USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 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 11 LYS NZ :NH3+ -170:sc= 1.3 (180deg=1.16) USER MOD Set 1.2: A 56 TYR OH : rot 60:sc= 1.01 USER MOD Single : A 0 SER OG : rot 57:sc= -1.81! USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= -0.0467 (180deg=-0.225) USER MOD Single : A -1 GLY N :NH3+ 171:sc= 1.26 (180deg=1.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.0202 (180deg=-0.237) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 1.09 (180deg=0.959) USER MOD Single : A 30 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.14) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= 0.011 (180deg=-0.0468) USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= 0.102 (180deg=-0.321) USER MOD Single : A 37 TYR OH : rot 114:sc= -1.05 USER MOD Single : A 41 THR OG1 : rot 130:sc= -0.537 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0931) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 87:sc= -0.312 USER MOD Single : A 50 SER OG : rot -19:sc= 0.259 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.114) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= -1.49! (180deg=-1.76!) USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= 0.936 (180deg=-0.328) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0.658 (180deg=0.608) USER MOD Single : A 81 MET CE :methyl -121:sc= -13.1! (180deg=-13.4!) USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.852) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0.00846 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.816 8.695 4.271 1.00 0.00 N ATOM 2 CA GLY A -1 8.040 7.890 4.495 1.00 0.00 C ATOM 3 C GLY A -1 7.886 6.480 3.976 1.00 0.00 C ATOM 4 O GLY A -1 6.866 6.152 3.374 1.00 0.00 O ATOM 0 H1 GLY A -1 6.901 9.603 4.772 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.698 8.871 3.253 1.00 0.00 H new ATOM 0 H3 GLY A -1 5.989 8.177 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.886 8.369 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.267 7.862 5.561 1.00 0.00 H new ATOM 10 N SER A 0 8.890 5.643 4.207 1.00 0.00 N ATOM 11 CA SER A 0 8.849 4.265 3.741 1.00 0.00 C ATOM 12 C SER A 0 9.711 3.359 4.615 1.00 0.00 C ATOM 13 O SER A 0 10.238 2.370 4.127 1.00 0.00 O ATOM 14 CB SER A 0 9.325 4.199 2.289 1.00 0.00 C ATOM 15 OG SER A 0 10.551 4.896 2.125 1.00 0.00 O ATOM 0 H SER A 0 9.739 5.894 4.713 1.00 0.00 H new ATOM 0 HA SER A 0 7.820 3.912 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.451 3.158 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.567 4.629 1.634 1.00 0.00 H new ATOM 0 HG SER A 0 11.220 4.529 2.740 1.00 0.00 H new ATOM 21 N LEU A 1 9.800 3.686 5.911 1.00 0.00 N ATOM 22 CA LEU A 1 10.691 2.987 6.860 1.00 0.00 C ATOM 23 C LEU A 1 10.531 1.475 6.772 1.00 0.00 C ATOM 24 O LEU A 1 9.654 0.906 7.424 1.00 0.00 O ATOM 25 CB LEU A 1 10.403 3.393 8.317 1.00 0.00 C ATOM 26 CG LEU A 1 10.182 4.883 8.607 1.00 0.00 C ATOM 27 CD1 LEU A 1 11.200 5.743 7.873 1.00 0.00 C ATOM 28 CD2 LEU A 1 8.754 5.294 8.270 1.00 0.00 C ATOM 0 H LEU A 1 9.260 4.440 6.335 1.00 0.00 H new ATOM 0 HA LEU A 1 11.704 3.277 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.517 2.851 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.235 3.050 8.932 1.00 0.00 H new ATOM 0 HG LEU A 1 10.330 5.046 9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.018 6.794 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.205 5.472 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.107 5.580 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.621 6.354 8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 1 8.562 5.110 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.056 4.712 8.872 1.00 0.00 H new ATOM 40 N ILE A 2 11.380 0.830 5.983 1.00 0.00 N ATOM 41 CA ILE A 2 11.256 -0.600 5.730 1.00 0.00 C ATOM 42 C ILE A 2 12.624 -1.267 5.601 1.00 0.00 C ATOM 43 O ILE A 2 12.923 -2.225 6.315 1.00 0.00 O ATOM 44 CB ILE A 2 10.431 -0.879 4.442 1.00 0.00 C ATOM 45 CG1 ILE A 2 8.962 -0.479 4.624 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.522 -2.340 4.040 1.00 0.00 C ATOM 47 CD1 ILE A 2 8.274 -1.172 5.783 1.00 0.00 C ATOM 0 H ILE A 2 12.164 1.275 5.506 1.00 0.00 H new ATOM 0 HA ILE A 2 10.734 -1.024 6.588 1.00 0.00 H new ATOM 0 HB ILE A 2 10.860 -0.270 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.905 0.599 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.419 -0.703 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.936 -2.506 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.563 -2.601 3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.133 -2.964 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.239 -0.836 5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.297 -2.251 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.791 -0.928 6.711 1.00 0.00 H new ATOM 59 N LEU A 3 13.453 -0.764 4.690 1.00 0.00 N ATOM 60 CA LEU A 3 14.713 -1.425 4.364 1.00 0.00 C ATOM 61 C LEU A 3 15.934 -0.615 4.771 1.00 0.00 C ATOM 62 O LEU A 3 17.058 -1.076 4.588 1.00 0.00 O ATOM 63 CB LEU A 3 14.780 -1.723 2.872 1.00 0.00 C ATOM 64 CG LEU A 3 14.846 -3.204 2.514 1.00 0.00 C ATOM 65 CD1 LEU A 3 13.602 -3.927 3.008 1.00 0.00 C ATOM 66 CD2 LEU A 3 15.013 -3.377 1.015 1.00 0.00 C ATOM 0 H LEU A 3 13.276 0.094 4.167 1.00 0.00 H new ATOM 0 HA LEU A 3 14.732 -2.352 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.905 -1.286 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.655 -1.224 2.456 1.00 0.00 H new ATOM 0 HG LEU A 3 15.712 -3.644 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.666 -4.983 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.529 -3.828 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.718 -3.490 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.059 -4.439 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.166 -2.924 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.935 -2.892 0.693 1.00 0.00 H new ATOM 78 N ASP A 4 15.717 0.587 5.297 1.00 0.00 N ATOM 79 CA ASP A 4 16.818 1.440 5.756 1.00 0.00 C ATOM 80 C ASP A 4 17.815 1.691 4.628 1.00 0.00 C ATOM 81 O ASP A 4 19.030 1.603 4.820 1.00 0.00 O ATOM 82 CB ASP A 4 17.539 0.801 6.953 1.00 0.00 C ATOM 83 CG ASP A 4 16.661 0.684 8.181 1.00 0.00 C ATOM 84 OD1 ASP A 4 16.486 1.698 8.889 1.00 0.00 O ATOM 85 OD2 ASP A 4 16.154 -0.424 8.457 1.00 0.00 O ATOM 0 H ASP A 4 14.790 0.996 5.418 1.00 0.00 H new ATOM 0 HA ASP A 4 16.393 2.394 6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.892 -0.191 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.420 1.395 7.198 1.00 0.00 H new ATOM 90 N GLY A 5 17.297 2.013 3.453 1.00 0.00 N ATOM 91 CA GLY A 5 18.146 2.235 2.302 1.00 0.00 C ATOM 92 C GLY A 5 18.516 0.948 1.593 1.00 0.00 C ATOM 93 O GLY A 5 19.635 0.812 1.103 1.00 0.00 O ATOM 0 H GLY A 5 16.299 2.125 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 5 17.637 2.897 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 5 19.056 2.745 2.619 1.00 0.00 H new ATOM 97 N ASP A 6 17.566 0.014 1.543 1.00 0.00 N ATOM 98 CA ASP A 6 17.737 -1.271 0.848 1.00 0.00 C ATOM 99 C ASP A 6 18.925 -2.081 1.377 1.00 0.00 C ATOM 100 O ASP A 6 20.079 -1.828 1.027 1.00 0.00 O ATOM 101 CB ASP A 6 17.880 -1.056 -0.664 1.00 0.00 C ATOM 102 CG ASP A 6 18.096 -2.349 -1.430 1.00 0.00 C ATOM 103 OD1 ASP A 6 19.240 -2.614 -1.854 1.00 0.00 O ATOM 104 OD2 ASP A 6 17.122 -3.102 -1.637 1.00 0.00 O ATOM 0 H ASP A 6 16.652 0.123 1.983 1.00 0.00 H new ATOM 0 HA ASP A 6 16.837 -1.852 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 6 16.985 -0.562 -1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.718 -0.385 -0.852 1.00 0.00 H new ATOM 109 N LEU A 7 18.634 -3.049 2.234 1.00 0.00 N ATOM 110 CA LEU A 7 19.648 -3.990 2.704 1.00 0.00 C ATOM 111 C LEU A 7 19.024 -5.351 2.993 1.00 0.00 C ATOM 112 O LEU A 7 19.599 -6.178 3.702 1.00 0.00 O ATOM 113 CB LEU A 7 20.378 -3.442 3.944 1.00 0.00 C ATOM 114 CG LEU A 7 19.496 -2.837 5.046 1.00 0.00 C ATOM 115 CD1 LEU A 7 18.736 -3.915 5.807 1.00 0.00 C ATOM 116 CD2 LEU A 7 20.343 -2.005 5.998 1.00 0.00 C ATOM 0 H LEU A 7 17.703 -3.206 2.620 1.00 0.00 H new ATOM 0 HA LEU A 7 20.387 -4.116 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.963 -4.251 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 7 21.084 -2.680 3.615 1.00 0.00 H new ATOM 0 HG LEU A 7 18.759 -2.190 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.122 -3.451 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.097 -4.465 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.445 -4.601 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.707 -1.581 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 7 21.103 -2.638 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.827 -1.199 5.445 1.00 0.00 H new ATOM 128 N LEU A 8 17.853 -5.583 2.417 1.00 0.00 N ATOM 129 CA LEU A 8 17.113 -6.810 2.667 1.00 0.00 C ATOM 130 C LEU A 8 17.686 -7.961 1.855 1.00 0.00 C ATOM 131 O LEU A 8 17.420 -8.086 0.660 1.00 0.00 O ATOM 132 CB LEU A 8 15.636 -6.623 2.330 1.00 0.00 C ATOM 133 CG LEU A 8 14.721 -7.763 2.769 1.00 0.00 C ATOM 134 CD1 LEU A 8 14.756 -7.915 4.282 1.00 0.00 C ATOM 135 CD2 LEU A 8 13.301 -7.522 2.284 1.00 0.00 C ATOM 0 H LEU A 8 17.396 -4.937 1.773 1.00 0.00 H new ATOM 0 HA LEU A 8 17.207 -7.049 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.288 -5.700 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.539 -6.495 1.252 1.00 0.00 H new ATOM 0 HG LEU A 8 15.080 -8.690 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.099 -8.732 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.775 -8.133 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.419 -6.989 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.662 -8.344 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.927 -6.587 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.294 -7.461 1.196 1.00 0.00 H new ATOM 147 N LYS A 9 18.492 -8.778 2.506 1.00 0.00 N ATOM 148 CA LYS A 9 19.082 -9.948 1.873 1.00 0.00 C ATOM 149 C LYS A 9 18.742 -11.210 2.659 1.00 0.00 C ATOM 150 O LYS A 9 19.235 -12.294 2.358 1.00 0.00 O ATOM 151 CB LYS A 9 20.596 -9.774 1.752 1.00 0.00 C ATOM 152 CG LYS A 9 21.236 -9.207 3.006 1.00 0.00 C ATOM 153 CD LYS A 9 22.736 -9.061 2.856 1.00 0.00 C ATOM 154 CE LYS A 9 23.341 -8.346 4.054 1.00 0.00 C ATOM 155 NZ LYS A 9 22.951 -8.983 5.342 1.00 0.00 N ATOM 0 H LYS A 9 18.757 -8.653 3.483 1.00 0.00 H new ATOM 0 HA LYS A 9 18.666 -10.052 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.049 -10.739 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 9 20.813 -9.115 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.797 -8.235 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.017 -9.858 3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 9 23.191 -10.046 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.961 -8.505 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 9 24.427 -8.345 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.021 -7.304 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.549 -8.612 6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 21.954 -8.770 5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.077 -10.013 5.272 1.00 0.00 H new ATOM 169 N ASP A 10 17.890 -11.053 3.667 1.00 0.00 N ATOM 170 CA ASP A 10 17.393 -12.188 4.437 1.00 0.00 C ATOM 171 C ASP A 10 16.165 -12.765 3.745 1.00 0.00 C ATOM 172 O ASP A 10 16.243 -13.795 3.074 1.00 0.00 O ATOM 173 CB ASP A 10 17.049 -11.760 5.868 1.00 0.00 C ATOM 174 CG ASP A 10 16.347 -12.848 6.657 1.00 0.00 C ATOM 175 OD1 ASP A 10 17.029 -13.780 7.133 1.00 0.00 O ATOM 176 OD2 ASP A 10 15.112 -12.761 6.823 1.00 0.00 O ATOM 0 H ASP A 10 17.529 -10.149 3.970 1.00 0.00 H new ATOM 0 HA ASP A 10 18.169 -12.951 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.964 -11.475 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.413 -10.875 5.834 1.00 0.00 H new ATOM 181 N LYS A 11 15.039 -12.088 3.908 1.00 0.00 N ATOM 182 CA LYS A 11 13.854 -12.387 3.134 1.00 0.00 C ATOM 183 C LYS A 11 13.872 -11.544 1.870 1.00 0.00 C ATOM 184 O LYS A 11 14.777 -10.729 1.684 1.00 0.00 O ATOM 185 CB LYS A 11 12.602 -12.071 3.944 1.00 0.00 C ATOM 186 CG LYS A 11 12.526 -10.612 4.351 1.00 0.00 C ATOM 187 CD LYS A 11 11.215 -10.284 5.023 1.00 0.00 C ATOM 188 CE LYS A 11 11.113 -8.801 5.332 1.00 0.00 C ATOM 189 NZ LYS A 11 9.716 -8.381 5.601 1.00 0.00 N ATOM 0 H LYS A 11 14.925 -11.324 4.574 1.00 0.00 H new ATOM 0 HA LYS A 11 13.843 -13.446 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.720 -12.328 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.584 -12.695 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.349 -10.380 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.650 -9.982 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.388 -10.582 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.122 -10.858 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.734 -8.568 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.508 -8.228 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.667 -7.343 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.096 -8.729 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.404 -8.776 6.511 1.00 0.00 H new ATOM 203 N LEU A 12 12.877 -11.719 1.019 1.00 0.00 N ATOM 204 CA LEU A 12 12.784 -10.935 -0.201 1.00 0.00 C ATOM 205 C LEU A 12 11.450 -11.178 -0.883 1.00 0.00 C ATOM 206 O LEU A 12 10.762 -10.238 -1.284 1.00 0.00 O ATOM 207 CB LEU A 12 13.931 -11.286 -1.155 1.00 0.00 C ATOM 208 CG LEU A 12 14.061 -10.383 -2.383 1.00 0.00 C ATOM 209 CD1 LEU A 12 14.237 -8.929 -1.964 1.00 0.00 C ATOM 210 CD2 LEU A 12 15.234 -10.832 -3.237 1.00 0.00 C ATOM 0 H LEU A 12 12.124 -12.395 1.149 1.00 0.00 H new ATOM 0 HA LEU A 12 12.860 -9.880 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.868 -11.251 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.799 -12.314 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 12 13.146 -10.461 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.328 -8.303 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.372 -8.611 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.138 -8.832 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.319 -10.183 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.152 -10.776 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.074 -11.860 -3.563 1.00 0.00 H new ATOM 222 N LYS A 13 11.092 -12.445 -1.006 1.00 0.00 N ATOM 223 CA LYS A 13 9.871 -12.837 -1.685 1.00 0.00 C ATOM 224 C LYS A 13 9.000 -13.675 -0.762 1.00 0.00 C ATOM 225 O LYS A 13 9.182 -14.887 -0.646 1.00 0.00 O ATOM 226 CB LYS A 13 10.218 -13.613 -2.952 1.00 0.00 C ATOM 227 CG LYS A 13 11.046 -12.802 -3.937 1.00 0.00 C ATOM 228 CD LYS A 13 11.965 -13.694 -4.748 1.00 0.00 C ATOM 229 CE LYS A 13 12.942 -14.432 -3.845 1.00 0.00 C ATOM 230 NZ LYS A 13 13.898 -15.269 -4.612 1.00 0.00 N ATOM 0 H LYS A 13 11.637 -13.226 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 13 9.310 -11.944 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.767 -14.515 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.297 -13.935 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.384 -12.253 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.637 -12.063 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.373 -14.413 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.516 -13.093 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.496 -13.709 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.386 -15.063 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.543 -15.752 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.374 -15.977 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.449 -14.666 -5.256 1.00 0.00 H new ATOM 244 N LEU A 14 8.084 -13.014 -0.078 1.00 0.00 N ATOM 245 CA LEU A 14 7.208 -13.669 0.861 1.00 0.00 C ATOM 246 C LEU A 14 5.834 -13.904 0.246 1.00 0.00 C ATOM 247 O LEU A 14 5.450 -13.225 -0.708 1.00 0.00 O ATOM 248 CB LEU A 14 7.081 -12.807 2.113 1.00 0.00 C ATOM 249 CG LEU A 14 8.333 -12.730 2.989 1.00 0.00 C ATOM 250 CD1 LEU A 14 8.064 -11.875 4.217 1.00 0.00 C ATOM 251 CD2 LEU A 14 8.790 -14.122 3.401 1.00 0.00 C ATOM 0 H LEU A 14 7.931 -12.009 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 14 7.631 -14.639 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.807 -11.796 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.259 -13.193 2.717 1.00 0.00 H new ATOM 0 HG LEU A 14 9.131 -12.268 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.963 -11.828 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.785 -10.868 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.251 -12.314 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.681 -14.043 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.997 -14.614 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.020 -14.708 2.511 1.00 0.00 H new ATOM 263 N PRO A 15 5.083 -14.880 0.783 1.00 0.00 N ATOM 264 CA PRO A 15 3.712 -15.160 0.352 1.00 0.00 C ATOM 265 C PRO A 15 2.736 -14.090 0.817 1.00 0.00 C ATOM 266 O PRO A 15 3.135 -12.997 1.227 1.00 0.00 O ATOM 267 CB PRO A 15 3.399 -16.494 1.025 1.00 0.00 C ATOM 268 CG PRO A 15 4.252 -16.508 2.233 1.00 0.00 C ATOM 269 CD PRO A 15 5.518 -15.798 1.851 1.00 0.00 C ATOM 0 HA PRO A 15 3.618 -15.182 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.343 -16.570 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.627 -17.333 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.759 -16.006 3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.458 -17.529 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.947 -15.258 2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.279 -16.494 1.498 1.00 0.00 H new ATOM 277 N VAL A 16 1.456 -14.410 0.757 1.00 0.00 N ATOM 278 CA VAL A 16 0.428 -13.463 1.138 1.00 0.00 C ATOM 279 C VAL A 16 0.435 -13.201 2.640 1.00 0.00 C ATOM 280 O VAL A 16 0.127 -14.071 3.458 1.00 0.00 O ATOM 281 CB VAL A 16 -0.975 -13.900 0.669 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.304 -15.307 1.143 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.036 -12.904 1.130 1.00 0.00 C ATOM 0 H VAL A 16 1.106 -15.317 0.449 1.00 0.00 H new ATOM 0 HA VAL A 16 0.666 -12.530 0.628 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.973 -13.913 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.299 -15.584 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.571 -16.007 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.278 -15.339 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.017 -13.233 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.032 -12.846 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.817 -11.921 0.714 1.00 0.00 H new ATOM 293 N ILE A 17 0.832 -11.996 2.981 1.00 0.00 N ATOM 294 CA ILE A 17 0.785 -11.518 4.339 1.00 0.00 C ATOM 295 C ILE A 17 -0.461 -10.675 4.536 1.00 0.00 C ATOM 296 O ILE A 17 -1.146 -10.321 3.571 1.00 0.00 O ATOM 297 CB ILE A 17 2.034 -10.690 4.724 1.00 0.00 C ATOM 298 CG1 ILE A 17 2.623 -9.983 3.499 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.080 -11.558 5.397 1.00 0.00 C ATOM 300 CD1 ILE A 17 3.948 -9.294 3.758 1.00 0.00 C ATOM 0 H ILE A 17 1.200 -11.316 2.315 1.00 0.00 H new ATOM 0 HA ILE A 17 0.763 -12.393 4.989 1.00 0.00 H new ATOM 0 HB ILE A 17 1.719 -9.928 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.756 -10.713 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.906 -9.245 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.946 -10.949 5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.661 -11.997 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.386 -12.353 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.296 -8.818 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.820 -8.538 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.682 -10.029 4.087 1.00 0.00 H new ATOM 312 N ASP A 18 -0.716 -10.338 5.779 1.00 0.00 N ATOM 313 CA ASP A 18 -1.927 -9.632 6.186 1.00 0.00 C ATOM 314 C ASP A 18 -1.942 -9.589 7.695 1.00 0.00 C ATOM 315 O ASP A 18 -2.788 -8.951 8.312 1.00 0.00 O ATOM 316 CB ASP A 18 -3.200 -10.325 5.676 1.00 0.00 C ATOM 317 CG ASP A 18 -3.565 -11.557 6.479 1.00 0.00 C ATOM 318 OD1 ASP A 18 -4.527 -11.488 7.274 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.893 -12.597 6.323 1.00 0.00 O ATOM 0 H ASP A 18 -0.085 -10.546 6.553 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.917 -8.630 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.029 -9.618 5.708 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.061 -10.606 4.632 1.00 0.00 H new ATOM 324 N ASN A 19 -0.995 -10.321 8.269 1.00 0.00 N ATOM 325 CA ASN A 19 -0.726 -10.309 9.698 1.00 0.00 C ATOM 326 C ASN A 19 -0.230 -8.942 10.159 1.00 0.00 C ATOM 327 O ASN A 19 0.914 -8.808 10.594 1.00 0.00 O ATOM 328 CB ASN A 19 0.328 -11.372 10.011 1.00 0.00 C ATOM 329 CG ASN A 19 -0.280 -12.653 10.546 1.00 0.00 C ATOM 330 OD1 ASN A 19 -0.522 -12.780 11.745 1.00 0.00 O ATOM 331 ND2 ASN A 19 -0.502 -13.620 9.671 1.00 0.00 N ATOM 0 H ASN A 19 -0.384 -10.948 7.745 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.653 -10.524 10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.896 -11.593 9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.033 -10.976 10.742 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.888 -14.511 9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.287 -13.474 8.685 1.00 0.00 H new ATOM 338 N LEU A 20 -1.093 -7.929 10.022 1.00 0.00 N ATOM 339 CA LEU A 20 -0.790 -6.551 10.374 1.00 0.00 C ATOM 340 C LEU A 20 0.246 -5.925 9.442 1.00 0.00 C ATOM 341 O LEU A 20 0.228 -4.722 9.232 1.00 0.00 O ATOM 342 CB LEU A 20 -0.322 -6.452 11.820 1.00 0.00 C ATOM 343 CG LEU A 20 -1.360 -5.910 12.800 1.00 0.00 C ATOM 344 CD1 LEU A 20 -0.822 -5.959 14.220 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.755 -4.489 12.422 1.00 0.00 C ATOM 0 H LEU A 20 -2.037 -8.054 9.656 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.716 -5.988 10.258 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.012 -7.442 12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.560 -5.812 11.857 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.250 -6.537 12.749 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.573 -5.569 14.907 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.588 -6.990 14.485 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.081 -5.353 14.288 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.495 -4.117 13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.874 -3.848 12.447 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.179 -4.484 11.418 1.00 0.00 H new ATOM 357 N PHE A 21 1.114 -6.747 8.866 1.00 0.00 N ATOM 358 CA PHE A 21 2.254 -6.271 8.087 1.00 0.00 C ATOM 359 C PHE A 21 1.842 -5.309 6.971 1.00 0.00 C ATOM 360 O PHE A 21 2.462 -4.260 6.786 1.00 0.00 O ATOM 361 CB PHE A 21 3.015 -7.454 7.494 1.00 0.00 C ATOM 362 CG PHE A 21 4.461 -7.139 7.252 1.00 0.00 C ATOM 363 CD1 PHE A 21 5.384 -7.260 8.277 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.895 -6.708 6.012 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.714 -6.957 8.069 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.224 -6.407 5.799 1.00 0.00 C ATOM 367 CZ PHE A 21 7.135 -6.530 6.827 1.00 0.00 C ATOM 0 H PHE A 21 1.049 -7.763 8.925 1.00 0.00 H new ATOM 0 HA PHE A 21 2.899 -5.719 8.771 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.940 -8.306 8.169 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.548 -7.749 6.554 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.059 -7.596 9.251 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.187 -6.606 5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.424 -7.054 8.877 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.552 -6.074 4.825 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.175 -6.293 6.660 1.00 0.00 H new ATOM 377 N GLY A 22 0.791 -5.659 6.242 1.00 0.00 N ATOM 378 CA GLY A 22 0.359 -4.836 5.129 1.00 0.00 C ATOM 379 C GLY A 22 -0.324 -3.574 5.600 1.00 0.00 C ATOM 380 O GLY A 22 -0.141 -2.497 5.028 1.00 0.00 O ATOM 0 H GLY A 22 0.231 -6.496 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.220 -4.576 4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.324 -5.406 4.498 1.00 0.00 H new ATOM 384 N LYS A 23 -1.105 -3.715 6.659 1.00 0.00 N ATOM 385 CA LYS A 23 -1.835 -2.599 7.228 1.00 0.00 C ATOM 386 C LYS A 23 -0.864 -1.647 7.912 1.00 0.00 C ATOM 387 O LYS A 23 -1.059 -0.438 7.906 1.00 0.00 O ATOM 388 CB LYS A 23 -2.888 -3.120 8.208 1.00 0.00 C ATOM 389 CG LYS A 23 -3.828 -2.051 8.741 1.00 0.00 C ATOM 390 CD LYS A 23 -4.564 -1.329 7.618 1.00 0.00 C ATOM 391 CE LYS A 23 -5.597 -0.355 8.164 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.698 -1.056 8.875 1.00 0.00 N ATOM 0 H LYS A 23 -1.249 -4.601 7.144 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.348 -2.050 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.477 -3.892 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.382 -3.595 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.553 -2.508 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.260 -1.328 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.847 -0.791 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.055 -2.059 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.112 0.344 8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.010 0.233 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.496 -0.403 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.009 -1.874 8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.360 -1.383 9.803 1.00 0.00 H new ATOM 406 N GLU A 24 0.193 -2.214 8.475 1.00 0.00 N ATOM 407 CA GLU A 24 1.278 -1.458 9.052 1.00 0.00 C ATOM 408 C GLU A 24 1.881 -0.519 8.021 1.00 0.00 C ATOM 409 O GLU A 24 2.048 0.670 8.278 1.00 0.00 O ATOM 410 CB GLU A 24 2.330 -2.427 9.550 1.00 0.00 C ATOM 411 CG GLU A 24 2.085 -2.917 10.958 1.00 0.00 C ATOM 412 CD GLU A 24 2.361 -1.851 11.989 1.00 0.00 C ATOM 413 OE1 GLU A 24 3.511 -1.770 12.465 1.00 0.00 O ATOM 414 OE2 GLU A 24 1.444 -1.072 12.310 1.00 0.00 O ATOM 0 H GLU A 24 0.316 -3.224 8.541 1.00 0.00 H new ATOM 0 HA GLU A 24 0.903 -0.856 9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.369 -3.284 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.306 -1.944 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.051 -3.250 11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.717 -3.783 11.155 1.00 0.00 H new ATOM 421 N LEU A 25 2.207 -1.076 6.859 1.00 0.00 N ATOM 422 CA LEU A 25 2.708 -0.294 5.737 1.00 0.00 C ATOM 423 C LEU A 25 1.801 0.911 5.475 1.00 0.00 C ATOM 424 O LEU A 25 2.192 2.058 5.691 1.00 0.00 O ATOM 425 CB LEU A 25 2.748 -1.159 4.480 1.00 0.00 C ATOM 426 CG LEU A 25 3.733 -2.322 4.502 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.409 -3.294 3.382 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.163 -1.817 4.389 1.00 0.00 C ATOM 0 H LEU A 25 2.132 -2.076 6.670 1.00 0.00 H new ATOM 0 HA LEU A 25 3.711 0.055 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.749 -1.558 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.989 -0.520 3.630 1.00 0.00 H new ATOM 0 HG LEU A 25 3.640 -2.845 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.117 -4.123 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.397 -3.677 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.480 -2.781 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.850 -2.663 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.283 -1.271 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.382 -1.154 5.226 1.00 0.00 H new ATOM 440 N LEU A 26 0.580 0.623 5.023 1.00 0.00 N ATOM 441 CA LEU A 26 -0.410 1.638 4.718 1.00 0.00 C ATOM 442 C LEU A 26 -0.655 2.605 5.877 1.00 0.00 C ATOM 443 O LEU A 26 -0.935 3.777 5.653 1.00 0.00 O ATOM 444 CB LEU A 26 -1.716 0.956 4.324 1.00 0.00 C ATOM 445 CG LEU A 26 -1.735 0.375 2.912 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.890 -0.596 2.735 1.00 0.00 C ATOM 447 CD2 LEU A 26 -1.791 1.474 1.897 1.00 0.00 C ATOM 0 H LEU A 26 0.255 -0.330 4.860 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.022 2.236 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.920 0.155 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.528 1.677 4.416 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.812 -0.184 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.879 -0.994 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.789 -1.415 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.832 -0.077 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.804 1.044 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.694 2.065 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.916 2.114 2.006 1.00 0.00 H new ATOM 459 N ASP A 27 -0.572 2.118 7.108 1.00 0.00 N ATOM 460 CA ASP A 27 -0.794 2.968 8.278 1.00 0.00 C ATOM 461 C ASP A 27 0.324 3.991 8.442 1.00 0.00 C ATOM 462 O ASP A 27 0.061 5.179 8.610 1.00 0.00 O ATOM 463 CB ASP A 27 -0.925 2.120 9.548 1.00 0.00 C ATOM 464 CG ASP A 27 -0.955 2.954 10.815 1.00 0.00 C ATOM 465 OD1 ASP A 27 -2.001 3.576 11.106 1.00 0.00 O ATOM 466 OD2 ASP A 27 0.065 2.984 11.534 1.00 0.00 O ATOM 0 H ASP A 27 -0.354 1.146 7.325 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.727 3.508 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.836 1.525 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.091 1.420 9.599 1.00 0.00 H new ATOM 471 N LYS A 28 1.569 3.536 8.381 1.00 0.00 N ATOM 472 CA LYS A 28 2.709 4.442 8.516 1.00 0.00 C ATOM 473 C LYS A 28 2.750 5.398 7.342 1.00 0.00 C ATOM 474 O LYS A 28 2.945 6.604 7.499 1.00 0.00 O ATOM 475 CB LYS A 28 4.028 3.676 8.532 1.00 0.00 C ATOM 476 CG LYS A 28 4.071 2.512 9.487 1.00 0.00 C ATOM 477 CD LYS A 28 5.313 1.689 9.262 1.00 0.00 C ATOM 478 CE LYS A 28 5.115 0.276 9.755 1.00 0.00 C ATOM 479 NZ LYS A 28 4.853 0.232 11.217 1.00 0.00 N ATOM 0 H LYS A 28 1.817 2.557 8.241 1.00 0.00 H new ATOM 0 HA LYS A 28 2.586 4.980 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.232 3.310 7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.831 4.368 8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.050 2.876 10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.186 1.890 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.560 1.678 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.156 2.145 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.281 -0.181 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.001 -0.316 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.622 -0.742 11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.699 0.550 11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.054 0.857 11.445 1.00 0.00 H new ATOM 493 N PHE A 29 2.558 4.841 6.159 1.00 0.00 N ATOM 494 CA PHE A 29 2.747 5.585 4.930 1.00 0.00 C ATOM 495 C PHE A 29 1.437 6.194 4.462 1.00 0.00 C ATOM 496 O PHE A 29 1.323 6.616 3.316 1.00 0.00 O ATOM 497 CB PHE A 29 3.327 4.677 3.840 1.00 0.00 C ATOM 498 CG PHE A 29 4.443 3.791 4.322 1.00 0.00 C ATOM 499 CD1 PHE A 29 5.342 4.233 5.280 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.583 2.508 3.824 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.353 3.412 5.733 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.596 1.683 4.271 1.00 0.00 C ATOM 503 CZ PHE A 29 6.480 2.135 5.227 1.00 0.00 C ATOM 0 H PHE A 29 2.270 3.872 6.025 1.00 0.00 H new ATOM 0 HA PHE A 29 3.452 6.393 5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.529 4.054 3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.694 5.296 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.249 5.233 5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.892 2.147 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.044 3.768 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.696 0.684 3.872 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.271 1.490 5.580 1.00 0.00 H new ATOM 513 N GLN A 30 0.454 6.254 5.351 1.00 0.00 N ATOM 514 CA GLN A 30 -0.799 6.881 5.042 1.00 0.00 C ATOM 515 C GLN A 30 -0.565 8.347 4.713 1.00 0.00 C ATOM 516 O GLN A 30 -1.123 8.866 3.755 1.00 0.00 O ATOM 517 CB GLN A 30 -1.770 6.719 6.212 1.00 0.00 C ATOM 518 CG GLN A 30 -3.031 7.495 6.016 1.00 0.00 C ATOM 519 CD GLN A 30 -4.161 7.100 6.952 1.00 0.00 C ATOM 520 OE1 GLN A 30 -5.335 7.187 6.588 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.824 6.680 8.160 1.00 0.00 N ATOM 0 H GLN A 30 0.513 5.870 6.294 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.246 6.401 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.012 5.663 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.285 7.046 7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.816 8.555 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.366 7.367 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.840 6.622 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.548 6.414 8.828 1.00 0.00 H new ATOM 530 N ASP A 31 0.295 8.994 5.493 1.00 0.00 N ATOM 531 CA ASP A 31 0.699 10.368 5.214 1.00 0.00 C ATOM 532 C ASP A 31 1.337 10.465 3.837 1.00 0.00 C ATOM 533 O ASP A 31 1.105 11.419 3.103 1.00 0.00 O ATOM 534 CB ASP A 31 1.699 10.879 6.259 1.00 0.00 C ATOM 535 CG ASP A 31 1.084 11.095 7.624 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.330 12.072 7.796 1.00 0.00 O ATOM 537 OD2 ASP A 31 1.367 10.298 8.541 1.00 0.00 O ATOM 0 H ASP A 31 0.726 8.589 6.324 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.199 10.984 5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.518 10.165 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.130 11.817 5.910 1.00 0.00 H new ATOM 542 N ASP A 32 2.118 9.450 3.486 1.00 0.00 N ATOM 543 CA ASP A 32 2.852 9.429 2.223 1.00 0.00 C ATOM 544 C ASP A 32 1.881 9.273 1.061 1.00 0.00 C ATOM 545 O ASP A 32 1.882 10.058 0.114 1.00 0.00 O ATOM 546 CB ASP A 32 3.849 8.272 2.223 1.00 0.00 C ATOM 547 CG ASP A 32 5.033 8.494 1.304 1.00 0.00 C ATOM 548 OD1 ASP A 32 5.997 9.169 1.736 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.020 7.977 0.169 1.00 0.00 O ATOM 0 H ASP A 32 2.261 8.622 4.064 1.00 0.00 H new ATOM 0 HA ASP A 32 3.393 10.368 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.212 8.116 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.334 7.359 1.925 1.00 0.00 H new ATOM 554 N ILE A 33 1.026 8.269 1.175 1.00 0.00 N ATOM 555 CA ILE A 33 0.039 7.958 0.151 1.00 0.00 C ATOM 556 C ILE A 33 -1.004 9.073 0.037 1.00 0.00 C ATOM 557 O ILE A 33 -1.553 9.323 -1.038 1.00 0.00 O ATOM 558 CB ILE A 33 -0.659 6.613 0.472 1.00 0.00 C ATOM 559 CG1 ILE A 33 0.381 5.494 0.595 1.00 0.00 C ATOM 560 CG2 ILE A 33 -1.669 6.267 -0.608 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.110 4.267 1.336 1.00 0.00 C ATOM 0 H ILE A 33 0.996 7.645 1.981 1.00 0.00 H new ATOM 0 HA ILE A 33 0.557 7.874 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.185 6.715 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.699 5.198 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.260 5.885 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.150 5.319 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.423 7.052 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.160 6.181 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.687 3.524 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.400 4.546 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.970 3.847 0.815 1.00 0.00 H new ATOM 573 N LYS A 34 -1.257 9.760 1.141 1.00 0.00 N ATOM 574 CA LYS A 34 -2.263 10.808 1.178 1.00 0.00 C ATOM 575 C LYS A 34 -1.672 12.124 0.701 1.00 0.00 C ATOM 576 O LYS A 34 -2.370 12.975 0.155 1.00 0.00 O ATOM 577 CB LYS A 34 -2.811 10.950 2.585 1.00 0.00 C ATOM 578 CG LYS A 34 -4.152 11.651 2.647 1.00 0.00 C ATOM 579 CD LYS A 34 -4.721 11.585 4.045 1.00 0.00 C ATOM 580 CE LYS A 34 -6.163 12.062 4.096 1.00 0.00 C ATOM 581 NZ LYS A 34 -7.101 11.081 3.483 1.00 0.00 N ATOM 0 H LYS A 34 -0.776 9.608 2.027 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.081 10.537 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.908 9.960 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.093 11.503 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.039 12.692 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.844 11.187 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.665 10.560 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.113 12.196 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.450 12.237 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.247 13.016 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.598 11.527 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.567 10.257 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.794 10.773 4.194 1.00 0.00 H new ATOM 595 N ASP A 35 -0.378 12.286 0.919 1.00 0.00 N ATOM 596 CA ASP A 35 0.338 13.429 0.381 1.00 0.00 C ATOM 597 C ASP A 35 0.411 13.312 -1.132 1.00 0.00 C ATOM 598 O ASP A 35 0.134 14.265 -1.861 1.00 0.00 O ATOM 599 CB ASP A 35 1.750 13.508 0.957 1.00 0.00 C ATOM 600 CG ASP A 35 2.467 14.785 0.562 1.00 0.00 C ATOM 601 OD1 ASP A 35 3.075 14.822 -0.530 1.00 0.00 O ATOM 602 OD2 ASP A 35 2.426 15.761 1.345 1.00 0.00 O ATOM 0 H ASP A 35 0.196 11.642 1.463 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.198 14.337 0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.700 13.445 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.328 12.650 0.614 1.00 0.00 H new ATOM 607 N LYS A 36 0.781 12.121 -1.583 1.00 0.00 N ATOM 608 CA LYS A 36 0.878 11.820 -3.003 1.00 0.00 C ATOM 609 C LYS A 36 -0.479 11.869 -3.690 1.00 0.00 C ATOM 610 O LYS A 36 -0.717 12.707 -4.558 1.00 0.00 O ATOM 611 CB LYS A 36 1.494 10.443 -3.207 1.00 0.00 C ATOM 612 CG LYS A 36 2.997 10.422 -3.067 1.00 0.00 C ATOM 613 CD LYS A 36 3.468 9.076 -2.604 1.00 0.00 C ATOM 614 CE LYS A 36 4.969 8.925 -2.739 1.00 0.00 C ATOM 615 NZ LYS A 36 5.398 8.897 -4.161 1.00 0.00 N ATOM 0 H LYS A 36 1.022 11.338 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 36 1.513 12.584 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.061 9.751 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.225 10.078 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.460 10.665 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.312 11.187 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.181 8.929 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.971 8.298 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.464 9.750 -2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.287 8.007 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.952 8.035 -4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.560 8.903 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.983 9.733 -4.364 1.00 0.00 H new ATOM 629 N TYR A 37 -1.365 10.972 -3.289 1.00 0.00 N ATOM 630 CA TYR A 37 -2.627 10.778 -3.987 1.00 0.00 C ATOM 631 C TYR A 37 -3.794 11.339 -3.186 1.00 0.00 C ATOM 632 O TYR A 37 -4.741 11.890 -3.744 1.00 0.00 O ATOM 633 CB TYR A 37 -2.853 9.286 -4.228 1.00 0.00 C ATOM 634 CG TYR A 37 -1.665 8.569 -4.820 1.00 0.00 C ATOM 635 CD1 TYR A 37 -1.160 8.909 -6.069 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.052 7.538 -4.123 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.079 8.238 -6.604 1.00 0.00 C ATOM 638 CE2 TYR A 37 0.028 6.865 -4.648 1.00 0.00 C ATOM 639 CZ TYR A 37 0.512 7.217 -5.890 1.00 0.00 C ATOM 640 OH TYR A 37 1.586 6.540 -6.423 1.00 0.00 O ATOM 0 H TYR A 37 -1.233 10.364 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.574 11.310 -4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.115 8.812 -3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.707 9.162 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.620 9.710 -6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.429 7.258 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.302 8.511 -7.577 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.493 6.066 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 37 2.385 6.720 -5.885 1.00 0.00 H new ATOM 650 N GLY A 38 -3.715 11.194 -1.875 1.00 0.00 N ATOM 651 CA GLY A 38 -4.816 11.591 -1.018 1.00 0.00 C ATOM 652 C GLY A 38 -5.718 10.421 -0.693 1.00 0.00 C ATOM 653 O GLY A 38 -6.915 10.448 -0.969 1.00 0.00 O ATOM 0 H GLY A 38 -2.908 10.808 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.424 12.016 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.396 12.373 -1.508 1.00 0.00 H new ATOM 657 N VAL A 39 -5.138 9.387 -0.103 1.00 0.00 N ATOM 658 CA VAL A 39 -5.851 8.149 0.153 1.00 0.00 C ATOM 659 C VAL A 39 -6.068 7.935 1.649 1.00 0.00 C ATOM 660 O VAL A 39 -5.290 8.410 2.476 1.00 0.00 O ATOM 661 CB VAL A 39 -5.055 6.958 -0.412 1.00 0.00 C ATOM 662 CG1 VAL A 39 -5.830 5.657 -0.292 1.00 0.00 C ATOM 663 CG2 VAL A 39 -4.665 7.215 -1.859 1.00 0.00 C ATOM 0 H VAL A 39 -4.167 9.383 0.209 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.822 8.217 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.148 6.857 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.235 4.840 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.046 5.458 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.765 5.738 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.103 6.363 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.564 7.355 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.047 8.111 -1.916 1.00 0.00 H new ATOM 673 N ASP A 40 -7.136 7.230 1.977 1.00 0.00 N ATOM 674 CA ASP A 40 -7.405 6.821 3.347 1.00 0.00 C ATOM 675 C ASP A 40 -7.112 5.334 3.476 1.00 0.00 C ATOM 676 O ASP A 40 -7.896 4.494 3.029 1.00 0.00 O ATOM 677 CB ASP A 40 -8.864 7.106 3.727 1.00 0.00 C ATOM 678 CG ASP A 40 -9.134 6.915 5.210 1.00 0.00 C ATOM 679 OD1 ASP A 40 -9.235 5.759 5.664 1.00 0.00 O ATOM 680 OD2 ASP A 40 -9.261 7.932 5.930 1.00 0.00 O ATOM 0 H ASP A 40 -7.840 6.925 1.305 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.767 7.389 4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.115 8.129 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.519 6.448 3.155 1.00 0.00 H new ATOM 685 N THR A 41 -5.970 5.007 4.064 1.00 0.00 N ATOM 686 CA THR A 41 -5.517 3.625 4.128 1.00 0.00 C ATOM 687 C THR A 41 -6.265 2.842 5.195 1.00 0.00 C ATOM 688 O THR A 41 -6.230 1.613 5.228 1.00 0.00 O ATOM 689 CB THR A 41 -4.010 3.553 4.412 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.706 4.259 5.618 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.211 4.145 3.263 1.00 0.00 C ATOM 0 H THR A 41 -5.341 5.679 4.503 1.00 0.00 H new ATOM 0 HA THR A 41 -5.723 3.178 3.155 1.00 0.00 H new ATOM 0 HB THR A 41 -3.736 2.504 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.162 3.690 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.147 4.082 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.421 3.589 2.349 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.491 5.189 3.125 1.00 0.00 H new ATOM 699 N LYS A 42 -6.954 3.567 6.054 1.00 0.00 N ATOM 700 CA LYS A 42 -7.691 2.979 7.146 1.00 0.00 C ATOM 701 C LYS A 42 -9.069 2.521 6.665 1.00 0.00 C ATOM 702 O LYS A 42 -9.818 1.860 7.382 1.00 0.00 O ATOM 703 CB LYS A 42 -7.796 4.029 8.244 1.00 0.00 C ATOM 704 CG LYS A 42 -8.296 3.503 9.560 1.00 0.00 C ATOM 705 CD LYS A 42 -8.021 4.502 10.668 1.00 0.00 C ATOM 706 CE LYS A 42 -8.480 4.002 12.024 1.00 0.00 C ATOM 707 NZ LYS A 42 -8.039 4.916 13.109 1.00 0.00 N ATOM 0 H LYS A 42 -7.016 4.584 6.011 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.183 2.096 7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.814 4.478 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.462 4.824 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.366 3.306 9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.810 2.554 9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.953 4.715 10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.525 5.441 10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.567 3.917 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.081 3.003 12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.366 4.550 14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.001 4.977 13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.441 5.862 12.951 1.00 0.00 H new ATOM 721 N ASP A 43 -9.387 2.889 5.435 1.00 0.00 N ATOM 722 CA ASP A 43 -10.635 2.490 4.795 1.00 0.00 C ATOM 723 C ASP A 43 -10.387 1.300 3.877 1.00 0.00 C ATOM 724 O ASP A 43 -11.316 0.652 3.402 1.00 0.00 O ATOM 725 CB ASP A 43 -11.209 3.674 4.005 1.00 0.00 C ATOM 726 CG ASP A 43 -12.436 3.324 3.184 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.535 3.196 3.764 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.312 3.212 1.947 1.00 0.00 O ATOM 0 H ASP A 43 -8.789 3.473 4.850 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.358 2.194 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.464 4.473 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.438 4.064 3.341 1.00 0.00 H new ATOM 733 N LEU A 44 -9.116 1.000 3.664 1.00 0.00 N ATOM 734 CA LEU A 44 -8.722 -0.051 2.739 1.00 0.00 C ATOM 735 C LEU A 44 -8.795 -1.418 3.403 1.00 0.00 C ATOM 736 O LEU A 44 -8.261 -1.617 4.497 1.00 0.00 O ATOM 737 CB LEU A 44 -7.298 0.187 2.242 1.00 0.00 C ATOM 738 CG LEU A 44 -7.033 1.565 1.639 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.560 1.709 1.294 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.896 1.790 0.407 1.00 0.00 C ATOM 0 H LEU A 44 -8.336 1.472 4.121 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.414 -0.028 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.611 0.036 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.062 -0.569 1.493 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.295 2.323 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.382 2.695 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.962 1.593 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.279 0.943 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.691 2.778 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.668 1.030 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.948 1.724 0.683 1.00 0.00 H new ATOM 752 N LYS A 45 -9.457 -2.351 2.744 1.00 0.00 N ATOM 753 CA LYS A 45 -9.482 -3.729 3.197 1.00 0.00 C ATOM 754 C LYS A 45 -8.428 -4.520 2.442 1.00 0.00 C ATOM 755 O LYS A 45 -8.483 -4.623 1.216 1.00 0.00 O ATOM 756 CB LYS A 45 -10.864 -4.340 2.976 1.00 0.00 C ATOM 757 CG LYS A 45 -10.945 -5.807 3.350 1.00 0.00 C ATOM 758 CD LYS A 45 -11.157 -6.672 2.127 1.00 0.00 C ATOM 759 CE LYS A 45 -11.437 -8.119 2.506 1.00 0.00 C ATOM 760 NZ LYS A 45 -11.774 -8.947 1.319 1.00 0.00 N ATOM 0 H LYS A 45 -9.987 -2.178 1.890 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.265 -3.761 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.596 -3.783 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.140 -4.225 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.028 -6.107 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.763 -5.961 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.990 -6.280 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.273 -6.626 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.564 -8.539 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.260 -8.155 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.121 -9.876 1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.512 -8.471 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.925 -9.074 0.732 1.00 0.00 H new ATOM 774 N ILE A 46 -7.471 -5.079 3.160 1.00 0.00 N ATOM 775 CA ILE A 46 -6.345 -5.730 2.519 1.00 0.00 C ATOM 776 C ILE A 46 -6.673 -7.165 2.147 1.00 0.00 C ATOM 777 O ILE A 46 -7.162 -7.950 2.960 1.00 0.00 O ATOM 778 CB ILE A 46 -5.074 -5.674 3.392 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.777 -4.221 3.784 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.891 -6.287 2.649 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.523 -4.046 4.607 1.00 0.00 C ATOM 0 H ILE A 46 -7.451 -5.095 4.180 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.142 -5.177 1.602 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.240 -6.254 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.690 -3.622 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.624 -3.827 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.002 -6.240 3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.111 -7.327 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.713 -5.732 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.386 -2.990 4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.613 -4.615 5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.664 -4.406 4.042 1.00 0.00 H new ATOM 793 N LEU A 47 -6.407 -7.479 0.896 1.00 0.00 N ATOM 794 CA LEU A 47 -6.709 -8.777 0.332 1.00 0.00 C ATOM 795 C LEU A 47 -5.466 -9.647 0.359 1.00 0.00 C ATOM 796 O LEU A 47 -5.454 -10.735 0.934 1.00 0.00 O ATOM 797 CB LEU A 47 -7.156 -8.604 -1.119 1.00 0.00 C ATOM 798 CG LEU A 47 -7.968 -7.342 -1.410 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.222 -7.215 -2.902 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.281 -7.357 -0.647 1.00 0.00 C ATOM 0 H LEU A 47 -5.971 -6.834 0.237 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.501 -9.247 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.271 -8.601 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.751 -9.472 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.393 -6.478 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.801 -6.312 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.270 -7.156 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.777 -8.085 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.842 -6.449 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.866 -8.227 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.079 -7.406 0.423 1.00 0.00 H new ATOM 812 N LYS A 48 -4.413 -9.131 -0.253 1.00 0.00 N ATOM 813 CA LYS A 48 -3.178 -9.867 -0.415 1.00 0.00 C ATOM 814 C LYS A 48 -1.992 -8.934 -0.272 1.00 0.00 C ATOM 815 O LYS A 48 -1.777 -8.064 -1.114 1.00 0.00 O ATOM 816 CB LYS A 48 -3.118 -10.519 -1.796 1.00 0.00 C ATOM 817 CG LYS A 48 -1.959 -11.493 -1.945 1.00 0.00 C ATOM 818 CD LYS A 48 -1.698 -11.840 -3.400 1.00 0.00 C ATOM 819 CE LYS A 48 -0.499 -12.764 -3.544 1.00 0.00 C ATOM 820 NZ LYS A 48 -0.192 -13.062 -4.968 1.00 0.00 N ATOM 0 H LYS A 48 -4.394 -8.191 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.143 -10.638 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.054 -11.045 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.032 -9.742 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.060 -11.058 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.176 -12.404 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.580 -12.318 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.525 -10.926 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.371 -12.305 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.694 -13.696 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.632 -13.695 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.012 -13.524 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.019 -12.176 -5.470 1.00 0.00 H new ATOM 834 N THR A 49 -1.238 -9.101 0.788 1.00 0.00 N ATOM 835 CA THR A 49 0.003 -8.375 0.935 1.00 0.00 C ATOM 836 C THR A 49 1.147 -9.307 0.576 1.00 0.00 C ATOM 837 O THR A 49 1.094 -10.489 0.891 1.00 0.00 O ATOM 838 CB THR A 49 0.195 -7.868 2.375 1.00 0.00 C ATOM 839 OG1 THR A 49 -1.062 -7.461 2.925 1.00 0.00 O ATOM 840 CG2 THR A 49 1.162 -6.697 2.407 1.00 0.00 C ATOM 0 H THR A 49 -1.460 -9.730 1.559 1.00 0.00 H new ATOM 0 HA THR A 49 -0.018 -7.507 0.276 1.00 0.00 H new ATOM 0 HB THR A 49 0.606 -8.683 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.508 -8.234 3.330 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.284 -6.354 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.128 -7.012 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.769 -5.884 1.797 1.00 0.00 H new ATOM 848 N SER A 50 2.148 -8.809 -0.113 1.00 0.00 N ATOM 849 CA SER A 50 3.317 -9.613 -0.427 1.00 0.00 C ATOM 850 C SER A 50 4.507 -8.707 -0.686 1.00 0.00 C ATOM 851 O SER A 50 4.367 -7.482 -0.730 1.00 0.00 O ATOM 852 CB SER A 50 3.062 -10.494 -1.662 1.00 0.00 C ATOM 853 OG SER A 50 1.904 -11.299 -1.502 1.00 0.00 O ATOM 0 H SER A 50 2.181 -7.853 -0.468 1.00 0.00 H new ATOM 0 HA SER A 50 3.526 -10.262 0.424 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.947 -9.862 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.928 -11.132 -1.839 1.00 0.00 H new ATOM 0 HG SER A 50 1.681 -11.366 -0.550 1.00 0.00 H new ATOM 859 N GLU A 51 5.671 -9.304 -0.857 1.00 0.00 N ATOM 860 CA GLU A 51 6.857 -8.556 -1.214 1.00 0.00 C ATOM 861 C GLU A 51 7.695 -9.338 -2.207 1.00 0.00 C ATOM 862 O GLU A 51 7.771 -10.565 -2.148 1.00 0.00 O ATOM 863 CB GLU A 51 7.686 -8.185 0.020 1.00 0.00 C ATOM 864 CG GLU A 51 8.016 -9.337 0.948 1.00 0.00 C ATOM 865 CD GLU A 51 9.022 -8.940 2.014 1.00 0.00 C ATOM 866 OE1 GLU A 51 8.615 -8.690 3.168 1.00 0.00 O ATOM 867 OE2 GLU A 51 10.224 -8.850 1.689 1.00 0.00 O ATOM 0 H GLU A 51 5.819 -10.308 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 51 6.535 -7.626 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.619 -7.729 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.145 -7.427 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.102 -9.691 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.414 -10.168 0.366 1.00 0.00 H new ATOM 874 N ASP A 52 8.300 -8.616 -3.131 1.00 0.00 N ATOM 875 CA ASP A 52 9.129 -9.220 -4.160 1.00 0.00 C ATOM 876 C ASP A 52 10.461 -8.471 -4.229 1.00 0.00 C ATOM 877 O ASP A 52 10.949 -7.992 -3.204 1.00 0.00 O ATOM 878 CB ASP A 52 8.390 -9.177 -5.504 1.00 0.00 C ATOM 879 CG ASP A 52 8.985 -10.115 -6.535 1.00 0.00 C ATOM 880 OD1 ASP A 52 9.745 -9.639 -7.402 1.00 0.00 O ATOM 881 OD2 ASP A 52 8.704 -11.327 -6.476 1.00 0.00 O ATOM 0 H ASP A 52 8.232 -7.600 -3.191 1.00 0.00 H new ATOM 0 HA ASP A 52 9.332 -10.264 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.343 -9.436 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.411 -8.159 -5.892 1.00 0.00 H new ATOM 886 N LYS A 53 11.044 -8.367 -5.414 1.00 0.00 N ATOM 887 CA LYS A 53 12.320 -7.683 -5.588 1.00 0.00 C ATOM 888 C LYS A 53 12.183 -6.192 -5.291 1.00 0.00 C ATOM 889 O LYS A 53 11.751 -5.422 -6.142 1.00 0.00 O ATOM 890 CB LYS A 53 12.846 -7.884 -7.015 1.00 0.00 C ATOM 891 CG LYS A 53 13.082 -9.341 -7.393 1.00 0.00 C ATOM 892 CD LYS A 53 14.103 -9.996 -6.478 1.00 0.00 C ATOM 893 CE LYS A 53 14.389 -11.436 -6.881 1.00 0.00 C ATOM 894 NZ LYS A 53 15.056 -11.530 -8.208 1.00 0.00 N ATOM 0 H LYS A 53 10.652 -8.749 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 53 13.031 -8.114 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.135 -7.449 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.781 -7.335 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.141 -9.888 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.427 -9.399 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.030 -9.423 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.738 -9.973 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.021 -11.904 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.454 -11.996 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.397 -12.501 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.377 -11.283 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.861 -10.872 -8.239 1.00 0.00 H new ATOM 908 N ARG A 54 12.507 -5.809 -4.054 1.00 0.00 N ATOM 909 CA ARG A 54 12.511 -4.405 -3.620 1.00 0.00 C ATOM 910 C ARG A 54 11.118 -3.775 -3.577 1.00 0.00 C ATOM 911 O ARG A 54 10.966 -2.645 -3.116 1.00 0.00 O ATOM 912 CB ARG A 54 13.423 -3.559 -4.509 1.00 0.00 C ATOM 913 CG ARG A 54 14.885 -3.649 -4.133 1.00 0.00 C ATOM 914 CD ARG A 54 15.739 -2.766 -5.019 1.00 0.00 C ATOM 915 NE ARG A 54 17.060 -2.544 -4.440 1.00 0.00 N ATOM 916 CZ ARG A 54 18.062 -1.931 -5.068 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.920 -1.537 -6.329 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.209 -1.730 -4.435 1.00 0.00 N ATOM 0 H ARG A 54 12.775 -6.465 -3.320 1.00 0.00 H new ATOM 0 HA ARG A 54 12.892 -4.417 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.302 -3.876 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.106 -2.518 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.013 -3.354 -3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.220 -4.683 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.844 -3.227 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.241 -1.808 -5.168 1.00 0.00 H new ATOM 0 HE ARG A 54 17.227 -2.880 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.041 -1.704 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.690 -1.068 -6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.321 -2.044 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.979 -1.261 -4.912 1.00 0.00 H new ATOM 932 N PHE A 55 10.103 -4.481 -4.043 1.00 0.00 N ATOM 933 CA PHE A 55 8.765 -3.906 -4.089 1.00 0.00 C ATOM 934 C PHE A 55 7.795 -4.667 -3.193 1.00 0.00 C ATOM 935 O PHE A 55 7.790 -5.899 -3.171 1.00 0.00 O ATOM 936 CB PHE A 55 8.238 -3.887 -5.528 1.00 0.00 C ATOM 937 CG PHE A 55 9.228 -3.352 -6.529 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.486 -4.044 -7.701 1.00 0.00 C ATOM 939 CD2 PHE A 55 9.912 -2.169 -6.291 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.406 -3.568 -8.614 1.00 0.00 C ATOM 941 CE2 PHE A 55 10.832 -1.688 -7.202 1.00 0.00 C ATOM 942 CZ PHE A 55 11.080 -2.389 -8.365 1.00 0.00 C ATOM 0 H PHE A 55 10.174 -5.438 -4.390 1.00 0.00 H new ATOM 0 HA PHE A 55 8.837 -2.883 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.956 -4.900 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.333 -3.281 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.962 -4.966 -7.903 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.723 -1.617 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.598 -4.118 -9.523 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.357 -0.765 -7.005 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.800 -2.016 -9.079 1.00 0.00 H new ATOM 952 N TYR A 56 7.009 -3.924 -2.426 1.00 0.00 N ATOM 953 CA TYR A 56 5.890 -4.487 -1.686 1.00 0.00 C ATOM 954 C TYR A 56 4.631 -4.392 -2.519 1.00 0.00 C ATOM 955 O TYR A 56 4.470 -3.458 -3.303 1.00 0.00 O ATOM 956 CB TYR A 56 5.669 -3.765 -0.352 1.00 0.00 C ATOM 957 CG TYR A 56 6.436 -4.372 0.792 1.00 0.00 C ATOM 958 CD1 TYR A 56 5.985 -5.532 1.408 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.611 -3.801 1.248 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.693 -6.110 2.440 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.322 -4.369 2.286 1.00 0.00 C ATOM 962 CZ TYR A 56 7.861 -5.524 2.874 1.00 0.00 C ATOM 963 OH TYR A 56 8.580 -6.112 3.885 1.00 0.00 O ATOM 0 H TYR A 56 7.129 -2.919 -2.300 1.00 0.00 H new ATOM 0 HA TYR A 56 6.125 -5.530 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.960 -2.720 -0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.606 -3.777 -0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.065 -5.988 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.978 -2.897 0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.334 -7.016 2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.235 -3.909 2.634 1.00 0.00 H new ATOM 0 HH TYR A 56 8.845 -7.016 3.615 1.00 0.00 H new ATOM 973 N TYR A 57 3.751 -5.358 -2.352 1.00 0.00 N ATOM 974 CA TYR A 57 2.498 -5.375 -3.076 1.00 0.00 C ATOM 975 C TYR A 57 1.338 -5.604 -2.120 1.00 0.00 C ATOM 976 O TYR A 57 1.062 -6.735 -1.723 1.00 0.00 O ATOM 977 CB TYR A 57 2.517 -6.460 -4.153 1.00 0.00 C ATOM 978 CG TYR A 57 3.566 -6.241 -5.223 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.460 -5.184 -6.119 1.00 0.00 C ATOM 980 CD2 TYR A 57 4.655 -7.096 -5.342 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.407 -4.986 -7.103 1.00 0.00 C ATOM 982 CE2 TYR A 57 5.609 -6.902 -6.324 1.00 0.00 C ATOM 983 CZ TYR A 57 5.479 -5.846 -7.201 1.00 0.00 C ATOM 984 OH TYR A 57 6.421 -5.650 -8.186 1.00 0.00 O ATOM 0 H TYR A 57 3.882 -6.146 -1.717 1.00 0.00 H new ATOM 0 HA TYR A 57 2.366 -4.407 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.691 -7.426 -3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.535 -6.508 -4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.623 -4.506 -6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.758 -7.925 -4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.308 -4.161 -7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.451 -7.574 -6.404 1.00 0.00 H new ATOM 0 HH TYR A 57 7.113 -6.341 -8.119 1.00 0.00 H new ATOM 994 N VAL A 58 0.682 -4.523 -1.725 1.00 0.00 N ATOM 995 CA VAL A 58 -0.465 -4.614 -0.835 1.00 0.00 C ATOM 996 C VAL A 58 -1.757 -4.460 -1.627 1.00 0.00 C ATOM 997 O VAL A 58 -2.208 -3.344 -1.883 1.00 0.00 O ATOM 998 CB VAL A 58 -0.424 -3.539 0.274 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.435 -3.855 1.364 1.00 0.00 C ATOM 1000 CG2 VAL A 58 0.974 -3.404 0.855 1.00 0.00 C ATOM 0 H VAL A 58 0.924 -3.573 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.427 -5.595 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.692 -2.582 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.390 -3.086 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.437 -3.881 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.204 -4.825 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.973 -2.640 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.284 -4.357 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.670 -3.117 0.066 1.00 0.00 H new ATOM 1010 N SER A 59 -2.327 -5.577 -2.046 1.00 0.00 N ATOM 1011 CA SER A 59 -3.564 -5.562 -2.807 1.00 0.00 C ATOM 1012 C SER A 59 -4.739 -5.358 -1.857 1.00 0.00 C ATOM 1013 O SER A 59 -4.969 -6.174 -0.964 1.00 0.00 O ATOM 1014 CB SER A 59 -3.722 -6.871 -3.586 1.00 0.00 C ATOM 1015 OG SER A 59 -4.710 -6.755 -4.596 1.00 0.00 O ATOM 0 H SER A 59 -1.951 -6.509 -1.871 1.00 0.00 H new ATOM 0 HA SER A 59 -3.539 -4.741 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.768 -7.145 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.993 -7.674 -2.900 1.00 0.00 H new ATOM 0 HG SER A 59 -4.787 -7.605 -5.077 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.454 -4.258 -2.031 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.559 -3.910 -1.151 1.00 0.00 C ATOM 1023 C VAL A 60 -7.807 -3.568 -1.948 1.00 0.00 C ATOM 1024 O VAL A 60 -7.729 -3.204 -3.120 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.209 -2.700 -0.255 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.934 -2.965 0.520 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -6.086 -1.426 -1.084 1.00 0.00 C ATOM 0 H VAL A 60 -5.287 -3.586 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.746 -4.783 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.020 -2.557 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.703 -2.103 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.067 -3.845 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.114 -3.138 -0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.839 -0.589 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.299 -1.550 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.032 -1.227 -1.587 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.954 -3.689 -1.306 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.198 -3.230 -1.896 1.00 0.00 C ATOM 1039 C ASP A 61 -10.355 -1.748 -1.592 1.00 0.00 C ATOM 1040 O ASP A 61 -10.268 -1.336 -0.434 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.388 -4.014 -1.344 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.674 -3.703 -2.085 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.244 -2.616 -1.861 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -13.121 -4.548 -2.886 1.00 0.00 O ATOM 0 H ASP A 61 -9.050 -4.100 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.170 -3.392 -2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.180 -5.082 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.515 -3.781 -0.287 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.561 -0.950 -2.625 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.586 0.498 -2.474 1.00 0.00 C ATOM 1051 C ALA A 62 -11.970 1.020 -2.088 1.00 0.00 C ATOM 1052 O ALA A 62 -12.199 2.230 -2.065 1.00 0.00 O ATOM 1053 CB ALA A 62 -10.095 1.157 -3.749 1.00 0.00 C ATOM 0 H ALA A 62 -10.714 -1.278 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.917 0.757 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.116 2.240 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.075 0.834 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.741 0.871 -4.579 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.896 0.116 -1.805 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.181 0.522 -1.266 1.00 0.00 C ATOM 1061 C GLY A 63 -15.316 0.347 -2.246 1.00 0.00 C ATOM 1062 O GLY A 63 -16.429 -0.002 -1.863 1.00 0.00 O ATOM 0 H GLY A 63 -12.783 -0.889 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.391 -0.059 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.128 1.568 -0.964 1.00 0.00 H new ATOM 1066 N ASP A 64 -15.042 0.597 -3.512 1.00 0.00 N ATOM 1067 CA ASP A 64 -16.056 0.462 -4.550 1.00 0.00 C ATOM 1068 C ASP A 64 -16.008 -0.921 -5.188 1.00 0.00 C ATOM 1069 O ASP A 64 -17.025 -1.459 -5.621 1.00 0.00 O ATOM 1070 CB ASP A 64 -15.873 1.538 -5.620 1.00 0.00 C ATOM 1071 CG ASP A 64 -16.767 1.317 -6.822 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -16.236 0.999 -7.905 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -18.002 1.452 -6.691 1.00 0.00 O ATOM 0 H ASP A 64 -14.127 0.895 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 64 -17.032 0.590 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -16.086 2.516 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.832 1.552 -5.943 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.826 -1.506 -5.216 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.653 -2.781 -5.875 1.00 0.00 C ATOM 1080 C GLY A 65 -13.344 -2.843 -6.619 1.00 0.00 C ATOM 1081 O GLY A 65 -12.869 -3.924 -6.976 1.00 0.00 O ATOM 0 H GLY A 65 -13.981 -1.122 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.692 -3.582 -5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.476 -2.948 -6.570 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.769 -1.674 -6.879 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.450 -1.604 -7.471 1.00 0.00 C ATOM 1087 C GLU A 66 -10.440 -2.128 -6.477 1.00 0.00 C ATOM 1088 O GLU A 66 -10.491 -1.787 -5.295 1.00 0.00 O ATOM 1089 CB GLU A 66 -11.086 -0.176 -7.878 1.00 0.00 C ATOM 1090 CG GLU A 66 -10.659 -0.076 -9.331 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.975 1.230 -9.670 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -8.761 1.209 -9.952 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -10.647 2.281 -9.658 1.00 0.00 O ATOM 0 H GLU A 66 -13.198 -0.769 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.445 -2.213 -8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.943 0.476 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.280 0.186 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.984 -0.901 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.536 -0.194 -9.968 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.536 -2.962 -6.944 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.605 -3.604 -6.057 1.00 0.00 C ATOM 1102 C LYS A 67 -7.198 -3.128 -6.348 1.00 0.00 C ATOM 1103 O LYS A 67 -6.542 -3.574 -7.290 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.758 -5.121 -6.139 1.00 0.00 C ATOM 1105 CG LYS A 67 -10.108 -5.564 -5.591 1.00 0.00 C ATOM 1106 CD LYS A 67 -10.347 -7.057 -5.711 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.697 -7.418 -5.108 1.00 0.00 C ATOM 1108 NZ LYS A 67 -11.975 -8.874 -5.163 1.00 0.00 N ATOM 0 H LYS A 67 -9.430 -3.207 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.822 -3.326 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.658 -5.445 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.958 -5.602 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.178 -5.276 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.899 -5.033 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.316 -7.356 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.554 -7.603 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.728 -7.085 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.483 -6.881 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.905 -9.066 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.973 -9.191 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.242 -9.388 -4.634 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.763 -2.186 -5.538 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.516 -1.501 -5.762 1.00 0.00 C ATOM 1124 C CYS A 68 -4.410 -2.173 -5.005 1.00 0.00 C ATOM 1125 O CYS A 68 -4.541 -2.502 -3.833 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.628 -0.036 -5.349 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.301 1.037 -5.993 1.00 0.00 S ATOM 0 H CYS A 68 -7.267 -1.877 -4.707 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.286 -1.542 -6.827 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.588 0.352 -5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.628 0.022 -4.261 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.322 -2.365 -5.695 1.00 0.00 N ATOM 1133 CA LYS A 69 -2.186 -3.045 -5.131 1.00 0.00 C ATOM 1134 C LYS A 69 -1.093 -2.029 -4.863 1.00 0.00 C ATOM 1135 O LYS A 69 -0.447 -1.534 -5.790 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.713 -4.156 -6.070 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.472 -4.879 -5.591 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.137 -6.069 -6.480 1.00 0.00 C ATOM 1139 CE LYS A 69 -1.089 -7.229 -6.242 1.00 0.00 C ATOM 1140 NZ LYS A 69 -0.751 -8.416 -7.072 1.00 0.00 N ATOM 0 H LYS A 69 -3.195 -2.057 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.460 -3.518 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.518 -4.880 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.515 -3.728 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.370 -4.187 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.622 -5.220 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.184 -5.767 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.886 -6.392 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.064 -7.506 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.108 -6.911 -6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.427 -9.181 -6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.800 -8.161 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.211 -8.737 -6.843 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.941 -1.683 -3.598 1.00 0.00 N ATOM 1155 CA PHE A 70 0.021 -0.683 -3.185 1.00 0.00 C ATOM 1156 C PHE A 70 1.432 -1.184 -3.364 1.00 0.00 C ATOM 1157 O PHE A 70 1.853 -2.147 -2.722 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.213 -0.272 -1.734 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.335 0.703 -1.583 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -1.075 2.059 -1.508 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.645 0.268 -1.526 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -2.103 2.967 -1.380 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.678 1.172 -1.396 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.408 2.525 -1.322 1.00 0.00 C ATOM 0 H PHE A 70 -1.480 -2.087 -2.832 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.116 0.192 -3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.427 -1.160 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.701 0.167 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.055 2.410 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.862 -0.788 -1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.887 4.024 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.699 0.822 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.216 3.234 -1.219 1.00 0.00 H new ATOM 1174 N LYS A 71 2.147 -0.525 -4.248 1.00 0.00 N ATOM 1175 CA LYS A 71 3.518 -0.863 -4.519 1.00 0.00 C ATOM 1176 C LYS A 71 4.421 0.003 -3.664 1.00 0.00 C ATOM 1177 O LYS A 71 4.672 1.167 -3.975 1.00 0.00 O ATOM 1178 CB LYS A 71 3.823 -0.667 -6.001 1.00 0.00 C ATOM 1179 CG LYS A 71 5.248 -1.001 -6.387 1.00 0.00 C ATOM 1180 CD LYS A 71 5.500 -0.695 -7.852 1.00 0.00 C ATOM 1181 CE LYS A 71 6.968 -0.897 -8.202 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.268 -0.575 -9.617 1.00 0.00 N ATOM 0 H LYS A 71 1.791 0.258 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 71 3.695 -1.910 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.144 -1.288 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.618 0.369 -6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.940 -0.430 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.444 -2.056 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.881 -1.341 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.208 0.332 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.581 -0.271 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.246 -1.932 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.260 -0.810 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.644 -1.128 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.111 0.440 -9.783 1.00 0.00 H new ATOM 1196 N ILE A 72 4.870 -0.551 -2.562 1.00 0.00 N ATOM 1197 CA ILE A 72 5.748 0.169 -1.668 1.00 0.00 C ATOM 1198 C ILE A 72 7.181 -0.268 -1.892 1.00 0.00 C ATOM 1199 O ILE A 72 7.547 -1.409 -1.624 1.00 0.00 O ATOM 1200 CB ILE A 72 5.345 -0.031 -0.194 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.943 0.538 0.033 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.352 0.640 0.731 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.335 0.162 1.364 1.00 0.00 C ATOM 0 H ILE A 72 4.642 -1.499 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 72 5.659 1.233 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 72 5.338 -1.097 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.987 1.625 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.287 0.190 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.051 0.488 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.339 0.205 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.388 1.708 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.342 0.604 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.257 -0.923 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.967 0.534 2.171 1.00 0.00 H new ATOM 1215 N ARG A 73 7.972 0.641 -2.424 1.00 0.00 N ATOM 1216 CA ARG A 73 9.370 0.376 -2.693 1.00 0.00 C ATOM 1217 C ARG A 73 10.100 0.273 -1.364 1.00 0.00 C ATOM 1218 O ARG A 73 10.309 1.283 -0.700 1.00 0.00 O ATOM 1219 CB ARG A 73 9.934 1.505 -3.560 1.00 0.00 C ATOM 1220 CG ARG A 73 10.929 1.057 -4.615 1.00 0.00 C ATOM 1221 CD ARG A 73 10.900 2.005 -5.805 1.00 0.00 C ATOM 1222 NE ARG A 73 11.879 1.659 -6.833 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.047 2.360 -7.954 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.370 3.489 -8.141 1.00 0.00 N ATOM 1225 NH2 ARG A 73 12.911 1.954 -8.875 1.00 0.00 N ATOM 0 H ARG A 73 7.666 1.579 -2.681 1.00 0.00 H new ATOM 0 HA ARG A 73 9.498 -0.561 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.106 2.014 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.417 2.236 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.932 1.027 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.692 0.045 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.902 1.998 -6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.089 3.021 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 73 12.465 0.837 -6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.722 3.819 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.499 4.025 -8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.451 1.101 -8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.035 2.494 -9.731 1.00 0.00 H new ATOM 1239 N LYS A 74 10.418 -0.965 -0.971 1.00 0.00 N ATOM 1240 CA LYS A 74 10.993 -1.262 0.352 1.00 0.00 C ATOM 1241 C LYS A 74 12.144 -0.325 0.681 1.00 0.00 C ATOM 1242 O LYS A 74 13.270 -0.615 0.286 1.00 0.00 O ATOM 1243 CB LYS A 74 11.540 -2.691 0.414 1.00 0.00 C ATOM 1244 CG LYS A 74 10.630 -3.771 -0.128 1.00 0.00 C ATOM 1245 CD LYS A 74 11.243 -5.146 0.097 1.00 0.00 C ATOM 1246 CE LYS A 74 10.480 -6.230 -0.638 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.074 -7.578 -0.418 1.00 0.00 N ATOM 0 H LYS A 74 10.286 -1.790 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 74 10.183 -1.133 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.480 -2.724 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.772 -2.926 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.658 -3.715 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.460 -3.612 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.280 -5.141 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.254 -5.369 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.442 -6.232 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.472 -6.007 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.903 -8.173 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.098 -7.485 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.637 -8.018 0.417 1.00 0.00 H new ATOM 1261 N ASP A 75 11.835 0.760 1.424 1.00 0.00 N ATOM 1262 CA ASP A 75 12.776 1.863 1.741 1.00 0.00 C ATOM 1263 C ASP A 75 14.140 1.670 1.097 1.00 0.00 C ATOM 1264 O ASP A 75 15.090 1.234 1.746 1.00 0.00 O ATOM 1265 CB ASP A 75 12.946 2.008 3.250 1.00 0.00 C ATOM 1266 CG ASP A 75 13.610 3.314 3.635 1.00 0.00 C ATOM 1267 OD1 ASP A 75 12.899 4.339 3.709 1.00 0.00 O ATOM 1268 OD2 ASP A 75 14.833 3.314 3.881 1.00 0.00 O ATOM 0 H ASP A 75 10.909 0.899 1.829 1.00 0.00 H new ATOM 0 HA ASP A 75 12.337 2.771 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.970 1.945 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.541 1.176 3.627 1.00 0.00 H new ATOM 1273 N VAL A 76 14.220 1.962 -0.190 1.00 0.00 N ATOM 1274 CA VAL A 76 15.402 1.625 -0.967 1.00 0.00 C ATOM 1275 C VAL A 76 16.486 2.683 -0.830 1.00 0.00 C ATOM 1276 O VAL A 76 17.633 2.456 -1.213 1.00 0.00 O ATOM 1277 CB VAL A 76 15.067 1.432 -2.461 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.257 0.162 -2.670 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.330 2.644 -3.014 1.00 0.00 C ATOM 0 H VAL A 76 13.484 2.430 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 76 15.774 0.683 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 76 16.004 1.331 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.031 0.045 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.832 -0.697 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.327 0.227 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.105 2.483 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.401 2.788 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.956 3.530 -2.907 1.00 0.00 H new ATOM 1289 N ASP A 77 16.110 3.820 -0.257 1.00 0.00 N ATOM 1290 CA ASP A 77 17.000 4.976 -0.123 1.00 0.00 C ATOM 1291 C ASP A 77 16.208 6.181 0.360 1.00 0.00 C ATOM 1292 O ASP A 77 16.393 6.656 1.481 1.00 0.00 O ATOM 1293 CB ASP A 77 17.675 5.323 -1.456 1.00 0.00 C ATOM 1294 CG ASP A 77 18.667 6.462 -1.323 1.00 0.00 C ATOM 1295 OD1 ASP A 77 19.814 6.214 -0.895 1.00 0.00 O ATOM 1296 OD2 ASP A 77 18.310 7.609 -1.649 1.00 0.00 O ATOM 0 H ASP A 77 15.178 3.971 0.130 1.00 0.00 H new ATOM 0 HA ASP A 77 17.774 4.718 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.188 4.441 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.913 5.592 -2.187 1.00 0.00 H new ATOM 1301 N VAL A 78 15.319 6.659 -0.496 1.00 0.00 N ATOM 1302 CA VAL A 78 14.466 7.788 -0.169 1.00 0.00 C ATOM 1303 C VAL A 78 13.182 7.303 0.488 1.00 0.00 C ATOM 1304 O VAL A 78 12.708 6.203 0.203 1.00 0.00 O ATOM 1305 CB VAL A 78 14.114 8.623 -1.421 1.00 0.00 C ATOM 1306 CG1 VAL A 78 15.377 9.113 -2.111 1.00 0.00 C ATOM 1307 CG2 VAL A 78 13.246 7.821 -2.382 1.00 0.00 C ATOM 0 H VAL A 78 15.170 6.278 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 78 15.020 8.424 0.521 1.00 0.00 H new ATOM 0 HB VAL A 78 13.542 9.494 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 78 15.108 9.699 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.950 9.734 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 78 15.980 8.258 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.012 8.430 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.783 6.926 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.321 7.532 -1.882 1.00 0.00 H new ATOM 1317 N PRO A 79 12.614 8.112 1.385 1.00 0.00 N ATOM 1318 CA PRO A 79 11.373 7.781 2.063 1.00 0.00 C ATOM 1319 C PRO A 79 10.144 8.127 1.228 1.00 0.00 C ATOM 1320 O PRO A 79 9.806 9.305 1.075 1.00 0.00 O ATOM 1321 CB PRO A 79 11.432 8.665 3.300 1.00 0.00 C ATOM 1322 CG PRO A 79 12.140 9.885 2.835 1.00 0.00 C ATOM 1323 CD PRO A 79 13.147 9.413 1.826 1.00 0.00 C ATOM 0 HA PRO A 79 11.283 6.715 2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.434 8.899 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.969 8.178 4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.444 10.596 2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.628 10.395 3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.238 10.111 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.139 9.311 2.267 1.00 0.00 H new ATOM 1331 N LYS A 80 9.503 7.104 0.675 1.00 0.00 N ATOM 1332 CA LYS A 80 8.260 7.266 -0.079 1.00 0.00 C ATOM 1333 C LYS A 80 7.772 5.941 -0.627 1.00 0.00 C ATOM 1334 O LYS A 80 8.542 4.996 -0.793 1.00 0.00 O ATOM 1335 CB LYS A 80 8.423 8.247 -1.241 1.00 0.00 C ATOM 1336 CG LYS A 80 7.764 9.590 -0.983 1.00 0.00 C ATOM 1337 CD LYS A 80 8.004 10.566 -2.122 1.00 0.00 C ATOM 1338 CE LYS A 80 9.486 10.736 -2.411 1.00 0.00 C ATOM 1339 NZ LYS A 80 10.256 11.095 -1.191 1.00 0.00 N ATOM 0 H LYS A 80 9.828 6.139 0.735 1.00 0.00 H new ATOM 0 HA LYS A 80 7.526 7.664 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.485 8.401 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.997 7.807 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.692 9.448 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.151 10.012 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.496 10.211 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.569 11.533 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.882 9.811 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.621 11.511 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.249 11.268 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.853 11.955 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.205 10.314 -0.506 1.00 0.00 H new ATOM 1353 N MET A 81 6.486 5.885 -0.910 1.00 0.00 N ATOM 1354 CA MET A 81 5.903 4.746 -1.588 1.00 0.00 C ATOM 1355 C MET A 81 5.977 4.988 -3.092 1.00 0.00 C ATOM 1356 O MET A 81 5.588 6.051 -3.576 1.00 0.00 O ATOM 1357 CB MET A 81 4.465 4.534 -1.089 1.00 0.00 C ATOM 1358 CG MET A 81 3.547 3.783 -2.041 1.00 0.00 C ATOM 1359 SD MET A 81 2.752 4.884 -3.222 1.00 0.00 S ATOM 1360 CE MET A 81 2.128 6.135 -2.106 1.00 0.00 C ATOM 0 H MET A 81 5.820 6.622 -0.678 1.00 0.00 H new ATOM 0 HA MET A 81 6.453 3.831 -1.369 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.503 3.991 -0.144 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.024 5.509 -0.879 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.121 3.029 -2.579 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.785 3.255 -1.468 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.044 6.202 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.384 5.868 -1.081 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.575 7.098 -2.353 1.00 0.00 H new ATOM 1370 N VAL A 82 6.522 4.023 -3.826 1.00 0.00 N ATOM 1371 CA VAL A 82 6.782 4.218 -5.249 1.00 0.00 C ATOM 1372 C VAL A 82 5.492 4.369 -6.047 1.00 0.00 C ATOM 1373 O VAL A 82 5.422 5.195 -6.960 1.00 0.00 O ATOM 1374 CB VAL A 82 7.656 3.090 -5.855 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.061 1.721 -5.599 1.00 0.00 C ATOM 1376 CG2 VAL A 82 7.864 3.305 -7.350 1.00 0.00 C ATOM 0 H VAL A 82 6.790 3.108 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 82 7.345 5.149 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 82 8.625 3.132 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.702 0.957 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.982 1.554 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.070 1.665 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.480 2.500 -7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.898 3.308 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.363 4.260 -7.514 1.00 0.00 H new ATOM 1386 N GLY A 83 4.464 3.607 -5.707 1.00 0.00 N ATOM 1387 CA GLY A 83 3.237 3.715 -6.455 1.00 0.00 C ATOM 1388 C GLY A 83 2.113 2.834 -5.957 1.00 0.00 C ATOM 1389 O GLY A 83 2.155 2.289 -4.853 1.00 0.00 O ATOM 0 H GLY A 83 4.458 2.931 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.904 4.753 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.440 3.468 -7.497 1.00 0.00 H new ATOM 1393 N ARG A 84 1.125 2.683 -6.818 1.00 0.00 N ATOM 1394 CA ARG A 84 -0.095 1.945 -6.534 1.00 0.00 C ATOM 1395 C ARG A 84 -0.940 1.918 -7.813 1.00 0.00 C ATOM 1396 O ARG A 84 -1.768 2.787 -8.077 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.876 2.551 -5.343 1.00 0.00 C ATOM 1398 CG ARG A 84 -1.527 3.894 -5.626 1.00 0.00 C ATOM 1399 CD ARG A 84 -2.586 4.238 -4.592 1.00 0.00 C ATOM 1400 NE ARG A 84 -3.496 5.279 -5.072 1.00 0.00 N ATOM 1401 CZ ARG A 84 -4.802 5.326 -4.795 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -5.368 4.381 -4.052 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -5.543 6.318 -5.274 1.00 0.00 N ATOM 0 H ARG A 84 1.147 3.079 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 84 0.155 0.927 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.649 1.846 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.195 2.664 -4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.764 4.672 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.979 3.877 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.156 3.343 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.103 4.573 -3.674 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.107 6.018 -5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.805 3.612 -3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.366 4.424 -3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.115 7.041 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.540 6.357 -5.064 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.695 0.926 -8.634 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.276 0.901 -9.968 1.00 0.00 C ATOM 1419 C LYS A 85 -2.729 0.457 -9.919 1.00 0.00 C ATOM 1420 O LYS A 85 -3.497 0.728 -10.838 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.465 -0.015 -10.887 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.696 0.257 -12.365 1.00 0.00 C ATOM 1423 CD LYS A 85 0.326 -0.447 -13.232 1.00 0.00 C ATOM 1424 CE LYS A 85 0.109 -0.146 -14.705 1.00 0.00 C ATOM 1425 NZ LYS A 85 -1.073 -0.857 -15.260 1.00 0.00 N ATOM 0 H LYS A 85 -0.102 0.127 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.245 1.913 -10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.595 0.105 -10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.721 -1.052 -10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.697 -0.072 -12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.651 1.330 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.329 -0.135 -12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.266 -1.523 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.021 0.928 -14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.998 -0.432 -15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.333 -0.437 -16.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.842 -1.862 -15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.872 -0.770 -14.600 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.099 -0.177 -8.809 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.423 -0.770 -8.643 1.00 0.00 C ATOM 1441 C CYS A 86 -4.663 -1.800 -9.720 1.00 0.00 C ATOM 1442 O CYS A 86 -5.022 -1.486 -10.849 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.519 0.284 -8.664 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.092 1.782 -7.714 1.00 0.00 S ATOM 0 H CYS A 86 -2.489 -0.294 -8.000 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.454 -1.254 -7.667 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.726 0.563 -9.697 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.436 -0.146 -8.260 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.493 -3.035 -9.339 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.395 -4.112 -10.290 1.00 0.00 C ATOM 1451 C ARG A 87 -5.674 -4.914 -10.256 1.00 0.00 C ATOM 1452 O ARG A 87 -5.708 -6.056 -9.799 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.181 -4.970 -9.969 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.634 -5.704 -11.170 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.180 -6.061 -10.952 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.591 -6.717 -12.115 1.00 0.00 N ATOM 1457 CZ ARG A 87 0.457 -7.532 -12.056 1.00 0.00 C ATOM 1458 NH1 ARG A 87 1.089 -7.720 -10.907 1.00 0.00 N ATOM 1459 NH2 ARG A 87 0.889 -8.138 -13.153 1.00 0.00 N ATOM 0 H ARG A 87 -4.418 -3.325 -8.364 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.263 -3.720 -11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.398 -4.337 -9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.450 -5.695 -9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.215 -6.609 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.733 -5.083 -12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.616 -5.157 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.095 -6.717 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.009 -6.539 -13.028 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.771 -7.239 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.893 -8.346 -10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.417 -7.979 -14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.693 -8.763 -13.107 1.00 0.00 H new ATOM 1473 N LYS A 88 -6.735 -4.273 -10.704 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.058 -4.852 -10.655 1.00 0.00 C ATOM 1475 C LYS A 88 -8.243 -5.814 -11.821 1.00 0.00 C ATOM 1476 O LYS A 88 -8.833 -6.886 -11.675 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.104 -3.736 -10.710 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.456 -4.121 -10.144 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.536 -3.142 -10.583 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.909 -3.557 -10.087 1.00 0.00 C ATOM 1481 NZ LYS A 88 -13.963 -2.585 -10.477 1.00 0.00 N ATOM 0 H LYS A 88 -6.702 -3.338 -11.111 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.181 -5.407 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.726 -2.873 -10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.232 -3.425 -11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.718 -5.127 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.404 -4.145 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.299 -2.147 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.547 -3.077 -11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.157 -4.540 -10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.888 -3.652 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.884 -2.908 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.742 -1.652 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.002 -2.513 -11.514 1.00 0.00 H new ATOM 1495 N ASP A 89 -7.714 -5.429 -12.976 1.00 0.00 N ATOM 1496 CA ASP A 89 -7.841 -6.238 -14.183 1.00 0.00 C ATOM 1497 C ASP A 89 -6.596 -6.111 -15.058 1.00 0.00 C ATOM 1498 O ASP A 89 -6.575 -6.582 -16.193 1.00 0.00 O ATOM 1499 CB ASP A 89 -9.080 -5.813 -14.981 1.00 0.00 C ATOM 1500 CG ASP A 89 -8.937 -4.436 -15.602 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -9.131 -3.426 -14.888 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -8.635 -4.357 -16.811 1.00 0.00 O ATOM 0 H ASP A 89 -7.193 -4.561 -13.103 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.949 -7.280 -13.880 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -9.268 -6.543 -15.768 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -9.950 -5.822 -14.324 1.00 0.00 H new ATOM 1507 N ASP A 90 -5.559 -5.482 -14.516 1.00 0.00 N ATOM 1508 CA ASP A 90 -4.323 -5.240 -15.259 1.00 0.00 C ATOM 1509 C ASP A 90 -3.604 -6.555 -15.565 1.00 0.00 C ATOM 1510 O ASP A 90 -3.857 -7.576 -14.921 1.00 0.00 O ATOM 1511 CB ASP A 90 -3.405 -4.297 -14.474 1.00 0.00 C ATOM 1512 CG ASP A 90 -4.029 -2.932 -14.246 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -5.033 -2.855 -13.501 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -3.517 -1.932 -14.805 1.00 0.00 O ATOM 0 H ASP A 90 -5.548 -5.128 -13.560 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.582 -4.767 -16.206 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.164 -4.748 -13.511 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.466 -4.178 -15.014 1.00 0.00 H new ATOM 1519 N ASP A 91 -2.698 -6.524 -16.536 1.00 0.00 N ATOM 1520 CA ASP A 91 -2.077 -7.746 -17.042 1.00 0.00 C ATOM 1521 C ASP A 91 -0.732 -8.015 -16.365 1.00 0.00 C ATOM 1522 O ASP A 91 -0.671 -8.711 -15.352 1.00 0.00 O ATOM 1523 CB ASP A 91 -1.911 -7.655 -18.563 1.00 0.00 C ATOM 1524 CG ASP A 91 -1.324 -8.911 -19.176 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -2.062 -9.908 -19.320 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -0.132 -8.897 -19.537 1.00 0.00 O ATOM 0 H ASP A 91 -2.377 -5.668 -16.989 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.732 -8.584 -16.805 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.882 -7.457 -19.017 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.269 -6.807 -18.802 1.00 0.00 H new ATOM 1531 N ASP A 92 0.340 -7.455 -16.912 1.00 0.00 N ATOM 1532 CA ASP A 92 1.672 -7.622 -16.336 1.00 0.00 C ATOM 1533 C ASP A 92 2.283 -6.258 -16.071 1.00 0.00 C ATOM 1534 O ASP A 92 2.540 -5.493 -17.001 1.00 0.00 O ATOM 1535 CB ASP A 92 2.579 -8.434 -17.263 1.00 0.00 C ATOM 1536 CG ASP A 92 3.942 -8.689 -16.649 1.00 0.00 C ATOM 1537 OD1 ASP A 92 4.915 -8.001 -17.031 1.00 0.00 O ATOM 1538 OD2 ASP A 92 4.048 -9.570 -15.773 1.00 0.00 O ATOM 0 H ASP A 92 0.315 -6.880 -17.754 1.00 0.00 H new ATOM 0 HA ASP A 92 1.577 -8.170 -15.398 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.102 -9.387 -17.493 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.701 -7.902 -18.207 1.00 0.00 H new ATOM 1543 N ASP A 93 2.509 -5.951 -14.807 1.00 0.00 N ATOM 1544 CA ASP A 93 2.843 -4.594 -14.413 1.00 0.00 C ATOM 1545 C ASP A 93 4.100 -4.546 -13.559 1.00 0.00 C ATOM 1546 O ASP A 93 4.169 -5.162 -12.493 1.00 0.00 O ATOM 1547 CB ASP A 93 1.667 -3.979 -13.650 1.00 0.00 C ATOM 1548 CG ASP A 93 0.362 -4.090 -14.419 1.00 0.00 C ATOM 1549 OD1 ASP A 93 -0.353 -5.097 -14.244 1.00 0.00 O ATOM 1550 OD2 ASP A 93 0.053 -3.182 -15.212 1.00 0.00 O ATOM 0 H ASP A 93 2.468 -6.620 -14.038 1.00 0.00 H new ATOM 0 HA ASP A 93 3.040 -4.019 -15.318 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.562 -4.477 -12.686 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.878 -2.929 -13.446 1.00 0.00 H new ATOM 1555 N ASP A 94 5.092 -3.813 -14.041 1.00 0.00 N ATOM 1556 CA ASP A 94 6.317 -3.578 -13.289 1.00 0.00 C ATOM 1557 C ASP A 94 6.174 -2.316 -12.457 1.00 0.00 C ATOM 1558 O ASP A 94 6.209 -2.358 -11.228 1.00 0.00 O ATOM 1559 CB ASP A 94 7.518 -3.435 -14.233 1.00 0.00 C ATOM 1560 CG ASP A 94 8.796 -3.042 -13.507 1.00 0.00 C ATOM 1561 OD1 ASP A 94 9.085 -1.828 -13.404 1.00 0.00 O ATOM 1562 OD2 ASP A 94 9.525 -3.941 -13.040 1.00 0.00 O ATOM 0 H ASP A 94 5.072 -3.367 -14.958 1.00 0.00 H new ATOM 0 HA ASP A 94 6.488 -4.433 -12.635 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.678 -4.378 -14.755 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.291 -2.685 -14.991 1.00 0.00 H new ATOM 1567 N GLY A 95 5.991 -1.193 -13.136 1.00 0.00 N ATOM 1568 CA GLY A 95 5.869 0.075 -12.458 1.00 0.00 C ATOM 1569 C GLY A 95 4.439 0.386 -12.104 1.00 0.00 C ATOM 1570 O GLY A 95 3.555 0.318 -12.956 1.00 0.00 O ATOM 0 H GLY A 95 5.925 -1.141 -14.153 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.473 0.061 -11.551 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.266 0.866 -13.094 1.00 0.00 H new ATOM 1574 N TYR A 96 4.198 0.720 -10.849 1.00 0.00 N ATOM 1575 CA TYR A 96 2.849 1.026 -10.413 1.00 0.00 C ATOM 1576 C TYR A 96 2.668 2.532 -10.299 1.00 0.00 C ATOM 1577 O TYR A 96 2.693 3.206 -11.346 1.00 0.00 O ATOM 1578 CB TYR A 96 2.536 0.340 -9.077 1.00 0.00 C ATOM 1579 CG TYR A 96 2.259 -1.153 -9.177 1.00 0.00 C ATOM 1580 CD1 TYR A 96 1.091 -1.696 -8.653 1.00 0.00 C ATOM 1581 CD2 TYR A 96 3.158 -2.015 -9.789 1.00 0.00 C ATOM 1582 CE1 TYR A 96 0.829 -3.047 -8.733 1.00 0.00 C ATOM 1583 CE2 TYR A 96 2.904 -3.367 -9.875 1.00 0.00 C ATOM 1584 CZ TYR A 96 1.740 -3.880 -9.345 1.00 0.00 C ATOM 1585 OH TYR A 96 1.487 -5.231 -9.427 1.00 0.00 O ATOM 1586 OXT TYR A 96 2.506 3.031 -9.175 1.00 0.00 O ATOM 0 H TYR A 96 4.910 0.786 -10.122 1.00 0.00 H new ATOM 0 HA TYR A 96 2.150 0.644 -11.156 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.376 0.495 -8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.670 0.827 -8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.374 -1.046 -8.173 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.073 -1.620 -10.205 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.084 -3.450 -8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.615 -4.022 -10.356 1.00 0.00 H new ATOM 0 HH TYR A 96 2.228 -5.675 -9.889 1.00 0.00 H new TER 1596 TYR A 96