84 H new ATOM 375 N LEU A 25 21.802 -4.328 -9.990 1.00 0.23 N ATOM 376 CA LEU A 25 21.130 -4.500 -11.284 1.00 0.42 C ATOM 377 C LEU A 25 19.636 -4.733 -11.086 1.00 0.43 C ATOM 378 O LEU A 25 18.835 -4.060 -11.699 1.00 0.66 O ATOM 379 CB LEU A 25 21.808 -5.692 -11.954 1.00 0.49 C ATOM 380 CG LEU A 25 23.173 -5.413 -12.601 1.00 0.64 C ATOM 381 CD1 LEU A 25 23.471 -6.620 -13.475 1.00 0.84 C ATOM 382 CD2 LEU A 25 23.142 -4.165 -13.503 1.00 0.90 C ATOM 0 H LEU A 25 22.678 -4.849 -9.950 1.00 0.23 H new ATOM 0 HA LEU A 25 21.215 -3.610 -11.908 1.00 0.42 H new ATOM 0 HB2 LEU A 25 21.935 -6.478 -11.210 1.00 0.49 H new ATOM 0 HB3 LEU A 25 21.138 -6.083 -12.720 1.00 0.49 H new ATOM 0 HG LEU A 25 23.920 -5.240 -11.826 1.00 0.64 H new ATOM 0 HD11 LEU A 25 24.434 -6.484 -13.967 1.00 0.84 H new ATOM 0 HD12 LEU A 25 23.502 -7.518 -12.857 1.00 0.84 H new ATOM 0 HD13 LEU A 25 22.690 -6.725 -14.229 1.00 0.84 H new ATOM 0 HD21 LEU A 25 24.128 -4.007 -13.939 1.00 0.90 H new ATOM 0 HD22 LEU A 25 22.412 -4.310 -14.300 1.00 0.90 H new ATOM 0 HD23 LEU A 25 22.863 -3.294 -12.910 1.00 0.90 H new ATOM 394 N PHE A 26 19.305 -5.668 -10.229 1.00 0.26 N ATOM 395 CA PHE A 26 17.865 -5.983 -9.967 1.00 0.29 C ATOM 396 C PHE A 26 17.207 -4.701 -9.435 1.00 0.20 C ATOM 397 O PHE A 26 16.222 -4.228 -9.959 1.00 0.31 O ATOM 398 CB PHE A 26 17.815 -7.126 -8.940 1.00 0.33 C ATOM 399 CG PHE A 26 16.376 -7.637 -8.756 1.00 0.48 C ATOM 400 CD1 PHE A 26 15.367 -6.797 -8.326 1.00 2.28 C ATOM 401 CD2 PHE A 26 16.072 -8.959 -9.021 1.00 2.48 C ATOM 402 CE1 PHE A 26 14.084 -7.269 -8.168 1.00 2.20 C ATOM 403 CE2 PHE A 26 14.782 -9.430 -8.861 1.00 2.63 C ATOM 404 CZ PHE A 26 13.783 -8.584 -8.433 1.00 0.82 C ATOM 0 H PHE A 26 19.972 -6.228 -9.698 1.00 0.26 H new ATOM 0 HA PHE A 26 17.331 -6.304 -10.861 1.00 0.29 H new ATOM 0 HB2 PHE A 26 18.456 -7.944 -9.269 1.00 0.33 H new ATOM 0 HB3 PHE A 26 18.207 -6.779 -7.984 1.00 0.33 H new ATOM 0 HD1 PHE A 26 15.587 -5.761 -8.112 1.00 2.28 H new ATOM 0 HD2 PHE A 26 16.849 -9.630 -9.356 1.00 2.48 H new ATOM 0 HE1 PHE A 26 13.306 -6.600 -7.832 1.00 2.20 H new ATOM 0 HE2 PHE A 26 14.557 -10.465 -9.072 1.00 2.63 H new ATOM 0 HZ PHE A 26 12.775 -8.950 -8.307 1.00 0.82 H new ATOM 414 N ILE A 27 17.761 -4.152 -8.393 1.00 0.08 N ATOM 415 CA ILE A 27 17.175 -2.888 -7.818 1.00 0.11 C ATOM 416 C ILE A 27 17.062 -1.804 -8.905 1.00 0.10 C ATOM 417 O ILE A 27 16.005 -1.243 -9.114 1.00 0.41 O ATOM 418 CB ILE A 27 18.097 -2.524 -6.641 1.00 0.23 C ATOM 419 CG1 ILE A 27 17.682 -3.385 -5.435 1.00 0.33 C ATOM 420 CG2 ILE A 27 18.113 -1.039 -6.273 1.00 0.28 C ATOM 421 CD1 ILE A 27 16.268 -3.023 -4.904 1.00 0.37 C ATOM 0 H ILE A 27 18.585 -4.511 -7.911 1.00 0.08 H new ATOM 0 HA ILE A 27 16.153 -3.002 -7.457 1.00 0.11 H new ATOM 0 HB ILE A 27 19.121 -2.732 -6.950 1.00 0.23 H new ATOM 0 HG12 ILE A 27 17.701 -4.437 -5.720 1.00 0.33 H new ATOM 0 HG13 ILE A 27 18.411 -3.258 -4.634 1.00 0.33 H new ATOM 0 HG21 ILE A 27 18.790 -0.879 -5.434 1.00 0.28 H new ATOM 0 HG22 ILE A 27 18.452 -0.456 -7.129 1.00 0.28 H new ATOM 0 HG23 ILE A 27 17.108 -0.723 -5.994 1.00 0.28 H new ATOM 0 HD11 ILE A 27 16.025 -3.660 -4.054 1.00 0.37 H new ATOM 0 HD12 ILE A 27 16.253 -1.979 -4.591 1.00 0.37 H new ATOM 0 HD13 ILE A 27 15.533 -3.176 -5.694 1.00 0.37 H new ATOM 433 N TYR A 28 18.136 -1.523 -9.588 1.00 0.20 N ATOM 434 CA TYR A 28 18.105 -0.493 -10.673 1.00 0.19 C ATOM 435 C TYR A 28 17.029 -0.860 -11.712 1.00 0.06 C ATOM 436 O TYR A 28 16.142 -0.071 -11.962 1.00 0.11 O ATOM 437 CB TYR A 28 19.497 -0.442 -11.304 1.00 0.41 C ATOM 438 CG TYR A 28 19.524 0.668 -12.354 1.00 0.53 C ATOM 439 CD1 TYR A 28 19.710 1.971 -11.943 1.00 2.54 C ATOM 440 CD2 TYR A 28 19.358 0.401 -13.704 1.00 2.33 C ATOM 441 CE1 TYR A 28 19.729 2.989 -12.870 1.00 2.52 C ATOM 442 CE2 TYR A 28 19.379 1.435 -14.617 1.00 2.48 C ATOM 443 CZ TYR A 28 19.563 2.723 -14.202 1.00 0.99 C ATOM 444 OH TYR A 28 19.575 3.753 -15.109 1.00 1.26 O ATOM 0 H TYR A 28 19.044 -1.965 -9.442 1.00 0.20 H new ATOM 0 HA TYR A 28 17.850 0.489 -10.275 1.00 0.19 H new ATOM 0 HB2 TYR A 28 20.251 -0.256 -10.539 1.00 0.41 H new ATOM 0 HB3 TYR A 28 19.738 -1.401 -11.763 1.00 0.41 H new ATOM 0 HD1 TYR A 28 19.841 2.193 -10.894 1.00 2.54 H new ATOM 0 HD2 TYR A 28 19.212 -0.615 -14.041 1.00 2.33 H new ATOM 0 HE1 TYR A 28 19.876 4.008 -12.543 1.00 2.52 H new ATOM 0 HE2 TYR A 28 19.249 1.224 -15.668 1.00 2.48 H new ATOM 0 HH TYR A 28 19.445 3.395 -16.012 1.00 1.26 H new ATOM 454 N SER A 29 17.127 -2.030 -12.286 1.00 0.13 N ATOM 455 CA SER A 29 16.152 -2.539 -13.321 1.00 0.22 C ATOM 456 C SER A 29 14.708 -2.362 -12.848 1.00 0.12 C ATOM 457 O SER A 29 13.896 -1.682 -13.446 1.00 0.12 O ATOM 458 CB SER A 29 16.429 -4.057 -13.583 1.00 0.42 C ATOM 459 OG SER A 29 16.314 -4.694 -12.310 1.00 0.43 O ATOM 0 H SER A 29 17.876 -2.690 -12.075 1.00 0.13 H new ATOM 0 HA SER A 29 16.287 -1.966 -14.238 1.00 0.22 H new ATOM 0 HB2 SER A 29 15.713 -4.469 -14.294 1.00 0.42 H new ATOM 0 HB3 SER A 29 17.422 -4.207 -14.008 1.00 0.42 H new ATOM 0 HG SER A 29 16.740 -4.137 -11.626 1.00 0.43 H new ATOM 465 N HIS A 30 14.427 -3.001 -11.754 1.00 0.14 N ATOM 466 CA HIS A 30 13.074 -2.941 -11.144 1.00 0.16 C ATOM 467 C HIS A 30 12.682 -1.498 -10.890 1.00 0.31 C ATOM 468 O HIS A 30 11.606 -1.120 -11.300 1.00 0.47 O ATOM 469 CB HIS A 30 13.168 -3.797 -9.907 1.00 0.10 C ATOM 470 CG HIS A 30 13.167 -5.210 -10.476 1.00 0.27 C ATOM 471 ND1 HIS A 30 14.108 -5.784 -11.150 1.00 2.45 N ATOM 472 CD2 HIS A 30 12.173 -6.147 -10.411 1.00 1.76 C ATOM 473 CE1 HIS A 30 13.733 -6.981 -11.480 1.00 2.00 C ATOM 474 NE2 HIS A 30 12.530 -7.250 -11.038 1.00 0.82 N ATOM 0 H HIS A 30 15.095 -3.578 -11.243 1.00 0.14 H new ATOM 0 HA HIS A 30 12.280 -3.322 -11.786 1.00 0.16 H new ATOM 0 HB2 HIS A 30 14.075 -3.590 -9.339 1.00 0.10 H new ATOM 0 HB3 HIS A 30 12.326 -3.631 -9.235 1.00 0.10 H new ATOM 0 HD1 HIS A 30 15.006 -5.362 -11.386 1.00 2.45 H new ATOM 0 HD2 HIS A 30 11.225 -6.003 -9.914 1.00 1.76 H new ATOM 0 HE1 HIS A 30 14.338 -7.671 -12.049 1.00 2.00 H new ATOM 482 N TYR A 31 13.518 -0.745 -10.231 1.00 0.28 N ATOM 483 CA TYR A 31 13.241 0.695 -9.950 1.00 0.34 C ATOM 484 C TYR A 31 12.839 1.416 -11.269 1.00 0.45 C ATOM 485 O TYR A 31 11.783 2.004 -11.401 1.00 0.51 O ATOM 486 CB TYR A 31 14.529 1.243 -9.353 1.00 0.44 C ATOM 487 CG TYR A 31 14.412 2.680 -8.865 1.00 0.49 C ATOM 488 CD1 TYR A 31 13.574 3.051 -7.835 1.00 0.50 C ATOM 489 CD2 TYR A 31 15.179 3.631 -9.478 1.00 0.65 C ATOM 490 CE1 TYR A 31 13.516 4.377 -7.437 1.00 0.66 C ATOM 491 CE2 TYR A 31 15.122 4.944 -9.082 1.00 0.76 C ATOM 492 CZ TYR A 31 14.298 5.323 -8.067 1.00 0.78 C ATOM 493 OH TYR A 31 14.292 6.655 -7.721 1.00 1.04 O ATOM 0 H TYR A 31 14.410 -1.078 -9.864 1.00 0.28 H new ATOM 0 HA TYR A 31 12.411 0.846 -9.260 1.00 0.34 H new ATOM 0 HB2 TYR A 31 14.832 0.609 -8.520 1.00 0.44 H new ATOM 0 HB3 TYR A 31 15.320 1.186 -10.101 1.00 0.44 H new ATOM 0 HD1 TYR A 31 12.964 2.310 -7.340 1.00 0.50 H new ATOM 0 HD2 TYR A 31 15.838 3.346 -10.284 1.00 0.65 H new ATOM 0 HE1 TYR A 31 12.858 4.670 -6.633 1.00 0.66 H new ATOM 0 HE2 TYR A 31 15.735 5.681 -9.579 1.00 0.76 H new ATOM 0 HH TYR A 31 14.919 7.144 -8.293 1.00 1.04 H new ATOM 503 N LYS A 32 13.728 1.340 -12.221 1.00 0.47 N ATOM 504 CA LYS A 32 13.500 1.982 -13.558 1.00 0.59 C ATOM 505 C LYS A 32 12.133 1.628 -14.188 1.00 0.63 C ATOM 506 O LYS A 32 11.424 2.462 -14.722 1.00 0.97 O ATOM 507 CB LYS A 32 14.659 1.537 -14.402 1.00 0.61 C ATOM 508 CG LYS A 32 15.956 2.195 -13.908 1.00 1.21 C ATOM 509 CD LYS A 32 15.993 3.711 -14.297 1.00 1.37 C ATOM 510 CE LYS A 32 16.949 4.379 -13.324 1.00 1.54 C ATOM 511 NZ LYS A 32 17.797 5.380 -14.030 1.00 2.69 N ATOM 0 H LYS A 32 14.620 0.853 -12.132 1.00 0.47 H new ATOM 0 HA LYS A 32 13.455 3.067 -13.468 1.00 0.59 H new ATOM 0 HB2 LYS A 32 14.754 0.452 -14.360 1.00 0.61 H new ATOM 0 HB3 LYS A 32 14.482 1.801 -15.445 1.00 0.61 H new ATOM 0 HG2 LYS A 32 16.033 2.091 -12.826 1.00 1.21 H new ATOM 0 HG3 LYS A 32 16.816 1.683 -14.339 1.00 1.21 H new ATOM 0 HD2 LYS A 32 16.332 3.840 -15.325 1.00 1.37 H new ATOM 0 HD3 LYS A 32 14.999 4.154 -14.231 1.00 1.37 H new ATOM 0 HE2 LYS A 32 16.386 4.867 -12.529 1.00 1.54 H new ATOM 0 HE3 LYS A 32 17.581 3.627 -12.852 1.00 1.54 H new ATOM 0 HZ1 LYS A 32 17.994 6.179 -13.394 1.00 2.69 H new ATOM 0 HZ2 LYS A 32 18.693 4.936 -14.316 1.00 2.69 H new ATOM 0 HZ3 LYS A 32 17.297 5.725 -14.874 1.00 2.69 H new ATOM 525 N GLN A 33 11.791 0.370 -14.145 1.00 0.47 N ATOM 526 CA GLN A 33 10.477 -0.007 -14.714 1.00 0.51 C ATOM 527 C GLN A 33 9.418 0.559 -13.742 1.00 0.36 C ATOM 528 O GLN A 33 8.629 1.395 -14.137 1.00 0.30 O ATOM 529 CB GLN A 33 10.417 -1.533 -14.805 1.00 0.71 C ATOM 530 CG GLN A 33 9.956 -1.808 -16.237 1.00 0.87 C ATOM 531 CD GLN A 33 8.485 -1.418 -16.522 1.00 0.84 C ATOM 532 OE1 GLN A 33 7.851 -0.737 -15.752 1.00 0.98 O ATOM 533 NE2 GLN A 33 7.895 -1.822 -17.603 1.00 0.87 N ATOM 0 H GLN A 33 12.348 -0.389 -13.753 1.00 0.47 H new ATOM 0 HA GLN A 33 10.306 0.388 -15.715 1.00 0.51 H new ATOM 0 HB2 GLN A 33 11.390 -1.982 -14.607 1.00 0.71 H new ATOM 0 HB3 GLN A 33 9.721 -1.948 -14.076 1.00 0.71 H new ATOM 0 HG2 GLN A 33 10.603 -1.264 -16.925 1.00 0.87 H new ATOM 0 HG3 GLN A 33 10.085 -2.869 -16.450 1.00 0.87 H new ATOM 0 HE21 GLN A 33 8.401 -2.399 -18.275 1.00 0.87 H new ATOM 0 HE22 GLN A 33 6.925 -1.563 -17.782 1.00 0.87 H new ATOM 542 N ALA A 34 9.442 0.110 -12.515 1.00 0.36 N ATOM 543 CA ALA A 34 8.476 0.576 -11.485 1.00 0.23 C ATOM 544 C ALA A 34 8.213 2.114 -11.546 1.00 0.23 C ATOM 545 O ALA A 34 7.134 2.556 -11.209 1.00 0.26 O ATOM 546 CB ALA A 34 9.082 0.124 -10.158 1.00 0.23 C ATOM 0 H ALA A 34 10.112 -0.581 -12.178 1.00 0.36 H new ATOM 0 HA ALA A 34 7.484 0.152 -11.640 1.00 0.23 H new ATOM 0 HB1 ALA A 34 8.431 0.428 -9.338 1.00 0.23 H new ATOM 0 HB2 ALA A 34 9.185 -0.961 -10.156 1.00 0.23 H new ATOM 0 HB3 ALA A 34 10.063 0.582 -10.031 1.00 0.23 H new ATOM 552 N THR A 35 9.191 2.880 -11.984 1.00 0.20 N ATOM 553 CA THR A 35 9.084 4.395 -12.093 1.00 0.25 C ATOM 554 C THR A 35 9.134 4.981 -13.528 1.00 0.36 C ATOM 555 O THR A 35 8.235 5.718 -13.875 1.00 0.39 O ATOM 556 CB THR A 35 10.224 5.094 -11.322 1.00 0.14 C ATOM 557 OG1 THR A 35 11.377 4.655 -12.010 1.00 0.12 O ATOM 558 CG2 THR A 35 10.414 4.526 -9.952 1.00 0.20 C ATOM 0 H THR A 35 10.094 2.512 -12.283 1.00 0.20 H new ATOM 0 HA THR A 35 8.095 4.588 -11.677 1.00 0.25 H new ATOM 0 HB THR A 35 10.032 6.165 -11.256 1.00 0.14 H new ATOM 0 HG1 THR A 35 11.614 3.753 -11.708 1.00 0.12 H new ATOM 0 HG21 THR A 35 11.227 5.051 -9.450 1.00 0.20 H new ATOM 0 HG22 THR A 35 9.495 4.646 -9.378 1.00 0.20 H new ATOM 0 HG23 THR A 35 10.658 3.466 -10.028 1.00 0.20 H new ATOM 566 N VAL A 36 10.117 4.668 -14.338 1.00 0.40 N ATOM 567 CA VAL A 36 10.199 5.231 -15.745 1.00 0.45 C ATOM 568 C VAL A 36 9.375 4.468 -16.808 1.00 0.74 C ATOM 569 O VAL A 36 8.598 5.080 -17.518 1.00 0.94 O ATOM 570 CB VAL A 36 11.717 5.266 -16.199 1.00 0.46 C ATOM 571 CG1 VAL A 36 11.808 5.882 -17.626 1.00 0.66 C ATOM 572 CG2 VAL A 36 12.510 6.178 -15.236 1.00 0.37 C ATOM 0 H VAL A 36 10.881 4.039 -14.090 1.00 0.40 H new ATOM 0 HA VAL A 36 9.760 6.227 -15.690 1.00 0.45 H new ATOM 0 HB VAL A 36 12.122 4.254 -16.192 1.00 0.46 H new ATOM 0 HG11 VAL A 36 12.850 5.909 -17.945 1.00 0.66 H new ATOM 0 HG12 VAL A 36 11.231 5.273 -18.322 1.00 0.66 H new ATOM 0 HG13 VAL A 36 11.407 6.895 -17.611 1.00 0.66 H new ATOM 0 HG21 VAL A 36 13.556 6.208 -15.541 1.00 0.37 H new ATOM 0 HG22 VAL A 36 12.095 7.186 -15.265 1.00 0.37 H new ATOM 0 HG23 VAL A 36 12.439 5.785 -14.222 1.00 0.37 H new ATOM 582 N GLY A 37 9.566 3.175 -16.879 1.00 0.88 N ATOM 583 CA GLY A 37 8.824 2.311 -17.878 1.00 1.24 C ATOM 584 C GLY A 37 9.705 1.709 -18.990 1.00 1.14 C ATOM 585 O GLY A 37 10.881 1.455 -18.805 1.00 1.53 O ATOM 0 H GLY A 37 10.214 2.663 -16.281 1.00 0.88 H new ATOM 0 HA2 GLY A 37 8.334 1.498 -17.341 1.00 1.24 H new ATOM 0 HA3 GLY A 37 8.037 2.908 -18.340 1.00 1.24 H new ATOM 589 N ASP A 38 9.101 1.495 -20.125 1.00 0.92 N ATOM 590 CA ASP A 38 9.803 0.919 -21.304 1.00 0.93 C ATOM 591 C ASP A 38 11.066 1.672 -21.794 1.00 1.62 C ATOM 592 O ASP A 38 10.975 2.485 -22.694 1.00 3.60 O ATOM 593 CB ASP A 38 8.721 0.800 -22.433 1.00 1.46 C ATOM 594 CG ASP A 38 7.892 -0.457 -22.206 1.00 1.96 C ATOM 595 OD1 ASP A 38 7.426 -0.609 -21.093 1.00 1.50 O ATOM 596 OD2 ASP A 38 7.779 -1.208 -23.158 1.00 3.05 O ATOM 0 H ASP A 38 8.116 1.703 -20.288 1.00 0.92 H new ATOM 0 HA ASP A 38 10.222 -0.043 -21.010 1.00 0.93 H new ATOM 0 HB2 ASP A 38 8.077 1.680 -22.430 1.00 1.46 H new ATOM 0 HB3 ASP A 38 9.202 0.761 -23.410 1.00 1.46 H new ATOM 601 N ILE A 39 12.175 1.368 -21.161 1.00 0.53 N ATOM 602 CA ILE A 39 13.522 1.968 -21.474 1.00 0.77 C ATOM 603 C ILE A 39 13.530 2.711 -22.831 1.00 1.51 C ATOM 604 O ILE A 39 13.624 2.129 -23.893 1.00 2.05 O ATOM 605 CB ILE A 39 14.559 0.755 -21.387 1.00 0.64 C ATOM 606 CG1 ILE A 39 16.001 1.289 -21.227 1.00 0.64 C ATOM 607 CG2 ILE A 39 14.591 -0.122 -22.666 1.00 1.04 C ATOM 608 CD1 ILE A 39 16.887 0.130 -20.677 1.00 0.48 C ATOM 0 H ILE A 39 12.205 0.692 -20.398 1.00 0.53 H new ATOM 0 HA ILE A 39 13.798 2.748 -20.765 1.00 0.77 H new ATOM 0 HB ILE A 39 14.225 0.163 -20.535 1.00 0.64 H new ATOM 0 HG12 ILE A 39 16.385 1.641 -22.184 1.00 0.64 H new ATOM 0 HG13 ILE A 39 16.019 2.139 -20.545 1.00 0.64 H new ATOM 0 HG21 ILE A 39 15.316 -0.926 -22.538 1.00 1.04 H new ATOM 0 HG22 ILE A 39 13.603 -0.549 -22.840 1.00 1.04 H new ATOM 0 HG23 ILE A 39 14.877 0.491 -23.521 1.00 1.04 H new ATOM 0 HD11 ILE A 39 17.911 0.482 -20.555 1.00 0.48 H new ATOM 0 HD12 ILE A 39 16.499 -0.199 -19.713 1.00 0.48 H new ATOM 0 HD13 ILE A 39 16.871 -0.704 -21.378 1.00 0.48 H new ATOM 620 N ASN A 40 13.438 4.016 -22.824 1.00 1.99 N ATOM 621 CA ASN A 40 13.435 4.743 -24.137 1.00 2.93 C ATOM 622 C ASN A 40 14.837 5.269 -24.493 1.00 3.38 C ATOM 623 O ASN A 40 15.003 6.254 -25.182 1.00 4.27 O ATOM 624 CB ASN A 40 12.382 5.867 -23.980 1.00 3.27 C ATOM 625 CG ASN A 40 12.674 6.804 -22.813 1.00 3.30 C ATOM 626 OD1 ASN A 40 11.794 7.426 -22.267 1.00 4.25 O ATOM 627 ND2 ASN A 40 13.873 6.982 -22.355 1.00 3.72 N ATOM 0 H ASN A 40 13.366 4.601 -21.991 1.00 1.99 H new ATOM 0 HA ASN A 40 13.175 4.090 -24.970 1.00 2.93 H new ATOM 0 HB2 ASN A 40 12.339 6.447 -24.902 1.00 3.27 H new ATOM 0 HB3 ASN A 40 11.399 5.418 -23.840 1.00 3.27 H new ATOM 0 HD21 ASN A 40 14.031 7.620 -21.575 1.00 3.72 H new ATOM 0 HD22 ASN A 40 14.658 6.485 -22.775 1.00 3.72 H new ATOM 634 N THR A 41 15.795 4.558 -23.961 1.00 2.75 N ATOM 635 CA THR A 41 17.249 4.869 -24.171 1.00 3.06 C ATOM 636 C THR A 41 17.888 3.622 -24.799 1.00 3.09 C ATOM 637 O THR A 41 17.338 2.548 -24.633 1.00 2.85 O ATOM 638 CB THR A 41 17.950 5.170 -22.806 1.00 2.83 C ATOM 639 OG1 THR A 41 18.266 3.901 -22.241 1.00 2.31 O ATOM 640 CG2 THR A 41 16.989 5.701 -21.733 1.00 2.68 C ATOM 0 H THR A 41 15.628 3.745 -23.368 1.00 2.75 H new ATOM 0 HA THR A 41 17.359 5.745 -24.811 1.00 3.06 H new ATOM 0 HB THR A 41 18.759 5.870 -23.017 1.00 2.83 H new ATOM 0 HG1 THR A 41 18.712 4.029 -21.378 1.00 2.31 H new ATOM 0 HG21 THR A 41 17.540 5.889 -20.812 1.00 2.68 H new ATOM 0 HG22 THR A 41 16.534 6.629 -22.079 1.00 2.68 H new ATOM 0 HG23 THR A 41 16.209 4.963 -21.545 1.00 2.68 H new ATOM 648 N GLU A 42 19.007 3.797 -25.464 1.00 3.68 N ATOM 649 CA GLU A 42 19.720 2.649 -26.125 1.00 3.85 C ATOM 650 C GLU A 42 20.900 2.141 -25.262 1.00 3.10 C ATOM 651 O GLU A 42 21.248 2.721 -24.249 1.00 2.74 O ATOM 652 CB GLU A 42 20.223 3.133 -27.536 1.00 5.07 C ATOM 653 CG GLU A 42 21.462 4.107 -27.451 1.00 5.46 C ATOM 654 CD GLU A 42 21.858 4.651 -28.844 1.00 6.48 C ATOM 655 OE1 GLU A 42 22.159 3.836 -29.702 1.00 7.45 O ATOM 656 OE2 GLU A 42 21.831 5.865 -28.960 1.00 6.90 O ATOM 0 H GLU A 42 19.465 4.701 -25.580 1.00 3.68 H new ATOM 0 HA GLU A 42 19.033 1.810 -26.239 1.00 3.85 H new ATOM 0 HB2 GLU A 42 20.492 2.264 -28.137 1.00 5.07 H new ATOM 0 HB3 GLU A 42 19.407 3.638 -28.053 1.00 5.07 H new ATOM 0 HG2 GLU A 42 21.226 4.940 -26.789 1.00 5.46 H new ATOM 0 HG3 GLU A 42 22.309 3.581 -27.011 1.00 5.46 H new ATOM 663 N ARG A 43 21.472 1.044 -25.673 1.00 3.07 N ATOM 664 CA ARG A 43 22.624 0.445 -24.936 1.00 2.29 C ATOM 665 C ARG A 43 23.847 1.416 -24.664 1.00 2.01 C ATOM 666 O ARG A 43 24.477 1.895 -25.583 1.00 1.85 O ATOM 667 CB ARG A 43 22.962 -0.788 -25.770 1.00 2.07 C ATOM 668 CG ARG A 43 23.646 -1.857 -24.905 1.00 1.58 C ATOM 669 CD ARG A 43 23.241 -3.222 -25.467 1.00 1.89 C ATOM 670 NE ARG A 43 23.556 -4.213 -24.391 1.00 1.93 N ATOM 671 CZ ARG A 43 24.221 -5.288 -24.546 1.00 1.67 C ATOM 672 NH1 ARG A 43 25.264 -5.297 -25.274 1.00 1.56 N ATOM 673 NH2 ARG A 43 23.765 -6.294 -23.929 1.00 2.29 N ATOM 0 H ARG A 43 21.185 0.526 -26.504 1.00 3.07 H new ATOM 0 HA ARG A 43 22.362 0.201 -23.907 1.00 2.29 H new ATOM 0 HB2 ARG A 43 22.052 -1.196 -26.210 1.00 2.07 H new ATOM 0 HB3 ARG A 43 23.617 -0.507 -26.595 1.00 2.07 H new ATOM 0 HG2 ARG A 43 24.729 -1.737 -24.930 1.00 1.58 H new ATOM 0 HG3 ARG A 43 23.339 -1.763 -23.863 1.00 1.58 H new ATOM 0 HD2 ARG A 43 22.181 -3.242 -25.720 1.00 1.89 H new ATOM 0 HD3 ARG A 43 23.791 -3.448 -26.381 1.00 1.89 H new ATOM 0 HE ARG A 43 23.209 -4.010 -23.454 1.00 1.93 H new ATOM 0 HH11 ARG A 43 25.571 -4.441 -25.736 1.00 1.56 H new ATOM 0 HH12 ARG A 43 25.794 -6.160 -25.395 1.00 1.56 H new ATOM 0 HH21 ARG A 43 22.923 -6.205 -23.360 1.00 2.29 H new ATOM 0 HH22 ARG A 43 24.239 -7.194 -24.000 1.00 2.29 H new ATOM 687 N PRO A 44 24.142 1.669 -23.400 1.00 2.16 N ATOM 688 CA PRO A 44 25.253 2.567 -22.918 1.00 2.19 C ATOM 689 C PRO A 44 26.619 2.650 -23.601 1.00 2.15 C ATOM 690 O PRO A 44 27.013 3.686 -24.089 1.00 3.45 O ATOM 691 CB PRO A 44 25.377 2.204 -21.398 1.00 2.26 C ATOM 692 CG PRO A 44 24.526 0.950 -21.244 1.00 3.16 C ATOM 693 CD PRO A 44 23.434 1.068 -22.252 1.00 2.60 C ATOM 0 HA PRO A 44 24.945 3.578 -23.184 1.00 2.19 H new ATOM 0 HB2 PRO A 44 26.413 2.019 -21.116 1.00 2.26 H new ATOM 0 HB3 PRO A 44 25.013 3.013 -20.764 1.00 2.26 H new ATOM 0 HG2 PRO A 44 25.120 0.052 -21.415 1.00 3.16 H new ATOM 0 HG3 PRO A 44 24.120 0.876 -20.235 1.00 3.16 H new ATOM 0 HD2 PRO A 44 23.002 0.099 -22.501 1.00 2.60 H new ATOM 0 HD3 PRO A 44 22.619 1.700 -21.899 1.00 2.60 H new ATOM 701 N GLY A 45 27.308 1.553 -23.597 1.00 2.50 N ATOM 702 CA GLY A 45 28.681 1.473 -24.228 1.00 2.19 C ATOM 703 C GLY A 45 29.669 2.559 -23.738 1.00 2.79 C ATOM 704 O GLY A 45 30.395 3.138 -24.516 1.00 3.77 O ATOM 0 H GLY A 45 26.986 0.680 -23.178 1.00 2.50 H new ATOM 0 HA2 GLY A 45 29.107 0.491 -24.022 1.00 2.19 H new ATOM 0 HA3 GLY A 45 28.577 1.554 -25.310 1.00 2.19 H new ATOM 708 N MET A 46 29.635 2.782 -22.447 1.00 2.91 N ATOM 709 CA MET A 46 30.525 3.794 -21.775 1.00 3.65 C ATOM 710 C MET A 46 31.767 3.127 -21.151 1.00 3.06 C ATOM 711 O MET A 46 32.869 3.577 -21.361 1.00 3.95 O ATOM 712 CB MET A 46 29.673 4.519 -20.721 1.00 4.57 C ATOM 713 CG MET A 46 28.730 5.497 -21.452 1.00 5.62 C ATOM 714 SD MET A 46 29.516 6.854 -22.361 1.00 3.64 S ATOM 715 CE MET A 46 29.553 6.161 -24.035 1.00 4.11 C ATOM 0 H MET A 46 29.009 2.292 -21.808 1.00 2.91 H new ATOM 0 HA MET A 46 30.909 4.509 -22.503 1.00 3.65 H new ATOM 0 HB2 MET A 46 29.097 3.800 -20.138 1.00 4.57 H new ATOM 0 HB3 MET A 46 30.312 5.058 -20.021 1.00 4.57 H new ATOM 0 HG2 MET A 46 28.122 4.925 -22.153 1.00 5.62 H new ATOM 0 HG3 MET A 46 28.050 5.928 -20.717 1.00 5.62 H new ATOM 0 HE1 MET A 46 30.575 5.882 -24.291 1.00 4.11 H new ATOM 0 HE2 MET A 46 28.915 5.279 -24.078 1.00 4.11 H new ATOM 0 HE3 MET A 46 29.192 6.905 -24.745 1.00 4.11 H new ATOM 725 N LEU A 47 31.572 2.078 -20.401 1.00 1.98 N ATOM 726 CA LEU A 47 32.743 1.364 -19.763 1.00 2.04 C ATOM 727 C LEU A 47 32.721 -0.045 -20.382 1.00 2.00 C ATOM 728 O LEU A 47 33.707 -0.528 -20.889 1.00 2.74 O ATOM 729 CB LEU A 47 32.588 1.245 -18.211 1.00 1.49 C ATOM 730 CG LEU A 47 32.664 2.591 -17.435 1.00 2.08 C ATOM 731 CD1 LEU A 47 33.748 3.528 -17.994 1.00 4.29 C ATOM 732 CD2 LEU A 47 31.311 3.297 -17.390 1.00 3.01 C ATOM 0 H LEU A 47 30.658 1.675 -20.195 1.00 1.98 H new ATOM 0 HA LEU A 47 33.671 1.907 -19.939 1.00 2.04 H new ATOM 0 HB2 LEU A 47 31.631 0.771 -17.992 1.00 1.49 H new ATOM 0 HB3 LEU A 47 33.366 0.581 -17.834 1.00 1.49 H new ATOM 0 HG LEU A 47 32.946 2.338 -16.413 1.00 2.08 H new ATOM 0 HD11 LEU A 47 33.761 4.454 -17.418 1.00 4.29 H new ATOM 0 HD12 LEU A 47 34.721 3.042 -17.922 1.00 4.29 H new ATOM 0 HD13 LEU A 47 33.531 3.753 -19.038 1.00 4.29 H new ATOM 0 HD21 LEU A 47 31.407 4.233 -16.839 1.00 3.01 H new ATOM 0 HD22 LEU A 47 30.976 3.507 -18.406 1.00 3.01 H new ATOM 0 HD23 LEU A 47 30.583 2.656 -16.893 1.00 3.01 H new ATOM 744 N ASP A 48 31.531 -0.577 -20.259 1.00 1.43 N ATOM 745 CA ASP A 48 31.028 -1.908 -20.714 1.00 1.54 C ATOM 746 C ASP A 48 30.039 -2.425 -19.636 1.00 1.33 C ATOM 747 O ASP A 48 28.847 -2.456 -19.882 1.00 1.54 O ATOM 748 CB ASP A 48 32.180 -2.959 -20.875 1.00 1.61 C ATOM 749 CG ASP A 48 31.617 -4.098 -21.702 1.00 2.25 C ATOM 750 OD1 ASP A 48 31.717 -3.975 -22.911 1.00 1.42 O ATOM 751 OD2 ASP A 48 31.085 -5.027 -21.120 1.00 4.31 O ATOM 0 H ASP A 48 30.790 -0.055 -19.791 1.00 1.43 H new ATOM 0 HA ASP A 48 30.556 -1.786 -21.689 1.00 1.54 H new ATOM 0 HB2 ASP A 48 33.044 -2.514 -21.367 1.00 1.61 H new ATOM 0 HB3 ASP A 48 32.517 -3.317 -19.902 1.00 1.61 H new ATOM 756 N PHE A 49 30.563 -2.783 -18.487 1.00 1.07 N ATOM 757 CA PHE A 49 29.735 -3.313 -17.347 1.00 1.16 C ATOM 758 C PHE A 49 28.566 -2.413 -16.873 1.00 1.32 C ATOM 759 O PHE A 49 27.475 -2.511 -17.391 1.00 2.22 O ATOM 760 CB PHE A 49 30.771 -3.657 -16.166 1.00 1.41 C ATOM 761 CG PHE A 49 31.464 -2.437 -15.501 1.00 2.01 C ATOM 762 CD1 PHE A 49 32.447 -1.681 -16.116 1.00 3.92 C ATOM 763 CD2 PHE A 49 31.053 -2.076 -14.225 1.00 2.47 C ATOM 764 CE1 PHE A 49 32.992 -0.591 -15.463 1.00 4.43 C ATOM 765 CE2 PHE A 49 31.594 -0.992 -13.577 1.00 2.83 C ATOM 766 CZ PHE A 49 32.567 -0.245 -14.196 1.00 3.20 C ATOM 0 H PHE A 49 31.561 -2.729 -18.283 1.00 1.07 H new ATOM 0 HA PHE A 49 29.196 -4.194 -17.694 1.00 1.16 H new ATOM 0 HB2 PHE A 49 30.241 -4.216 -15.394 1.00 1.41 H new ATOM 0 HB3 PHE A 49 31.542 -4.317 -16.565 1.00 1.41 H new ATOM 0 HD1 PHE A 49 32.788 -1.943 -17.107 1.00 3.92 H new ATOM 0 HD2 PHE A 49 30.291 -2.660 -13.731 1.00 2.47 H new ATOM 0 HE1 PHE A 49 33.758 -0.005 -15.949 1.00 4.43 H new ATOM 0 HE2 PHE A 49 31.256 -0.728 -12.586 1.00 2.83 H new ATOM 0 HZ PHE A 49 32.997 0.609 -13.694 1.00 3.20 H new ATOM 776 N LYS A 50 28.807 -1.561 -15.915 1.00 0.72 N ATOM 777 CA LYS A 50 27.812 -0.606 -15.318 1.00 1.00 C ATOM 778 C LYS A 50 26.714 -0.218 -16.301 1.00 1.21 C ATOM 779 O LYS A 50 25.531 -0.293 -16.053 1.00 2.30 O ATOM 780 CB LYS A 50 28.629 0.618 -14.837 1.00 1.64 C ATOM 781 CG LYS A 50 27.734 1.857 -14.569 1.00 2.68 C ATOM 782 CD LYS A 50 28.601 2.978 -13.925 1.00 2.80 C ATOM 783 CE LYS A 50 28.269 4.379 -14.476 1.00 5.44 C ATOM 784 NZ LYS A 50 26.790 4.620 -14.360 1.00 6.64 N ATOM 0 H LYS A 50 29.729 -1.481 -15.486 1.00 0.72 H new ATOM 0 HA LYS A 50 27.280 -1.071 -14.488 1.00 1.00 H new ATOM 0 HB2 LYS A 50 29.167 0.357 -13.925 1.00 1.64 H new ATOM 0 HB3 LYS A 50 29.378 0.870 -15.588 1.00 1.64 H new ATOM 0 HG2 LYS A 50 27.292 2.211 -15.500 1.00 2.68 H new ATOM 0 HG3 LYS A 50 26.910 1.590 -13.907 1.00 2.68 H new ATOM 0 HD2 LYS A 50 28.451 2.972 -12.845 1.00 2.80 H new ATOM 0 HD3 LYS A 50 29.655 2.763 -14.102 1.00 2.80 H new ATOM 0 HE2 LYS A 50 28.818 5.140 -13.921 1.00 5.44 H new ATOM 0 HE3 LYS A 50 28.581 4.456 -15.517 1.00 5.44 H new ATOM 0 HZ1 LYS A 50 26.594 5.636 -14.469 1.00 6.64 H new ATOM 0 HZ2 LYS A 50 26.292 4.089 -15.103 1.00 6.64 H new ATOM 0 HZ3 LYS A 50 26.459 4.302 -13.427 1.00 6.64 H new ATOM 798 N GLY A 51 27.247 0.181 -17.413 1.00 0.90 N ATOM 799 CA GLY A 51 26.414 0.621 -18.553 1.00 0.87 C ATOM 800 C GLY A 51 25.625 -0.559 -19.105 1.00 0.53 C ATOM 801 O GLY A 51 24.479 -0.729 -18.735 1.00 0.77 O ATOM 0 H GLY A 51 28.252 0.221 -17.583 1.00 0.90 H new ATOM 0 HA2 GLY A 51 25.731 1.408 -18.233 1.00 0.87 H new ATOM 0 HA3 GLY A 51 27.046 1.045 -19.334 1.00 0.87 H new ATOM 805 N LYS A 52 26.207 -1.369 -19.956 1.00 0.42 N ATOM 806 CA LYS A 52 25.378 -2.505 -20.475 1.00 0.51 C ATOM 807 C LYS A 52 24.528 -3.239 -19.465 1.00 0.22 C ATOM 808 O LYS A 52 23.395 -3.489 -19.777 1.00 0.63 O ATOM 809 CB LYS A 52 26.291 -3.507 -21.159 1.00 0.82 C ATOM 810 CG LYS A 52 26.683 -2.949 -22.540 1.00 1.02 C ATOM 811 CD LYS A 52 28.113 -3.418 -22.850 1.00 0.64 C ATOM 812 CE LYS A 52 28.246 -4.970 -22.767 1.00 2.78 C ATOM 813 NZ LYS A 52 29.584 -5.406 -23.293 1.00 4.24 N ATOM 0 H LYS A 52 27.165 -1.304 -20.299 1.00 0.42 H new ATOM 0 HA LYS A 52 24.666 -2.038 -21.155 1.00 0.51 H new ATOM 0 HB2 LYS A 52 27.181 -3.682 -20.555 1.00 0.82 H new ATOM 0 HB3 LYS A 52 25.786 -4.467 -21.268 1.00 0.82 H new ATOM 0 HG2 LYS A 52 25.991 -3.302 -23.305 1.00 1.02 H new ATOM 0 HG3 LYS A 52 26.630 -1.860 -22.541 1.00 1.02 H new ATOM 0 HD2 LYS A 52 28.397 -3.082 -23.847 1.00 0.64 H new ATOM 0 HD3 LYS A 52 28.807 -2.956 -22.148 1.00 0.64 H new ATOM 0 HE2 LYS A 52 28.129 -5.297 -21.734 1.00 2.78 H new ATOM 0 HE3 LYS A 52 27.450 -5.442 -23.343 1.00 2.78 H new ATOM 0 HZ1 LYS A 52 29.447 -6.057 -24.092 1.00 4.24 H new ATOM 0 HZ2 LYS A 52 30.120 -4.574 -23.612 1.00 4.24 H new ATOM 0 HZ3 LYS A 52 30.113 -5.889 -22.539 1.00 4.24 H new ATOM 827 N ALA A 53 25.080 -3.502 -18.319 1.00 0.47 N ATOM 828 CA ALA A 53 24.366 -4.230 -17.266 1.00 0.78 C ATOM 829 C ALA A 53 23.200 -3.348 -16.790 1.00 0.87 C ATOM 830 O ALA A 53 22.080 -3.799 -16.929 1.00 0.84 O ATOM 831 CB ALA A 53 25.441 -4.541 -16.183 1.00 1.00 C ATOM 0 H ALA A 53 26.031 -3.228 -18.070 1.00 0.47 H new ATOM 0 HA ALA A 53 23.913 -5.172 -17.576 1.00 0.78 H new ATOM 0 HB1 ALA A 53 24.981 -5.087 -15.359 1.00 1.00 H new ATOM 0 HB2 ALA A 53 26.234 -5.147 -16.621 1.00 1.00 H new ATOM 0 HB3 ALA A 53 25.862 -3.607 -15.809 1.00 1.00 H new ATOM 837 N LYS A 54 23.418 -2.154 -16.271 1.00 1.03 N ATOM 838 CA LYS A 54 22.220 -1.388 -15.850 1.00 1.16 C ATOM 839 C LYS A 54 21.245 -1.169 -17.004 1.00 0.87 C ATOM 840 O LYS A 54 20.089 -0.917 -16.720 1.00 0.84 O ATOM 841 CB LYS A 54 22.674 -0.085 -15.310 1.00 1.53 C ATOM 842 CG LYS A 54 23.427 -0.338 -13.983 1.00 1.52 C ATOM 843 CD LYS A 54 23.830 1.018 -13.453 1.00 1.43 C ATOM 844 CE LYS A 54 22.561 1.798 -13.008 1.00 1.41 C ATOM 845 NZ LYS A 54 22.914 3.168 -12.550 1.00 2.23 N ATOM 0 H LYS A 54 24.324 -1.707 -16.131 1.00 1.03 H new ATOM 0 HA LYS A 54 21.685 -1.958 -15.090 1.00 1.16 H new ATOM 0 HB2 LYS A 54 23.326 0.415 -16.026 1.00 1.53 H new ATOM 0 HB3 LYS A 54 21.821 0.573 -15.142 1.00 1.53 H new ATOM 0 HG2 LYS A 54 22.790 -0.860 -13.269 1.00 1.52 H new ATOM 0 HG3 LYS A 54 24.303 -0.966 -14.147 1.00 1.52 H new ATOM 0 HD2 LYS A 54 24.513 0.903 -12.611 1.00 1.43 H new ATOM 0 HD3 LYS A 54 24.363 1.577 -14.222 1.00 1.43 H new ATOM 0 HE2 LYS A 54 21.856 1.858 -13.837 1.00 1.41 H new ATOM 0 HE3 LYS A 54 22.061 1.259 -12.203 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 22.047 3.730 -12.436 1.00 2.23 H new ATOM 0 HZ2 LYS A 54 23.413 3.112 -11.639 1.00 2.23 H new ATOM 0 HZ3 LYS A 54 23.530 3.622 -13.254 1.00 2.23 H new ATOM 859 N TRP A 55 21.678 -1.240 -18.248 1.00 0.79 N ATOM 860 CA TRP A 55 20.676 -1.030 -19.348 1.00 0.61 C ATOM 861 C TRP A 55 20.031 -2.405 -19.471 1.00 0.26 C ATOM 862 O TRP A 55 18.877 -2.533 -19.127 1.00 0.60 O ATOM 863 CB TRP A 55 21.382 -0.676 -20.640 1.00 0.89 C ATOM 864 CG TRP A 55 20.350 -0.067 -21.606 1.00 1.16 C ATOM 865 CD1 TRP A 55 19.922 1.230 -21.569 1.00 1.52 C ATOM 866 CD2 TRP A 55 19.713 -0.719 -22.604 1.00 1.28 C ATOM 867 NE1 TRP A 55 19.043 1.293 -22.557 1.00 1.74 N ATOM 868 CE2 TRP A 55 18.847 0.168 -23.242 1.00 1.69 C ATOM 869 CE3 TRP A 55 19.791 -2.053 -23.042 1.00 1.24 C ATOM 870 CZ2 TRP A 55 18.075 -0.287 -24.311 1.00 2.07 C ATOM 871 CZ3 TRP A 55 19.015 -2.493 -24.107 1.00 1.70 C ATOM 872 CH2 TRP A 55 18.154 -1.608 -24.744 1.00 2.09 C ATOM 0 H TRP A 55 22.638 -1.426 -18.540 1.00 0.79 H new ATOM 0 HA TRP A 55 19.969 -0.225 -19.147 1.00 0.61 H new ATOM 0 HB2 TRP A 55 22.188 0.033 -20.450 1.00 0.89 H new ATOM 0 HB3 TRP A 55 21.836 -1.564 -21.080 1.00 0.89 H new ATOM 0 HD1 TRP A 55 20.228 2.016 -20.895 1.00 1.52 H new ATOM 0 HE1 TRP A 55 18.544 2.154 -22.781 1.00 1.74 H new ATOM 0 HE3 TRP A 55 20.460 -2.741 -22.546 1.00 1.24 H new ATOM 0 HZ2 TRP A 55 17.405 0.397 -24.811 1.00 2.07 H new ATOM 0 HZ3 TRP A 55 19.081 -3.519 -24.438 1.00 1.70 H new ATOM 0 HH2 TRP A 55 17.548 -1.944 -25.572 1.00 2.09 H new ATOM 883 N ASP A 56 20.738 -3.390 -19.960 1.00 0.34 N ATOM 884 CA ASP A 56 20.224 -4.782 -20.106 1.00 0.33 C ATOM 885 C ASP A 56 19.275 -5.130 -18.972 1.00 0.36 C ATOM 886 O ASP A 56 18.112 -5.405 -19.187 1.00 0.45 O ATOM 887 CB ASP A 56 21.486 -5.664 -20.137 1.00 0.50 C ATOM 888 CG ASP A 56 21.945 -5.849 -21.551 1.00 0.97 C ATOM 889 OD1 ASP A 56 22.291 -4.850 -22.150 1.00 1.28 O ATOM 890 OD2 ASP A 56 21.949 -6.969 -22.019 1.00 2.79 O ATOM 0 H ASP A 56 21.700 -3.277 -20.280 1.00 0.34 H new ATOM 0 HA ASP A 56 19.632 -4.927 -21.010 1.00 0.33 H new ATOM 0 HB2 ASP A 56 22.277 -5.202 -19.546 1.00 0.50 H new ATOM 0 HB3 ASP A 56 21.274 -6.633 -19.685 1.00 0.50 H new ATOM 895 N ALA A 57 19.826 -5.081 -17.788 1.00 0.39 N ATOM 896 CA ALA A 57 19.052 -5.390 -16.564 1.00 0.46 C ATOM 897 C ALA A 57 17.724 -4.613 -16.574 1.00 0.53 C ATOM 898 O ALA A 57 16.686 -5.156 -16.251 1.00 0.36 O ATOM 899 CB ALA A 57 19.935 -5.021 -15.382 1.00 0.45 C ATOM 0 H ALA A 57 20.801 -4.834 -17.621 1.00 0.39 H new ATOM 0 HA ALA A 57 18.787 -6.445 -16.502 1.00 0.46 H new ATOM 0 HB1 ALA A 57 19.406 -5.232 -14.453 1.00 0.45 H new ATOM 0 HB2 ALA A 57 20.854 -5.607 -15.417 1.00 0.45 H new ATOM 0 HB3 ALA A 57 20.179 -3.960 -15.428 1.00 0.45 H new ATOM 905 N TRP A 58 17.741 -3.353 -16.939 1.00 0.77 N ATOM 906 CA TRP A 58 16.436 -2.621 -16.947 1.00 0.80 C ATOM 907 C TRP A 58 15.675 -2.956 -18.256 1.00 0.80 C ATOM 908 O TRP A 58 14.479 -3.151 -18.163 1.00 1.00 O ATOM 909 CB TRP A 58 16.704 -1.092 -16.807 1.00 0.67 C ATOM 910 CG TRP A 58 15.369 -0.328 -16.988 1.00 0.42 C ATOM 911 CD1 TRP A 58 14.119 -0.815 -16.714 1.00 0.63 C ATOM 912 CD2 TRP A 58 15.242 0.923 -17.479 1.00 0.21 C ATOM 913 NE1 TRP A 58 13.332 0.181 -17.070 1.00 0.28 N ATOM 914 CE2 TRP A 58 13.905 1.274 -17.545 1.00 0.25 C ATOM 915 CE3 TRP A 58 16.211 1.833 -17.873 1.00 0.56 C ATOM 916 CZ2 TRP A 58 13.536 2.532 -18.016 1.00 0.71 C ATOM 917 CZ3 TRP A 58 15.841 3.100 -18.345 1.00 1.02 C ATOM 918 CH2 TRP A 58 14.503 3.448 -18.419 1.00 1.11 C ATOM 0 H TRP A 58 18.563 -2.819 -17.220 1.00 0.77 H new ATOM 0 HA TRP A 58 15.815 -2.931 -16.106 1.00 0.80 H new ATOM 0 HB2 TRP A 58 17.134 -0.873 -15.830 1.00 0.67 H new ATOM 0 HB3 TRP A 58 17.428 -0.767 -17.554 1.00 0.67 H new ATOM 0 HD1 TRP A 58 13.845 -1.777 -16.307 1.00 0.63 H new ATOM 0 HE1 TRP A 58 12.318 0.111 -16.982 1.00 0.28 H new ATOM 0 HE3 TRP A 58 17.256 1.564 -17.816 1.00 0.56 H new ATOM 0 HZ2 TRP A 58 12.491 2.799 -18.069 1.00 0.71 H new ATOM 0 HZ3 TRP A 58 16.600 3.805 -18.651 1.00 1.02 H new ATOM 0 HH2 TRP A 58 14.212 4.421 -18.786 1.00 1.11 H new ATOM 929 N ASN A 59 16.286 -3.056 -19.413 1.00 0.61 N ATOM 930 CA ASN A 59 15.569 -3.379 -20.690 1.00 0.73 C ATOM 931 C ASN A 59 14.746 -4.644 -20.422 1.00 0.84 C ATOM 932 O ASN A 59 13.649 -4.761 -20.917 1.00 0.84 O ATOM 933 CB ASN A 59 16.604 -3.639 -21.824 1.00 0.57 C ATOM 934 CG ASN A 59 15.849 -3.830 -23.140 1.00 1.04 C ATOM 935 OD1 ASN A 59 15.331 -2.920 -23.748 1.00 0.78 O ATOM 936 ND2 ASN A 59 15.742 -5.015 -23.636 1.00 2.00 N ATOM 0 H ASN A 59 17.291 -2.922 -19.528 1.00 0.61 H new ATOM 0 HA ASN A 59 14.927 -2.556 -21.006 1.00 0.73 H new ATOM 0 HB2 ASN A 59 17.296 -2.801 -21.903 1.00 0.57 H new ATOM 0 HB3 ASN A 59 17.199 -4.524 -21.597 1.00 0.57 H new ATOM 0 HD21 ASN A 59 15.235 -5.158 -24.510 1.00 2.00 H new ATOM 0 HD22 ASN A 59 16.164 -5.809 -23.155 1.00 2.00 H new ATOM 943 N GLU A 60 15.296 -5.556 -19.663 1.00 0.89 N ATOM 944 CA GLU A 60 14.589 -6.833 -19.309 1.00 0.93 C ATOM 945 C GLU A 60 13.128 -6.682 -18.870 1.00 0.74 C ATOM 946 O GLU A 60 12.341 -7.602 -18.963 1.00 0.59 O ATOM 947 CB GLU A 60 15.377 -7.534 -18.167 1.00 1.12 C ATOM 948 CG GLU A 60 16.644 -8.250 -18.710 1.00 1.67 C ATOM 949 CD GLU A 60 16.290 -9.527 -19.478 1.00 1.89 C ATOM 950 OE1 GLU A 60 15.859 -10.464 -18.823 1.00 1.87 O ATOM 951 OE2 GLU A 60 16.479 -9.462 -20.680 1.00 4.08 O ATOM 0 H GLU A 60 16.230 -5.470 -19.262 1.00 0.89 H new ATOM 0 HA GLU A 60 14.560 -7.416 -20.229 1.00 0.93 H new ATOM 0 HB2 GLU A 60 15.666 -6.798 -17.417 1.00 1.12 H new ATOM 0 HB3 GLU A 60 14.732 -8.259 -17.670 1.00 1.12 H new ATOM 0 HG2 GLU A 60 17.192 -7.572 -19.364 1.00 1.67 H new ATOM 0 HG3 GLU A 60 17.306 -8.497 -17.880 1.00 1.67 H new ATOM 958 N LEU A 61 12.788 -5.517 -18.409 1.00 0.77 N ATOM 959 CA LEU A 61 11.409 -5.234 -17.932 1.00 0.64 C ATOM 960 C LEU A 61 10.663 -4.259 -18.872 1.00 0.63 C ATOM 961 O LEU A 61 9.607 -3.738 -18.553 1.00 0.73 O ATOM 962 CB LEU A 61 11.583 -4.661 -16.504 1.00 0.65 C ATOM 963 CG LEU A 61 12.589 -5.453 -15.642 1.00 0.77 C ATOM 964 CD1 LEU A 61 12.625 -4.819 -14.252 1.00 0.74 C ATOM 965 CD2 LEU A 61 12.130 -6.900 -15.499 1.00 0.93 C ATOM 0 H LEU A 61 13.427 -4.725 -18.340 1.00 0.77 H new ATOM 0 HA LEU A 61 10.791 -6.132 -17.925 1.00 0.64 H new ATOM 0 HB2 LEU A 61 11.914 -3.625 -16.575 1.00 0.65 H new ATOM 0 HB3 LEU A 61 10.615 -4.653 -16.004 1.00 0.65 H new ATOM 0 HG LEU A 61 13.572 -5.431 -16.113 1.00 0.77 H new ATOM 0 HD11 LEU A 61 13.330 -5.362 -13.623 1.00 0.74 H new ATOM 0 HD12 LEU A 61 12.939 -3.778 -14.335 1.00 0.74 H new ATOM 0 HD13 LEU A 61 11.632 -4.864 -13.806 1.00 0.74 H new ATOM 0 HD21 LEU A 61 12.846 -7.450 -14.889 1.00 0.93 H new ATOM 0 HD22 LEU A 61 11.151 -6.926 -15.020 1.00 0.93 H new ATOM 0 HD23 LEU A 61 12.064 -7.360 -16.485 1.00 0.93 H new ATOM 977 N LYS A 62 11.189 -4.012 -20.039 1.00 0.64 N ATOM 978 CA LYS A 62 10.539 -3.086 -21.002 1.00 0.80 C ATOM 979 C LYS A 62 9.288 -3.888 -21.432 1.00 1.47 C ATOM 980 O LYS A 62 9.411 -4.956 -22.000 1.00 3.57 O ATOM 981 CB LYS A 62 11.599 -2.840 -22.126 1.00 0.60 C ATOM 982 CG LYS A 62 11.200 -1.543 -22.852 1.00 0.68 C ATOM 983 CD LYS A 62 11.620 -1.532 -24.343 1.00 1.34 C ATOM 984 CE LYS A 62 10.679 -2.403 -25.167 1.00 1.97 C ATOM 985 NZ LYS A 62 9.311 -1.809 -25.067 1.00 2.16 N ATOM 0 H LYS A 62 12.061 -4.423 -20.371 1.00 0.64 H new ATOM 0 HA LYS A 62 10.232 -2.100 -20.653 1.00 0.80 H new ATOM 0 HB2 LYS A 62 12.598 -2.750 -21.700 1.00 0.60 H new ATOM 0 HB3 LYS A 62 11.623 -3.679 -22.822 1.00 0.60 H new ATOM 0 HG2 LYS A 62 10.120 -1.412 -22.783 1.00 0.68 H new ATOM 0 HG3 LYS A 62 11.657 -0.693 -22.345 1.00 0.68 H new ATOM 0 HD2 LYS A 62 11.607 -0.511 -24.723 1.00 1.34 H new ATOM 0 HD3 LYS A 62 12.643 -1.896 -24.442 1.00 1.34 H new ATOM 0 HE2 LYS A 62 11.005 -2.442 -26.206 1.00 1.97 H new ATOM 0 HE3 LYS A 62 10.680 -3.427 -24.794 1.00 1.97 H new ATOM 0 HZ1 LYS A 62 8.736 -2.124 -25.874 1.00 2.16 H new ATOM 0 HZ2 LYS A 62 8.862 -2.118 -24.181 1.00 2.16 H new ATOM 0 HZ3 LYS A 62 9.382 -0.771 -25.076 1.00 2.16 H new ATOM 999 N GLY A 63 8.128 -3.353 -21.176 1.00 0.74 N ATOM 1000 CA GLY A 63 6.860 -4.087 -21.537 1.00 0.81 C ATOM 1001 C GLY A 63 6.205 -4.731 -20.295 1.00 0.79 C ATOM 1002 O GLY A 63 5.283 -5.512 -20.423 1.00 0.82 O ATOM 0 H GLY A 63 7.992 -2.444 -20.735 1.00 0.74 H new ATOM 0 HA2 GLY A 63 6.158 -3.395 -22.002 1.00 0.81 H new ATOM 0 HA3 GLY A 63 7.082 -4.859 -22.274 1.00 0.81 H new ATOM 1006 N THR A 64 6.708 -4.396 -19.136 1.00 0.83 N ATOM 1007 CA THR A 64 6.146 -4.948 -17.855 1.00 0.91 C ATOM 1008 C THR A 64 5.141 -3.963 -17.254 1.00 0.92 C ATOM 1009 O THR A 64 5.121 -2.783 -17.556 1.00 0.87 O ATOM 1010 CB THR A 64 7.309 -5.191 -16.831 1.00 1.02 C ATOM 1011 OG1 THR A 64 7.772 -6.504 -17.084 1.00 1.60 O ATOM 1012 CG2 THR A 64 6.910 -5.320 -15.370 1.00 1.11 C ATOM 0 H THR A 64 7.493 -3.756 -19.015 1.00 0.83 H new ATOM 0 HA THR A 64 5.641 -5.890 -18.068 1.00 0.91 H new ATOM 0 HB THR A 64 7.979 -4.341 -16.959 1.00 1.02 H new ATOM 0 HG1 THR A 64 8.507 -6.716 -16.471 1.00 1.60 H new ATOM 0 HG21 THR A 64 7.800 -5.485 -14.763 1.00 1.11 H new ATOM 0 HG22 THR A 64 6.415 -4.405 -15.046 1.00 1.11 H new ATOM 0 HG23 THR A 64 6.229 -6.163 -15.252 1.00 1.11 H new ATOM 1020 N SER A 65 4.328 -4.506 -16.387 1.00 1.04 N ATOM 1021 CA SER A 65 3.295 -3.669 -15.705 1.00 1.13 C ATOM 1022 C SER A 65 4.009 -3.291 -14.425 1.00 1.16 C ATOM 1023 O SER A 65 4.195 -4.114 -13.552 1.00 1.52 O ATOM 1024 CB SER A 65 2.044 -4.456 -15.330 1.00 1.14 C ATOM 1025 OG SER A 65 1.526 -4.995 -16.548 1.00 3.48 O ATOM 0 H SER A 65 4.334 -5.491 -16.121 1.00 1.04 H new ATOM 0 HA SER A 65 2.955 -2.848 -16.336 1.00 1.13 H new ATOM 0 HB2 SER A 65 2.283 -5.251 -14.624 1.00 1.14 H new ATOM 0 HB3 SER A 65 1.310 -3.811 -14.847 1.00 1.14 H new ATOM 0 HG SER A 65 0.717 -5.514 -16.358 1.00 3.48 H new ATOM 1031 N LYS A 66 4.389 -2.048 -14.359 1.00 0.85 N ATOM 1032 CA LYS A 66 5.127 -1.458 -13.185 1.00 0.91 C ATOM 1033 C LYS A 66 4.939 -2.169 -11.855 1.00 0.83 C ATOM 1034 O LYS A 66 5.880 -2.531 -11.183 1.00 0.96 O ATOM 1035 CB LYS A 66 4.719 0.050 -13.080 1.00 0.73 C ATOM 1036 CG LYS A 66 5.374 0.832 -14.263 1.00 0.65 C ATOM 1037 CD LYS A 66 5.187 2.361 -14.037 1.00 0.62 C ATOM 1038 CE LYS A 66 6.076 3.160 -15.018 1.00 0.78 C ATOM 1039 NZ LYS A 66 5.880 4.637 -14.800 1.00 2.24 N ATOM 0 H LYS A 66 4.213 -1.376 -15.106 1.00 0.85 H new ATOM 0 HA LYS A 66 6.191 -1.584 -13.384 1.00 0.91 H new ATOM 0 HB2 LYS A 66 3.634 0.151 -13.116 1.00 0.73 H new ATOM 0 HB3 LYS A 66 5.047 0.464 -12.126 1.00 0.73 H new ATOM 0 HG2 LYS A 66 6.435 0.590 -14.331 1.00 0.65 H new ATOM 0 HG3 LYS A 66 4.918 0.534 -15.207 1.00 0.65 H new ATOM 0 HD2 LYS A 66 4.141 2.632 -14.180 1.00 0.62 H new ATOM 0 HD3 LYS A 66 5.445 2.618 -13.010 1.00 0.62 H new ATOM 0 HE2 LYS A 66 7.123 2.897 -14.870 1.00 0.78 H new ATOM 0 HE3 LYS A 66 5.824 2.899 -16.046 1.00 0.78 H new ATOM 0 HZ1 LYS A 66 5.710 5.103 -15.714 1.00 2.24 H new ATOM 0 HZ2 LYS A 66 5.063 4.790 -14.176 1.00 2.24 H new ATOM 0 HZ3 LYS A 66 6.732 5.039 -14.360 1.00 2.24 H new ATOM 1053 N GLU A 67 3.705 -2.327 -11.536 1.00 0.65 N ATOM 1054 CA GLU A 67 3.242 -2.993 -10.302 1.00 0.58 C ATOM 1055 C GLU A 67 4.090 -4.213 -9.930 1.00 0.50 C ATOM 1056 O GLU A 67 4.452 -4.414 -8.790 1.00 0.59 O ATOM 1057 CB GLU A 67 1.767 -3.293 -10.601 1.00 0.60 C ATOM 1058 CG GLU A 67 0.879 -1.974 -10.474 1.00 0.54 C ATOM 1059 CD GLU A 67 1.377 -0.866 -11.402 1.00 2.71 C ATOM 1060 OE1 GLU A 67 1.335 -1.105 -12.599 1.00 3.96 O ATOM 1061 OE2 GLU A 67 1.782 0.153 -10.872 1.00 4.27 O ATOM 0 H GLU A 67 2.940 -1.997 -12.124 1.00 0.65 H new ATOM 0 HA GLU A 67 3.349 -2.379 -9.408 1.00 0.58 H new ATOM 0 HB2 GLU A 67 1.672 -3.704 -11.606 1.00 0.60 H new ATOM 0 HB3 GLU A 67 1.399 -4.052 -9.910 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -0.158 -2.209 -10.712 1.00 0.54 H new ATOM 0 HG3 GLU A 67 0.897 -1.621 -9.443 1.00 0.54 H new ATOM 1068 N ASP A 68 4.409 -5.014 -10.895 1.00 0.33 N ATOM 1069 CA ASP A 68 5.229 -6.217 -10.627 1.00 0.31 C ATOM 1070 C ASP A 68 6.682 -5.850 -10.388 1.00 0.33 C ATOM 1071 O ASP A 68 7.349 -6.449 -9.572 1.00 0.47 O ATOM 1072 CB ASP A 68 4.977 -7.081 -11.820 1.00 0.23 C ATOM 1073 CG ASP A 68 3.629 -7.720 -11.502 1.00 0.24 C ATOM 1074 OD1 ASP A 68 3.643 -8.566 -10.619 1.00 2.44 O ATOM 1075 OD2 ASP A 68 2.679 -7.298 -12.136 1.00 1.99 O ATOM 0 H ASP A 68 4.134 -4.887 -11.869 1.00 0.33 H new ATOM 0 HA ASP A 68 4.967 -6.748 -9.712 1.00 0.31 H new ATOM 0 HB2 ASP A 68 4.940 -6.498 -12.740 1.00 0.23 H new ATOM 0 HB3 ASP A 68 5.758 -7.830 -11.948 1.00 0.23 H new ATOM 1080 N ALA A 69 7.092 -4.853 -11.105 1.00 0.20 N ATOM 1081 CA ALA A 69 8.502 -4.365 -10.967 1.00 0.24 C ATOM 1082 C ALA A 69 8.535 -3.787 -9.516 1.00 0.20 C ATOM 1083 O ALA A 69 9.539 -3.885 -8.852 1.00 0.26 O ATOM 1084 CB ALA A 69 8.764 -3.297 -12.044 1.00 0.37 C ATOM 0 H ALA A 69 6.521 -4.348 -11.783 1.00 0.20 H new ATOM 0 HA ALA A 69 9.272 -5.123 -11.108 1.00 0.24 H new ATOM 0 HB1 ALA A 69 9.788 -2.933 -11.954 1.00 0.37 H new ATOM 0 HB2 ALA A 69 8.619 -3.734 -13.032 1.00 0.37 H new ATOM 0 HB3 ALA A 69 8.071 -2.467 -11.909 1.00 0.37 H new ATOM 1090 N MET A 70 7.454 -3.193 -9.074 1.00 0.23 N ATOM 1091 CA MET A 70 7.364 -2.629 -7.697 1.00 0.25 C ATOM 1092 C MET A 70 7.444 -3.840 -6.783 1.00 0.22 C ATOM 1093 O MET A 70 8.334 -3.845 -5.972 1.00 0.21 O ATOM 1094 CB MET A 70 6.033 -1.875 -7.607 1.00 0.40 C ATOM 1095 CG MET A 70 6.083 -0.728 -8.642 1.00 0.69 C ATOM 1096 SD MET A 70 4.519 -0.015 -9.191 1.00 1.20 S ATOM 1097 CE MET A 70 4.003 0.609 -7.575 1.00 2.13 C ATOM 0 H MET A 70 6.607 -3.074 -9.630 1.00 0.23 H new ATOM 0 HA MET A 70 8.147 -1.921 -7.424 1.00 0.25 H new ATOM 0 HB2 MET A 70 5.198 -2.544 -7.815 1.00 0.40 H new ATOM 0 HB3 MET A 70 5.883 -1.480 -6.602 1.00 0.40 H new ATOM 0 HG2 MET A 70 6.687 0.076 -8.221 1.00 0.69 H new ATOM 0 HG3 MET A 70 6.610 -1.095 -9.523 1.00 0.69 H new ATOM 0 HE1 MET A 70 3.110 1.224 -7.690 1.00 2.13 H new ATOM 0 HE2 MET A 70 3.783 -0.230 -6.914 1.00 2.13 H new ATOM 0 HE3 MET A 70 4.804 1.210 -7.144 1.00 2.13 H new ATOM 1107 N LYS A 71 6.567 -4.804 -6.917 1.00 0.24 N ATOM 1108 CA LYS A 71 6.634 -6.013 -6.043 1.00 0.21 C ATOM 1109 C LYS A 71 8.098 -6.456 -5.981 1.00 0.29 C ATOM 1110 O LYS A 71 8.745 -6.290 -4.977 1.00 0.53 O ATOM 1111 CB LYS A 71 5.792 -7.158 -6.635 1.00 0.28 C ATOM 1112 CG LYS A 71 4.333 -6.764 -6.672 1.00 0.55 C ATOM 1113 CD LYS A 71 3.567 -7.889 -7.417 1.00 2.31 C ATOM 1114 CE LYS A 71 2.369 -7.330 -8.185 1.00 2.39 C ATOM 1115 NZ LYS A 71 1.617 -6.420 -7.258 1.00 2.44 N ATOM 0 H LYS A 71 5.806 -4.804 -7.596 1.00 0.24 H new ATOM 0 HA LYS A 71 6.245 -5.775 -5.053 1.00 0.21 H new ATOM 0 HB2 LYS A 71 6.139 -7.392 -7.641 1.00 0.28 H new ATOM 0 HB3 LYS A 71 5.918 -8.060 -6.036 1.00 0.28 H new ATOM 0 HG2 LYS A 71 3.944 -6.639 -5.662 1.00 0.55 H new ATOM 0 HG3 LYS A 71 4.206 -5.810 -7.183 1.00 0.55 H new ATOM 0 HD2 LYS A 71 4.241 -8.395 -8.108 1.00 2.31 H new ATOM 0 HD3 LYS A 71 3.226 -8.636 -6.700 1.00 2.31 H new ATOM 0 HE2 LYS A 71 2.702 -6.786 -9.069 1.00 2.39 H new ATOM 0 HE3 LYS A 71 1.726 -8.139 -8.532 1.00 2.39 H new ATOM 0 HZ1 LYS A 71 0.632 -6.334 -7.580 1.00 2.44 H new ATOM 0 HZ2 LYS A 71 1.634 -6.814 -6.296 1.00 2.44 H new ATOM 0 HZ3 LYS A 71 2.064 -5.481 -7.255 1.00 2.44 H new ATOM 1129 N ALA A 72 8.595 -6.970 -7.071 1.00 0.18 N ATOM 1130 CA ALA A 72 9.995 -7.437 -7.128 1.00 0.31 C ATOM 1131 C ALA A 72 10.989 -6.361 -6.615 1.00 0.24 C ATOM 1132 O ALA A 72 11.941 -6.674 -5.936 1.00 0.22 O ATOM 1133 CB ALA A 72 10.130 -7.856 -8.595 1.00 0.43 C ATOM 0 H ALA A 72 8.073 -7.086 -7.940 1.00 0.18 H new ATOM 0 HA ALA A 72 10.242 -8.266 -6.465 1.00 0.31 H new ATOM 0 HB1 ALA A 72 11.138 -8.228 -8.776 1.00 0.43 H new ATOM 0 HB2 ALA A 72 9.408 -8.642 -8.817 1.00 0.43 H new ATOM 0 HB3 ALA A 72 9.940 -6.997 -9.238 1.00 0.43 H new ATOM 1139 N TYR A 73 10.788 -5.110 -6.927 1.00 0.24 N ATOM 1140 CA TYR A 73 11.735 -4.063 -6.431 1.00 0.20 C ATOM 1141 C TYR A 73 11.726 -4.149 -4.920 1.00 0.20 C ATOM 1142 O TYR A 73 12.751 -4.314 -4.303 1.00 0.23 O ATOM 1143 CB TYR A 73 11.265 -2.672 -6.862 1.00 0.22 C ATOM 1144 CG TYR A 73 12.210 -1.590 -6.323 1.00 0.23 C ATOM 1145 CD1 TYR A 73 13.439 -1.404 -6.916 1.00 0.24 C ATOM 1146 CD2 TYR A 73 11.850 -0.780 -5.261 1.00 0.25 C ATOM 1147 CE1 TYR A 73 14.286 -0.426 -6.460 1.00 0.26 C ATOM 1148 CE2 TYR A 73 12.708 0.204 -4.813 1.00 0.27 C ATOM 1149 CZ TYR A 73 13.927 0.380 -5.415 1.00 0.28 C ATOM 1150 OH TYR A 73 14.781 1.370 -4.992 1.00 0.32 O ATOM 0 H TYR A 73 10.017 -4.766 -7.499 1.00 0.24 H new ATOM 0 HA TYR A 73 12.733 -4.224 -6.838 1.00 0.20 H new ATOM 0 HB2 TYR A 73 11.224 -2.617 -7.950 1.00 0.22 H new ATOM 0 HB3 TYR A 73 10.254 -2.494 -6.496 1.00 0.22 H new ATOM 0 HD1 TYR A 73 13.737 -2.031 -7.743 1.00 0.24 H new ATOM 0 HD2 TYR A 73 10.893 -0.918 -4.780 1.00 0.25 H new ATOM 0 HE1 TYR A 73 15.248 -0.291 -6.932 1.00 0.26 H new ATOM 0 HE2 TYR A 73 12.419 0.836 -3.987 1.00 0.27 H new ATOM 0 HH TYR A 73 14.746 2.122 -5.619 1.00 0.32 H new ATOM 1160 N ILE A 74 10.555 -4.052 -4.368 1.00 0.17 N ATOM 1161 CA ILE A 74 10.389 -4.114 -2.894 1.00 0.15 C ATOM 1162 C ILE A 74 10.906 -5.466 -2.349 1.00 0.21 C ATOM 1163 O ILE A 74 11.562 -5.523 -1.334 1.00 0.32 O ATOM 1164 CB ILE A 74 8.899 -3.910 -2.598 1.00 0.20 C ATOM 1165 CG1 ILE A 74 8.441 -2.517 -3.098 1.00 0.21 C ATOM 1166 CG2 ILE A 74 8.762 -3.914 -1.056 1.00 0.22 C ATOM 1167 CD1 ILE A 74 6.894 -2.430 -2.978 1.00 0.37 C ATOM 0 H ILE A 74 9.686 -3.930 -4.888 1.00 0.17 H new ATOM 0 HA ILE A 74 10.972 -3.338 -2.398 1.00 0.15 H new ATOM 0 HB ILE A 74 8.304 -4.683 -3.084 1.00 0.20 H new ATOM 0 HG12 ILE A 74 8.911 -1.730 -2.508 1.00 0.21 H new ATOM 0 HG13 ILE A 74 8.749 -2.367 -4.133 1.00 0.21 H new ATOM 0 HG21 ILE A 74 7.716 -3.772 -0.783 1.00 0.22 H new ATOM 0 HG22 ILE A 74 9.113 -4.868 -0.662 1.00 0.22 H new ATOM 0 HG23 ILE A 74 9.360 -3.105 -0.636 1.00 0.22 H new ATOM 0 HD11 ILE A 74 6.556 -1.454 -3.327 1.00 0.37 H new ATOM 0 HD12 ILE A 74 6.437 -3.211 -3.586 1.00 0.37 H new ATOM 0 HD13 ILE A 74 6.602 -2.564 -1.937 1.00 0.37 H new ATOM 1179 N ASP A 75 10.628 -6.520 -3.053 1.00 0.39 N ATOM 1180 CA ASP A 75 11.044 -7.897 -2.676 1.00 0.55 C ATOM 1181 C ASP A 75 12.573 -8.032 -2.734 1.00 0.52 C ATOM 1182 O ASP A 75 13.196 -8.774 -1.990 1.00 0.67 O ATOM 1183 CB ASP A 75 10.366 -8.812 -3.682 1.00 0.71 C ATOM 1184 CG ASP A 75 8.841 -8.703 -3.756 1.00 1.42 C ATOM 1185 OD1 ASP A 75 8.251 -8.157 -2.844 1.00 2.34 O ATOM 1186 OD2 ASP A 75 8.335 -9.194 -4.755 1.00 2.70 O ATOM 0 H ASP A 75 10.099 -6.480 -3.924 1.00 0.39 H new ATOM 0 HA ASP A 75 10.756 -8.150 -1.656 1.00 0.55 H new ATOM 0 HB2 ASP A 75 10.775 -8.602 -4.670 1.00 0.71 H new ATOM 0 HB3 ASP A 75 10.627 -9.843 -3.442 1.00 0.71 H new ATOM 1191 N LYS A 76 13.164 -7.268 -3.618 1.00 0.38 N ATOM 1192 CA LYS A 76 14.636 -7.348 -3.744 1.00 0.38 C ATOM 1193 C LYS A 76 15.086 -6.449 -2.613 1.00 0.37 C ATOM 1194 O LYS A 76 15.919 -6.870 -1.848 1.00 0.29 O ATOM 1195 CB LYS A 76 15.108 -6.820 -5.116 1.00 0.40 C ATOM 1196 CG LYS A 76 16.576 -7.343 -5.373 1.00 0.55 C ATOM 1197 CD LYS A 76 16.503 -8.906 -5.536 1.00 0.71 C ATOM 1198 CE LYS A 76 17.813 -9.600 -5.897 1.00 1.87 C ATOM 1199 NZ LYS A 76 17.504 -11.068 -5.854 1.00 1.15 N ATOM 0 H LYS A 76 12.697 -6.609 -4.241 1.00 0.38 H new ATOM 0 HA LYS A 76 15.037 -8.360 -3.687 1.00 0.38 H new ATOM 0 HB2 LYS A 76 14.439 -7.164 -5.905 1.00 0.40 H new ATOM 0 HB3 LYS A 76 15.085 -5.730 -5.131 1.00 0.40 H new ATOM 0 HG2 LYS A 76 16.995 -6.884 -6.269 1.00 0.55 H new ATOM 0 HG3 LYS A 76 17.229 -7.075 -4.542 1.00 0.55 H new ATOM 0 HD2 LYS A 76 16.133 -9.332 -4.603 1.00 0.71 H new ATOM 0 HD3 LYS A 76 15.767 -9.138 -6.306 1.00 0.71 H new ATOM 0 HE2 LYS A 76 18.159 -9.299 -6.886 1.00 1.87 H new ATOM 0 HE3 LYS A 76 18.603 -9.343 -5.191 1.00 1.87 H new ATOM 0 HZ1 LYS A 76 17.955 -11.493 -5.019 1.00 1.15 H new ATOM 0 HZ2 LYS A 76 16.474 -11.205 -5.799 1.00 1.15 H new ATOM 0 HZ3 LYS A 76 17.868 -11.525 -6.714 1.00 1.15 H new ATOM 1213 N VAL A 77 14.552 -5.254 -2.505 1.00 0.42 N ATOM 1214 CA VAL A 77 14.950 -4.324 -1.386 1.00 0.41 C ATOM 1215 C VAL A 77 14.948 -5.184 -0.128 1.00 0.42 C ATOM 1216 O VAL A 77 15.874 -5.121 0.651 1.00 0.38 O ATOM 1217 CB VAL A 77 13.928 -3.163 -1.278 1.00 0.45 C ATOM 1218 CG1 VAL A 77 14.242 -2.342 -0.004 1.00 0.45 C ATOM 1219 CG2 VAL A 77 14.141 -2.232 -2.495 1.00 0.36 C ATOM 0 H VAL A 77 13.853 -4.877 -3.145 1.00 0.42 H new ATOM 0 HA VAL A 77 15.926 -3.868 -1.548 1.00 0.41 H new ATOM 0 HB VAL A 77 12.911 -3.553 -1.244 1.00 0.45 H new ATOM 0 HG11 VAL A 77 13.530 -1.521 0.085 1.00 0.45 H new ATOM 0 HG12 VAL A 77 14.164 -2.986 0.872 1.00 0.45 H new ATOM 0 HG13 VAL A 77 15.253 -1.940 -0.070 1.00 0.45 H new ATOM 0 HG21 VAL A 77 13.435 -1.403 -2.447 1.00 0.36 H new ATOM 0 HG22 VAL A 77 15.159 -1.842 -2.481 1.00 0.36 H new ATOM 0 HG23 VAL A 77 13.980 -2.793 -3.415 1.00 0.36 H new ATOM 1229 N GLU A 78 13.912 -5.968 0.055 1.00 0.58 N ATOM 1230 CA GLU A 78 13.854 -6.854 1.238 1.00 0.59 C ATOM 1231 C GLU A 78 15.010 -7.853 1.161 1.00 0.59 C ATOM 1232 O GLU A 78 15.772 -7.927 2.105 1.00 0.62 O ATOM 1233 CB GLU A 78 12.514 -7.583 1.265 1.00 0.62 C ATOM 1234 CG GLU A 78 11.852 -7.211 2.622 1.00 1.23 C ATOM 1235 CD GLU A 78 10.960 -8.368 3.037 1.00 3.84 C ATOM 1236 OE1 GLU A 78 9.817 -8.373 2.625 1.00 4.70 O ATOM 1237 OE2 GLU A 78 11.518 -9.187 3.747 1.00 5.09 O ATOM 0 H GLU A 78 13.108 -6.025 -0.570 1.00 0.58 H new ATOM 0 HA GLU A 78 13.946 -6.269 2.153 1.00 0.59 H new ATOM 0 HB2 GLU A 78 11.886 -7.277 0.428 1.00 0.62 H new ATOM 0 HB3 GLU A 78 12.654 -8.661 1.182 1.00 0.62 H new ATOM 0 HG2 GLU A 78 12.613 -7.025 3.380 1.00 1.23 H new ATOM 0 HG3 GLU A 78 11.269 -6.295 2.524 1.00 1.23 H new ATOM 1244 N GLU A 79 15.132 -8.607 0.089 1.00 0.57 N ATOM 1245 CA GLU A 79 16.264 -9.587 -0.050 1.00 0.66 C ATOM 1246 C GLU A 79 17.565 -8.957 0.461 1.00 0.53 C ATOM 1247 O GLU A 79 18.346 -9.577 1.154 1.00 0.74 O ATOM 1248 CB GLU A 79 16.452 -9.938 -1.513 1.00 0.70 C ATOM 1249 CG GLU A 79 15.805 -11.297 -1.856 1.00 1.08 C ATOM 1250 CD GLU A 79 16.192 -11.653 -3.279 1.00 3.41 C ATOM 1251 OE1 GLU A 79 17.372 -11.962 -3.381 1.00 4.23 O ATOM 1252 OE2 GLU A 79 15.366 -11.596 -4.178 1.00 4.47 O ATOM 0 H GLU A 79 14.490 -8.585 -0.703 1.00 0.57 H new ATOM 0 HA GLU A 79 16.028 -10.480 0.529 1.00 0.66 H new ATOM 0 HB2 GLU A 79 16.013 -9.158 -2.135 1.00 0.70 H new ATOM 0 HB3 GLU A 79 17.516 -9.971 -1.747 1.00 0.70 H new ATOM 0 HG2 GLU A 79 16.146 -12.067 -1.164 1.00 1.08 H new ATOM 0 HG3 GLU A 79 14.721 -11.239 -1.759 1.00 1.08 H new ATOM 1259 N LEU A 80 17.723 -7.730 0.048 1.00 0.23 N ATOM 1260 CA LEU A 80 18.902 -6.887 0.403 1.00 0.14 C ATOM 1261 C LEU A 80 18.817 -6.598 1.874 1.00 0.36 C ATOM 1262 O LEU A 80 19.758 -6.917 2.551 1.00 0.49 O ATOM 1263 CB LEU A 80 18.855 -5.608 -0.465 1.00 0.15 C ATOM 1264 CG LEU A 80 18.974 -6.006 -1.952 1.00 0.22 C ATOM 1265 CD1 LEU A 80 19.091 -4.748 -2.803 1.00 0.52 C ATOM 1266 CD2 LEU A 80 20.237 -6.844 -2.165 1.00 0.84 C ATOM 0 H LEU A 80 17.048 -7.255 -0.551 1.00 0.23 H new ATOM 0 HA LEU A 80 19.854 -7.380 0.207 1.00 0.14 H new ATOM 0 HB2 LEU A 80 17.923 -5.070 -0.293 1.00 0.15 H new ATOM 0 HB3 LEU A 80 19.667 -4.935 -0.189 1.00 0.15 H new ATOM 0 HG LEU A 80 18.092 -6.580 -2.236 1.00 0.22 H new ATOM 0 HD11 LEU A 80 19.175 -5.026 -3.854 1.00 0.52 H new ATOM 0 HD12 LEU A 80 18.205 -4.129 -2.661 1.00 0.52 H new ATOM 0 HD13 LEU A 80 19.977 -4.187 -2.504 1.00 0.52 H new ATOM 0 HD21 LEU A 80 20.316 -7.122 -3.216 1.00 0.84 H new ATOM 0 HD22 LEU A 80 21.113 -6.262 -1.877 1.00 0.84 H new ATOM 0 HD23 LEU A 80 20.183 -7.745 -1.554 1.00 0.84 H new ATOM 1278 N LYS A 81 17.778 -6.012 2.380 1.00 0.40 N ATOM 1279 CA LYS A 81 17.694 -5.754 3.848 1.00 0.54 C ATOM 1280 C LYS A 81 18.171 -7.013 4.563 1.00 0.62 C ATOM 1281 O LYS A 81 19.046 -6.955 5.399 1.00 0.73 O ATOM 1282 CB LYS A 81 16.231 -5.385 4.106 1.00 0.76 C ATOM 1283 CG LYS A 81 16.036 -4.949 5.575 1.00 1.13 C ATOM 1284 CD LYS A 81 14.644 -4.296 5.775 1.00 1.71 C ATOM 1285 CE LYS A 81 14.497 -3.025 4.923 1.00 3.72 C ATOM 1286 NZ LYS A 81 13.104 -2.505 5.116 1.00 5.91 N ATOM 0 H LYS A 81 16.972 -5.695 1.840 1.00 0.40 H new ATOM 0 HA LYS A 81 18.322 -4.943 4.218 1.00 0.54 H new ATOM 0 HB2 LYS A 81 15.930 -4.578 3.438 1.00 0.76 H new ATOM 0 HB3 LYS A 81 15.590 -6.238 3.885 1.00 0.76 H new ATOM 0 HG2 LYS A 81 16.135 -5.813 6.232 1.00 1.13 H new ATOM 0 HG3 LYS A 81 16.818 -4.243 5.857 1.00 1.13 H new ATOM 0 HD2 LYS A 81 13.864 -5.008 5.507 1.00 1.71 H new ATOM 0 HD3 LYS A 81 14.503 -4.050 6.827 1.00 1.71 H new ATOM 0 HE2 LYS A 81 15.230 -2.276 5.224 1.00 3.72 H new ATOM 0 HE3 LYS A 81 14.680 -3.246 3.872 1.00 3.72 H new ATOM 0 HZ1 LYS A 81 13.105 -1.469 5.027 1.00 5.91 H new ATOM 0 HZ2 LYS A 81 12.478 -2.914 4.394 1.00 5.91 H new ATOM 0 HZ3 LYS A 81 12.762 -2.771 6.062 1.00 5.91 H new ATOM 1300 N LYS A 82 17.583 -8.110 4.203 1.00 0.62 N ATOM 1301 CA LYS A 82 17.963 -9.412 4.816 1.00 0.69 C ATOM 1302 C LYS A 82 19.479 -9.643 4.771 1.00 0.63 C ATOM 1303 O LYS A 82 20.086 -10.163 5.683 1.00 0.73 O ATOM 1304 CB LYS A 82 17.185 -10.518 4.067 1.00 0.83 C ATOM 1305 CG LYS A 82 15.664 -10.272 4.266 1.00 0.91 C ATOM 1306 CD LYS A 82 15.243 -10.687 5.712 1.00 2.41 C ATOM 1307 CE LYS A 82 13.740 -10.497 5.962 1.00 2.82 C ATOM 1308 NZ LYS A 82 13.000 -11.262 4.914 1.00 3.08 N ATOM 0 H LYS A 82 16.845 -8.165 3.501 1.00 0.62 H new ATOM 0 HA LYS A 82 17.701 -9.422 5.874 1.00 0.69 H new ATOM 0 HB2 LYS A 82 17.435 -10.505 3.006 1.00 0.83 H new ATOM 0 HB3 LYS A 82 17.463 -11.501 4.448 1.00 0.83 H new ATOM 0 HG2 LYS A 82 15.432 -9.220 4.098 1.00 0.91 H new ATOM 0 HG3 LYS A 82 15.095 -10.845 3.534 1.00 0.91 H new ATOM 0 HD2 LYS A 82 15.507 -11.731 5.879 1.00 2.41 H new ATOM 0 HD3 LYS A 82 15.806 -10.097 6.435 1.00 2.41 H new ATOM 0 HE2 LYS A 82 13.471 -10.853 6.956 1.00 2.82 H new ATOM 0 HE3 LYS A 82 13.477 -9.440 5.920 1.00 2.82 H new ATOM 0 HZ1 LYS A 82 12.568 -10.598 4.240 1.00 3.08 H new ATOM 0 HZ2 LYS A 82 13.660 -11.888 4.410 1.00 3.08 H new ATOM 0 HZ3 LYS A 82 12.255 -11.833 5.362 1.00 3.08 H new ATOM 1322 N LYS A 83 20.030 -9.241 3.671 1.00 0.56 N ATOM 1323 CA LYS A 83 21.509 -9.363 3.406 1.00 0.58 C ATOM 1324 C LYS A 83 22.411 -8.282 4.044 1.00 0.79 C ATOM 1325 O LYS A 83 23.445 -8.622 4.573 1.00 0.91 O ATOM 1326 CB LYS A 83 21.748 -9.332 1.884 1.00 0.29 C ATOM 1327 CG LYS A 83 21.092 -10.519 1.172 1.00 0.24 C ATOM 1328 CD LYS A 83 20.863 -10.084 -0.307 1.00 0.27 C ATOM 1329 CE LYS A 83 20.332 -11.223 -1.161 1.00 0.23 C ATOM 1330 NZ LYS A 83 18.937 -11.544 -0.722 1.00 2.76 N ATOM 0 H LYS A 83 19.508 -8.814 2.906 1.00 0.56 H new ATOM 0 HA LYS A 83 21.794 -10.304 3.875 1.00 0.58 H new ATOM 0 HB2 LYS A 83 21.354 -8.402 1.475 1.00 0.29 H new ATOM 0 HB3 LYS A 83 22.820 -9.339 1.686 1.00 0.29 H new ATOM 0 HG2 LYS A 83 21.731 -11.401 1.221 1.00 0.24 H new ATOM 0 HG3 LYS A 83 20.148 -10.782 1.649 1.00 0.24 H new ATOM 0 HD2 LYS A 83 20.160 -9.252 -0.335 1.00 0.27 H new ATOM 0 HD3 LYS A 83 21.801 -9.723 -0.728 1.00 0.27 H new ATOM 0 HE2 LYS A 83 20.341 -10.941 -2.214 1.00 0.23 H new ATOM 0 HE3 LYS A 83 20.971 -12.100 -1.060 1.00 0.23 H new ATOM 0 HZ1 LYS A 83 18.938 -12.436 -0.187 1.00 2.76 H new ATOM 0 HZ2 LYS A 83 18.578 -10.778 -0.117 1.00 2.76 H new ATOM 0 HZ3 LYS A 83 18.324 -11.642 -1.557 1.00 2.76 H new ATOM 1344 N TYR A 84 22.041 -7.033 3.983 1.00 0.83 N ATOM 1345 CA TYR A 84 22.862 -5.919 4.568 1.00 1.01 C ATOM 1346 C TYR A 84 22.324 -5.147 5.821 1.00 1.59 C ATOM 1347 O TYR A 84 23.112 -4.464 6.449 1.00 2.86 O ATOM 1348 CB TYR A 84 23.135 -4.941 3.375 1.00 0.58 C ATOM 1349 CG TYR A 84 23.714 -5.710 2.157 1.00 0.29 C ATOM 1350 CD1 TYR A 84 25.046 -6.077 2.168 1.00 2.35 C ATOM 1351 CD2 TYR A 84 22.948 -6.066 1.044 1.00 2.41 C ATOM 1352 CE1 TYR A 84 25.592 -6.776 1.107 1.00 2.51 C ATOM 1353 CE2 TYR A 84 23.510 -6.767 -0.010 1.00 2.21 C ATOM 1354 CZ TYR A 84 24.836 -7.124 0.016 1.00 0.34 C ATOM 1355 OH TYR A 84 25.439 -7.810 -1.020 1.00 0.62 O ATOM 0 H TYR A 84 21.177 -6.723 3.539 1.00 0.83 H new ATOM 0 HA TYR A 84 23.747 -6.383 5.003 1.00 1.01 H new ATOM 0 HB2 TYR A 84 22.210 -4.441 3.089 1.00 0.58 H new ATOM 0 HB3 TYR A 84 23.834 -4.165 3.687 1.00 0.58 H new ATOM 0 HD1 TYR A 84 25.666 -5.816 3.013 1.00 2.35 H new ATOM 0 HD2 TYR A 84 21.904 -5.791 1.005 1.00 2.41 H new ATOM 0 HE1 TYR A 84 26.635 -7.054 1.138 1.00 2.51 H new ATOM 0 HE2 TYR A 84 22.900 -7.035 -0.860 1.00 2.21 H new ATOM 0 HH TYR A 84 24.775 -8.002 -1.715 1.00 0.62 H new ATOM 1365 N GLY A 85 21.061 -5.246 6.177 1.00 1.04 N ATOM 1366 CA GLY A 85 20.497 -4.528 7.364 1.00 1.35 C ATOM 1367 C GLY A 85 19.266 -3.723 6.982 1.00 2.16 C ATOM 1368 O GLY A 85 18.255 -3.794 7.646 1.00 3.96 O ATOM 0 H GLY A 85 20.379 -5.814 5.675 1.00 1.04 H new ATOM 0 HA2 GLY A 85 20.238 -5.249 8.140 1.00 1.35 H new ATOM 0 HA3 GLY A 85 21.253 -3.865 7.785 1.00 1.35 H new ATOM 1372 N ILE A 86 19.383 -2.974 5.931 1.00 1.77 N ATOM 1373 CA ILE A 86 18.274 -2.120 5.429 1.00 2.83 C ATOM 1374 C ILE A 86 17.869 -2.342 3.955 1.00 5.09 C ATOM 1375 O ILE A 86 18.647 -2.999 3.297 1.00 5.92 O ATOM 1376 CB ILE A 86 18.821 -0.761 5.764 1.00 1.05 C ATOM 1377 CG1 ILE A 86 17.763 0.319 5.498 1.00 1.66 C ATOM 1378 CG2 ILE A 86 20.042 -0.497 4.858 1.00 2.63 C ATOM 1379 CD1 ILE A 86 18.139 1.637 6.215 1.00 1.28 C ATOM 1380 OXT ILE A 86 16.817 -1.854 3.565 1.00 6.37 O ATOM 0 H ILE A 86 20.236 -2.915 5.375 1.00 1.77 H new ATOM 0 HA ILE A 86 17.305 -2.333 5.879 1.00 2.83 H new ATOM 0 HB ILE A 86 19.101 -0.729 6.817 1.00 1.05 H new ATOM 0 HG12 ILE A 86 17.676 0.494 4.426 1.00 1.66 H new ATOM 0 HG13 ILE A 86 16.789 -0.025 5.845 1.00 1.66 H new ATOM 0 HG21 ILE A 86 20.457 0.486 5.083 1.00 2.63 H new ATOM 0 HG22 ILE A 86 20.799 -1.260 5.037 1.00 2.63 H new ATOM 0 HG23 ILE A 86 19.734 -0.530 3.813 1.00 2.63 H new ATOM 0 HD11 ILE A 86 17.377 2.390 6.015 1.00 1.28 H new ATOM 0 HD12 ILE A 86 18.202 1.462 7.289 1.00 1.28 H new ATOM 0 HD13 ILE A 86 19.103 1.989 5.847 1.00 1.28 H new