USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 804 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 48 LYS NZ :NH3+ -157:sc= 1.25 (180deg=-0.0816) USER MOD Set 1.2: A 50 SER OG : rot -21:sc= 1.74 USER MOD Set 2.1: A 30 GLN : amide:sc= 1.18 K(o=2.2,f=-0.013) USER MOD Set 2.2: A 41 THR OG1 : rot 92:sc= 0.997 USER MOD Single : A 0 SER OG : rot 170:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -109:sc= -2.21! (180deg=-4.86!) USER MOD Single : A -1 GLY N :NH3+ -177:sc= 1.28 (180deg=1.22) USER MOD Single : A 11 LYS NZ :NH3+ 133:sc= 1.69 (180deg=0.399) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.0617 (180deg=-0.401) USER MOD Single : A 19 ASN : amide:sc= -0.0742 K(o=-0.074,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ 153:sc= 1.4 (180deg=0.793) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc=-0.00634 (180deg=-0.109) USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= -0.973! (180deg=-1.74!) USER MOD Single : A 37 TYR OH : rot 30:sc= -1.07 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0345 (180deg=-0.284) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -167:sc= -1.09 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0138) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -1.03 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= 1.08 (180deg=0.747) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= -5.29! (180deg=-6.47!) USER MOD Single : A 74 LYS NZ :NH3+ 142:sc= 2.27 (180deg=1.47) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= -0.0689 (180deg=-0.395) USER MOD Single : A 81 MET CE :methyl -157:sc= -0.732 (180deg=-1.73) USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= -0.0205 (180deg=-0.208) USER MOD Single : A 88 LYS NZ :NH3+ 135:sc= -2.56! (180deg=-5.1!) USER MOD Single : A 96 TYR OH : rot 150:sc= -0.0113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 7.182 8.863 4.635 1.00 0.00 N ATOM 2 CA GLY A -1 8.522 8.247 4.467 1.00 0.00 C ATOM 3 C GLY A -1 8.467 6.733 4.476 1.00 0.00 C ATOM 4 O GLY A -1 7.457 6.146 4.866 1.00 0.00 O ATOM 0 H1 GLY A -1 7.265 9.898 4.571 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.546 8.520 3.887 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.795 8.603 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.960 8.586 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.179 8.589 5.267 1.00 0.00 H new ATOM 10 N SER A 0 9.554 6.099 4.048 1.00 0.00 N ATOM 11 CA SER A 0 9.623 4.646 3.987 1.00 0.00 C ATOM 12 C SER A 0 10.405 4.085 5.172 1.00 0.00 C ATOM 13 O SER A 0 9.815 3.517 6.095 1.00 0.00 O ATOM 14 CB SER A 0 10.255 4.198 2.662 1.00 0.00 C ATOM 15 OG SER A 0 10.254 2.786 2.534 1.00 0.00 O ATOM 0 H SER A 0 10.402 6.573 3.737 1.00 0.00 H new ATOM 0 HA SER A 0 8.607 4.254 4.039 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.707 4.640 1.829 1.00 0.00 H new ATOM 0 HB3 SER A 0 11.278 4.568 2.603 1.00 0.00 H new ATOM 0 HG SER A 0 10.511 2.540 1.621 1.00 0.00 H new ATOM 21 N LEU A 1 11.734 4.252 5.142 1.00 0.00 N ATOM 22 CA LEU A 1 12.623 3.764 6.208 1.00 0.00 C ATOM 23 C LEU A 1 12.545 2.242 6.328 1.00 0.00 C ATOM 24 O LEU A 1 13.050 1.658 7.285 1.00 0.00 O ATOM 25 CB LEU A 1 12.274 4.381 7.577 1.00 0.00 C ATOM 26 CG LEU A 1 12.247 5.918 7.669 1.00 0.00 C ATOM 27 CD1 LEU A 1 13.324 6.545 6.792 1.00 0.00 C ATOM 28 CD2 LEU A 1 10.866 6.461 7.330 1.00 0.00 C ATOM 0 H LEU A 1 12.222 4.727 4.383 1.00 0.00 H new ATOM 0 HA LEU A 1 13.633 4.066 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.295 4.007 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.993 4.011 8.308 1.00 0.00 H new ATOM 0 HG LEU A 1 12.467 6.194 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.278 7.631 6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.305 6.196 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.160 6.258 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.875 7.549 7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.599 6.167 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.134 6.057 8.029 1.00 0.00 H new ATOM 40 N ILE A 2 11.929 1.603 5.344 1.00 0.00 N ATOM 41 CA ILE A 2 11.574 0.200 5.464 1.00 0.00 C ATOM 42 C ILE A 2 12.690 -0.719 4.956 1.00 0.00 C ATOM 43 O ILE A 2 12.597 -1.943 5.061 1.00 0.00 O ATOM 44 CB ILE A 2 10.233 -0.079 4.737 1.00 0.00 C ATOM 45 CG1 ILE A 2 9.377 -1.035 5.560 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.436 -0.619 3.334 1.00 0.00 C ATOM 47 CD1 ILE A 2 8.845 -0.406 6.827 1.00 0.00 C ATOM 0 H ILE A 2 11.666 2.033 4.457 1.00 0.00 H new ATOM 0 HA ILE A 2 11.445 -0.024 6.523 1.00 0.00 H new ATOM 0 HB ILE A 2 9.714 0.874 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.540 -1.380 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.968 -1.914 5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.466 -0.797 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.994 0.106 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.993 -1.555 3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.243 -1.135 7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.679 -0.086 7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.229 0.457 6.574 1.00 0.00 H new ATOM 59 N LEU A 3 13.752 -0.118 4.424 1.00 0.00 N ATOM 60 CA LEU A 3 14.911 -0.871 3.955 1.00 0.00 C ATOM 61 C LEU A 3 16.019 0.075 3.538 1.00 0.00 C ATOM 62 O LEU A 3 16.288 0.225 2.351 1.00 0.00 O ATOM 63 CB LEU A 3 14.545 -1.782 2.785 1.00 0.00 C ATOM 64 CG LEU A 3 15.535 -2.915 2.538 1.00 0.00 C ATOM 65 CD1 LEU A 3 15.452 -3.947 3.652 1.00 0.00 C ATOM 66 CD2 LEU A 3 15.287 -3.552 1.187 1.00 0.00 C ATOM 0 H LEU A 3 13.833 0.892 4.307 1.00 0.00 H new ATOM 0 HA LEU A 3 15.258 -1.494 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.559 -2.210 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.468 -1.179 1.880 1.00 0.00 H new ATOM 0 HG LEU A 3 16.543 -2.501 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.165 -4.748 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.687 -3.473 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.444 -4.360 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.003 -4.358 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.274 -3.954 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.405 -2.803 0.404 1.00 0.00 H new ATOM 78 N ASP A 4 16.643 0.704 4.530 1.00 0.00 N ATOM 79 CA ASP A 4 17.686 1.707 4.300 1.00 0.00 C ATOM 80 C ASP A 4 18.735 1.223 3.309 1.00 0.00 C ATOM 81 O ASP A 4 19.589 0.397 3.639 1.00 0.00 O ATOM 82 CB ASP A 4 18.367 2.089 5.619 1.00 0.00 C ATOM 83 CG ASP A 4 17.502 2.969 6.498 1.00 0.00 C ATOM 84 OD1 ASP A 4 17.817 4.172 6.636 1.00 0.00 O ATOM 85 OD2 ASP A 4 16.510 2.466 7.060 1.00 0.00 O ATOM 0 H ASP A 4 16.442 0.535 5.516 1.00 0.00 H new ATOM 0 HA ASP A 4 17.196 2.583 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 4 18.625 1.181 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.301 2.607 5.403 1.00 0.00 H new ATOM 90 N GLY A 5 18.645 1.728 2.091 1.00 0.00 N ATOM 91 CA GLY A 5 19.615 1.409 1.068 1.00 0.00 C ATOM 92 C GLY A 5 19.567 -0.034 0.621 1.00 0.00 C ATOM 93 O GLY A 5 20.601 -0.602 0.268 1.00 0.00 O ATOM 0 H GLY A 5 17.906 2.363 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.447 2.054 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.614 1.632 1.443 1.00 0.00 H new ATOM 97 N ASP A 6 18.374 -0.626 0.638 1.00 0.00 N ATOM 98 CA ASP A 6 18.177 -1.990 0.131 1.00 0.00 C ATOM 99 C ASP A 6 19.096 -2.999 0.820 1.00 0.00 C ATOM 100 O ASP A 6 20.114 -3.422 0.268 1.00 0.00 O ATOM 101 CB ASP A 6 18.389 -2.039 -1.388 1.00 0.00 C ATOM 102 CG ASP A 6 18.102 -3.405 -1.983 1.00 0.00 C ATOM 103 OD1 ASP A 6 17.139 -4.062 -1.546 1.00 0.00 O ATOM 104 OD2 ASP A 6 18.825 -3.811 -2.920 1.00 0.00 O ATOM 0 H ASP A 6 17.527 -0.185 0.997 1.00 0.00 H new ATOM 0 HA ASP A 6 17.148 -2.269 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 6 17.745 -1.299 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.418 -1.759 -1.615 1.00 0.00 H new ATOM 109 N LEU A 7 18.741 -3.364 2.040 1.00 0.00 N ATOM 110 CA LEU A 7 19.473 -4.380 2.785 1.00 0.00 C ATOM 111 C LEU A 7 18.597 -5.613 2.950 1.00 0.00 C ATOM 112 O LEU A 7 18.612 -6.268 3.995 1.00 0.00 O ATOM 113 CB LEU A 7 19.886 -3.841 4.158 1.00 0.00 C ATOM 114 CG LEU A 7 20.867 -2.666 4.133 1.00 0.00 C ATOM 115 CD1 LEU A 7 21.162 -2.190 5.546 1.00 0.00 C ATOM 116 CD2 LEU A 7 22.155 -3.056 3.421 1.00 0.00 C ATOM 0 H LEU A 7 17.945 -2.970 2.541 1.00 0.00 H new ATOM 0 HA LEU A 7 20.375 -4.646 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.988 -3.532 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.334 -4.654 4.729 1.00 0.00 H new ATOM 0 HG LEU A 7 20.406 -1.846 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 7 21.861 -1.354 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.236 -1.868 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.601 -3.006 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.838 -2.207 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.620 -3.892 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.930 -3.348 2.395 1.00 0.00 H new ATOM 128 N LEU A 8 17.842 -5.926 1.906 1.00 0.00 N ATOM 129 CA LEU A 8 16.864 -7.001 1.962 1.00 0.00 C ATOM 130 C LEU A 8 17.539 -8.363 2.003 1.00 0.00 C ATOM 131 O LEU A 8 17.994 -8.882 0.982 1.00 0.00 O ATOM 132 CB LEU A 8 15.914 -6.932 0.768 1.00 0.00 C ATOM 133 CG LEU A 8 14.679 -7.827 0.882 1.00 0.00 C ATOM 134 CD1 LEU A 8 13.833 -7.406 2.075 1.00 0.00 C ATOM 135 CD2 LEU A 8 13.862 -7.773 -0.397 1.00 0.00 C ATOM 0 H LEU A 8 17.889 -5.447 1.006 1.00 0.00 H new ATOM 0 HA LEU A 8 16.292 -6.872 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.588 -5.900 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.463 -7.207 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 8 15.007 -8.855 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.957 -8.051 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.422 -7.494 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.513 -6.372 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.987 -8.416 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.540 -6.748 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.471 -8.117 -1.233 1.00 0.00 H new ATOM 147 N LYS A 9 17.606 -8.930 3.193 1.00 0.00 N ATOM 148 CA LYS A 9 18.157 -10.257 3.384 1.00 0.00 C ATOM 149 C LYS A 9 17.025 -11.237 3.636 1.00 0.00 C ATOM 150 O LYS A 9 17.013 -12.351 3.113 1.00 0.00 O ATOM 151 CB LYS A 9 19.115 -10.265 4.575 1.00 0.00 C ATOM 152 CG LYS A 9 20.200 -9.204 4.494 1.00 0.00 C ATOM 153 CD LYS A 9 20.965 -9.061 5.806 1.00 0.00 C ATOM 154 CE LYS A 9 20.093 -8.501 6.928 1.00 0.00 C ATOM 155 NZ LYS A 9 19.182 -9.523 7.517 1.00 0.00 N ATOM 0 H LYS A 9 17.281 -8.485 4.051 1.00 0.00 H new ATOM 0 HA LYS A 9 18.706 -10.548 2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.543 -10.118 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.584 -11.247 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.896 -9.459 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.751 -8.246 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.356 -10.034 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.823 -8.406 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 9 20.733 -8.097 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.500 -7.672 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.202 -9.317 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.450 -10.467 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.257 -9.499 8.554 1.00 0.00 H new ATOM 169 N ASP A 10 16.066 -10.796 4.434 1.00 0.00 N ATOM 170 CA ASP A 10 14.944 -11.635 4.823 1.00 0.00 C ATOM 171 C ASP A 10 13.641 -10.932 4.481 1.00 0.00 C ATOM 172 O ASP A 10 13.226 -10.009 5.182 1.00 0.00 O ATOM 173 CB ASP A 10 14.982 -11.929 6.329 1.00 0.00 C ATOM 174 CG ASP A 10 16.336 -12.409 6.812 1.00 0.00 C ATOM 175 OD1 ASP A 10 17.129 -11.569 7.298 1.00 0.00 O ATOM 176 OD2 ASP A 10 16.611 -13.624 6.728 1.00 0.00 O ATOM 0 H ASP A 10 16.043 -9.855 4.827 1.00 0.00 H new ATOM 0 HA ASP A 10 15.012 -12.578 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.708 -11.026 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.232 -12.684 6.564 1.00 0.00 H new ATOM 181 N LYS A 11 13.015 -11.336 3.390 1.00 0.00 N ATOM 182 CA LYS A 11 11.756 -10.734 2.982 1.00 0.00 C ATOM 183 C LYS A 11 10.573 -11.642 3.295 1.00 0.00 C ATOM 184 O LYS A 11 9.899 -11.475 4.311 1.00 0.00 O ATOM 185 CB LYS A 11 11.771 -10.385 1.491 1.00 0.00 C ATOM 186 CG LYS A 11 12.661 -11.283 0.642 1.00 0.00 C ATOM 187 CD LYS A 11 12.155 -11.352 -0.787 1.00 0.00 C ATOM 188 CE LYS A 11 10.872 -12.171 -0.883 1.00 0.00 C ATOM 189 NZ LYS A 11 10.090 -11.841 -2.100 1.00 0.00 N ATOM 0 H LYS A 11 13.354 -12.074 2.773 1.00 0.00 H new ATOM 0 HA LYS A 11 11.639 -9.814 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.752 -10.438 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.102 -9.353 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.683 -10.904 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.689 -12.285 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.974 -10.344 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.920 -11.795 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.119 -13.233 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.260 -11.991 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.795 -12.720 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.248 -11.291 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.678 -11.281 -2.749 1.00 0.00 H new ATOM 203 N LEU A 12 10.333 -12.610 2.428 1.00 0.00 N ATOM 204 CA LEU A 12 9.188 -13.485 2.561 1.00 0.00 C ATOM 205 C LEU A 12 9.512 -14.876 2.042 1.00 0.00 C ATOM 206 O LEU A 12 9.978 -15.040 0.914 1.00 0.00 O ATOM 207 CB LEU A 12 8.000 -12.902 1.791 1.00 0.00 C ATOM 208 CG LEU A 12 6.716 -13.730 1.841 1.00 0.00 C ATOM 209 CD1 LEU A 12 6.188 -13.807 3.265 1.00 0.00 C ATOM 210 CD2 LEU A 12 5.668 -13.142 0.910 1.00 0.00 C ATOM 0 H LEU A 12 10.922 -12.808 1.620 1.00 0.00 H new ATOM 0 HA LEU A 12 8.930 -13.564 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.787 -11.908 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.291 -12.777 0.748 1.00 0.00 H new ATOM 0 HG LEU A 12 6.943 -14.742 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.274 -14.400 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.936 -14.274 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.976 -12.802 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.760 -13.744 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.443 -12.120 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.049 -13.140 -0.111 1.00 0.00 H new ATOM 222 N LYS A 13 9.284 -15.871 2.880 1.00 0.00 N ATOM 223 CA LYS A 13 9.419 -17.263 2.477 1.00 0.00 C ATOM 224 C LYS A 13 8.094 -17.973 2.717 1.00 0.00 C ATOM 225 O LYS A 13 7.979 -19.195 2.627 1.00 0.00 O ATOM 226 CB LYS A 13 10.564 -17.933 3.254 1.00 0.00 C ATOM 227 CG LYS A 13 10.876 -19.357 2.806 1.00 0.00 C ATOM 228 CD LYS A 13 11.320 -19.409 1.351 1.00 0.00 C ATOM 229 CE LYS A 13 12.710 -18.822 1.163 1.00 0.00 C ATOM 230 NZ LYS A 13 13.742 -19.602 1.893 1.00 0.00 N ATOM 0 H LYS A 13 9.002 -15.741 3.852 1.00 0.00 H new ATOM 0 HA LYS A 13 9.665 -17.324 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.463 -17.326 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.310 -17.945 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.659 -19.774 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.992 -19.981 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.312 -20.443 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.608 -18.861 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.955 -18.800 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.719 -17.790 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.681 -19.388 1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.722 -19.347 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.547 -20.618 1.789 1.00 0.00 H new ATOM 244 N LEU A 14 7.087 -17.173 2.993 1.00 0.00 N ATOM 245 CA LEU A 14 5.772 -17.663 3.322 1.00 0.00 C ATOM 246 C LEU A 14 4.763 -17.244 2.261 1.00 0.00 C ATOM 247 O LEU A 14 5.099 -16.491 1.346 1.00 0.00 O ATOM 248 CB LEU A 14 5.367 -17.097 4.678 1.00 0.00 C ATOM 249 CG LEU A 14 6.266 -17.497 5.847 1.00 0.00 C ATOM 250 CD1 LEU A 14 5.734 -16.906 7.141 1.00 0.00 C ATOM 251 CD2 LEU A 14 6.364 -19.010 5.952 1.00 0.00 C ATOM 0 H LEU A 14 7.162 -16.156 2.995 1.00 0.00 H new ATOM 0 HA LEU A 14 5.790 -18.752 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.351 -16.009 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.349 -17.418 4.898 1.00 0.00 H new ATOM 0 HG LEU A 14 7.266 -17.103 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.382 -17.197 7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.712 -15.819 7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.725 -17.277 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.008 -19.276 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.370 -19.429 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.784 -19.412 5.030 1.00 0.00 H new ATOM 263 N PRO A 15 3.532 -17.772 2.344 1.00 0.00 N ATOM 264 CA PRO A 15 2.391 -17.287 1.548 1.00 0.00 C ATOM 265 C PRO A 15 2.050 -15.825 1.842 1.00 0.00 C ATOM 266 O PRO A 15 2.891 -15.052 2.305 1.00 0.00 O ATOM 267 CB PRO A 15 1.239 -18.192 2.003 1.00 0.00 C ATOM 268 CG PRO A 15 1.896 -19.404 2.542 1.00 0.00 C ATOM 269 CD PRO A 15 3.162 -18.928 3.176 1.00 0.00 C ATOM 0 HA PRO A 15 2.598 -17.325 0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.629 -17.703 2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.578 -18.438 1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.258 -19.905 3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.101 -20.124 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.010 -18.644 4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.934 -19.698 3.164 1.00 0.00 H new ATOM 277 N VAL A 16 0.810 -15.458 1.553 1.00 0.00 N ATOM 278 CA VAL A 16 0.313 -14.113 1.822 1.00 0.00 C ATOM 279 C VAL A 16 0.618 -13.685 3.257 1.00 0.00 C ATOM 280 O VAL A 16 0.283 -14.371 4.224 1.00 0.00 O ATOM 281 CB VAL A 16 -1.208 -14.001 1.540 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.983 -15.072 2.290 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.732 -12.612 1.894 1.00 0.00 C ATOM 0 H VAL A 16 0.122 -16.079 1.128 1.00 0.00 H new ATOM 0 HA VAL A 16 0.835 -13.438 1.143 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.358 -14.158 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.047 -14.970 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.641 -16.057 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.818 -14.958 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.801 -12.562 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.559 -12.417 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.211 -11.864 1.297 1.00 0.00 H new ATOM 293 N ILE A 17 1.290 -12.553 3.361 1.00 0.00 N ATOM 294 CA ILE A 17 1.640 -11.963 4.637 1.00 0.00 C ATOM 295 C ILE A 17 0.372 -11.457 5.321 1.00 0.00 C ATOM 296 O ILE A 17 -0.598 -11.108 4.641 1.00 0.00 O ATOM 297 CB ILE A 17 2.636 -10.799 4.428 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.795 -11.246 3.536 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.175 -10.299 5.749 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.800 -10.153 3.236 1.00 0.00 C ATOM 0 H ILE A 17 1.610 -12.015 2.556 1.00 0.00 H new ATOM 0 HA ILE A 17 2.115 -12.715 5.268 1.00 0.00 H new ATOM 0 HB ILE A 17 2.100 -9.984 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.311 -12.077 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.392 -11.623 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.873 -9.481 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.351 -9.945 6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.691 -11.111 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.590 -10.550 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.301 -9.330 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.234 -9.791 4.168 1.00 0.00 H new ATOM 312 N ASP A 18 0.373 -11.417 6.651 1.00 0.00 N ATOM 313 CA ASP A 18 -0.824 -11.047 7.400 1.00 0.00 C ATOM 314 C ASP A 18 -1.273 -9.649 7.007 1.00 0.00 C ATOM 315 O ASP A 18 -0.443 -8.752 6.826 1.00 0.00 O ATOM 316 CB ASP A 18 -0.574 -11.109 8.913 1.00 0.00 C ATOM 317 CG ASP A 18 -1.863 -11.097 9.711 1.00 0.00 C ATOM 318 OD1 ASP A 18 -2.220 -12.142 10.291 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.536 -10.055 9.749 1.00 0.00 O ATOM 0 H ASP A 18 1.185 -11.635 7.229 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.609 -11.762 7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.012 -12.012 9.149 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.043 -10.262 9.212 1.00 0.00 H new ATOM 324 N ASN A 19 -2.581 -9.466 6.873 1.00 0.00 N ATOM 325 CA ASN A 19 -3.137 -8.181 6.469 1.00 0.00 C ATOM 326 C ASN A 19 -2.789 -7.105 7.490 1.00 0.00 C ATOM 327 O ASN A 19 -2.712 -5.930 7.155 1.00 0.00 O ATOM 328 CB ASN A 19 -4.659 -8.261 6.274 1.00 0.00 C ATOM 329 CG ASN A 19 -5.423 -8.576 7.549 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.951 -9.315 8.411 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.616 -8.019 7.675 1.00 0.00 N ATOM 0 H ASN A 19 -3.277 -10.193 7.039 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.692 -7.915 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.015 -7.312 5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.881 -9.026 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.177 -8.197 8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.975 -7.411 6.939 1.00 0.00 H new ATOM 338 N LEU A 20 -2.567 -7.523 8.731 1.00 0.00 N ATOM 339 CA LEU A 20 -2.130 -6.633 9.796 1.00 0.00 C ATOM 340 C LEU A 20 -0.833 -5.939 9.387 1.00 0.00 C ATOM 341 O LEU A 20 -0.693 -4.728 9.535 1.00 0.00 O ATOM 342 CB LEU A 20 -1.910 -7.453 11.070 1.00 0.00 C ATOM 343 CG LEU A 20 -2.075 -6.719 12.401 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.978 -7.719 13.540 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.038 -5.621 12.570 1.00 0.00 C ATOM 0 H LEU A 20 -2.686 -8.492 9.026 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.890 -5.873 9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.605 -8.293 11.057 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.904 -7.871 11.035 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.055 -6.242 12.412 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.095 -7.200 14.491 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.764 -8.467 13.436 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.005 -8.209 13.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.188 -5.123 13.528 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.039 -6.056 12.540 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.142 -4.895 11.763 1.00 0.00 H new ATOM 357 N PHE A 21 0.098 -6.718 8.848 1.00 0.00 N ATOM 358 CA PHE A 21 1.389 -6.194 8.424 1.00 0.00 C ATOM 359 C PHE A 21 1.202 -5.176 7.303 1.00 0.00 C ATOM 360 O PHE A 21 1.887 -4.152 7.255 1.00 0.00 O ATOM 361 CB PHE A 21 2.299 -7.339 7.961 1.00 0.00 C ATOM 362 CG PHE A 21 3.688 -6.898 7.590 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.636 -6.655 8.571 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.044 -6.725 6.261 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.913 -6.248 8.234 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.318 -6.319 5.919 1.00 0.00 C ATOM 367 CZ PHE A 21 6.254 -6.079 6.906 1.00 0.00 C ATOM 0 H PHE A 21 -0.019 -7.719 8.694 1.00 0.00 H new ATOM 0 HA PHE A 21 1.861 -5.696 9.271 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.364 -8.083 8.755 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.842 -7.829 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.374 -6.785 9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.316 -6.910 5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.643 -6.062 9.008 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.583 -6.189 4.880 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.251 -5.760 6.640 1.00 0.00 H new ATOM 377 N GLY A 22 0.259 -5.458 6.414 1.00 0.00 N ATOM 378 CA GLY A 22 -0.061 -4.523 5.358 1.00 0.00 C ATOM 379 C GLY A 22 -0.739 -3.285 5.902 1.00 0.00 C ATOM 380 O GLY A 22 -0.506 -2.175 5.424 1.00 0.00 O ATOM 0 H GLY A 22 -0.289 -6.318 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.851 -4.239 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.712 -5.005 4.628 1.00 0.00 H new ATOM 384 N LYS A 23 -1.585 -3.485 6.907 1.00 0.00 N ATOM 385 CA LYS A 23 -2.265 -2.396 7.577 1.00 0.00 C ATOM 386 C LYS A 23 -1.255 -1.504 8.284 1.00 0.00 C ATOM 387 O LYS A 23 -1.465 -0.306 8.417 1.00 0.00 O ATOM 388 CB LYS A 23 -3.283 -2.954 8.579 1.00 0.00 C ATOM 389 CG LYS A 23 -4.485 -3.636 7.937 1.00 0.00 C ATOM 390 CD LYS A 23 -5.350 -2.679 7.127 1.00 0.00 C ATOM 391 CE LYS A 23 -6.155 -1.746 8.014 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.219 -1.041 7.250 1.00 0.00 N ATOM 0 H LYS A 23 -1.815 -4.408 7.276 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.795 -1.797 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.780 -3.668 9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.637 -2.140 9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.136 -4.439 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.093 -4.096 8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.716 -2.091 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.028 -3.251 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.607 -2.316 8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.489 -1.014 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.001 -0.794 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.828 -0.173 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.573 -1.662 6.494 1.00 0.00 H new ATOM 406 N GLU A 24 -0.161 -2.106 8.736 1.00 0.00 N ATOM 407 CA GLU A 24 0.938 -1.384 9.332 1.00 0.00 C ATOM 408 C GLU A 24 1.667 -0.552 8.287 1.00 0.00 C ATOM 409 O GLU A 24 1.951 0.625 8.507 1.00 0.00 O ATOM 410 CB GLU A 24 1.880 -2.377 9.978 1.00 0.00 C ATOM 411 CG GLU A 24 1.316 -2.982 11.245 1.00 0.00 C ATOM 412 CD GLU A 24 1.159 -1.971 12.362 1.00 0.00 C ATOM 413 OE1 GLU A 24 1.941 -2.036 13.336 1.00 0.00 O ATOM 414 OE2 GLU A 24 0.262 -1.103 12.274 1.00 0.00 O ATOM 0 H GLU A 24 -0.018 -3.115 8.695 1.00 0.00 H new ATOM 0 HA GLU A 24 0.555 -0.699 10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.103 -3.174 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.823 -1.880 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.346 -3.429 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.970 -3.787 11.580 1.00 0.00 H new ATOM 421 N LEU A 25 1.968 -1.176 7.152 1.00 0.00 N ATOM 422 CA LEU A 25 2.531 -0.465 6.010 1.00 0.00 C ATOM 423 C LEU A 25 1.666 0.739 5.666 1.00 0.00 C ATOM 424 O LEU A 25 2.090 1.880 5.808 1.00 0.00 O ATOM 425 CB LEU A 25 2.597 -1.390 4.800 1.00 0.00 C ATOM 426 CG LEU A 25 3.590 -2.537 4.904 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.381 -3.507 3.756 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.015 -2.005 4.914 1.00 0.00 C ATOM 0 H LEU A 25 1.831 -2.175 6.999 1.00 0.00 H new ATOM 0 HA LEU A 25 3.535 -0.131 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.604 -1.807 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.848 -0.794 3.923 1.00 0.00 H new ATOM 0 HG LEU A 25 3.423 -3.069 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.096 -4.326 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.367 -3.905 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.530 -2.988 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.714 -2.838 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.204 -1.454 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.149 -1.341 5.768 1.00 0.00 H new ATOM 440 N LEU A 26 0.442 0.465 5.233 1.00 0.00 N ATOM 441 CA LEU A 26 -0.519 1.495 4.889 1.00 0.00 C ATOM 442 C LEU A 26 -0.725 2.513 6.017 1.00 0.00 C ATOM 443 O LEU A 26 -1.070 3.656 5.759 1.00 0.00 O ATOM 444 CB LEU A 26 -1.845 0.833 4.523 1.00 0.00 C ATOM 445 CG LEU A 26 -1.858 0.136 3.161 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.949 -0.920 3.097 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.015 1.145 2.066 1.00 0.00 C ATOM 0 H LEU A 26 0.090 -0.485 5.111 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.124 2.052 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.095 0.102 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.629 1.590 4.536 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.904 -0.373 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.935 -1.399 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.776 -1.669 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.920 -0.451 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.023 0.637 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.953 1.684 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.184 1.849 2.098 1.00 0.00 H new ATOM 459 N ASP A 27 -0.522 2.103 7.262 1.00 0.00 N ATOM 460 CA ASP A 27 -0.654 3.021 8.398 1.00 0.00 C ATOM 461 C ASP A 27 0.527 3.981 8.465 1.00 0.00 C ATOM 462 O ASP A 27 0.366 5.170 8.745 1.00 0.00 O ATOM 463 CB ASP A 27 -0.756 2.246 9.712 1.00 0.00 C ATOM 464 CG ASP A 27 -0.807 3.152 10.923 1.00 0.00 C ATOM 465 OD1 ASP A 27 -1.888 3.706 11.213 1.00 0.00 O ATOM 466 OD2 ASP A 27 0.230 3.310 11.599 1.00 0.00 O ATOM 0 H ASP A 27 -0.267 1.149 7.516 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.568 3.596 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.650 1.622 9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.099 1.576 9.801 1.00 0.00 H new ATOM 471 N LYS A 28 1.712 3.457 8.201 1.00 0.00 N ATOM 472 CA LYS A 28 2.933 4.248 8.237 1.00 0.00 C ATOM 473 C LYS A 28 3.090 5.073 6.966 1.00 0.00 C ATOM 474 O LYS A 28 3.576 6.203 7.001 1.00 0.00 O ATOM 475 CB LYS A 28 4.137 3.326 8.426 1.00 0.00 C ATOM 476 CG LYS A 28 4.180 2.674 9.799 1.00 0.00 C ATOM 477 CD LYS A 28 5.178 1.538 9.859 1.00 0.00 C ATOM 478 CE LYS A 28 6.539 1.946 9.323 1.00 0.00 C ATOM 479 NZ LYS A 28 7.564 0.903 9.578 1.00 0.00 N ATOM 0 H LYS A 28 1.856 2.477 7.957 1.00 0.00 H new ATOM 0 HA LYS A 28 2.874 4.940 9.077 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.115 2.549 7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.052 3.898 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.439 3.423 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.189 2.299 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.281 1.200 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.800 0.693 9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.467 2.132 8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.848 2.882 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.480 1.216 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.650 0.744 10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.281 0.017 9.112 1.00 0.00 H new ATOM 493 N PHE A 29 2.672 4.507 5.846 1.00 0.00 N ATOM 494 CA PHE A 29 2.754 5.193 4.565 1.00 0.00 C ATOM 495 C PHE A 29 1.467 5.950 4.282 1.00 0.00 C ATOM 496 O PHE A 29 1.304 6.529 3.213 1.00 0.00 O ATOM 497 CB PHE A 29 3.042 4.197 3.439 1.00 0.00 C ATOM 498 CG PHE A 29 4.386 3.543 3.566 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.493 4.092 2.948 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.543 2.388 4.313 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.732 3.503 3.073 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.780 1.790 4.441 1.00 0.00 C ATOM 503 CZ PHE A 29 6.879 2.350 3.821 1.00 0.00 C ATOM 0 H PHE A 29 2.271 3.571 5.797 1.00 0.00 H new ATOM 0 HA PHE A 29 3.575 5.909 4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.269 3.429 3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.984 4.713 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.386 4.992 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.686 1.949 4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.590 3.943 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.888 0.887 5.024 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.850 1.889 3.920 1.00 0.00 H new ATOM 513 N GLN A 30 0.563 5.944 5.257 1.00 0.00 N ATOM 514 CA GLN A 30 -0.698 6.637 5.164 1.00 0.00 C ATOM 515 C GLN A 30 -0.495 8.092 4.784 1.00 0.00 C ATOM 516 O GLN A 30 -1.225 8.630 3.957 1.00 0.00 O ATOM 517 CB GLN A 30 -1.405 6.540 6.507 1.00 0.00 C ATOM 518 CG GLN A 30 -2.747 7.183 6.517 1.00 0.00 C ATOM 519 CD GLN A 30 -3.383 7.193 7.893 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.209 8.135 8.663 1.00 0.00 O ATOM 521 NE2 GLN A 30 -4.110 6.137 8.213 1.00 0.00 N ATOM 0 H GLN A 30 0.696 5.450 6.139 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.305 6.174 4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.512 5.490 6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.782 7.005 7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.657 8.208 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.402 6.657 5.823 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.228 5.377 7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.553 6.082 9.130 1.00 0.00 H new ATOM 530 N ASP A 31 0.509 8.716 5.383 1.00 0.00 N ATOM 531 CA ASP A 31 0.808 10.111 5.108 1.00 0.00 C ATOM 532 C ASP A 31 1.206 10.294 3.650 1.00 0.00 C ATOM 533 O ASP A 31 0.793 11.256 3.012 1.00 0.00 O ATOM 534 CB ASP A 31 1.919 10.614 6.034 1.00 0.00 C ATOM 535 CG ASP A 31 2.233 12.085 5.834 1.00 0.00 C ATOM 536 OD1 ASP A 31 3.173 12.404 5.075 1.00 0.00 O ATOM 537 OD2 ASP A 31 1.548 12.931 6.449 1.00 0.00 O ATOM 0 H ASP A 31 1.130 8.277 6.063 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.090 10.699 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.624 10.448 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.822 10.028 5.862 1.00 0.00 H new ATOM 542 N ASP A 32 1.975 9.347 3.114 1.00 0.00 N ATOM 543 CA ASP A 32 2.360 9.390 1.706 1.00 0.00 C ATOM 544 C ASP A 32 1.139 9.172 0.836 1.00 0.00 C ATOM 545 O ASP A 32 0.830 9.979 -0.029 1.00 0.00 O ATOM 546 CB ASP A 32 3.404 8.322 1.362 1.00 0.00 C ATOM 547 CG ASP A 32 4.825 8.725 1.693 1.00 0.00 C ATOM 548 OD1 ASP A 32 5.269 8.494 2.835 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.517 9.249 0.789 1.00 0.00 O ATOM 0 H ASP A 32 2.341 8.547 3.630 1.00 0.00 H new ATOM 0 HA ASP A 32 2.798 10.371 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.162 7.405 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.340 8.094 0.298 1.00 0.00 H new ATOM 554 N ILE A 33 0.440 8.079 1.094 1.00 0.00 N ATOM 555 CA ILE A 33 -0.739 7.701 0.324 1.00 0.00 C ATOM 556 C ILE A 33 -1.781 8.822 0.321 1.00 0.00 C ATOM 557 O ILE A 33 -2.461 9.057 -0.680 1.00 0.00 O ATOM 558 CB ILE A 33 -1.359 6.413 0.902 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.307 5.303 0.939 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.558 5.978 0.073 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.717 4.084 1.728 1.00 0.00 C ATOM 0 H ILE A 33 0.672 7.427 1.843 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.426 7.522 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.701 6.613 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.080 5.000 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.613 5.704 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.982 5.067 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.311 6.766 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.242 5.788 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.086 3.347 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.915 4.369 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.618 3.654 1.291 1.00 0.00 H new ATOM 573 N LYS A 34 -1.873 9.532 1.431 1.00 0.00 N ATOM 574 CA LYS A 34 -2.837 10.604 1.579 1.00 0.00 C ATOM 575 C LYS A 34 -2.313 11.876 0.935 1.00 0.00 C ATOM 576 O LYS A 34 -3.065 12.642 0.340 1.00 0.00 O ATOM 577 CB LYS A 34 -3.130 10.817 3.059 1.00 0.00 C ATOM 578 CG LYS A 34 -4.225 11.831 3.328 1.00 0.00 C ATOM 579 CD LYS A 34 -3.650 13.202 3.634 1.00 0.00 C ATOM 580 CE LYS A 34 -4.739 14.234 3.876 1.00 0.00 C ATOM 581 NZ LYS A 34 -5.546 14.499 2.656 1.00 0.00 N ATOM 0 H LYS A 34 -1.284 9.382 2.250 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.765 10.335 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.414 9.863 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.217 11.142 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.883 11.896 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.835 11.496 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.009 13.138 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.022 13.525 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.395 13.887 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.285 15.164 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.159 15.323 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.911 14.692 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.133 13.668 2.440 1.00 0.00 H new ATOM 595 N ASP A 35 -1.024 12.089 1.065 1.00 0.00 N ATOM 596 CA ASP A 35 -0.363 13.217 0.425 1.00 0.00 C ATOM 597 C ASP A 35 -0.453 13.103 -1.093 1.00 0.00 C ATOM 598 O ASP A 35 -0.911 14.022 -1.777 1.00 0.00 O ATOM 599 CB ASP A 35 1.100 13.277 0.851 1.00 0.00 C ATOM 600 CG ASP A 35 1.834 14.483 0.302 1.00 0.00 C ATOM 601 OD1 ASP A 35 1.980 15.483 1.035 1.00 0.00 O ATOM 602 OD2 ASP A 35 2.292 14.428 -0.859 1.00 0.00 O ATOM 0 H ASP A 35 -0.402 11.493 1.612 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.867 14.132 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.154 13.292 1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.606 12.370 0.519 1.00 0.00 H new ATOM 607 N LYS A 36 -0.021 11.961 -1.611 1.00 0.00 N ATOM 608 CA LYS A 36 0.016 11.725 -3.046 1.00 0.00 C ATOM 609 C LYS A 36 -1.386 11.605 -3.637 1.00 0.00 C ATOM 610 O LYS A 36 -1.740 12.336 -4.560 1.00 0.00 O ATOM 611 CB LYS A 36 0.809 10.458 -3.351 1.00 0.00 C ATOM 612 CG LYS A 36 2.110 10.366 -2.585 1.00 0.00 C ATOM 613 CD LYS A 36 3.003 9.289 -3.126 1.00 0.00 C ATOM 614 CE LYS A 36 4.091 8.942 -2.134 1.00 0.00 C ATOM 615 NZ LYS A 36 4.878 10.132 -1.718 1.00 0.00 N ATOM 0 H LYS A 36 0.312 11.176 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 36 0.504 12.585 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.195 9.588 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.021 10.419 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.627 11.324 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.899 10.169 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.413 8.400 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.451 9.619 -4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.643 8.480 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.760 8.204 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.481 9.883 -0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.474 10.448 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.230 10.898 -1.445 1.00 0.00 H new ATOM 629 N TYR A 37 -2.182 10.694 -3.097 1.00 0.00 N ATOM 630 CA TYR A 37 -3.473 10.371 -3.692 1.00 0.00 C ATOM 631 C TYR A 37 -4.620 10.979 -2.896 1.00 0.00 C ATOM 632 O TYR A 37 -5.618 11.425 -3.460 1.00 0.00 O ATOM 633 CB TYR A 37 -3.656 8.855 -3.755 1.00 0.00 C ATOM 634 CG TYR A 37 -2.459 8.105 -4.292 1.00 0.00 C ATOM 635 CD1 TYR A 37 -1.981 8.337 -5.574 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.815 7.153 -3.512 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.895 7.640 -6.064 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.727 6.456 -3.994 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.273 6.700 -5.270 1.00 0.00 C ATOM 640 OH TYR A 37 0.801 5.996 -5.758 1.00 0.00 O ATOM 0 H TYR A 37 -1.960 10.167 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.487 10.791 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.882 8.486 -2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.521 8.631 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.466 9.074 -6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.172 6.955 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.534 7.830 -7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.234 5.723 -3.373 1.00 0.00 H new ATOM 0 HH TYR A 37 1.285 6.547 -6.408 1.00 0.00 H new ATOM 650 N GLY A 38 -4.470 10.991 -1.583 1.00 0.00 N ATOM 651 CA GLY A 38 -5.544 11.444 -0.719 1.00 0.00 C ATOM 652 C GLY A 38 -6.449 10.301 -0.316 1.00 0.00 C ATOM 653 O GLY A 38 -7.629 10.278 -0.665 1.00 0.00 O ATOM 0 H GLY A 38 -3.624 10.695 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.124 11.909 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.128 12.208 -1.232 1.00 0.00 H new ATOM 657 N VAL A 39 -5.893 9.347 0.415 1.00 0.00 N ATOM 658 CA VAL A 39 -6.598 8.128 0.760 1.00 0.00 C ATOM 659 C VAL A 39 -6.588 7.899 2.268 1.00 0.00 C ATOM 660 O VAL A 39 -5.707 8.392 2.977 1.00 0.00 O ATOM 661 CB VAL A 39 -5.919 6.920 0.087 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.711 5.644 0.303 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.711 7.169 -1.400 1.00 0.00 C ATOM 0 H VAL A 39 -4.943 9.398 0.783 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.627 8.231 0.414 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.944 6.794 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.202 4.813 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.792 5.442 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.708 5.759 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.230 6.301 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.675 7.339 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.078 8.046 -1.537 1.00 0.00 H new ATOM 673 N ASP A 40 -7.572 7.160 2.748 1.00 0.00 N ATOM 674 CA ASP A 40 -7.588 6.696 4.124 1.00 0.00 C ATOM 675 C ASP A 40 -7.253 5.209 4.162 1.00 0.00 C ATOM 676 O ASP A 40 -7.954 4.392 3.567 1.00 0.00 O ATOM 677 CB ASP A 40 -8.951 6.938 4.762 1.00 0.00 C ATOM 678 CG ASP A 40 -9.023 6.385 6.167 1.00 0.00 C ATOM 679 OD1 ASP A 40 -9.460 5.231 6.334 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.641 7.104 7.110 1.00 0.00 O ATOM 0 H ASP A 40 -8.379 6.866 2.198 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.843 7.254 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.157 8.008 4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.725 6.476 4.150 1.00 0.00 H new ATOM 685 N THR A 41 -6.179 4.859 4.850 1.00 0.00 N ATOM 686 CA THR A 41 -5.713 3.481 4.867 1.00 0.00 C ATOM 687 C THR A 41 -6.430 2.641 5.918 1.00 0.00 C ATOM 688 O THR A 41 -6.314 1.411 5.933 1.00 0.00 O ATOM 689 CB THR A 41 -4.203 3.408 5.108 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.844 4.191 6.251 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.432 3.895 3.891 1.00 0.00 C ATOM 0 H THR A 41 -5.615 5.506 5.402 1.00 0.00 H new ATOM 0 HA THR A 41 -5.943 3.071 3.884 1.00 0.00 H new ATOM 0 HB THR A 41 -3.943 2.365 5.289 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.854 3.625 7.051 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.362 3.833 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.679 3.272 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.702 4.930 3.679 1.00 0.00 H new ATOM 699 N LYS A 42 -7.175 3.299 6.790 1.00 0.00 N ATOM 700 CA LYS A 42 -7.921 2.612 7.816 1.00 0.00 C ATOM 701 C LYS A 42 -9.095 1.865 7.190 1.00 0.00 C ATOM 702 O LYS A 42 -9.456 0.771 7.632 1.00 0.00 O ATOM 703 CB LYS A 42 -8.403 3.612 8.867 1.00 0.00 C ATOM 704 CG LYS A 42 -9.369 3.017 9.865 1.00 0.00 C ATOM 705 CD LYS A 42 -9.817 4.037 10.896 1.00 0.00 C ATOM 706 CE LYS A 42 -10.933 3.490 11.771 1.00 0.00 C ATOM 707 NZ LYS A 42 -12.187 3.269 11.000 1.00 0.00 N ATOM 0 H LYS A 42 -7.276 4.314 6.803 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.276 1.884 8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.540 4.010 9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.883 4.452 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.240 2.626 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.897 2.174 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.970 4.321 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.159 4.941 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.613 2.550 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.127 4.185 12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.987 3.177 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.351 4.076 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.100 2.399 10.437 1.00 0.00 H new ATOM 721 N ASP A 43 -9.674 2.453 6.152 1.00 0.00 N ATOM 722 CA ASP A 43 -10.776 1.824 5.430 1.00 0.00 C ATOM 723 C ASP A 43 -10.279 0.698 4.530 1.00 0.00 C ATOM 724 O ASP A 43 -10.964 -0.311 4.362 1.00 0.00 O ATOM 725 CB ASP A 43 -11.526 2.857 4.585 1.00 0.00 C ATOM 726 CG ASP A 43 -12.655 2.232 3.783 1.00 0.00 C ATOM 727 OD1 ASP A 43 -12.455 1.941 2.584 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.746 2.015 4.353 1.00 0.00 O ATOM 0 H ASP A 43 -9.400 3.366 5.789 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.454 1.403 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.931 3.632 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.827 3.345 3.906 1.00 0.00 H new ATOM 733 N LEU A 44 -9.083 0.875 3.970 1.00 0.00 N ATOM 734 CA LEU A 44 -8.528 -0.056 2.992 1.00 0.00 C ATOM 735 C LEU A 44 -8.616 -1.503 3.453 1.00 0.00 C ATOM 736 O LEU A 44 -8.060 -1.890 4.484 1.00 0.00 O ATOM 737 CB LEU A 44 -7.080 0.291 2.682 1.00 0.00 C ATOM 738 CG LEU A 44 -6.858 1.667 2.054 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.391 1.865 1.725 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.712 1.831 0.806 1.00 0.00 C ATOM 0 H LEU A 44 -8.474 1.666 4.181 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.131 0.044 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.504 0.234 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.678 -0.466 2.009 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.158 2.428 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.248 2.849 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.800 1.791 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.069 1.097 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.540 2.817 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.445 1.064 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.765 1.730 1.070 1.00 0.00 H new ATOM 752 N LYS A 45 -9.319 -2.284 2.657 1.00 0.00 N ATOM 753 CA LYS A 45 -9.567 -3.685 2.928 1.00 0.00 C ATOM 754 C LYS A 45 -8.496 -4.544 2.269 1.00 0.00 C ATOM 755 O LYS A 45 -8.509 -4.742 1.059 1.00 0.00 O ATOM 756 CB LYS A 45 -10.949 -4.031 2.377 1.00 0.00 C ATOM 757 CG LYS A 45 -11.348 -5.481 2.510 1.00 0.00 C ATOM 758 CD LYS A 45 -12.697 -5.715 1.850 1.00 0.00 C ATOM 759 CE LYS A 45 -13.151 -7.156 1.963 1.00 0.00 C ATOM 760 NZ LYS A 45 -14.459 -7.372 1.288 1.00 0.00 N ATOM 0 H LYS A 45 -9.741 -1.956 1.788 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.534 -3.878 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.691 -3.418 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.982 -3.757 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.593 -6.118 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.397 -5.757 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.441 -5.065 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.637 -5.437 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.400 -7.811 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.234 -7.431 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.739 -8.369 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.181 -6.765 1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.373 -7.133 0.279 1.00 0.00 H new ATOM 774 N ILE A 46 -7.564 -5.045 3.061 1.00 0.00 N ATOM 775 CA ILE A 46 -6.431 -5.767 2.510 1.00 0.00 C ATOM 776 C ILE A 46 -6.806 -7.186 2.116 1.00 0.00 C ATOM 777 O ILE A 46 -7.416 -7.928 2.887 1.00 0.00 O ATOM 778 CB ILE A 46 -5.238 -5.790 3.480 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.808 -4.358 3.788 1.00 0.00 C ATOM 780 CG2 ILE A 46 -4.081 -6.586 2.886 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.517 -4.266 4.555 1.00 0.00 C ATOM 0 H ILE A 46 -7.568 -4.966 4.078 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.131 -5.227 1.612 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.538 -6.278 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.704 -3.810 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.596 -3.866 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.246 -6.591 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.403 -7.610 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.766 -6.126 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.276 -3.219 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.622 -4.785 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.717 -4.728 3.977 1.00 0.00 H new ATOM 793 N LEU A 47 -6.429 -7.540 0.904 1.00 0.00 N ATOM 794 CA LEU A 47 -6.727 -8.838 0.336 1.00 0.00 C ATOM 795 C LEU A 47 -5.507 -9.742 0.449 1.00 0.00 C ATOM 796 O LEU A 47 -5.604 -10.899 0.855 1.00 0.00 O ATOM 797 CB LEU A 47 -7.097 -8.673 -1.138 1.00 0.00 C ATOM 798 CG LEU A 47 -7.944 -7.439 -1.463 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.184 -7.342 -2.961 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.268 -7.481 -0.714 1.00 0.00 C ATOM 0 H LEU A 47 -5.902 -6.929 0.280 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.560 -9.285 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.179 -8.628 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.639 -9.562 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.397 -6.553 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.787 -6.460 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.228 -7.263 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.709 -8.234 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.853 -6.595 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.822 -8.374 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.078 -7.504 0.359 1.00 0.00 H new ATOM 812 N LYS A 48 -4.354 -9.192 0.093 1.00 0.00 N ATOM 813 CA LYS A 48 -3.117 -9.945 0.072 1.00 0.00 C ATOM 814 C LYS A 48 -1.932 -9.029 0.331 1.00 0.00 C ATOM 815 O LYS A 48 -1.597 -8.181 -0.493 1.00 0.00 O ATOM 816 CB LYS A 48 -2.952 -10.645 -1.278 1.00 0.00 C ATOM 817 CG LYS A 48 -1.681 -11.476 -1.388 1.00 0.00 C ATOM 818 CD LYS A 48 -1.758 -12.444 -2.552 1.00 0.00 C ATOM 819 CE LYS A 48 -0.498 -13.287 -2.680 1.00 0.00 C ATOM 820 NZ LYS A 48 0.701 -12.472 -3.012 1.00 0.00 N ATOM 0 H LYS A 48 -4.255 -8.216 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.155 -10.697 0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.813 -11.291 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.954 -9.895 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.822 -10.817 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.523 -12.029 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.620 -13.099 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.917 -11.888 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.324 -13.819 -1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.646 -14.041 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.418 -13.076 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.432 -11.709 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.093 -12.060 -2.141 1.00 0.00 H new ATOM 834 N THR A 49 -1.312 -9.192 1.482 1.00 0.00 N ATOM 835 CA THR A 49 -0.101 -8.460 1.791 1.00 0.00 C ATOM 836 C THR A 49 1.099 -9.267 1.325 1.00 0.00 C ATOM 837 O THR A 49 1.262 -10.421 1.711 1.00 0.00 O ATOM 838 CB THR A 49 0.018 -8.176 3.301 1.00 0.00 C ATOM 839 OG1 THR A 49 -1.142 -7.471 3.754 1.00 0.00 O ATOM 840 CG2 THR A 49 1.265 -7.356 3.605 1.00 0.00 C ATOM 0 H THR A 49 -1.626 -9.824 2.218 1.00 0.00 H new ATOM 0 HA THR A 49 -0.136 -7.501 1.274 1.00 0.00 H new ATOM 0 HB THR A 49 0.096 -9.130 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.978 -7.114 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.325 -7.169 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.149 -7.905 3.282 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.214 -6.406 3.074 1.00 0.00 H new ATOM 848 N SER A 50 1.903 -8.693 0.452 1.00 0.00 N ATOM 849 CA SER A 50 3.085 -9.374 -0.042 1.00 0.00 C ATOM 850 C SER A 50 4.119 -8.355 -0.505 1.00 0.00 C ATOM 851 O SER A 50 3.996 -7.160 -0.221 1.00 0.00 O ATOM 852 CB SER A 50 2.714 -10.301 -1.204 1.00 0.00 C ATOM 853 OG SER A 50 1.694 -11.215 -0.830 1.00 0.00 O ATOM 0 H SER A 50 1.760 -7.758 0.070 1.00 0.00 H new ATOM 0 HA SER A 50 3.508 -9.971 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.378 -9.706 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.597 -10.851 -1.529 1.00 0.00 H new ATOM 0 HG SER A 50 1.670 -11.296 0.146 1.00 0.00 H new ATOM 859 N GLU A 51 5.133 -8.835 -1.207 1.00 0.00 N ATOM 860 CA GLU A 51 6.151 -7.980 -1.790 1.00 0.00 C ATOM 861 C GLU A 51 7.018 -8.805 -2.728 1.00 0.00 C ATOM 862 O GLU A 51 6.897 -10.031 -2.760 1.00 0.00 O ATOM 863 CB GLU A 51 6.983 -7.303 -0.688 1.00 0.00 C ATOM 864 CG GLU A 51 7.620 -8.253 0.313 1.00 0.00 C ATOM 865 CD GLU A 51 8.964 -8.763 -0.146 1.00 0.00 C ATOM 866 OE1 GLU A 51 9.033 -9.898 -0.641 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.952 -8.011 -0.022 1.00 0.00 O ATOM 0 H GLU A 51 5.272 -9.829 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 51 5.679 -7.185 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.770 -6.714 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.343 -6.606 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.736 -7.743 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.953 -9.098 0.482 1.00 0.00 H new ATOM 874 N ASP A 52 7.869 -8.152 -3.501 1.00 0.00 N ATOM 875 CA ASP A 52 8.722 -8.873 -4.438 1.00 0.00 C ATOM 876 C ASP A 52 10.191 -8.700 -4.088 1.00 0.00 C ATOM 877 O ASP A 52 10.787 -9.574 -3.465 1.00 0.00 O ATOM 878 CB ASP A 52 8.447 -8.445 -5.884 1.00 0.00 C ATOM 879 CG ASP A 52 7.215 -9.126 -6.454 1.00 0.00 C ATOM 880 OD1 ASP A 52 7.246 -10.366 -6.622 1.00 0.00 O ATOM 881 OD2 ASP A 52 6.217 -8.432 -6.749 1.00 0.00 O ATOM 0 H ASP A 52 7.989 -7.139 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 52 8.481 -9.933 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.314 -7.364 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.312 -8.683 -6.503 1.00 0.00 H new ATOM 886 N LYS A 53 10.783 -7.585 -4.485 1.00 0.00 N ATOM 887 CA LYS A 53 12.162 -7.301 -4.116 1.00 0.00 C ATOM 888 C LYS A 53 12.276 -5.940 -3.450 1.00 0.00 C ATOM 889 O LYS A 53 12.141 -5.818 -2.242 1.00 0.00 O ATOM 890 CB LYS A 53 13.099 -7.376 -5.326 1.00 0.00 C ATOM 891 CG LYS A 53 13.343 -8.789 -5.841 1.00 0.00 C ATOM 892 CD LYS A 53 13.855 -9.716 -4.743 1.00 0.00 C ATOM 893 CE LYS A 53 15.069 -9.145 -4.022 1.00 0.00 C ATOM 894 NZ LYS A 53 16.215 -8.904 -4.938 1.00 0.00 N ATOM 0 H LYS A 53 10.337 -6.868 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 53 12.469 -8.068 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.681 -6.775 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.056 -6.929 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.417 -9.190 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.066 -8.758 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.058 -9.895 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.114 -10.681 -5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.792 -8.209 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.376 -9.833 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.036 -8.580 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.456 -9.787 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.956 -8.176 -5.634 1.00 0.00 H new ATOM 908 N ARG A 54 12.469 -4.904 -4.241 1.00 0.00 N ATOM 909 CA ARG A 54 12.690 -3.572 -3.695 1.00 0.00 C ATOM 910 C ARG A 54 11.375 -2.822 -3.561 1.00 0.00 C ATOM 911 O ARG A 54 11.339 -1.593 -3.500 1.00 0.00 O ATOM 912 CB ARG A 54 13.676 -2.812 -4.577 1.00 0.00 C ATOM 913 CG ARG A 54 15.061 -3.432 -4.558 1.00 0.00 C ATOM 914 CD ARG A 54 16.046 -2.676 -5.426 1.00 0.00 C ATOM 915 NE ARG A 54 17.384 -3.257 -5.332 1.00 0.00 N ATOM 916 CZ ARG A 54 18.255 -3.301 -6.335 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.963 -2.742 -7.502 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.425 -3.898 -6.166 1.00 0.00 N ATOM 0 H ARG A 54 12.478 -4.954 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 54 13.118 -3.661 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.303 -2.792 -5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.739 -1.777 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.430 -3.458 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.998 -4.465 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.710 -2.694 -6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.078 -1.630 -5.119 1.00 0.00 H new ATOM 0 HE ARG A 54 17.668 -3.655 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.066 -2.275 -7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.636 -2.779 -8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.656 -4.323 -5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.095 -3.933 -6.934 1.00 0.00 H new ATOM 932 N PHE A 55 10.296 -3.584 -3.463 1.00 0.00 N ATOM 933 CA PHE A 55 8.951 -3.028 -3.426 1.00 0.00 C ATOM 934 C PHE A 55 8.058 -3.903 -2.555 1.00 0.00 C ATOM 935 O PHE A 55 8.236 -5.122 -2.506 1.00 0.00 O ATOM 936 CB PHE A 55 8.326 -2.959 -4.832 1.00 0.00 C ATOM 937 CG PHE A 55 9.019 -2.061 -5.828 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.195 -2.454 -6.449 1.00 0.00 C ATOM 939 CD2 PHE A 55 8.474 -0.831 -6.160 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.813 -1.637 -7.376 1.00 0.00 C ATOM 941 CE2 PHE A 55 9.088 -0.011 -7.086 1.00 0.00 C ATOM 942 CZ PHE A 55 10.259 -0.414 -7.694 1.00 0.00 C ATOM 0 H PHE A 55 10.327 -4.602 -3.407 1.00 0.00 H new ATOM 0 HA PHE A 55 9.026 -2.019 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.297 -3.968 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.293 -2.626 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.633 -3.410 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.557 -0.510 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.729 -1.955 -7.851 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.652 0.945 -7.334 1.00 0.00 H new ATOM 0 HZ PHE A 55 10.741 0.227 -8.418 1.00 0.00 H new ATOM 952 N TYR A 56 7.140 -3.273 -1.842 1.00 0.00 N ATOM 953 CA TYR A 56 6.055 -3.983 -1.184 1.00 0.00 C ATOM 954 C TYR A 56 4.847 -3.993 -2.100 1.00 0.00 C ATOM 955 O TYR A 56 4.697 -3.099 -2.929 1.00 0.00 O ATOM 956 CB TYR A 56 5.678 -3.326 0.147 1.00 0.00 C ATOM 957 CG TYR A 56 6.543 -3.740 1.313 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.342 -4.958 1.948 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.545 -2.910 1.790 1.00 0.00 C ATOM 960 CE1 TYR A 56 7.117 -5.340 3.024 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.326 -3.284 2.865 1.00 0.00 C ATOM 962 CZ TYR A 56 8.109 -4.499 3.480 1.00 0.00 C ATOM 963 OH TYR A 56 8.887 -4.874 4.549 1.00 0.00 O ATOM 0 H TYR A 56 7.125 -2.263 -1.703 1.00 0.00 H new ATOM 0 HA TYR A 56 6.386 -5.000 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.736 -2.243 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.640 -3.567 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.565 -5.619 1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.717 -1.956 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.947 -6.292 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.105 -2.627 3.223 1.00 0.00 H new ATOM 0 HH TYR A 56 9.539 -4.169 4.742 1.00 0.00 H new ATOM 973 N TYR A 57 4.002 -4.998 -1.957 1.00 0.00 N ATOM 974 CA TYR A 57 2.814 -5.114 -2.786 1.00 0.00 C ATOM 975 C TYR A 57 1.624 -5.569 -1.952 1.00 0.00 C ATOM 976 O TYR A 57 1.471 -6.754 -1.651 1.00 0.00 O ATOM 977 CB TYR A 57 3.066 -6.077 -3.947 1.00 0.00 C ATOM 978 CG TYR A 57 3.985 -5.507 -5.004 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.500 -4.635 -5.969 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.335 -5.827 -5.026 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.335 -4.097 -6.928 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.176 -5.294 -5.983 1.00 0.00 C ATOM 983 CZ TYR A 57 5.672 -4.429 -6.930 1.00 0.00 C ATOM 984 OH TYR A 57 6.509 -3.890 -7.880 1.00 0.00 O ATOM 0 H TYR A 57 4.116 -5.747 -1.274 1.00 0.00 H new ATOM 0 HA TYR A 57 2.582 -4.133 -3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.498 -6.999 -3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.113 -6.340 -4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.452 -4.373 -5.970 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.734 -6.503 -4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.942 -3.420 -7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.224 -5.554 -5.989 1.00 0.00 H new ATOM 0 HH TYR A 57 7.420 -4.225 -7.741 1.00 0.00 H new ATOM 994 N VAL A 58 0.795 -4.613 -1.562 1.00 0.00 N ATOM 995 CA VAL A 58 -0.346 -4.893 -0.703 1.00 0.00 C ATOM 996 C VAL A 58 -1.658 -4.763 -1.475 1.00 0.00 C ATOM 997 O VAL A 58 -2.162 -3.658 -1.673 1.00 0.00 O ATOM 998 CB VAL A 58 -0.377 -3.940 0.516 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.476 -4.338 1.488 1.00 0.00 C ATOM 1000 CG2 VAL A 58 0.973 -3.918 1.214 1.00 0.00 C ATOM 0 H VAL A 58 0.891 -3.633 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.237 -5.918 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.593 -2.935 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.477 -3.653 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.441 -4.293 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.298 -5.354 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.930 -3.242 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.221 -4.922 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.737 -3.574 0.517 1.00 0.00 H new ATOM 1010 N SER A 59 -2.189 -5.892 -1.929 1.00 0.00 N ATOM 1011 CA SER A 59 -3.472 -5.915 -2.621 1.00 0.00 C ATOM 1012 C SER A 59 -4.585 -5.533 -1.662 1.00 0.00 C ATOM 1013 O SER A 59 -4.760 -6.173 -0.625 1.00 0.00 O ATOM 1014 CB SER A 59 -3.748 -7.308 -3.186 1.00 0.00 C ATOM 1015 OG SER A 59 -2.654 -7.782 -3.946 1.00 0.00 O ATOM 0 H SER A 59 -1.749 -6.807 -1.830 1.00 0.00 H new ATOM 0 HA SER A 59 -3.434 -5.198 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.952 -8.000 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.641 -7.279 -3.810 1.00 0.00 H new ATOM 0 HG SER A 59 -2.859 -8.675 -4.293 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.318 -4.484 -1.993 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.411 -4.023 -1.157 1.00 0.00 C ATOM 1023 C VAL A 60 -7.625 -3.663 -1.994 1.00 0.00 C ATOM 1024 O VAL A 60 -7.505 -3.286 -3.158 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.018 -2.784 -0.323 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.801 -3.077 0.531 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.771 -1.581 -1.221 1.00 0.00 C ATOM 0 H VAL A 60 -5.174 -3.933 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.649 -4.848 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.850 -2.544 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.541 -2.191 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.022 -3.902 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.963 -3.349 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.496 -0.721 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.962 -1.806 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.678 -1.353 -1.781 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.789 -3.792 -1.393 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.006 -3.285 -1.984 1.00 0.00 C ATOM 1039 C ASP A 61 -10.174 -1.844 -1.538 1.00 0.00 C ATOM 1040 O ASP A 61 -10.326 -1.570 -0.347 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.213 -4.118 -1.552 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.466 -3.770 -2.328 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.964 -2.630 -2.194 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.964 -4.644 -3.066 1.00 0.00 O ATOM 0 H ASP A 61 -8.917 -4.247 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.942 -3.344 -3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.988 -5.176 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.394 -3.965 -0.488 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.120 -0.928 -2.488 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.119 0.497 -2.179 1.00 0.00 C ATOM 1051 C ALA A 62 -11.513 1.002 -1.814 1.00 0.00 C ATOM 1052 O ALA A 62 -11.687 2.178 -1.501 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.563 1.278 -3.362 1.00 0.00 C ATOM 0 H ALA A 62 -10.076 -1.143 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.482 0.652 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.564 2.343 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.543 0.952 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.184 1.099 -4.240 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.504 0.116 -1.870 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.879 0.518 -1.623 1.00 0.00 C ATOM 1061 C GLY A 63 -14.489 1.183 -2.839 1.00 0.00 C ATOM 1062 O GLY A 63 -15.704 1.330 -2.947 1.00 0.00 O ATOM 0 H GLY A 63 -12.380 -0.874 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.471 -0.355 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.912 1.204 -0.777 1.00 0.00 H new ATOM 1066 N ASP A 64 -13.621 1.564 -3.761 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.013 2.243 -4.986 1.00 0.00 C ATOM 1068 C ASP A 64 -14.321 1.219 -6.077 1.00 0.00 C ATOM 1069 O ASP A 64 -14.721 1.564 -7.188 1.00 0.00 O ATOM 1070 CB ASP A 64 -12.874 3.173 -5.424 1.00 0.00 C ATOM 1071 CG ASP A 64 -13.234 4.066 -6.591 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -13.920 5.085 -6.374 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -12.803 3.776 -7.723 1.00 0.00 O ATOM 0 H ASP A 64 -12.616 1.410 -3.680 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.913 2.833 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.579 3.795 -4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.007 2.570 -5.693 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.142 -0.052 -5.738 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.331 -1.118 -6.701 1.00 0.00 C ATOM 1080 C GLY A 65 -13.012 -1.610 -7.250 1.00 0.00 C ATOM 1081 O GLY A 65 -12.934 -2.680 -7.851 1.00 0.00 O ATOM 0 H GLY A 65 -13.867 -0.364 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.861 -1.945 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.957 -0.763 -7.520 1.00 0.00 H new ATOM 1085 N GLU A 66 -11.973 -0.823 -7.029 1.00 0.00 N ATOM 1086 CA GLU A 66 -10.643 -1.145 -7.490 1.00 0.00 C ATOM 1087 C GLU A 66 -9.886 -1.936 -6.428 1.00 0.00 C ATOM 1088 O GLU A 66 -10.004 -1.662 -5.231 1.00 0.00 O ATOM 1089 CB GLU A 66 -9.924 0.156 -7.828 1.00 0.00 C ATOM 1090 CG GLU A 66 -8.430 0.022 -8.017 1.00 0.00 C ATOM 1091 CD GLU A 66 -8.061 -0.759 -9.262 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -8.274 -0.243 -10.377 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -7.550 -1.884 -9.130 1.00 0.00 O ATOM 0 H GLU A 66 -12.034 0.060 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.696 -1.771 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.356 0.568 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.113 0.877 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.985 1.016 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.001 -0.471 -7.145 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.126 -2.917 -6.881 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.327 -3.741 -5.999 1.00 0.00 C ATOM 1102 C LYS A 67 -6.854 -3.513 -6.300 1.00 0.00 C ATOM 1103 O LYS A 67 -6.237 -4.234 -7.085 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.699 -5.216 -6.150 1.00 0.00 C ATOM 1105 CG LYS A 67 -10.157 -5.507 -5.823 1.00 0.00 C ATOM 1106 CD LYS A 67 -10.490 -6.977 -6.000 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.970 -7.245 -5.770 1.00 0.00 C ATOM 1108 NZ LYS A 67 -12.399 -6.928 -4.380 1.00 0.00 N ATOM 0 H LYS A 67 -9.047 -3.162 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.525 -3.460 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.493 -5.532 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.062 -5.813 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.366 -5.208 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.801 -4.908 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.213 -7.295 -7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.899 -7.572 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.556 -6.652 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.183 -8.293 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.305 -7.398 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.679 -7.265 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.513 -5.899 -4.278 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.312 -2.489 -5.673 1.00 0.00 N ATOM 1123 CA CYS A 68 -4.970 -2.028 -5.965 1.00 0.00 C ATOM 1124 C CYS A 68 -3.965 -2.739 -5.087 1.00 0.00 C ATOM 1125 O CYS A 68 -4.217 -2.992 -3.915 1.00 0.00 O ATOM 1126 CB CYS A 68 -4.876 -0.530 -5.727 1.00 0.00 C ATOM 1127 SG CYS A 68 -3.378 0.239 -6.406 1.00 0.00 S ATOM 0 H CYS A 68 -6.789 -1.953 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.748 -2.247 -7.009 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.749 -0.048 -6.166 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.914 -0.341 -4.654 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.831 -3.045 -5.661 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.762 -3.708 -4.938 1.00 0.00 C ATOM 1134 C LYS A 69 -0.690 -2.682 -4.580 1.00 0.00 C ATOM 1135 O LYS A 69 0.248 -2.464 -5.345 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.180 -4.842 -5.789 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.185 -5.722 -5.060 1.00 0.00 C ATOM 1138 CD LYS A 69 0.380 -6.808 -5.966 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.702 -7.743 -6.479 1.00 0.00 C ATOM 1140 NZ LYS A 69 -0.137 -8.849 -7.293 1.00 0.00 N ATOM 0 H LYS A 69 -2.617 -2.845 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.150 -4.145 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.998 -5.463 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.693 -4.411 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.630 -5.108 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.670 -6.183 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.890 -6.346 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.127 -7.384 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.253 -8.158 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.415 -7.178 -7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.907 -9.465 -7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.368 -8.454 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.525 -9.404 -6.713 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.860 -2.034 -3.426 1.00 0.00 N ATOM 1155 CA PHE A 70 -0.002 -0.922 -3.011 1.00 0.00 C ATOM 1156 C PHE A 70 1.471 -1.245 -3.174 1.00 0.00 C ATOM 1157 O PHE A 70 1.973 -2.212 -2.609 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.294 -0.513 -1.569 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.367 0.525 -1.468 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -1.061 1.866 -1.622 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.680 0.164 -1.230 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -2.046 2.829 -1.541 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.668 1.123 -1.146 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.353 2.457 -1.302 1.00 0.00 C ATOM 0 H PHE A 70 -1.593 -2.264 -2.755 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.233 -0.084 -3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.591 -1.393 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.619 -0.131 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.039 2.162 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.935 -0.879 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.794 3.872 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.690 0.829 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.127 3.208 -1.237 1.00 0.00 H new ATOM 1174 N LYS A 71 2.152 -0.407 -3.941 1.00 0.00 N ATOM 1175 CA LYS A 71 3.531 -0.648 -4.297 1.00 0.00 C ATOM 1176 C LYS A 71 4.444 0.261 -3.500 1.00 0.00 C ATOM 1177 O LYS A 71 4.788 1.375 -3.916 1.00 0.00 O ATOM 1178 CB LYS A 71 3.729 -0.463 -5.803 1.00 0.00 C ATOM 1179 CG LYS A 71 5.184 -0.418 -6.244 1.00 0.00 C ATOM 1180 CD LYS A 71 5.297 -0.561 -7.744 1.00 0.00 C ATOM 1181 CE LYS A 71 4.700 0.624 -8.460 1.00 0.00 C ATOM 1182 NZ LYS A 71 5.536 1.841 -8.359 1.00 0.00 N ATOM 0 H LYS A 71 1.762 0.452 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 71 3.789 -1.678 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.228 -1.278 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.240 0.461 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.635 0.523 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.741 -1.217 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.346 -0.665 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.791 -1.472 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.559 0.373 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.713 0.832 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.925 2.671 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.187 1.749 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.084 1.960 -9.235 1.00 0.00 H new ATOM 1196 N ILE A 72 4.813 -0.216 -2.336 1.00 0.00 N ATOM 1197 CA ILE A 72 5.675 0.530 -1.456 1.00 0.00 C ATOM 1198 C ILE A 72 7.120 0.244 -1.802 1.00 0.00 C ATOM 1199 O ILE A 72 7.705 -0.729 -1.326 1.00 0.00 O ATOM 1200 CB ILE A 72 5.400 0.196 0.026 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.991 0.651 0.410 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.436 0.854 0.924 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.483 0.044 1.703 1.00 0.00 C ATOM 0 H ILE A 72 4.526 -1.126 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 72 5.470 1.592 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 72 5.470 -0.883 0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.982 1.737 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.304 0.393 -0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.225 0.607 1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.429 0.492 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.397 1.935 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.479 0.414 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.458 -1.042 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.147 0.323 2.521 1.00 0.00 H new ATOM 1215 N ARG A 73 7.662 1.048 -2.704 1.00 0.00 N ATOM 1216 CA ARG A 73 9.079 1.000 -3.004 1.00 0.00 C ATOM 1217 C ARG A 73 9.825 1.131 -1.702 1.00 0.00 C ATOM 1218 O ARG A 73 9.706 2.143 -1.014 1.00 0.00 O ATOM 1219 CB ARG A 73 9.460 2.138 -3.950 1.00 0.00 C ATOM 1220 CG ARG A 73 10.822 2.011 -4.612 1.00 0.00 C ATOM 1221 CD ARG A 73 10.899 2.929 -5.821 1.00 0.00 C ATOM 1222 NE ARG A 73 12.263 3.127 -6.313 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.623 2.977 -7.587 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.765 2.482 -8.470 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.840 3.323 -7.979 1.00 0.00 N ATOM 0 H ARG A 73 7.139 1.741 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 73 9.332 0.061 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.702 2.208 -4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.432 3.075 -3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.607 2.267 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.992 0.979 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.288 2.514 -6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.470 3.897 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 73 12.981 3.396 -5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.826 2.215 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.044 2.369 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.504 3.705 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.114 3.207 -8.955 1.00 0.00 H new ATOM 1239 N LYS A 74 10.532 0.087 -1.332 1.00 0.00 N ATOM 1240 CA LYS A 74 11.249 0.095 -0.075 1.00 0.00 C ATOM 1241 C LYS A 74 12.277 1.221 -0.077 1.00 0.00 C ATOM 1242 O LYS A 74 12.542 1.824 -1.120 1.00 0.00 O ATOM 1243 CB LYS A 74 11.929 -1.252 0.185 1.00 0.00 C ATOM 1244 CG LYS A 74 10.977 -2.443 0.201 1.00 0.00 C ATOM 1245 CD LYS A 74 11.675 -3.692 0.719 1.00 0.00 C ATOM 1246 CE LYS A 74 10.717 -4.864 0.887 1.00 0.00 C ATOM 1247 NZ LYS A 74 10.367 -5.510 -0.400 1.00 0.00 N ATOM 0 H LYS A 74 10.626 -0.770 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 74 10.533 0.264 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.686 -1.417 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.449 -1.205 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.116 -2.216 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.599 -2.624 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.471 -3.973 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.146 -3.471 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.168 -5.604 1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.806 -4.515 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.304 -6.539 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.451 -5.147 -0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.100 -5.297 -1.106 1.00 0.00 H new ATOM 1261 N ASP A 75 12.874 1.482 1.076 1.00 0.00 N ATOM 1262 CA ASP A 75 13.850 2.567 1.218 1.00 0.00 C ATOM 1263 C ASP A 75 15.172 2.182 0.537 1.00 0.00 C ATOM 1264 O ASP A 75 16.253 2.605 0.933 1.00 0.00 O ATOM 1265 CB ASP A 75 14.068 2.855 2.708 1.00 0.00 C ATOM 1266 CG ASP A 75 14.512 4.278 2.983 1.00 0.00 C ATOM 1267 OD1 ASP A 75 13.636 5.145 3.207 1.00 0.00 O ATOM 1268 OD2 ASP A 75 15.731 4.532 3.007 1.00 0.00 O ATOM 0 H ASP A 75 12.703 0.958 1.934 1.00 0.00 H new ATOM 0 HA ASP A 75 13.472 3.467 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.142 2.660 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.817 2.166 3.099 1.00 0.00 H new ATOM 1273 N VAL A 76 15.046 1.404 -0.533 1.00 0.00 N ATOM 1274 CA VAL A 76 16.170 0.818 -1.251 1.00 0.00 C ATOM 1275 C VAL A 76 16.852 1.849 -2.127 1.00 0.00 C ATOM 1276 O VAL A 76 17.912 1.603 -2.706 1.00 0.00 O ATOM 1277 CB VAL A 76 15.677 -0.316 -2.170 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.985 -1.396 -1.364 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.737 0.227 -3.241 1.00 0.00 C ATOM 0 H VAL A 76 14.140 1.159 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 76 16.870 0.439 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 76 16.546 -0.753 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.645 -2.187 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.683 -1.811 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.129 -0.968 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.401 -0.591 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.875 0.694 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.263 0.966 -3.846 1.00 0.00 H new ATOM 1289 N ASP A 77 16.229 3.000 -2.193 1.00 0.00 N ATOM 1290 CA ASP A 77 16.536 4.001 -3.206 1.00 0.00 C ATOM 1291 C ASP A 77 15.793 5.293 -2.902 1.00 0.00 C ATOM 1292 O ASP A 77 16.389 6.368 -2.846 1.00 0.00 O ATOM 1293 CB ASP A 77 16.124 3.462 -4.582 1.00 0.00 C ATOM 1294 CG ASP A 77 16.283 4.467 -5.703 1.00 0.00 C ATOM 1295 OD1 ASP A 77 15.257 4.848 -6.299 1.00 0.00 O ATOM 1296 OD2 ASP A 77 17.430 4.857 -6.013 1.00 0.00 O ATOM 0 H ASP A 77 15.490 3.278 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 77 17.606 4.210 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.721 2.579 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.083 3.140 -4.539 1.00 0.00 H new ATOM 1301 N VAL A 78 14.490 5.172 -2.687 1.00 0.00 N ATOM 1302 CA VAL A 78 13.665 6.314 -2.332 1.00 0.00 C ATOM 1303 C VAL A 78 13.238 6.223 -0.873 1.00 0.00 C ATOM 1304 O VAL A 78 13.076 5.132 -0.329 1.00 0.00 O ATOM 1305 CB VAL A 78 12.403 6.421 -3.214 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.776 6.538 -4.681 1.00 0.00 C ATOM 1307 CG2 VAL A 78 11.487 5.236 -2.983 1.00 0.00 C ATOM 0 H VAL A 78 13.982 4.290 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 78 14.273 7.204 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 78 11.866 7.326 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.870 6.612 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.385 7.429 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.341 5.657 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.603 5.331 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.014 4.315 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.184 5.209 -1.936 1.00 0.00 H new ATOM 1317 N PRO A 79 13.059 7.373 -0.229 1.00 0.00 N ATOM 1318 CA PRO A 79 12.648 7.452 1.168 1.00 0.00 C ATOM 1319 C PRO A 79 11.135 7.420 1.362 1.00 0.00 C ATOM 1320 O PRO A 79 10.631 7.946 2.351 1.00 0.00 O ATOM 1321 CB PRO A 79 13.176 8.816 1.576 1.00 0.00 C ATOM 1322 CG PRO A 79 13.058 9.640 0.347 1.00 0.00 C ATOM 1323 CD PRO A 79 13.285 8.707 -0.805 1.00 0.00 C ATOM 0 HA PRO A 79 13.020 6.606 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.594 9.239 2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 79 14.210 8.756 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.074 10.105 0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.792 10.445 0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.596 8.910 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.294 8.804 -1.205 1.00 0.00 H new ATOM 1331 N LYS A 80 10.411 6.797 0.444 1.00 0.00 N ATOM 1332 CA LYS A 80 8.953 6.795 0.509 1.00 0.00 C ATOM 1333 C LYS A 80 8.381 5.646 -0.306 1.00 0.00 C ATOM 1334 O LYS A 80 9.123 4.877 -0.908 1.00 0.00 O ATOM 1335 CB LYS A 80 8.403 8.113 -0.041 1.00 0.00 C ATOM 1336 CG LYS A 80 8.513 8.219 -1.553 1.00 0.00 C ATOM 1337 CD LYS A 80 8.176 9.609 -2.056 1.00 0.00 C ATOM 1338 CE LYS A 80 8.334 9.692 -3.565 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.728 9.410 -3.993 1.00 0.00 N ATOM 0 H LYS A 80 10.803 6.290 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 80 8.661 6.676 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.357 8.213 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.941 8.943 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.526 7.959 -1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.843 7.495 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.153 9.862 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.826 10.341 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.658 8.981 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.044 10.686 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.868 9.750 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.392 9.897 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.902 8.385 -3.956 1.00 0.00 H new ATOM 1353 N MET A 81 7.061 5.558 -0.342 1.00 0.00 N ATOM 1354 CA MET A 81 6.390 4.616 -1.218 1.00 0.00 C ATOM 1355 C MET A 81 6.270 5.242 -2.600 1.00 0.00 C ATOM 1356 O MET A 81 5.889 6.405 -2.729 1.00 0.00 O ATOM 1357 CB MET A 81 5.010 4.244 -0.675 1.00 0.00 C ATOM 1358 CG MET A 81 4.237 5.425 -0.124 1.00 0.00 C ATOM 1359 SD MET A 81 2.497 5.372 -0.559 1.00 0.00 S ATOM 1360 CE MET A 81 2.630 5.515 -2.333 1.00 0.00 C ATOM 0 H MET A 81 6.434 6.128 0.226 1.00 0.00 H new ATOM 0 HA MET A 81 6.973 3.697 -1.275 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.429 3.779 -1.471 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.127 3.498 0.111 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.336 5.445 0.961 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.674 6.349 -0.502 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.695 5.903 -2.738 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.444 6.195 -2.583 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.832 4.534 -2.763 1.00 0.00 H new ATOM 1370 N VAL A 82 6.626 4.489 -3.622 1.00 0.00 N ATOM 1371 CA VAL A 82 6.666 5.024 -4.975 1.00 0.00 C ATOM 1372 C VAL A 82 5.281 5.069 -5.619 1.00 0.00 C ATOM 1373 O VAL A 82 4.951 6.024 -6.316 1.00 0.00 O ATOM 1374 CB VAL A 82 7.622 4.210 -5.875 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.116 2.789 -6.064 1.00 0.00 C ATOM 1376 CG2 VAL A 82 7.815 4.896 -7.218 1.00 0.00 C ATOM 0 H VAL A 82 6.892 3.507 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 82 7.038 6.045 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 82 8.590 4.159 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.808 2.238 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.045 2.296 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.132 2.812 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.492 4.305 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.853 4.988 -7.721 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.239 5.888 -7.062 1.00 0.00 H new ATOM 1386 N GLY A 83 4.469 4.049 -5.375 1.00 0.00 N ATOM 1387 CA GLY A 83 3.218 3.945 -6.085 1.00 0.00 C ATOM 1388 C GLY A 83 2.296 2.898 -5.511 1.00 0.00 C ATOM 1389 O GLY A 83 2.255 2.678 -4.300 1.00 0.00 O ATOM 0 H GLY A 83 4.654 3.302 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.716 4.912 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.419 3.710 -7.130 1.00 0.00 H new ATOM 1393 N ARG A 84 1.590 2.220 -6.395 1.00 0.00 N ATOM 1394 CA ARG A 84 0.573 1.266 -6.004 1.00 0.00 C ATOM 1395 C ARG A 84 0.080 0.540 -7.247 1.00 0.00 C ATOM 1396 O ARG A 84 -0.490 1.146 -8.145 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.579 1.979 -5.272 1.00 0.00 C ATOM 1398 CG ARG A 84 -1.367 2.941 -6.143 1.00 0.00 C ATOM 1399 CD ARG A 84 -2.362 3.756 -5.336 1.00 0.00 C ATOM 1400 NE ARG A 84 -3.498 4.205 -6.152 1.00 0.00 N ATOM 1401 CZ ARG A 84 -3.404 4.962 -7.251 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -2.226 5.395 -7.684 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -4.504 5.276 -7.922 1.00 0.00 N ATOM 0 H ARG A 84 1.706 2.316 -7.404 1.00 0.00 H new ATOM 0 HA ARG A 84 0.992 0.536 -5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.260 1.228 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.171 2.526 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.678 3.613 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.897 2.381 -6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.729 3.157 -4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.858 4.623 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.431 3.917 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.375 5.151 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.172 5.971 -8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.412 4.941 -7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.442 5.853 -8.761 1.00 0.00 H new ATOM 1417 N LYS A 85 0.334 -0.750 -7.315 1.00 0.00 N ATOM 1418 CA LYS A 85 0.043 -1.519 -8.511 1.00 0.00 C ATOM 1419 C LYS A 85 -1.434 -1.888 -8.571 1.00 0.00 C ATOM 1420 O LYS A 85 -1.837 -2.981 -8.187 1.00 0.00 O ATOM 1421 CB LYS A 85 0.931 -2.764 -8.558 1.00 0.00 C ATOM 1422 CG LYS A 85 0.798 -3.580 -9.828 1.00 0.00 C ATOM 1423 CD LYS A 85 1.110 -2.744 -11.053 1.00 0.00 C ATOM 1424 CE LYS A 85 1.225 -3.606 -12.291 1.00 0.00 C ATOM 1425 NZ LYS A 85 2.430 -4.477 -12.251 1.00 0.00 N ATOM 0 H LYS A 85 0.743 -1.292 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 85 0.262 -0.908 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.971 -2.458 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.691 -3.399 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.473 -4.435 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.214 -3.977 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.327 -1.999 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.042 -2.201 -10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.333 -4.225 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.267 -2.969 -13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.635 -4.830 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.243 -3.930 -11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.256 -5.282 -11.615 1.00 0.00 H new ATOM 1439 N CYS A 86 -2.234 -0.942 -9.024 1.00 0.00 N ATOM 1440 CA CYS A 86 -3.668 -1.136 -9.163 1.00 0.00 C ATOM 1441 C CYS A 86 -3.980 -1.982 -10.385 1.00 0.00 C ATOM 1442 O CYS A 86 -3.112 -2.711 -10.874 1.00 0.00 O ATOM 1443 CB CYS A 86 -4.357 0.212 -9.313 1.00 0.00 C ATOM 1444 SG CYS A 86 -4.079 1.379 -7.934 1.00 0.00 S ATOM 0 H CYS A 86 -1.910 -0.017 -9.306 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.030 -1.647 -8.271 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.015 0.677 -10.237 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.429 0.046 -9.418 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.224 -1.875 -10.865 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.652 -2.533 -12.091 1.00 0.00 C ATOM 1451 C ARG A 87 -5.867 -4.016 -11.828 1.00 0.00 C ATOM 1452 O ARG A 87 -4.931 -4.816 -11.832 1.00 0.00 O ATOM 1453 CB ARG A 87 -4.643 -2.279 -13.207 1.00 0.00 C ATOM 1454 CG ARG A 87 -4.621 -0.835 -13.680 1.00 0.00 C ATOM 1455 CD ARG A 87 -3.558 -0.604 -14.742 1.00 0.00 C ATOM 1456 NE ARG A 87 -3.904 -1.239 -16.013 1.00 0.00 N ATOM 1457 CZ ARG A 87 -3.280 -0.993 -17.165 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -2.261 -0.141 -17.204 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -3.687 -1.587 -18.282 1.00 0.00 N ATOM 0 H ARG A 87 -5.956 -1.329 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.603 -2.117 -12.422 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.648 -2.555 -12.858 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.875 -2.927 -14.052 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.599 -0.569 -14.081 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.435 -0.177 -12.831 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.427 0.467 -14.896 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.603 -0.995 -14.390 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.670 -1.912 -16.018 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.954 0.327 -16.351 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.785 0.045 -18.087 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.477 -2.231 -18.258 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.209 -1.398 -19.163 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.123 -4.353 -11.586 1.00 0.00 N ATOM 1474 CA LYS A 88 -7.502 -5.648 -11.039 1.00 0.00 C ATOM 1475 C LYS A 88 -7.220 -6.800 -12.000 1.00 0.00 C ATOM 1476 O LYS A 88 -6.279 -7.570 -11.803 1.00 0.00 O ATOM 1477 CB LYS A 88 -8.991 -5.624 -10.681 1.00 0.00 C ATOM 1478 CG LYS A 88 -9.387 -4.425 -9.831 1.00 0.00 C ATOM 1479 CD LYS A 88 -10.897 -4.298 -9.649 1.00 0.00 C ATOM 1480 CE LYS A 88 -11.615 -3.881 -10.931 1.00 0.00 C ATOM 1481 NZ LYS A 88 -11.660 -4.963 -11.950 1.00 0.00 N ATOM 0 H LYS A 88 -7.914 -3.734 -11.764 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.895 -5.821 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.578 -5.619 -11.599 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.244 -6.539 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.914 -4.508 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.004 -3.516 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.299 -5.252 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.104 -3.567 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.633 -3.576 -10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.114 -3.011 -11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.616 -5.019 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.976 -4.757 -12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.419 -5.871 -11.503 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.031 -6.902 -13.042 1.00 0.00 N ATOM 1496 CA ASP A 89 -8.017 -8.073 -13.909 1.00 0.00 C ATOM 1497 C ASP A 89 -6.811 -8.084 -14.835 1.00 0.00 C ATOM 1498 O ASP A 89 -6.046 -9.050 -14.861 1.00 0.00 O ATOM 1499 CB ASP A 89 -9.309 -8.145 -14.729 1.00 0.00 C ATOM 1500 CG ASP A 89 -10.538 -8.310 -13.858 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -11.098 -7.287 -13.415 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -10.940 -9.463 -13.599 1.00 0.00 O ATOM 0 H ASP A 89 -8.708 -6.188 -13.309 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.947 -8.950 -13.266 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -9.409 -7.238 -15.325 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -9.247 -8.980 -15.427 1.00 0.00 H new ATOM 1507 N ASP A 90 -6.630 -7.016 -15.590 1.00 0.00 N ATOM 1508 CA ASP A 90 -5.559 -6.978 -16.573 1.00 0.00 C ATOM 1509 C ASP A 90 -4.773 -5.681 -16.477 1.00 0.00 C ATOM 1510 O ASP A 90 -5.302 -4.600 -16.744 1.00 0.00 O ATOM 1511 CB ASP A 90 -6.126 -7.143 -17.983 1.00 0.00 C ATOM 1512 CG ASP A 90 -5.049 -7.409 -19.016 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -4.705 -8.593 -19.225 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -4.549 -6.442 -19.625 1.00 0.00 O ATOM 0 H ASP A 90 -7.202 -6.173 -15.544 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.881 -7.805 -16.362 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.841 -7.965 -17.989 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.674 -6.242 -18.258 1.00 0.00 H new ATOM 1519 N ASP A 91 -3.517 -5.787 -16.075 1.00 0.00 N ATOM 1520 CA ASP A 91 -2.635 -4.634 -16.019 1.00 0.00 C ATOM 1521 C ASP A 91 -1.632 -4.679 -17.165 1.00 0.00 C ATOM 1522 O ASP A 91 -1.570 -5.657 -17.911 1.00 0.00 O ATOM 1523 CB ASP A 91 -1.906 -4.556 -14.671 1.00 0.00 C ATOM 1524 CG ASP A 91 -1.068 -5.782 -14.357 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.499 -6.600 -13.523 1.00 0.00 O ATOM 1526 OD2 ASP A 91 0.036 -5.923 -14.926 1.00 0.00 O ATOM 0 H ASP A 91 -3.085 -6.663 -15.782 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.246 -3.737 -16.121 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.262 -3.676 -14.667 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.641 -4.417 -13.878 1.00 0.00 H new ATOM 1531 N ASP A 92 -0.850 -3.621 -17.302 1.00 0.00 N ATOM 1532 CA ASP A 92 0.117 -3.513 -18.390 1.00 0.00 C ATOM 1533 C ASP A 92 1.407 -2.881 -17.886 1.00 0.00 C ATOM 1534 O ASP A 92 2.498 -3.411 -18.105 1.00 0.00 O ATOM 1535 CB ASP A 92 -0.475 -2.691 -19.540 1.00 0.00 C ATOM 1536 CG ASP A 92 0.529 -2.390 -20.637 1.00 0.00 C ATOM 1537 OD1 ASP A 92 1.012 -1.242 -20.702 1.00 0.00 O ATOM 1538 OD2 ASP A 92 0.821 -3.292 -21.448 1.00 0.00 O ATOM 0 H ASP A 92 -0.864 -2.819 -16.672 1.00 0.00 H new ATOM 0 HA ASP A 92 0.346 -4.512 -18.761 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.320 -3.232 -19.967 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.864 -1.753 -19.145 1.00 0.00 H new ATOM 1543 N ASP A 93 1.266 -1.741 -17.212 1.00 0.00 N ATOM 1544 CA ASP A 93 2.391 -1.083 -16.549 1.00 0.00 C ATOM 1545 C ASP A 93 3.097 -2.053 -15.618 1.00 0.00 C ATOM 1546 O ASP A 93 2.452 -2.710 -14.803 1.00 0.00 O ATOM 1547 CB ASP A 93 1.910 0.118 -15.725 1.00 0.00 C ATOM 1548 CG ASP A 93 1.410 1.269 -16.568 1.00 0.00 C ATOM 1549 OD1 ASP A 93 2.010 2.362 -16.503 1.00 0.00 O ATOM 1550 OD2 ASP A 93 0.401 1.095 -17.282 1.00 0.00 O ATOM 0 H ASP A 93 0.377 -1.251 -17.110 1.00 0.00 H new ATOM 0 HA ASP A 93 3.078 -0.743 -17.324 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.112 -0.206 -15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.729 0.468 -15.096 1.00 0.00 H new ATOM 1555 N ASP A 94 4.408 -2.150 -15.736 1.00 0.00 N ATOM 1556 CA ASP A 94 5.175 -2.994 -14.836 1.00 0.00 C ATOM 1557 C ASP A 94 5.484 -2.212 -13.574 1.00 0.00 C ATOM 1558 O ASP A 94 5.225 -2.672 -12.457 1.00 0.00 O ATOM 1559 CB ASP A 94 6.468 -3.470 -15.490 1.00 0.00 C ATOM 1560 CG ASP A 94 7.186 -4.487 -14.633 1.00 0.00 C ATOM 1561 OD1 ASP A 94 8.109 -4.105 -13.887 1.00 0.00 O ATOM 1562 OD2 ASP A 94 6.823 -5.683 -14.699 1.00 0.00 O ATOM 0 H ASP A 94 4.961 -1.660 -16.439 1.00 0.00 H new ATOM 0 HA ASP A 94 4.585 -3.878 -14.593 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.244 -3.907 -16.463 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.122 -2.616 -15.667 1.00 0.00 H new ATOM 1567 N GLY A 95 6.025 -1.017 -13.771 1.00 0.00 N ATOM 1568 CA GLY A 95 6.192 -0.085 -12.683 1.00 0.00 C ATOM 1569 C GLY A 95 4.914 0.694 -12.479 1.00 0.00 C ATOM 1570 O GLY A 95 3.910 0.399 -13.126 1.00 0.00 O ATOM 0 H GLY A 95 6.353 -0.678 -14.675 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.453 -0.620 -11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.014 0.597 -12.899 1.00 0.00 H new ATOM 1574 N TYR A 96 4.921 1.681 -11.599 1.00 0.00 N ATOM 1575 CA TYR A 96 3.704 2.429 -11.337 1.00 0.00 C ATOM 1576 C TYR A 96 4.034 3.690 -10.553 1.00 0.00 C ATOM 1577 O TYR A 96 3.927 3.659 -9.310 1.00 0.00 O ATOM 1578 CB TYR A 96 2.736 1.543 -10.553 1.00 0.00 C ATOM 1579 CG TYR A 96 1.276 1.891 -10.675 1.00 0.00 C ATOM 1580 CD1 TYR A 96 0.820 3.179 -10.454 1.00 0.00 C ATOM 1581 CD2 TYR A 96 0.348 0.905 -10.977 1.00 0.00 C ATOM 1582 CE1 TYR A 96 -0.524 3.478 -10.532 1.00 0.00 C ATOM 1583 CE2 TYR A 96 -0.996 1.191 -11.058 1.00 0.00 C ATOM 1584 CZ TYR A 96 -1.431 2.483 -10.832 1.00 0.00 C ATOM 1585 OH TYR A 96 -2.774 2.780 -10.909 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.459 4.681 -11.177 1.00 0.00 O ATOM 0 H TYR A 96 5.737 1.978 -11.064 1.00 0.00 H new ATOM 0 HA TYR A 96 3.237 2.723 -12.277 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.872 0.512 -10.880 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.012 1.582 -9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.527 3.961 -10.217 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.686 -0.106 -11.152 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.865 4.488 -10.359 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.705 0.412 -11.296 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.205 2.180 -11.553 1.00 0.00 H new TER 1596 TYR A 96