USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 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 87 ASN : amide:sc= -1.04! K(o=0.15!,f=-8.1) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 166:sc= 1.19 (180deg=-0.0598) USER MOD Set 2.1: A 61 TYR OH : rot 122:sc= 2.09 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -131:sc= 0.874! (180deg=-0.393) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.64 (180deg=1.63) USER MOD Single : A 6 LYS NZ :NH3+ -106:sc= -0.403! (180deg=-2.65!) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 0.0804! (180deg=-2.31!) USER MOD Single : A 15 MET CE :methyl -135:sc= -0.242 (180deg=-0.745) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0317) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -2.42! X(o=-2.4!,f=-2.9) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 138:sc= 0.19 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -0.0712 (180deg=-0.603) USER MOD Single : A 47 THR OG1 : rot 164:sc= 1.29 USER MOD Single : A 48 HIS : no HD1:sc= 0.101! C(o=0.1!,f=-7.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00532 USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= 0.833 (180deg=-0.663!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 64 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ -111:sc= 1.19 (180deg=-1.94!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 1.72 (180deg=1.58) USER MOD Single : A 72 ASN : amide:sc= -0.0542 K(o=-0.054,f=-6.3!) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc=-0.00478 (180deg=-0.159) USER MOD Single : A 75 LYS NZ :NH3+ 136:sc= 1.16 (180deg=0.82) USER MOD Single : A 78 ASN : amide:sc= -0.781 K(o=-0.78,f=-5.3!) USER MOD Single : A 86 ASN : amide:sc= 1.21 K(o=1.2,f=-0.06) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.0123 (180deg=-0.429) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.962 14.563 1.670 1.00 0.00 N ATOM 2 CA MET A 1 -0.375 15.039 2.022 1.00 0.00 C ATOM 3 C MET A 1 -0.204 16.255 2.936 1.00 0.00 C ATOM 4 O MET A 1 0.893 16.762 3.050 1.00 0.00 O ATOM 5 CB MET A 1 -1.141 13.879 2.722 1.00 0.00 C ATOM 6 CG MET A 1 -2.608 14.106 3.013 1.00 0.00 C ATOM 7 SD MET A 1 -3.518 14.694 1.581 1.00 0.00 S ATOM 8 CE MET A 1 -5.187 14.787 2.238 1.00 0.00 C ATOM 0 H1 MET A 1 0.883 13.695 1.103 1.00 0.00 H new ATOM 0 H2 MET A 1 1.456 15.293 1.118 1.00 0.00 H new ATOM 0 H3 MET A 1 1.499 14.362 2.538 1.00 0.00 H new ATOM 0 HA MET A 1 -0.954 15.339 1.148 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.052 12.989 2.099 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.638 13.660 3.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.053 13.174 3.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.706 14.830 3.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.865 15.138 1.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.501 13.799 2.574 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.209 15.480 3.079 1.00 0.00 H new ATOM 20 N ALA A 2 -1.293 16.743 3.540 1.00 0.00 N ATOM 21 CA ALA A 2 -1.237 17.839 4.543 1.00 0.00 C ATOM 22 C ALA A 2 -0.513 17.361 5.818 1.00 0.00 C ATOM 23 O ALA A 2 -0.169 18.133 6.690 1.00 0.00 O ATOM 24 CB ALA A 2 -2.644 18.320 4.874 1.00 0.00 C ATOM 0 H ALA A 2 -2.236 16.400 3.357 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.676 18.673 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.591 19.123 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.125 18.689 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.225 17.493 5.282 1.00 0.00 H new ATOM 30 N ARG A 3 -0.339 16.071 5.895 1.00 0.00 N ATOM 31 CA ARG A 3 0.420 15.401 6.899 1.00 0.00 C ATOM 32 C ARG A 3 1.198 14.420 6.077 1.00 0.00 C ATOM 33 O ARG A 3 0.748 14.127 4.963 1.00 0.00 O ATOM 34 CB ARG A 3 -0.511 14.637 7.851 1.00 0.00 C ATOM 35 CG ARG A 3 -1.091 13.353 7.259 1.00 0.00 C ATOM 36 CD ARG A 3 -1.885 12.576 8.272 1.00 0.00 C ATOM 37 NE ARG A 3 -3.212 13.150 8.535 1.00 0.00 N ATOM 38 CZ ARG A 3 -4.322 12.395 8.660 1.00 0.00 C ATOM 39 NH1 ARG A 3 -4.213 11.081 8.657 1.00 0.00 N ATOM 40 NH2 ARG A 3 -5.518 12.952 8.820 1.00 0.00 N ATOM 0 H ARG A 3 -0.749 15.428 5.217 1.00 0.00 H new ATOM 0 HA ARG A 3 1.024 16.067 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.039 14.390 8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.331 15.292 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.729 13.601 6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.281 12.731 6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.003 11.551 7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.325 12.531 9.206 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.297 14.162 8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.296 10.646 8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.046 10.500 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.608 13.968 8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.346 12.364 8.913 1.00 0.00 H new ATOM 54 N ASP A 4 2.291 13.900 6.512 1.00 0.00 N ATOM 55 CA ASP A 4 2.919 12.973 5.621 1.00 0.00 C ATOM 56 C ASP A 4 3.087 11.596 6.182 1.00 0.00 C ATOM 57 O ASP A 4 2.753 11.345 7.360 1.00 0.00 O ATOM 58 CB ASP A 4 4.133 13.515 4.907 1.00 0.00 C ATOM 59 CG ASP A 4 4.007 13.173 3.442 1.00 0.00 C ATOM 60 OD1 ASP A 4 3.295 13.925 2.700 1.00 0.00 O ATOM 61 OD2 ASP A 4 4.513 12.123 3.037 1.00 0.00 O ATOM 0 H ASP A 4 2.747 14.076 7.407 1.00 0.00 H new ATOM 0 HA ASP A 4 2.190 12.841 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.203 14.594 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.043 13.082 5.322 1.00 0.00 H new ATOM 66 N PHE A 5 3.578 10.714 5.360 1.00 0.00 N ATOM 67 CA PHE A 5 3.564 9.307 5.627 1.00 0.00 C ATOM 68 C PHE A 5 4.929 8.759 5.996 1.00 0.00 C ATOM 69 O PHE A 5 5.969 9.293 5.607 1.00 0.00 O ATOM 70 CB PHE A 5 3.006 8.588 4.400 1.00 0.00 C ATOM 71 CG PHE A 5 1.613 9.033 4.035 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.507 8.450 4.620 1.00 0.00 C ATOM 73 CD2 PHE A 5 1.418 10.034 3.097 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.770 8.856 4.276 1.00 0.00 C ATOM 75 CE2 PHE A 5 0.150 10.439 2.749 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.946 9.852 3.338 1.00 0.00 C ATOM 0 H PHE A 5 4.008 10.959 4.468 1.00 0.00 H new ATOM 0 HA PHE A 5 2.930 9.132 6.496 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.670 8.760 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.000 7.514 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.640 7.669 5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.273 10.503 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.628 8.394 4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.015 11.218 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.942 10.170 3.067 1.00 0.00 H new ATOM 86 N LYS A 6 4.908 7.702 6.761 1.00 0.00 N ATOM 87 CA LYS A 6 6.093 7.034 7.221 1.00 0.00 C ATOM 88 C LYS A 6 5.898 5.527 7.038 1.00 0.00 C ATOM 89 O LYS A 6 4.752 5.071 6.877 1.00 0.00 O ATOM 90 CB LYS A 6 6.295 7.378 8.700 1.00 0.00 C ATOM 91 CG LYS A 6 5.138 6.938 9.536 1.00 0.00 C ATOM 92 CD LYS A 6 5.074 7.643 10.843 1.00 0.00 C ATOM 93 CE LYS A 6 3.747 7.334 11.516 1.00 0.00 C ATOM 94 NZ LYS A 6 2.598 7.733 10.654 1.00 0.00 N ATOM 0 H LYS A 6 4.044 7.271 7.090 1.00 0.00 H new ATOM 0 HA LYS A 6 6.972 7.350 6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.207 6.903 9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.432 8.454 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.212 7.112 8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.208 5.864 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.900 7.327 11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.178 8.718 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.687 6.268 11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.689 7.859 12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.159 8.595 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.936 7.917 9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.896 6.966 10.635 1.00 0.00 H new ATOM 108 N PRO A 7 6.990 4.738 7.011 1.00 0.00 N ATOM 109 CA PRO A 7 6.904 3.277 6.941 1.00 0.00 C ATOM 110 C PRO A 7 5.972 2.708 8.015 1.00 0.00 C ATOM 111 O PRO A 7 6.167 2.941 9.211 1.00 0.00 O ATOM 112 CB PRO A 7 8.337 2.838 7.221 1.00 0.00 C ATOM 113 CG PRO A 7 9.168 3.948 6.701 1.00 0.00 C ATOM 114 CD PRO A 7 8.395 5.201 6.999 1.00 0.00 C ATOM 0 HA PRO A 7 6.505 2.932 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.504 2.682 8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.570 1.898 6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.145 3.966 7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.342 3.840 5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.684 5.634 7.957 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.560 5.966 6.240 1.00 0.00 H new ATOM 122 N GLY A 8 4.973 1.983 7.585 1.00 0.00 N ATOM 123 CA GLY A 8 4.039 1.399 8.496 1.00 0.00 C ATOM 124 C GLY A 8 2.631 1.931 8.336 1.00 0.00 C ATOM 125 O GLY A 8 1.681 1.246 8.713 1.00 0.00 O ATOM 0 H GLY A 8 4.789 1.785 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.030 0.319 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.375 1.582 9.517 1.00 0.00 H new ATOM 129 N ASP A 9 2.482 3.129 7.764 1.00 0.00 N ATOM 130 CA ASP A 9 1.141 3.718 7.585 1.00 0.00 C ATOM 131 C ASP A 9 0.297 2.926 6.611 1.00 0.00 C ATOM 132 O ASP A 9 0.738 2.593 5.493 1.00 0.00 O ATOM 133 CB ASP A 9 1.155 5.205 7.152 1.00 0.00 C ATOM 134 CG ASP A 9 1.539 6.174 8.253 1.00 0.00 C ATOM 135 OD1 ASP A 9 0.874 6.209 9.312 1.00 0.00 O ATOM 136 OD2 ASP A 9 2.521 6.930 8.095 1.00 0.00 O ATOM 0 H ASP A 9 3.252 3.704 7.422 1.00 0.00 H new ATOM 0 HA ASP A 9 0.695 3.672 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.852 5.323 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.166 5.471 6.779 1.00 0.00 H new ATOM 141 N LEU A 10 -0.899 2.596 7.042 1.00 0.00 N ATOM 142 CA LEU A 10 -1.859 1.915 6.211 1.00 0.00 C ATOM 143 C LEU A 10 -2.571 2.926 5.389 1.00 0.00 C ATOM 144 O LEU A 10 -3.164 3.882 5.919 1.00 0.00 O ATOM 145 CB LEU A 10 -2.851 1.115 7.044 1.00 0.00 C ATOM 146 CG LEU A 10 -2.249 0.005 7.893 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.343 -0.764 8.615 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.407 -0.919 7.022 1.00 0.00 C ATOM 0 H LEU A 10 -1.233 2.795 7.985 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.335 1.207 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.384 1.802 7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.590 0.676 6.374 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.599 0.447 8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.895 -1.554 9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.899 -0.085 9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.021 -1.205 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.980 -1.710 7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.034 -1.360 6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.604 -0.348 6.557 1.00 0.00 H new ATOM 160 N ILE A 11 -2.536 2.740 4.120 1.00 0.00 N ATOM 161 CA ILE A 11 -3.031 3.712 3.212 1.00 0.00 C ATOM 162 C ILE A 11 -3.775 3.087 2.053 1.00 0.00 C ATOM 163 O ILE A 11 -4.008 1.882 1.994 1.00 0.00 O ATOM 164 CB ILE A 11 -1.864 4.507 2.593 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.841 3.519 2.036 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.232 5.442 3.610 1.00 0.00 C ATOM 167 CD1 ILE A 11 0.042 4.077 0.987 1.00 0.00 C ATOM 0 H ILE A 11 -2.160 1.902 3.677 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.702 4.349 3.789 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.241 5.133 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.224 3.153 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.371 2.658 1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.413 5.988 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.980 6.148 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.849 4.861 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.736 3.308 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.562 4.416 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.603 4.919 1.393 1.00 0.00 H new ATOM 179 N PHE A 12 -4.131 3.943 1.158 1.00 0.00 N ATOM 180 CA PHE A 12 -4.663 3.625 -0.102 1.00 0.00 C ATOM 181 C PHE A 12 -3.740 4.190 -1.117 1.00 0.00 C ATOM 182 O PHE A 12 -3.390 5.373 -1.063 1.00 0.00 O ATOM 183 CB PHE A 12 -6.035 4.207 -0.303 1.00 0.00 C ATOM 184 CG PHE A 12 -7.126 3.448 0.361 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.653 2.321 -0.242 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.629 3.847 1.572 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.660 1.611 0.353 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.642 3.140 2.174 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.157 2.023 1.563 1.00 0.00 C ATOM 0 H PHE A 12 -4.048 4.949 1.307 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.759 2.543 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.041 5.231 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.242 4.257 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.264 1.997 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.226 4.724 2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.061 0.731 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.033 3.463 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.954 1.469 2.036 1.00 0.00 H new ATOM 199 N ALA A 13 -3.332 3.367 -1.994 1.00 0.00 N ATOM 200 CA ALA A 13 -2.425 3.724 -3.008 1.00 0.00 C ATOM 201 C ALA A 13 -3.139 3.760 -4.319 1.00 0.00 C ATOM 202 O ALA A 13 -3.750 2.780 -4.733 1.00 0.00 O ATOM 203 CB ALA A 13 -1.326 2.720 -3.042 1.00 0.00 C ATOM 0 H ALA A 13 -3.629 2.392 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.005 4.710 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.615 2.985 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.816 2.706 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.741 1.733 -3.248 1.00 0.00 H new ATOM 209 N LYS A 14 -3.103 4.883 -4.947 1.00 0.00 N ATOM 210 CA LYS A 14 -3.732 5.057 -6.187 1.00 0.00 C ATOM 211 C LYS A 14 -2.676 5.069 -7.293 1.00 0.00 C ATOM 212 O LYS A 14 -1.815 5.964 -7.334 1.00 0.00 O ATOM 213 CB LYS A 14 -4.531 6.367 -6.114 1.00 0.00 C ATOM 214 CG LYS A 14 -5.382 6.690 -7.318 1.00 0.00 C ATOM 215 CD LYS A 14 -4.564 7.077 -8.535 1.00 0.00 C ATOM 216 CE LYS A 14 -4.005 8.503 -8.494 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.956 8.672 -7.450 1.00 0.00 N ATOM 0 H LYS A 14 -2.625 5.714 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.418 4.242 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.177 6.327 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.831 7.188 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.000 5.826 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.060 7.506 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.735 6.377 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.185 6.968 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.587 8.755 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.818 9.204 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.233 9.338 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.389 9.044 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.513 7.752 -7.251 1.00 0.00 H new ATOM 231 N MET A 15 -2.788 4.131 -8.203 1.00 0.00 N ATOM 232 CA MET A 15 -1.876 4.003 -9.333 1.00 0.00 C ATOM 233 C MET A 15 -2.533 4.502 -10.590 1.00 0.00 C ATOM 234 O MET A 15 -3.747 4.609 -10.654 1.00 0.00 O ATOM 235 CB MET A 15 -1.410 2.567 -9.559 1.00 0.00 C ATOM 236 CG MET A 15 -0.554 2.001 -8.457 1.00 0.00 C ATOM 237 SD MET A 15 0.181 0.417 -8.905 1.00 0.00 S ATOM 238 CE MET A 15 -1.282 -0.587 -9.161 1.00 0.00 C ATOM 0 H MET A 15 -3.522 3.422 -8.186 1.00 0.00 H new ATOM 0 HA MET A 15 -1.000 4.605 -9.091 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.286 1.931 -9.683 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.850 2.524 -10.493 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.237 2.710 -8.214 1.00 0.00 H new ATOM 0 HG3 MET A 15 -1.158 1.877 -7.558 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.149 -1.554 -8.676 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.149 -0.083 -8.733 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.439 -0.735 -10.229 1.00 0.00 H new ATOM 248 N LYS A 16 -1.737 4.845 -11.569 1.00 0.00 N ATOM 249 CA LYS A 16 -2.262 5.309 -12.834 1.00 0.00 C ATOM 250 C LYS A 16 -3.022 4.165 -13.510 1.00 0.00 C ATOM 251 O LYS A 16 -2.436 3.146 -13.843 1.00 0.00 O ATOM 252 CB LYS A 16 -1.096 5.771 -13.728 1.00 0.00 C ATOM 253 CG LYS A 16 -1.493 6.262 -15.119 1.00 0.00 C ATOM 254 CD LYS A 16 -0.255 6.610 -15.939 1.00 0.00 C ATOM 255 CE LYS A 16 -0.604 7.055 -17.359 1.00 0.00 C ATOM 256 NZ LYS A 16 -1.407 8.310 -17.381 1.00 0.00 N ATOM 0 H LYS A 16 -0.719 4.813 -11.518 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.941 6.146 -12.674 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.563 6.573 -13.216 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.396 4.943 -13.839 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.070 5.492 -15.631 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.136 7.138 -15.032 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.298 7.404 -15.438 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.403 5.742 -15.984 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.315 7.205 -17.926 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.161 6.262 -17.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.546 8.616 -18.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.332 8.138 -16.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.904 9.053 -16.855 1.00 0.00 H new ATOM 270 N GLY A 17 -4.313 4.350 -13.687 1.00 0.00 N ATOM 271 CA GLY A 17 -5.126 3.346 -14.340 1.00 0.00 C ATOM 272 C GLY A 17 -5.849 2.446 -13.352 1.00 0.00 C ATOM 273 O GLY A 17 -6.701 1.653 -13.741 1.00 0.00 O ATOM 0 H GLY A 17 -4.821 5.183 -13.389 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.858 3.837 -14.981 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.494 2.736 -14.986 1.00 0.00 H new ATOM 277 N TYR A 18 -5.526 2.578 -12.079 1.00 0.00 N ATOM 278 CA TYR A 18 -6.134 1.750 -11.064 1.00 0.00 C ATOM 279 C TYR A 18 -6.699 2.574 -9.917 1.00 0.00 C ATOM 280 O TYR A 18 -6.178 3.644 -9.591 1.00 0.00 O ATOM 281 CB TYR A 18 -5.151 0.691 -10.536 1.00 0.00 C ATOM 282 CG TYR A 18 -4.815 -0.384 -11.543 1.00 0.00 C ATOM 283 CD1 TYR A 18 -5.777 -1.304 -11.933 1.00 0.00 C ATOM 284 CD2 TYR A 18 -3.547 -0.488 -12.093 1.00 0.00 C ATOM 285 CE1 TYR A 18 -5.491 -2.297 -12.839 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.251 -1.482 -13.007 1.00 0.00 C ATOM 287 CZ TYR A 18 -4.231 -2.384 -13.376 1.00 0.00 C ATOM 288 OH TYR A 18 -3.944 -3.385 -14.271 1.00 0.00 O ATOM 0 H TYR A 18 -4.846 3.252 -11.727 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.967 1.234 -11.541 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.231 1.186 -10.226 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.577 0.224 -9.648 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.771 -1.239 -11.516 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.781 0.216 -11.804 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.254 -3.005 -13.127 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.260 -1.553 -13.430 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.010 -3.308 -14.559 1.00 0.00 H new ATOM 298 N PRO A 19 -7.792 2.093 -9.302 1.00 0.00 N ATOM 299 CA PRO A 19 -8.410 2.752 -8.160 1.00 0.00 C ATOM 300 C PRO A 19 -7.525 2.682 -6.912 1.00 0.00 C ATOM 301 O PRO A 19 -6.491 2.003 -6.901 1.00 0.00 O ATOM 302 CB PRO A 19 -9.705 1.958 -7.937 1.00 0.00 C ATOM 303 CG PRO A 19 -9.433 0.619 -8.521 1.00 0.00 C ATOM 304 CD PRO A 19 -8.521 0.861 -9.684 1.00 0.00 C ATOM 0 HA PRO A 19 -8.576 3.813 -8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.947 1.886 -6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.553 2.438 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.967 -0.040 -7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.357 0.137 -8.842 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.840 0.024 -9.841 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.079 0.996 -10.610 1.00 0.00 H new ATOM 312 N HIS A 20 -7.924 3.411 -5.893 1.00 0.00 N ATOM 313 CA HIS A 20 -7.226 3.435 -4.618 1.00 0.00 C ATOM 314 C HIS A 20 -7.210 2.023 -3.995 1.00 0.00 C ATOM 315 O HIS A 20 -8.250 1.506 -3.605 1.00 0.00 O ATOM 316 CB HIS A 20 -7.921 4.426 -3.663 1.00 0.00 C ATOM 317 CG HIS A 20 -7.729 5.877 -4.007 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.526 6.589 -4.888 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.788 6.746 -3.581 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.037 7.834 -4.971 1.00 0.00 C ATOM 321 NE2 HIS A 20 -6.985 7.979 -4.200 1.00 0.00 N ATOM 0 H HIS A 20 -8.749 4.010 -5.922 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.198 3.757 -4.781 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.989 4.209 -3.652 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.550 4.255 -2.652 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -9.341 6.230 -5.385 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.005 6.521 -2.872 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.454 8.615 -5.590 1.00 0.00 H new ATOM 329 N TRP A 21 -6.043 1.425 -3.929 1.00 0.00 N ATOM 330 CA TRP A 21 -5.860 0.067 -3.433 1.00 0.00 C ATOM 331 C TRP A 21 -5.324 0.135 -2.009 1.00 0.00 C ATOM 332 O TRP A 21 -4.450 0.950 -1.733 1.00 0.00 O ATOM 333 CB TRP A 21 -4.816 -0.632 -4.324 1.00 0.00 C ATOM 334 CG TRP A 21 -4.709 -2.131 -4.172 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.323 -2.856 -3.073 1.00 0.00 C ATOM 336 CD2 TRP A 21 -4.936 -3.080 -5.198 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.358 -4.196 -3.363 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.718 -4.352 -4.653 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.320 -2.976 -6.526 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -4.870 -5.497 -5.382 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.467 -4.124 -7.252 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.242 -5.377 -6.675 1.00 0.00 C ATOM 0 H TRP A 21 -5.174 1.871 -4.222 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.804 -0.478 -3.450 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -5.049 -0.409 -5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.839 -0.195 -4.115 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -4.035 -2.434 -2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.146 -4.951 -2.710 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.499 -2.011 -6.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.698 -6.467 -4.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -5.762 -4.062 -8.289 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.368 -6.266 -7.275 1.00 0.00 H new ATOM 353 N PRO A 22 -5.834 -0.689 -1.084 1.00 0.00 N ATOM 354 CA PRO A 22 -5.319 -0.724 0.284 1.00 0.00 C ATOM 355 C PRO A 22 -3.866 -1.218 0.297 1.00 0.00 C ATOM 356 O PRO A 22 -3.570 -2.359 -0.091 1.00 0.00 O ATOM 357 CB PRO A 22 -6.240 -1.729 0.995 1.00 0.00 C ATOM 358 CG PRO A 22 -6.875 -2.530 -0.091 1.00 0.00 C ATOM 359 CD PRO A 22 -6.937 -1.640 -1.297 1.00 0.00 C ATOM 0 HA PRO A 22 -5.314 0.255 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.674 -2.368 1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.992 -1.215 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.294 -3.428 -0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.873 -2.857 0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.806 -2.206 -2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.898 -1.130 -1.370 1.00 0.00 H new ATOM 367 N ALA A 23 -2.977 -0.380 0.740 1.00 0.00 N ATOM 368 CA ALA A 23 -1.594 -0.669 0.703 1.00 0.00 C ATOM 369 C ALA A 23 -0.911 -0.169 1.953 1.00 0.00 C ATOM 370 O ALA A 23 -1.507 0.550 2.755 1.00 0.00 O ATOM 371 CB ALA A 23 -0.991 -0.032 -0.520 1.00 0.00 C ATOM 0 H ALA A 23 -3.205 0.530 1.140 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.453 -1.749 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.076 -0.251 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.473 -0.430 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.139 1.047 -0.479 1.00 0.00 H new ATOM 377 N ARG A 24 0.292 -0.595 2.146 1.00 0.00 N ATOM 378 CA ARG A 24 1.099 -0.160 3.253 1.00 0.00 C ATOM 379 C ARG A 24 2.213 0.713 2.717 1.00 0.00 C ATOM 380 O ARG A 24 2.760 0.419 1.642 1.00 0.00 O ATOM 381 CB ARG A 24 1.738 -1.380 3.949 1.00 0.00 C ATOM 382 CG ARG A 24 2.607 -1.041 5.163 1.00 0.00 C ATOM 383 CD ARG A 24 3.416 -2.245 5.640 1.00 0.00 C ATOM 384 NE ARG A 24 4.232 -1.928 6.840 1.00 0.00 N ATOM 385 CZ ARG A 24 5.552 -2.210 6.978 1.00 0.00 C ATOM 386 NH1 ARG A 24 6.243 -2.701 5.978 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.181 -1.957 8.126 1.00 0.00 N ATOM 0 H ARG A 24 0.756 -1.266 1.534 1.00 0.00 H new ATOM 0 HA ARG A 24 0.478 0.385 3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.945 -2.058 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.347 -1.918 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.285 -0.227 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.973 -0.685 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.739 -3.068 5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.070 -2.584 4.836 1.00 0.00 H new ATOM 0 HE ARG A 24 3.765 -1.463 7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.789 -2.876 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.235 -2.908 6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.670 -1.549 8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.173 -2.172 8.222 1.00 0.00 H new ATOM 401 N VAL A 25 2.510 1.803 3.400 1.00 0.00 N ATOM 402 CA VAL A 25 3.731 2.520 3.110 1.00 0.00 C ATOM 403 C VAL A 25 4.795 1.657 3.714 1.00 0.00 C ATOM 404 O VAL A 25 4.834 1.489 4.937 1.00 0.00 O ATOM 405 CB VAL A 25 3.793 3.923 3.764 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.111 4.613 3.415 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.627 4.769 3.317 1.00 0.00 C ATOM 0 H VAL A 25 1.935 2.202 4.142 1.00 0.00 H new ATOM 0 HA VAL A 25 3.829 2.694 2.039 1.00 0.00 H new ATOM 0 HB VAL A 25 3.736 3.801 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.141 5.598 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.944 4.013 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.190 4.721 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.688 5.751 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.655 4.883 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.694 4.285 3.607 1.00 0.00 H new ATOM 417 N ASP A 26 5.595 1.068 2.903 1.00 0.00 N ATOM 418 CA ASP A 26 6.484 0.066 3.395 1.00 0.00 C ATOM 419 C ASP A 26 7.782 0.661 3.923 1.00 0.00 C ATOM 420 O ASP A 26 7.958 1.892 3.943 1.00 0.00 O ATOM 421 CB ASP A 26 6.711 -1.046 2.375 1.00 0.00 C ATOM 422 CG ASP A 26 6.873 -2.361 3.091 1.00 0.00 C ATOM 423 OD1 ASP A 26 5.843 -3.014 3.382 1.00 0.00 O ATOM 424 OD2 ASP A 26 7.990 -2.684 3.490 1.00 0.00 O ATOM 0 H ASP A 26 5.658 1.256 1.902 1.00 0.00 H new ATOM 0 HA ASP A 26 5.998 -0.402 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.869 -1.097 1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.599 -0.832 1.780 1.00 0.00 H new ATOM 429 N GLU A 27 8.668 -0.182 4.345 1.00 0.00 N ATOM 430 CA GLU A 27 9.859 0.226 5.024 1.00 0.00 C ATOM 431 C GLU A 27 11.098 0.151 4.142 1.00 0.00 C ATOM 432 O GLU A 27 11.230 -0.711 3.280 1.00 0.00 O ATOM 433 CB GLU A 27 10.008 -0.563 6.340 1.00 0.00 C ATOM 434 CG GLU A 27 9.883 -2.072 6.172 1.00 0.00 C ATOM 435 CD GLU A 27 9.799 -2.817 7.479 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.668 -2.938 8.062 1.00 0.00 O ATOM 437 OE2 GLU A 27 10.817 -3.364 7.944 1.00 0.00 O ATOM 0 H GLU A 27 8.585 -1.192 4.226 1.00 0.00 H new ATOM 0 HA GLU A 27 9.762 1.282 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.979 -0.335 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.250 -0.222 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.994 -2.291 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.740 -2.439 5.608 1.00 0.00 H new ATOM 444 N VAL A 28 11.975 1.104 4.338 1.00 0.00 N ATOM 445 CA VAL A 28 13.216 1.174 3.612 1.00 0.00 C ATOM 446 C VAL A 28 14.312 0.742 4.541 1.00 0.00 C ATOM 447 O VAL A 28 14.407 1.258 5.660 1.00 0.00 O ATOM 448 CB VAL A 28 13.512 2.615 3.126 1.00 0.00 C ATOM 449 CG1 VAL A 28 14.808 2.686 2.316 1.00 0.00 C ATOM 450 CG2 VAL A 28 12.360 3.122 2.314 1.00 0.00 C ATOM 0 H VAL A 28 11.845 1.859 5.012 1.00 0.00 H new ATOM 0 HA VAL A 28 13.152 0.531 2.734 1.00 0.00 H new ATOM 0 HB VAL A 28 13.643 3.247 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.980 3.713 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.642 2.355 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.726 2.040 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.572 4.136 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.210 2.474 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.458 3.126 2.925 1.00 0.00 H new ATOM 460 N PRO A 29 15.123 -0.220 4.137 1.00 0.00 N ATOM 461 CA PRO A 29 16.193 -0.689 4.966 1.00 0.00 C ATOM 462 C PRO A 29 17.317 0.322 5.095 1.00 0.00 C ATOM 463 O PRO A 29 17.705 0.965 4.112 1.00 0.00 O ATOM 464 CB PRO A 29 16.712 -1.943 4.268 1.00 0.00 C ATOM 465 CG PRO A 29 16.238 -1.848 2.857 1.00 0.00 C ATOM 466 CD PRO A 29 15.035 -0.943 2.855 1.00 0.00 C ATOM 0 HA PRO A 29 15.837 -0.872 5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.800 -1.993 4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.331 -2.844 4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.022 -1.449 2.213 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.979 -2.834 2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.055 -0.256 2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.108 -1.513 2.782 1.00 0.00 H new ATOM 474 N ASP A 30 17.825 0.465 6.294 1.00 0.00 N ATOM 475 CA ASP A 30 18.986 1.298 6.511 1.00 0.00 C ATOM 476 C ASP A 30 20.187 0.591 5.924 1.00 0.00 C ATOM 477 O ASP A 30 20.208 -0.650 5.843 1.00 0.00 O ATOM 478 CB ASP A 30 19.205 1.604 7.997 1.00 0.00 C ATOM 479 CG ASP A 30 20.460 2.431 8.226 1.00 0.00 C ATOM 480 OD1 ASP A 30 20.646 3.440 7.505 1.00 0.00 O ATOM 481 OD2 ASP A 30 21.256 2.072 9.107 1.00 0.00 O ATOM 0 H ASP A 30 17.456 0.018 7.133 1.00 0.00 H new ATOM 0 HA ASP A 30 18.834 2.259 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.340 2.140 8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.279 0.669 8.553 1.00 0.00 H new ATOM 486 N GLY A 31 21.137 1.345 5.472 1.00 0.00 N ATOM 487 CA GLY A 31 22.276 0.770 4.823 1.00 0.00 C ATOM 488 C GLY A 31 22.086 0.688 3.319 1.00 0.00 C ATOM 489 O GLY A 31 23.028 0.373 2.584 1.00 0.00 O ATOM 0 H GLY A 31 21.149 2.363 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.161 1.366 5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 31 22.456 -0.228 5.222 1.00 0.00 H new ATOM 493 N ALA A 32 20.857 0.932 2.854 1.00 0.00 N ATOM 494 CA ALA A 32 20.575 0.956 1.431 1.00 0.00 C ATOM 495 C ALA A 32 21.299 2.122 0.749 1.00 0.00 C ATOM 496 O ALA A 32 20.893 3.267 0.847 1.00 0.00 O ATOM 497 CB ALA A 32 19.077 1.019 1.166 1.00 0.00 C ATOM 0 H ALA A 32 20.048 1.114 3.448 1.00 0.00 H new ATOM 0 HA ALA A 32 20.950 0.026 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 32 18.898 1.036 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.593 0.144 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 32 18.666 1.922 1.616 1.00 0.00 H new ATOM 503 N VAL A 33 22.397 1.802 0.089 1.00 0.00 N ATOM 504 CA VAL A 33 23.217 2.787 -0.630 1.00 0.00 C ATOM 505 C VAL A 33 22.691 3.040 -2.046 1.00 0.00 C ATOM 506 O VAL A 33 23.349 3.672 -2.883 1.00 0.00 O ATOM 507 CB VAL A 33 24.694 2.336 -0.711 1.00 0.00 C ATOM 508 CG1 VAL A 33 25.328 2.315 0.673 1.00 0.00 C ATOM 509 CG2 VAL A 33 24.810 0.963 -1.369 1.00 0.00 C ATOM 0 H VAL A 33 22.755 0.849 0.030 1.00 0.00 H new ATOM 0 HA VAL A 33 23.154 3.715 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 33 25.231 3.057 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 33 26.367 1.995 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.289 3.314 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.783 1.621 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.859 0.669 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.252 0.231 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 33 24.402 1.008 -2.379 1.00 0.00 H new ATOM 519 N LYS A 34 21.555 2.496 -2.328 1.00 0.00 N ATOM 520 CA LYS A 34 20.909 2.697 -3.582 1.00 0.00 C ATOM 521 C LYS A 34 19.867 3.792 -3.427 1.00 0.00 C ATOM 522 O LYS A 34 19.068 3.741 -2.499 1.00 0.00 O ATOM 523 CB LYS A 34 20.249 1.396 -4.063 1.00 0.00 C ATOM 524 CG LYS A 34 21.162 0.163 -4.012 1.00 0.00 C ATOM 525 CD LYS A 34 22.533 0.429 -4.632 1.00 0.00 C ATOM 526 CE LYS A 34 22.458 0.799 -6.111 1.00 0.00 C ATOM 527 NZ LYS A 34 23.802 1.115 -6.665 1.00 0.00 N ATOM 0 H LYS A 34 21.042 1.891 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 34 21.647 2.995 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 34 19.366 1.204 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.905 1.535 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.289 -0.149 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 34 20.683 -0.663 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.022 1.236 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.156 -0.458 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 34 22.018 -0.026 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.800 1.658 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.713 1.362 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.211 1.918 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.422 0.286 -6.565 1.00 0.00 H new ATOM 541 N PRO A 35 19.886 4.807 -4.307 1.00 0.00 N ATOM 542 CA PRO A 35 18.922 5.903 -4.246 1.00 0.00 C ATOM 543 C PRO A 35 17.487 5.422 -4.496 1.00 0.00 C ATOM 544 O PRO A 35 17.254 4.536 -5.327 1.00 0.00 O ATOM 545 CB PRO A 35 19.373 6.860 -5.359 1.00 0.00 C ATOM 546 CG PRO A 35 20.198 6.027 -6.274 1.00 0.00 C ATOM 547 CD PRO A 35 20.837 4.975 -5.417 1.00 0.00 C ATOM 0 HA PRO A 35 18.903 6.370 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.518 7.290 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.950 7.691 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.582 5.575 -7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.953 6.631 -6.777 1.00 0.00 H new ATOM 0 HD2 PRO A 35 20.981 4.044 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 35 21.818 5.290 -5.060 1.00 0.00 H new ATOM 555 N PRO A 36 16.516 5.991 -3.774 1.00 0.00 N ATOM 556 CA PRO A 36 15.123 5.611 -3.910 1.00 0.00 C ATOM 557 C PRO A 36 14.492 6.174 -5.181 1.00 0.00 C ATOM 558 O PRO A 36 15.056 7.039 -5.852 1.00 0.00 O ATOM 559 CB PRO A 36 14.466 6.227 -2.669 1.00 0.00 C ATOM 560 CG PRO A 36 15.309 7.410 -2.345 1.00 0.00 C ATOM 561 CD PRO A 36 16.709 7.055 -2.766 1.00 0.00 C ATOM 0 HA PRO A 36 14.999 4.531 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.435 6.518 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.442 5.519 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.956 8.296 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.268 7.637 -1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.230 7.915 -3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.303 6.704 -1.922 1.00 0.00 H new ATOM 569 N THR A 37 13.294 5.725 -5.457 1.00 0.00 N ATOM 570 CA THR A 37 12.525 6.103 -6.621 1.00 0.00 C ATOM 571 C THR A 37 11.976 7.561 -6.498 1.00 0.00 C ATOM 572 O THR A 37 11.172 8.029 -7.351 1.00 0.00 O ATOM 573 CB THR A 37 11.355 5.117 -6.726 1.00 0.00 C ATOM 574 OG1 THR A 37 11.853 3.800 -6.445 1.00 0.00 O ATOM 575 CG2 THR A 37 10.745 5.135 -8.117 1.00 0.00 C ATOM 0 H THR A 37 12.807 5.061 -4.856 1.00 0.00 H new ATOM 0 HA THR A 37 13.158 6.072 -7.508 1.00 0.00 H new ATOM 0 HB THR A 37 10.581 5.404 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.213 3.323 -5.876 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.918 4.426 -8.161 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.377 6.136 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.502 4.855 -8.850 1.00 0.00 H new ATOM 583 N ASN A 38 12.423 8.268 -5.440 1.00 0.00 N ATOM 584 CA ASN A 38 11.997 9.648 -5.113 1.00 0.00 C ATOM 585 C ASN A 38 10.531 9.637 -4.753 1.00 0.00 C ATOM 586 O ASN A 38 9.820 10.626 -4.885 1.00 0.00 O ATOM 587 CB ASN A 38 12.269 10.615 -6.287 1.00 0.00 C ATOM 588 CG ASN A 38 13.744 10.734 -6.635 1.00 0.00 C ATOM 589 OD1 ASN A 38 14.451 11.565 -6.100 1.00 0.00 O ATOM 590 ND2 ASN A 38 14.210 9.899 -7.540 1.00 0.00 N ATOM 0 H ASN A 38 13.101 7.892 -4.777 1.00 0.00 H new ATOM 0 HA ASN A 38 12.578 10.007 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.722 10.273 -7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.881 11.602 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.192 9.938 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.589 9.213 -7.969 1.00 0.00 H new ATOM 597 N LYS A 39 10.095 8.483 -4.300 1.00 0.00 N ATOM 598 CA LYS A 39 8.738 8.226 -3.933 1.00 0.00 C ATOM 599 C LYS A 39 8.728 7.327 -2.738 1.00 0.00 C ATOM 600 O LYS A 39 9.792 6.896 -2.274 1.00 0.00 O ATOM 601 CB LYS A 39 8.022 7.533 -5.077 1.00 0.00 C ATOM 602 CG LYS A 39 7.919 8.372 -6.303 1.00 0.00 C ATOM 603 CD LYS A 39 7.234 7.651 -7.421 1.00 0.00 C ATOM 604 CE LYS A 39 7.146 8.549 -8.613 1.00 0.00 C ATOM 605 NZ LYS A 39 8.503 8.971 -9.082 1.00 0.00 N ATOM 0 H LYS A 39 10.705 7.675 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 39 8.234 9.166 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.549 6.610 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.020 7.252 -4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.371 9.286 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.917 8.671 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.784 6.745 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.236 7.342 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.625 8.034 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.556 9.431 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.433 9.357 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.880 9.700 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.141 8.149 -9.084 1.00 0.00 H new ATOM 619 N LEU A 40 7.560 7.009 -2.284 1.00 0.00 N ATOM 620 CA LEU A 40 7.399 6.161 -1.129 1.00 0.00 C ATOM 621 C LEU A 40 7.142 4.729 -1.571 1.00 0.00 C ATOM 622 O LEU A 40 6.447 4.504 -2.576 1.00 0.00 O ATOM 623 CB LEU A 40 6.257 6.669 -0.232 1.00 0.00 C ATOM 624 CG LEU A 40 6.474 8.039 0.434 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.221 8.484 1.154 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.631 7.980 1.420 1.00 0.00 C ATOM 0 H LEU A 40 6.683 7.326 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 40 8.318 6.188 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.348 6.719 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.082 5.931 0.551 1.00 0.00 H new ATOM 0 HG LEU A 40 6.711 8.759 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.394 9.455 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.401 8.564 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.964 7.755 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.768 8.959 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.413 7.243 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.543 7.696 0.895 1.00 0.00 H new ATOM 638 N PRO A 41 7.741 3.747 -0.872 1.00 0.00 N ATOM 639 CA PRO A 41 7.529 2.333 -1.167 1.00 0.00 C ATOM 640 C PRO A 41 6.113 1.918 -0.775 1.00 0.00 C ATOM 641 O PRO A 41 5.690 2.104 0.367 1.00 0.00 O ATOM 642 CB PRO A 41 8.571 1.619 -0.285 1.00 0.00 C ATOM 643 CG PRO A 41 8.839 2.566 0.833 1.00 0.00 C ATOM 644 CD PRO A 41 8.667 3.944 0.266 1.00 0.00 C ATOM 0 HA PRO A 41 7.638 2.094 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.190 0.668 0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.480 1.401 -0.845 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.149 2.397 1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.847 2.430 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.253 4.631 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.619 4.363 -0.061 1.00 0.00 H new ATOM 652 N ILE A 42 5.383 1.397 -1.709 1.00 0.00 N ATOM 653 CA ILE A 42 4.019 1.027 -1.475 1.00 0.00 C ATOM 654 C ILE A 42 3.855 -0.468 -1.670 1.00 0.00 C ATOM 655 O ILE A 42 4.118 -0.987 -2.745 1.00 0.00 O ATOM 656 CB ILE A 42 3.064 1.754 -2.454 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.279 3.287 -2.439 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.622 1.405 -2.139 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.069 3.952 -1.092 1.00 0.00 C ATOM 0 H ILE A 42 5.713 1.215 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 42 3.768 1.312 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 42 3.296 1.409 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.293 3.500 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.600 3.741 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.962 1.923 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.479 0.329 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.388 1.712 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.243 5.024 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.047 3.778 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.766 3.533 -0.367 1.00 0.00 H new ATOM 671 N PHE A 43 3.429 -1.132 -0.655 1.00 0.00 N ATOM 672 CA PHE A 43 3.202 -2.559 -0.711 1.00 0.00 C ATOM 673 C PHE A 43 1.713 -2.826 -0.772 1.00 0.00 C ATOM 674 O PHE A 43 0.976 -2.448 0.141 1.00 0.00 O ATOM 675 CB PHE A 43 3.824 -3.263 0.509 1.00 0.00 C ATOM 676 CG PHE A 43 3.558 -4.748 0.554 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.270 -5.618 -0.252 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.578 -5.268 1.390 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.015 -6.973 -0.222 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.319 -6.619 1.421 1.00 0.00 C ATOM 681 CZ PHE A 43 3.036 -7.472 0.616 1.00 0.00 C ATOM 0 H PHE A 43 3.222 -0.711 0.251 1.00 0.00 H new ATOM 0 HA PHE A 43 3.680 -2.959 -1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.901 -3.096 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.435 -2.806 1.419 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.033 -5.232 -0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.011 -4.603 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.580 -7.643 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.554 -7.008 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.834 -8.533 0.638 1.00 0.00 H new ATOM 691 N PHE A 44 1.270 -3.429 -1.845 1.00 0.00 N ATOM 692 CA PHE A 44 -0.152 -3.747 -2.005 1.00 0.00 C ATOM 693 C PHE A 44 -0.535 -5.032 -1.308 1.00 0.00 C ATOM 694 O PHE A 44 0.153 -6.058 -1.419 1.00 0.00 O ATOM 695 CB PHE A 44 -0.551 -3.855 -3.464 1.00 0.00 C ATOM 696 CG PHE A 44 -0.387 -2.598 -4.224 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.277 -1.561 -4.061 1.00 0.00 C ATOM 698 CD2 PHE A 44 0.649 -2.447 -5.099 1.00 0.00 C ATOM 699 CE1 PHE A 44 -1.132 -0.396 -4.763 1.00 0.00 C ATOM 700 CE2 PHE A 44 0.802 -1.296 -5.800 1.00 0.00 C ATOM 701 CZ PHE A 44 -0.089 -0.262 -5.634 1.00 0.00 C ATOM 0 H PHE A 44 1.860 -3.715 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.686 -2.917 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.046 -4.635 -3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.593 -4.171 -3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.100 -1.668 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.355 -3.253 -5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.837 0.411 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.626 -1.191 -6.490 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.036 0.654 -6.192 1.00 0.00 H new ATOM 711 N PHE A 45 -1.644 -4.987 -0.625 1.00 0.00 N ATOM 712 CA PHE A 45 -2.156 -6.140 0.058 1.00 0.00 C ATOM 713 C PHE A 45 -2.985 -6.988 -0.883 1.00 0.00 C ATOM 714 O PHE A 45 -3.549 -6.482 -1.853 1.00 0.00 O ATOM 715 CB PHE A 45 -2.991 -5.732 1.267 1.00 0.00 C ATOM 716 CG PHE A 45 -2.183 -5.148 2.369 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.472 -5.971 3.211 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.130 -3.788 2.569 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.723 -5.454 4.233 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.378 -3.261 3.596 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.672 -4.097 4.431 1.00 0.00 C ATOM 0 H PHE A 45 -2.218 -4.150 -0.526 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.307 -6.728 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.742 -5.007 0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.526 -6.605 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.505 -7.040 3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.682 -3.128 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.171 -6.115 4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.342 -2.192 3.746 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.081 -3.687 5.237 1.00 0.00 H new ATOM 731 N GLY A 46 -3.019 -8.267 -0.606 1.00 0.00 N ATOM 732 CA GLY A 46 -3.789 -9.249 -1.346 1.00 0.00 C ATOM 733 C GLY A 46 -3.133 -9.714 -2.616 1.00 0.00 C ATOM 734 O GLY A 46 -3.442 -10.787 -3.115 1.00 0.00 O ATOM 0 H GLY A 46 -2.494 -8.673 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.968 -10.112 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.763 -8.824 -1.588 1.00 0.00 H new ATOM 738 N THR A 47 -2.220 -8.943 -3.133 1.00 0.00 N ATOM 739 CA THR A 47 -1.472 -9.366 -4.288 1.00 0.00 C ATOM 740 C THR A 47 -0.006 -9.421 -3.965 1.00 0.00 C ATOM 741 O THR A 47 0.757 -10.160 -4.589 1.00 0.00 O ATOM 742 CB THR A 47 -1.673 -8.375 -5.420 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.371 -7.052 -4.938 1.00 0.00 O ATOM 744 CG2 THR A 47 -3.089 -8.402 -5.908 1.00 0.00 C ATOM 0 H THR A 47 -1.974 -8.020 -2.776 1.00 0.00 H new ATOM 0 HA THR A 47 -1.824 -10.355 -4.583 1.00 0.00 H new ATOM 0 HB THR A 47 -1.014 -8.646 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.245 -6.448 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.208 -7.684 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.330 -9.401 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.761 -8.141 -5.090 1.00 0.00 H new ATOM 752 N HIS A 48 0.376 -8.650 -2.934 1.00 0.00 N ATOM 753 CA HIS A 48 1.750 -8.532 -2.485 1.00 0.00 C ATOM 754 C HIS A 48 2.594 -7.808 -3.541 1.00 0.00 C ATOM 755 O HIS A 48 3.822 -7.917 -3.552 1.00 0.00 O ATOM 756 CB HIS A 48 2.358 -9.900 -2.084 1.00 0.00 C ATOM 757 CG HIS A 48 1.663 -10.585 -0.923 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.052 -11.808 -0.433 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.605 -10.207 -0.157 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.266 -12.153 0.575 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.391 -11.200 0.755 1.00 0.00 N ATOM 0 H HIS A 48 -0.279 -8.088 -2.390 1.00 0.00 H new ATOM 0 HA HIS A 48 1.756 -7.928 -1.577 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.330 -10.563 -2.949 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.407 -9.755 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.039 -9.292 -0.252 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.336 -13.065 1.149 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.339 -11.198 1.467 1.00 0.00 H new ATOM 770 N GLU A 49 1.909 -7.030 -4.399 1.00 0.00 N ATOM 771 CA GLU A 49 2.544 -6.207 -5.415 1.00 0.00 C ATOM 772 C GLU A 49 3.228 -5.042 -4.729 1.00 0.00 C ATOM 773 O GLU A 49 2.961 -4.749 -3.562 1.00 0.00 O ATOM 774 CB GLU A 49 1.496 -5.658 -6.404 1.00 0.00 C ATOM 775 CG GLU A 49 0.835 -6.697 -7.298 1.00 0.00 C ATOM 776 CD GLU A 49 -0.401 -6.158 -8.019 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.442 -5.954 -7.349 1.00 0.00 O ATOM 778 OE2 GLU A 49 -0.368 -5.944 -9.252 1.00 0.00 O ATOM 0 H GLU A 49 0.891 -6.962 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 49 3.264 -6.812 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.720 -5.145 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.975 -4.911 -7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.557 -7.047 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.551 -7.560 -6.696 1.00 0.00 H new ATOM 785 N THR A 50 4.091 -4.388 -5.412 1.00 0.00 N ATOM 786 CA THR A 50 4.782 -3.279 -4.835 1.00 0.00 C ATOM 787 C THR A 50 4.869 -2.163 -5.858 1.00 0.00 C ATOM 788 O THR A 50 5.055 -2.412 -7.047 1.00 0.00 O ATOM 789 CB THR A 50 6.196 -3.681 -4.389 1.00 0.00 C ATOM 790 OG1 THR A 50 6.142 -4.966 -3.747 1.00 0.00 O ATOM 791 CG2 THR A 50 6.750 -2.672 -3.392 1.00 0.00 C ATOM 0 H THR A 50 4.343 -4.597 -6.378 1.00 0.00 H new ATOM 0 HA THR A 50 4.231 -2.942 -3.957 1.00 0.00 H new ATOM 0 HB THR A 50 6.840 -3.714 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.042 -5.227 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.752 -2.974 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.793 -1.687 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.102 -2.632 -2.517 1.00 0.00 H new ATOM 799 N ALA A 51 4.708 -0.971 -5.394 1.00 0.00 N ATOM 800 CA ALA A 51 4.755 0.214 -6.226 1.00 0.00 C ATOM 801 C ALA A 51 5.451 1.331 -5.499 1.00 0.00 C ATOM 802 O ALA A 51 5.876 1.175 -4.354 1.00 0.00 O ATOM 803 CB ALA A 51 3.359 0.664 -6.574 1.00 0.00 C ATOM 0 H ALA A 51 4.536 -0.774 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 51 5.301 -0.032 -7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.409 1.555 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.845 -0.130 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.812 0.893 -5.659 1.00 0.00 H new ATOM 809 N PHE A 52 5.591 2.439 -6.181 1.00 0.00 N ATOM 810 CA PHE A 52 6.167 3.635 -5.638 1.00 0.00 C ATOM 811 C PHE A 52 5.297 4.797 -6.025 1.00 0.00 C ATOM 812 O PHE A 52 5.135 5.080 -7.217 1.00 0.00 O ATOM 813 CB PHE A 52 7.581 3.851 -6.164 1.00 0.00 C ATOM 814 CG PHE A 52 8.561 2.787 -5.743 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.124 2.818 -4.477 1.00 0.00 C ATOM 816 CD2 PHE A 52 8.909 1.756 -6.601 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.015 1.843 -4.076 1.00 0.00 C ATOM 818 CE2 PHE A 52 9.799 0.778 -6.204 1.00 0.00 C ATOM 819 CZ PHE A 52 10.352 0.821 -4.941 1.00 0.00 C ATOM 0 H PHE A 52 5.299 2.533 -7.154 1.00 0.00 H new ATOM 0 HA PHE A 52 6.226 3.545 -4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.550 3.892 -7.253 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.942 4.820 -5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.862 3.614 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.479 1.717 -7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.448 1.880 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.062 -0.020 -6.882 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.048 0.056 -4.629 1.00 0.00 H new ATOM 829 N LEU A 53 4.738 5.459 -5.062 1.00 0.00 N ATOM 830 CA LEU A 53 3.869 6.585 -5.330 1.00 0.00 C ATOM 831 C LEU A 53 4.322 7.775 -4.542 1.00 0.00 C ATOM 832 O LEU A 53 5.191 7.659 -3.667 1.00 0.00 O ATOM 833 CB LEU A 53 2.411 6.257 -4.992 1.00 0.00 C ATOM 834 CG LEU A 53 1.759 5.135 -5.803 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.422 4.806 -5.224 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.602 5.531 -7.269 1.00 0.00 C ATOM 0 H LEU A 53 4.863 5.245 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 53 3.925 6.810 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.357 5.991 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.818 7.162 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 53 2.407 4.260 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.039 4.007 -5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.543 4.481 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.215 5.690 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.136 4.713 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.975 6.420 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.582 5.743 -7.696 1.00 0.00 H new ATOM 848 N GLY A 54 3.766 8.912 -4.849 1.00 0.00 N ATOM 849 CA GLY A 54 4.108 10.090 -4.147 1.00 0.00 C ATOM 850 C GLY A 54 3.200 10.276 -2.963 1.00 0.00 C ATOM 851 O GLY A 54 2.118 9.695 -2.922 1.00 0.00 O ATOM 0 H GLY A 54 3.072 9.036 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.144 10.035 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.032 10.951 -4.810 1.00 0.00 H new ATOM 855 N PRO A 55 3.584 11.118 -2.006 1.00 0.00 N ATOM 856 CA PRO A 55 2.794 11.391 -0.776 1.00 0.00 C ATOM 857 C PRO A 55 1.475 12.115 -1.072 1.00 0.00 C ATOM 858 O PRO A 55 0.681 12.415 -0.170 1.00 0.00 O ATOM 859 CB PRO A 55 3.720 12.286 0.034 1.00 0.00 C ATOM 860 CG PRO A 55 4.622 12.914 -0.964 1.00 0.00 C ATOM 861 CD PRO A 55 4.849 11.872 -2.008 1.00 0.00 C ATOM 0 HA PRO A 55 2.501 10.473 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.157 13.039 0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.284 11.709 0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.170 13.808 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.562 13.221 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.053 12.315 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.699 11.235 -1.764 1.00 0.00 H new ATOM 869 N LYS A 56 1.316 12.480 -2.315 1.00 0.00 N ATOM 870 CA LYS A 56 0.120 13.119 -2.801 1.00 0.00 C ATOM 871 C LYS A 56 -0.819 12.123 -3.467 1.00 0.00 C ATOM 872 O LYS A 56 -1.912 12.473 -3.876 1.00 0.00 O ATOM 873 CB LYS A 56 0.471 14.196 -3.808 1.00 0.00 C ATOM 874 CG LYS A 56 1.426 13.733 -4.921 1.00 0.00 C ATOM 875 CD LYS A 56 1.454 14.704 -6.099 1.00 0.00 C ATOM 876 CE LYS A 56 0.184 14.588 -6.953 1.00 0.00 C ATOM 877 NZ LYS A 56 0.114 13.288 -7.681 1.00 0.00 N ATOM 0 H LYS A 56 2.027 12.340 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.382 13.556 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.448 14.565 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.925 15.036 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.432 13.629 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.121 12.747 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.553 15.724 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.329 14.503 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.693 14.693 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.155 15.407 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.876 12.975 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.495 13.407 -8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.674 12.575 -7.172 1.00 0.00 H new ATOM 891 N ASP A 57 -0.359 10.923 -3.622 1.00 0.00 N ATOM 892 CA ASP A 57 -1.122 9.900 -4.335 1.00 0.00 C ATOM 893 C ASP A 57 -1.576 8.806 -3.426 1.00 0.00 C ATOM 894 O ASP A 57 -2.142 7.787 -3.878 1.00 0.00 O ATOM 895 CB ASP A 57 -0.313 9.333 -5.501 1.00 0.00 C ATOM 896 CG ASP A 57 -0.144 10.343 -6.601 1.00 0.00 C ATOM 897 OD1 ASP A 57 -1.078 10.504 -7.431 1.00 0.00 O ATOM 898 OD2 ASP A 57 0.888 11.038 -6.635 1.00 0.00 O ATOM 0 H ASP A 57 0.545 10.608 -3.269 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.015 10.382 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.667 9.016 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.812 8.447 -5.894 1.00 0.00 H new ATOM 903 N ILE A 58 -1.335 9.008 -2.166 1.00 0.00 N ATOM 904 CA ILE A 58 -1.705 8.083 -1.141 1.00 0.00 C ATOM 905 C ILE A 58 -2.504 8.784 -0.060 1.00 0.00 C ATOM 906 O ILE A 58 -2.278 9.965 0.236 1.00 0.00 O ATOM 907 CB ILE A 58 -0.468 7.431 -0.518 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.519 8.492 -0.077 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.178 6.469 -1.478 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.775 7.937 0.498 1.00 0.00 C ATOM 0 H ILE A 58 -0.864 9.842 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.318 7.307 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.785 6.865 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.768 9.122 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.043 9.134 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.054 6.021 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.533 5.686 -1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.482 7.003 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.433 8.755 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.538 7.330 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.275 7.319 -0.248 1.00 0.00 H new ATOM 922 N PHE A 59 -3.419 8.060 0.518 1.00 0.00 N ATOM 923 CA PHE A 59 -4.308 8.578 1.544 1.00 0.00 C ATOM 924 C PHE A 59 -4.482 7.507 2.609 1.00 0.00 C ATOM 925 O PHE A 59 -4.437 6.339 2.289 1.00 0.00 O ATOM 926 CB PHE A 59 -5.680 8.960 0.950 1.00 0.00 C ATOM 927 CG PHE A 59 -5.611 9.985 -0.154 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.474 11.333 0.138 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.672 9.597 -1.480 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.396 12.270 -0.874 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.596 10.525 -2.494 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.457 11.865 -2.194 1.00 0.00 C ATOM 0 H PHE A 59 -3.579 7.078 0.294 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.874 9.479 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.160 8.060 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.315 9.344 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.428 11.654 1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.781 8.550 -1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.288 13.317 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.645 10.204 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.396 12.595 -2.988 1.00 0.00 H new ATOM 942 N PRO A 60 -4.663 7.884 3.884 1.00 0.00 N ATOM 943 CA PRO A 60 -4.770 6.926 5.008 1.00 0.00 C ATOM 944 C PRO A 60 -5.952 5.986 4.904 1.00 0.00 C ATOM 945 O PRO A 60 -7.088 6.413 4.671 1.00 0.00 O ATOM 946 CB PRO A 60 -4.887 7.823 6.234 1.00 0.00 C ATOM 947 CG PRO A 60 -5.413 9.103 5.699 1.00 0.00 C ATOM 948 CD PRO A 60 -4.800 9.269 4.347 1.00 0.00 C ATOM 0 HA PRO A 60 -3.912 6.254 5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.560 7.396 6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.921 7.961 6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.501 9.081 5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.150 9.936 6.351 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.435 9.857 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.837 9.776 4.399 1.00 0.00 H new ATOM 956 N TYR A 61 -5.672 4.707 5.115 1.00 0.00 N ATOM 957 CA TYR A 61 -6.667 3.656 5.025 1.00 0.00 C ATOM 958 C TYR A 61 -7.765 3.876 6.033 1.00 0.00 C ATOM 959 O TYR A 61 -8.922 3.726 5.722 1.00 0.00 O ATOM 960 CB TYR A 61 -6.030 2.265 5.242 1.00 0.00 C ATOM 961 CG TYR A 61 -7.023 1.119 5.169 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.359 0.551 3.957 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.637 0.623 6.312 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.278 -0.471 3.876 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.559 -0.390 6.238 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.877 -0.930 5.014 1.00 0.00 C ATOM 967 OH TYR A 61 -9.799 -1.932 4.937 1.00 0.00 O ATOM 0 H TYR A 61 -4.739 4.371 5.355 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.092 3.690 4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.254 2.110 4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.540 2.248 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.892 0.915 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.384 1.042 7.275 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.523 -0.907 2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.032 -0.761 7.135 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.506 -2.689 5.486 1.00 0.00 H new ATOM 977 N SER A 62 -7.380 4.286 7.214 1.00 0.00 N ATOM 978 CA SER A 62 -8.298 4.455 8.321 1.00 0.00 C ATOM 979 C SER A 62 -9.391 5.489 8.004 1.00 0.00 C ATOM 980 O SER A 62 -10.562 5.282 8.295 1.00 0.00 O ATOM 981 CB SER A 62 -7.487 4.889 9.532 1.00 0.00 C ATOM 982 OG SER A 62 -6.346 4.044 9.676 1.00 0.00 O ATOM 0 H SER A 62 -6.412 4.515 7.441 1.00 0.00 H new ATOM 0 HA SER A 62 -8.809 3.512 8.516 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.171 5.926 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.103 4.841 10.430 1.00 0.00 H new ATOM 0 HG SER A 62 -5.825 4.328 10.456 1.00 0.00 H new ATOM 988 N GLU A 63 -8.995 6.555 7.350 1.00 0.00 N ATOM 989 CA GLU A 63 -9.882 7.667 7.071 1.00 0.00 C ATOM 990 C GLU A 63 -10.509 7.567 5.699 1.00 0.00 C ATOM 991 O GLU A 63 -11.293 8.425 5.320 1.00 0.00 O ATOM 992 CB GLU A 63 -9.094 8.950 7.199 1.00 0.00 C ATOM 993 CG GLU A 63 -8.552 9.129 8.587 1.00 0.00 C ATOM 994 CD GLU A 63 -7.389 10.059 8.651 1.00 0.00 C ATOM 995 OE1 GLU A 63 -7.559 11.289 8.605 1.00 0.00 O ATOM 996 OE2 GLU A 63 -6.263 9.560 8.727 1.00 0.00 O ATOM 0 H GLU A 63 -8.047 6.679 6.994 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.701 7.649 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.271 8.945 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.732 9.796 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.345 9.505 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.253 8.158 8.981 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.114 6.562 4.930 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.668 6.351 3.611 1.00 0.00 C ATOM 1005 C ASN A 64 -11.220 4.934 3.458 1.00 0.00 C ATOM 1006 O ASN A 64 -11.521 4.500 2.349 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.605 6.640 2.537 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.187 8.107 2.475 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.722 8.880 1.701 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.259 8.503 3.320 1.00 0.00 N ATOM 0 H ASN A 64 -9.407 5.879 5.204 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.500 7.043 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.725 6.027 2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.992 6.339 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.970 9.481 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.829 7.832 3.956 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.411 4.233 4.576 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.904 2.847 4.549 1.00 0.00 C ATOM 1019 C LYS A 65 -13.354 2.833 4.107 1.00 0.00 C ATOM 1020 O LYS A 65 -13.791 1.961 3.376 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.752 2.171 5.925 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.234 0.722 5.973 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.163 0.146 7.390 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.638 -1.312 7.442 1.00 0.00 C ATOM 1025 NZ LYS A 65 -11.698 -2.252 6.792 1.00 0.00 N ATOM 0 H LYS A 65 -11.234 4.597 5.512 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.304 2.280 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.702 2.202 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.306 2.750 6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.260 0.668 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.626 0.114 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.138 0.207 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.776 0.751 8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.775 -1.606 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.612 -1.388 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.221 -2.871 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.982 -1.716 6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.229 -2.831 7.517 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.073 3.820 4.519 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.425 3.984 4.130 1.00 0.00 C ATOM 1041 C GLU A 66 -15.549 4.490 2.694 1.00 0.00 C ATOM 1042 O GLU A 66 -16.573 4.276 2.014 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.173 4.843 5.129 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.359 5.888 5.863 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.682 6.900 4.979 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.566 6.631 4.523 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.239 7.976 4.722 1.00 0.00 O ATOM 0 H GLU A 66 -13.729 4.547 5.147 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.901 3.003 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.984 5.348 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.632 4.186 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.013 6.414 6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.600 5.383 6.460 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.494 5.116 2.215 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.458 5.642 0.878 1.00 0.00 C ATOM 1056 C LYS A 67 -14.056 4.613 -0.136 1.00 0.00 C ATOM 1057 O LYS A 67 -14.791 4.365 -1.102 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.540 6.835 0.784 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.953 7.876 1.739 1.00 0.00 C ATOM 1060 CD LYS A 67 -13.328 9.203 1.485 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.512 9.562 2.666 1.00 0.00 C ATOM 1062 NZ LYS A 67 -13.294 9.559 3.930 1.00 0.00 N ATOM 0 H LYS A 67 -13.638 5.272 2.748 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.477 5.954 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.514 6.530 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.556 7.235 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.037 7.982 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.699 7.552 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.706 9.166 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.095 9.957 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.683 8.860 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.078 10.550 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.395 10.534 4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.236 9.155 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.799 8.987 4.643 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.929 3.984 0.091 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.355 3.070 -0.891 1.00 0.00 C ATOM 1078 C TYR A 68 -12.150 1.663 -0.354 1.00 0.00 C ATOM 1079 O TYR A 68 -11.771 0.768 -1.099 1.00 0.00 O ATOM 1080 CB TYR A 68 -11.026 3.621 -1.403 1.00 0.00 C ATOM 1081 CG TYR A 68 -11.131 5.014 -1.957 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.788 5.251 -3.149 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.589 6.094 -1.274 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.902 6.527 -3.657 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.699 7.375 -1.771 1.00 0.00 C ATOM 1086 CZ TYR A 68 -11.356 7.586 -2.963 1.00 0.00 C ATOM 1087 OH TYR A 68 -11.470 8.856 -3.462 1.00 0.00 O ATOM 0 H TYR A 68 -12.383 4.082 0.947 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.076 2.998 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.301 3.615 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.641 2.958 -2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.219 4.423 -3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.074 5.928 -0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.415 6.696 -4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.273 8.207 -1.230 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.033 9.487 -2.853 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.422 1.458 0.918 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.234 0.137 1.531 1.00 0.00 C ATOM 1099 C GLY A 69 -13.394 -0.801 1.236 1.00 0.00 C ATOM 1100 O GLY A 69 -13.992 -1.373 2.144 1.00 0.00 O ATOM 0 H GLY A 69 -12.772 2.176 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.308 -0.305 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.125 0.251 2.610 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.716 -0.926 -0.023 1.00 0.00 N ATOM 1105 CA LYS A 70 -14.821 -1.729 -0.485 1.00 0.00 C ATOM 1106 C LYS A 70 -14.370 -2.599 -1.657 1.00 0.00 C ATOM 1107 O LYS A 70 -13.385 -2.269 -2.303 1.00 0.00 O ATOM 1108 CB LYS A 70 -15.988 -0.799 -0.848 1.00 0.00 C ATOM 1109 CG LYS A 70 -15.624 0.292 -1.843 1.00 0.00 C ATOM 1110 CD LYS A 70 -16.621 1.442 -1.818 1.00 0.00 C ATOM 1111 CE LYS A 70 -16.703 2.052 -0.418 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.347 3.382 -0.416 1.00 0.00 N ATOM 0 H LYS A 70 -13.207 -0.462 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.166 -2.407 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.800 -1.397 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.366 -0.334 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.627 0.671 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.584 -0.131 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.322 2.205 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.604 1.085 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.261 1.381 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.699 2.138 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.454 3.714 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.757 4.054 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.283 3.315 -0.863 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.064 -3.735 -1.910 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.713 -4.688 -2.974 1.00 0.00 C ATOM 1128 C PRO A 71 -14.466 -4.090 -4.341 1.00 0.00 C ATOM 1129 O PRO A 71 -15.055 -3.071 -4.737 1.00 0.00 O ATOM 1130 CB PRO A 71 -15.930 -5.555 -3.088 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.518 -5.564 -1.727 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.232 -4.211 -1.143 1.00 0.00 C ATOM 0 HA PRO A 71 -13.778 -5.178 -2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.633 -5.156 -3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.669 -6.562 -3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.591 -5.753 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.078 -6.353 -1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.084 -3.540 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.012 -4.274 -0.077 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.664 -4.780 -5.095 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.337 -4.352 -6.417 1.00 0.00 C ATOM 1142 C ASN A 72 -13.385 -5.540 -7.347 1.00 0.00 C ATOM 1143 O ASN A 72 -13.810 -6.624 -6.949 1.00 0.00 O ATOM 1144 CB ASN A 72 -11.957 -3.727 -6.436 1.00 0.00 C ATOM 1145 CG ASN A 72 -11.800 -2.745 -7.549 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.327 -3.078 -8.641 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.278 -1.574 -7.310 1.00 0.00 N ATOM 0 H ASN A 72 -13.220 -5.653 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.058 -3.604 -6.747 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.772 -3.228 -5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.206 -4.511 -6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.279 -0.864 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.656 -1.356 -6.388 1.00 0.00 H new ATOM 1154 N LYS A 73 -12.978 -5.338 -8.575 1.00 0.00 N ATOM 1155 CA LYS A 73 -12.955 -6.385 -9.560 1.00 0.00 C ATOM 1156 C LYS A 73 -11.539 -6.912 -9.709 1.00 0.00 C ATOM 1157 O LYS A 73 -11.314 -7.964 -10.288 1.00 0.00 O ATOM 1158 CB LYS A 73 -13.502 -5.867 -10.889 1.00 0.00 C ATOM 1159 CG LYS A 73 -14.954 -5.378 -10.807 1.00 0.00 C ATOM 1160 CD LYS A 73 -15.905 -6.500 -10.387 1.00 0.00 C ATOM 1161 CE LYS A 73 -17.336 -6.001 -10.220 1.00 0.00 C ATOM 1162 NZ LYS A 73 -17.460 -5.014 -9.106 1.00 0.00 N ATOM 0 H LYS A 73 -12.651 -4.435 -8.920 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.593 -7.208 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.871 -5.049 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.436 -6.660 -11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.022 -4.557 -10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.261 -4.984 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.882 -7.294 -11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.561 -6.935 -9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.670 -5.541 -11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.995 -6.848 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.465 -4.868 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.967 -5.376 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.035 -4.110 -9.394 1.00 0.00 H new ATOM 1176 N ARG A 74 -10.578 -6.162 -9.181 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.214 -6.611 -9.168 1.00 0.00 C ATOM 1178 C ARG A 74 -9.036 -7.746 -8.192 1.00 0.00 C ATOM 1179 O ARG A 74 -9.379 -7.633 -7.008 1.00 0.00 O ATOM 1180 CB ARG A 74 -8.256 -5.469 -8.838 1.00 0.00 C ATOM 1181 CG ARG A 74 -7.729 -4.722 -10.053 1.00 0.00 C ATOM 1182 CD ARG A 74 -6.647 -5.534 -10.793 1.00 0.00 C ATOM 1183 NE ARG A 74 -5.407 -5.712 -9.976 1.00 0.00 N ATOM 1184 CZ ARG A 74 -4.105 -5.595 -10.409 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -3.829 -5.292 -11.678 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -3.096 -5.757 -9.545 1.00 0.00 N ATOM 0 H ARG A 74 -10.730 -5.245 -8.761 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.975 -6.971 -10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.765 -4.761 -8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.411 -5.870 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.552 -4.507 -10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.315 -3.763 -9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.048 -6.513 -11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.394 -5.031 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.540 -5.945 -8.992 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.588 -5.143 -12.343 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.859 -5.209 -11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.291 -5.967 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.131 -5.670 -9.865 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.544 -8.842 -8.696 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.218 -9.964 -7.872 1.00 0.00 C ATOM 1202 C LYS A 75 -7.038 -9.581 -7.014 1.00 0.00 C ATOM 1203 O LYS A 75 -6.042 -9.070 -7.522 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.930 -11.198 -8.740 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.474 -12.446 -7.977 1.00 0.00 C ATOM 1206 CD LYS A 75 -8.401 -12.835 -6.816 1.00 0.00 C ATOM 1207 CE LYS A 75 -9.834 -13.122 -7.249 1.00 0.00 C ATOM 1208 NZ LYS A 75 -10.669 -13.546 -6.095 1.00 0.00 N ATOM 0 H LYS A 75 -8.359 -8.980 -9.690 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.055 -10.229 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.831 -11.445 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.162 -10.938 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.408 -13.282 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.470 -12.276 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.997 -13.717 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.407 -12.030 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.265 -12.230 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.837 -13.902 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.588 -13.060 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.820 -14.574 -6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.185 -13.301 -5.208 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.193 -9.750 -5.732 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.187 -9.372 -4.810 1.00 0.00 C ATOM 1224 C GLY A 76 -6.612 -8.155 -4.031 1.00 0.00 C ATOM 1225 O GLY A 76 -6.099 -7.889 -2.972 1.00 0.00 O ATOM 0 H GLY A 76 -8.026 -10.156 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.985 -10.196 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.258 -9.164 -5.342 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.579 -7.423 -4.557 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.062 -6.225 -3.899 1.00 0.00 C ATOM 1231 C PHE A 77 -8.957 -6.625 -2.730 1.00 0.00 C ATOM 1232 O PHE A 77 -8.818 -6.117 -1.622 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.838 -5.363 -4.900 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.174 -3.968 -4.435 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.166 -3.738 -3.497 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.509 -2.887 -4.969 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.480 -2.456 -3.104 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -8.817 -1.602 -4.578 1.00 0.00 C ATOM 1239 CZ PHE A 77 -9.805 -1.386 -3.642 1.00 0.00 C ATOM 0 H PHE A 77 -8.044 -7.639 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.221 -5.643 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.255 -5.290 -5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.766 -5.876 -5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.700 -4.573 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.735 -3.048 -5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.257 -2.291 -2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.285 -0.765 -5.005 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.048 -0.380 -3.332 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.847 -7.574 -2.985 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.783 -8.057 -1.959 1.00 0.00 C ATOM 1251 C ASN A 78 -10.018 -8.833 -0.928 1.00 0.00 C ATOM 1252 O ASN A 78 -10.246 -8.717 0.276 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.889 -8.947 -2.563 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.854 -8.205 -3.473 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -13.823 -7.660 -3.022 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.608 -8.209 -4.762 1.00 0.00 N ATOM 0 H ASN A 78 -9.947 -8.030 -3.892 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.268 -7.193 -1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.423 -9.755 -3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.453 -9.408 -1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.248 -7.742 -5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.777 -8.679 -5.121 1.00 0.00 H new ATOM 1263 N GLU A 79 -9.086 -9.591 -1.420 1.00 0.00 N ATOM 1264 CA GLU A 79 -8.195 -10.377 -0.634 1.00 0.00 C ATOM 1265 C GLU A 79 -7.304 -9.451 0.211 1.00 0.00 C ATOM 1266 O GLU A 79 -6.996 -9.735 1.369 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.342 -11.253 -1.563 1.00 0.00 C ATOM 1268 CG GLU A 79 -8.122 -12.301 -2.406 1.00 0.00 C ATOM 1269 CD GLU A 79 -9.101 -11.739 -3.462 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.946 -10.578 -3.917 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -10.029 -12.462 -3.866 1.00 0.00 O ATOM 0 H GLU A 79 -8.922 -9.680 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.759 -11.023 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.794 -10.602 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.602 -11.778 -0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.398 -12.938 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.684 -12.939 -1.724 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.941 -8.320 -0.377 1.00 0.00 N ATOM 1279 CA GLY A 80 -6.128 -7.333 0.291 1.00 0.00 C ATOM 1280 C GLY A 80 -6.864 -6.634 1.382 1.00 0.00 C ATOM 1281 O GLY A 80 -6.261 -6.233 2.369 1.00 0.00 O ATOM 0 H GLY A 80 -7.205 -8.068 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.243 -7.816 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.780 -6.600 -0.437 1.00 0.00 H new ATOM 1285 N LEU A 81 -8.175 -6.481 1.206 1.00 0.00 N ATOM 1286 CA LEU A 81 -9.030 -5.922 2.246 1.00 0.00 C ATOM 1287 C LEU A 81 -8.916 -6.788 3.486 1.00 0.00 C ATOM 1288 O LEU A 81 -8.814 -6.297 4.589 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.499 -5.855 1.787 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.811 -4.936 0.598 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -12.268 -5.085 0.189 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.519 -3.484 0.950 1.00 0.00 C ATOM 0 H LEU A 81 -8.667 -6.738 0.350 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.704 -4.905 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.821 -6.864 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.105 -5.533 2.634 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.173 -5.227 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.478 -4.428 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.461 -6.119 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.911 -4.815 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.747 -2.849 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.135 -3.184 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.466 -3.377 1.211 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.867 -8.090 3.273 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.714 -9.015 4.355 1.00 0.00 C ATOM 1306 C TRP A 82 -7.321 -8.877 4.979 1.00 0.00 C ATOM 1307 O TRP A 82 -7.195 -8.757 6.196 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.971 -10.451 3.873 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.728 -11.482 4.923 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.577 -11.858 5.903 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.545 -12.260 5.091 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.992 -12.822 6.693 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.742 -13.087 6.207 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.343 -12.326 4.401 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.770 -13.976 6.651 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.373 -13.207 4.837 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.593 -14.024 5.954 1.00 0.00 C ATOM 0 H TRP A 82 -8.932 -8.522 2.351 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.451 -8.784 5.124 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.002 -10.531 3.528 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.331 -10.658 3.016 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.571 -11.460 6.046 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.420 -13.265 7.506 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.169 -11.700 3.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.937 -14.605 7.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.432 -13.267 4.310 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.818 -14.706 6.272 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.290 -8.869 4.145 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.917 -8.758 4.640 1.00 0.00 C ATOM 1330 C GLU A 83 -4.662 -7.494 5.436 1.00 0.00 C ATOM 1331 O GLU A 83 -4.077 -7.563 6.490 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.848 -8.901 3.554 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.632 -10.311 3.045 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.331 -10.444 2.265 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.043 -9.592 1.410 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.553 -11.383 2.525 1.00 0.00 O ATOM 0 H GLU A 83 -6.372 -8.937 3.131 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.825 -9.612 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.121 -8.265 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.903 -8.524 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.622 -11.003 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.468 -10.598 2.407 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.147 -6.367 4.974 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.829 -5.109 5.631 1.00 0.00 C ATOM 1345 C ILE A 84 -5.546 -4.963 6.990 1.00 0.00 C ATOM 1346 O ILE A 84 -5.027 -4.334 7.910 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.079 -3.882 4.699 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.503 -2.601 5.319 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.566 -3.715 4.394 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.485 -1.412 4.385 1.00 0.00 C ATOM 0 H ILE A 84 -5.755 -6.288 4.159 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.760 -5.129 5.844 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.563 -4.067 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.087 -2.345 6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.485 -2.800 5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.709 -2.853 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.938 -4.611 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.113 -3.562 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.063 -0.550 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.876 -1.645 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.502 -1.183 4.068 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.696 -5.592 7.117 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.468 -5.542 8.360 1.00 0.00 C ATOM 1364 C ASP A 85 -7.036 -6.627 9.349 1.00 0.00 C ATOM 1365 O ASP A 85 -7.323 -6.541 10.536 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.980 -5.660 8.080 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.628 -4.374 7.577 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -10.085 -3.537 8.400 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -9.754 -4.184 6.353 1.00 0.00 O ATOM 0 H ASP A 85 -7.125 -6.148 6.377 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.266 -4.572 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.141 -6.446 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.484 -5.973 8.995 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.334 -7.639 8.863 1.00 0.00 N ATOM 1375 CA ASN A 86 -5.947 -8.779 9.724 1.00 0.00 C ATOM 1376 C ASN A 86 -4.453 -8.873 9.920 1.00 0.00 C ATOM 1377 O ASN A 86 -3.957 -8.958 11.047 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.479 -10.107 9.162 1.00 0.00 C ATOM 1379 CG ASN A 86 -7.980 -10.226 9.260 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.517 -10.767 10.217 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.663 -9.713 8.285 1.00 0.00 N ATOM 0 H ASN A 86 -6.018 -7.708 7.896 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.402 -8.593 10.697 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.179 -10.200 8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.018 -10.935 9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.682 -9.753 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.181 -9.270 7.503 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.717 -8.852 8.843 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.262 -8.974 8.937 1.00 0.00 C ATOM 1390 C ASN A 87 -1.572 -7.833 8.176 1.00 0.00 C ATOM 1391 O ASN A 87 -0.930 -8.063 7.170 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.795 -10.325 8.363 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.346 -10.672 8.702 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.177 -10.304 9.767 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.309 -11.383 7.816 1.00 0.00 N ATOM 0 H ASN A 87 -4.081 -8.754 7.895 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.989 -8.917 9.991 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.445 -11.114 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.911 -10.308 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.278 -11.650 7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.150 -11.669 6.951 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.679 -6.576 8.650 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.088 -5.421 7.946 1.00 0.00 C ATOM 1404 C PRO A 88 0.427 -5.348 8.127 1.00 0.00 C ATOM 1405 O PRO A 88 1.114 -4.526 7.530 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.772 -4.225 8.591 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.127 -4.676 9.967 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.403 -6.151 9.877 1.00 0.00 C ATOM 0 HA PRO A 88 -1.238 -5.475 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.110 -3.360 8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.660 -3.930 8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.312 -4.476 10.663 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.001 -4.140 10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.040 -6.680 10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.471 -6.354 9.801 1.00 0.00 H new ATOM 1416 N LYS A 89 0.919 -6.224 8.951 1.00 0.00 N ATOM 1417 CA LYS A 89 2.314 -6.308 9.280 1.00 0.00 C ATOM 1418 C LYS A 89 3.017 -7.312 8.369 1.00 0.00 C ATOM 1419 O LYS A 89 4.145 -7.742 8.644 1.00 0.00 O ATOM 1420 CB LYS A 89 2.468 -6.687 10.769 1.00 0.00 C ATOM 1421 CG LYS A 89 1.596 -7.864 11.206 1.00 0.00 C ATOM 1422 CD LYS A 89 1.784 -8.200 12.678 1.00 0.00 C ATOM 1423 CE LYS A 89 0.793 -9.269 13.144 1.00 0.00 C ATOM 1424 NZ LYS A 89 0.903 -10.533 12.367 1.00 0.00 N ATOM 0 H LYS A 89 0.346 -6.921 9.427 1.00 0.00 H new ATOM 0 HA LYS A 89 2.786 -5.339 9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.512 -6.930 10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.222 -5.819 11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.548 -7.627 11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.838 -8.738 10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.803 -8.550 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.655 -7.298 13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.963 -9.481 14.200 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.222 -8.881 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.392 -11.291 12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.490 -10.397 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.905 -10.796 12.272 1.00 0.00 H new ATOM 1438 N VAL A 90 2.354 -7.688 7.287 1.00 0.00 N ATOM 1439 CA VAL A 90 2.932 -8.610 6.349 1.00 0.00 C ATOM 1440 C VAL A 90 3.912 -7.910 5.383 1.00 0.00 C ATOM 1441 O VAL A 90 3.577 -7.513 4.287 1.00 0.00 O ATOM 1442 CB VAL A 90 1.859 -9.498 5.617 1.00 0.00 C ATOM 1443 CG1 VAL A 90 0.914 -8.704 4.714 1.00 0.00 C ATOM 1444 CG2 VAL A 90 2.496 -10.667 4.885 1.00 0.00 C ATOM 0 H VAL A 90 1.417 -7.364 7.045 1.00 0.00 H new ATOM 0 HA VAL A 90 3.528 -9.314 6.930 1.00 0.00 H new ATOM 0 HB VAL A 90 1.230 -9.907 6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.203 -9.384 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.373 -7.969 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.491 -8.193 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.721 -11.255 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.195 -10.291 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.030 -11.295 5.598 1.00 0.00 H new ATOM 1454 N LYS A 91 5.123 -7.745 5.838 1.00 0.00 N ATOM 1455 CA LYS A 91 6.137 -7.072 5.050 1.00 0.00 C ATOM 1456 C LYS A 91 7.194 -8.044 4.558 1.00 0.00 C ATOM 1457 O LYS A 91 8.287 -7.680 4.177 1.00 0.00 O ATOM 1458 CB LYS A 91 6.693 -5.862 5.827 1.00 0.00 C ATOM 1459 CG LYS A 91 7.352 -6.103 7.206 1.00 0.00 C ATOM 1460 CD LYS A 91 8.748 -6.717 7.120 1.00 0.00 C ATOM 1461 CE LYS A 91 9.422 -6.755 8.485 1.00 0.00 C ATOM 1462 NZ LYS A 91 9.651 -5.391 9.034 1.00 0.00 N ATOM 0 H LYS A 91 5.440 -8.066 6.753 1.00 0.00 H new ATOM 0 HA LYS A 91 5.688 -6.670 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.429 -5.370 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.874 -5.157 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.414 -5.155 7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.712 -6.759 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.679 -7.728 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.359 -6.140 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.804 -7.325 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.375 -7.277 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.786 -5.449 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.499 -4.978 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.828 -4.791 8.827 1.00 0.00 H new ATOM 1476 N PHE A 92 6.812 -9.292 4.525 1.00 0.00 N ATOM 1477 CA PHE A 92 7.686 -10.364 4.060 1.00 0.00 C ATOM 1478 C PHE A 92 7.433 -10.603 2.572 1.00 0.00 C ATOM 1479 O PHE A 92 8.068 -11.459 1.932 1.00 0.00 O ATOM 1480 CB PHE A 92 7.403 -11.648 4.857 1.00 0.00 C ATOM 1481 CG PHE A 92 7.532 -11.483 6.353 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.764 -11.592 6.973 1.00 0.00 C ATOM 1483 CD2 PHE A 92 6.413 -11.218 7.137 1.00 0.00 C ATOM 1484 CE1 PHE A 92 8.883 -11.440 8.343 1.00 0.00 C ATOM 1485 CE2 PHE A 92 6.527 -11.065 8.505 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.763 -11.175 9.109 1.00 0.00 C ATOM 0 H PHE A 92 5.887 -9.607 4.818 1.00 0.00 H new ATOM 0 HA PHE A 92 8.728 -10.082 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.395 -11.993 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 92 8.090 -12.427 4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.643 -11.798 6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.443 -11.131 6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.851 -11.528 8.814 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.650 -10.860 9.101 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.855 -11.054 10.178 1.00 0.00 H new ATOM 1496 N SER A 93 6.503 -9.814 2.040 1.00 0.00 N ATOM 1497 CA SER A 93 6.043 -9.883 0.673 1.00 0.00 C ATOM 1498 C SER A 93 5.616 -11.313 0.292 1.00 0.00 C ATOM 1499 O SER A 93 4.587 -11.795 0.752 1.00 0.00 O ATOM 1500 CB SER A 93 7.093 -9.300 -0.292 1.00 0.00 C ATOM 1501 OG SER A 93 7.521 -8.021 0.140 1.00 0.00 O ATOM 0 H SER A 93 6.037 -9.084 2.578 1.00 0.00 H new ATOM 0 HA SER A 93 5.151 -9.263 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.949 -9.972 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.671 -9.227 -1.294 1.00 0.00 H new ATOM 0 HG SER A 93 8.188 -7.671 -0.486 1.00 0.00 H new TER 1507 SER A 93