USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 849 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 Single : A 4 THR OG1 : rot -25:sc= 0.541 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 60:sc= 0.0791 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -4.41 K(o=-4.4,f=-9.9!) USER MOD Single : A 16 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.28) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 127:sc= 0.368 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.266) USER MOD Single : A 49 THR OG1 : rot 110:sc= -0.78! USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.729 (180deg=-1.75) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -5.95! C(o=-6!,f=-5.8!) USER MOD Single : A 66 ASN : amide:sc= 0.0715 K(o=0.071,f=1.5) USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.841 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -130:sc= -1.12 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-6!) USER MOD Single : A 106 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.45) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 52:sc= 0.738 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -0.304 K(o=-0.3,f=-1.3) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 9.872 21.808 3.831 1.00 0.00 N ATOM 47 CA THR A 4 9.886 20.578 4.622 1.00 0.00 C ATOM 48 C THR A 4 9.294 19.414 3.829 1.00 0.00 C ATOM 49 O THR A 4 8.485 19.619 2.922 1.00 0.00 O ATOM 50 CB THR A 4 9.104 20.767 5.928 1.00 0.00 C ATOM 51 OG1 THR A 4 8.048 21.698 5.757 1.00 0.00 O ATOM 52 CG2 THR A 4 9.961 21.252 7.076 1.00 0.00 C ATOM 0 HA THR A 4 10.924 20.346 4.861 1.00 0.00 H new ATOM 0 HB THR A 4 8.719 19.777 6.175 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.261 22.302 5.015 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.345 21.364 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.752 20.528 7.270 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.404 22.214 6.818 1.00 0.00 H new ATOM 60 N VAL A 5 9.698 18.191 4.180 1.00 0.00 N ATOM 61 CA VAL A 5 9.198 17.002 3.502 1.00 0.00 C ATOM 62 C VAL A 5 8.778 15.936 4.508 1.00 0.00 C ATOM 63 O VAL A 5 9.595 15.446 5.292 1.00 0.00 O ATOM 64 CB VAL A 5 10.256 16.406 2.545 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.649 15.294 1.702 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.856 17.489 1.659 1.00 0.00 C ATOM 0 H VAL A 5 10.367 18.003 4.927 1.00 0.00 H new ATOM 0 HA VAL A 5 8.331 17.312 2.918 1.00 0.00 H new ATOM 0 HB VAL A 5 11.058 15.980 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.409 14.887 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.278 14.504 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.824 15.694 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.598 17.046 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.067 17.952 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.333 18.246 2.282 1.00 0.00 H new ATOM 76 N LYS A 6 7.497 15.576 4.470 1.00 0.00 N ATOM 77 CA LYS A 6 6.945 14.563 5.363 1.00 0.00 C ATOM 78 C LYS A 6 6.017 13.628 4.590 1.00 0.00 C ATOM 79 O LYS A 6 4.992 14.059 4.057 1.00 0.00 O ATOM 80 CB LYS A 6 6.185 15.221 6.521 1.00 0.00 C ATOM 81 CG LYS A 6 7.060 16.078 7.424 1.00 0.00 C ATOM 82 CD LYS A 6 6.232 16.843 8.445 1.00 0.00 C ATOM 83 CE LYS A 6 6.895 18.158 8.829 1.00 0.00 C ATOM 84 NZ LYS A 6 5.904 19.259 8.995 1.00 0.00 N ATOM 0 H LYS A 6 6.817 15.976 3.823 1.00 0.00 H new ATOM 0 HA LYS A 6 7.769 13.982 5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.385 15.839 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.712 14.443 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.781 15.444 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.631 16.781 6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.241 17.040 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.094 16.230 9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.449 18.026 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.619 18.435 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.399 20.135 9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.393 19.404 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.228 19.007 9.744 1.00 0.00 H new ATOM 98 N ARG A 7 6.394 12.352 4.520 1.00 0.00 N ATOM 99 CA ARG A 7 5.607 11.353 3.800 1.00 0.00 C ATOM 100 C ARG A 7 5.410 10.091 4.637 1.00 0.00 C ATOM 101 O ARG A 7 6.170 9.826 5.569 1.00 0.00 O ATOM 102 CB ARG A 7 6.298 10.997 2.481 1.00 0.00 C ATOM 103 CG ARG A 7 5.869 11.866 1.309 1.00 0.00 C ATOM 104 CD ARG A 7 6.940 11.909 0.231 1.00 0.00 C ATOM 105 NE ARG A 7 6.555 12.750 -0.902 1.00 0.00 N ATOM 106 CZ ARG A 7 5.793 12.338 -1.920 1.00 0.00 C ATOM 107 NH1 ARG A 7 5.309 11.099 -1.942 1.00 0.00 N ATOM 108 NH2 ARG A 7 5.513 13.167 -2.918 1.00 0.00 N ATOM 0 H ARG A 7 7.241 11.986 4.954 1.00 0.00 H new ATOM 0 HA ARG A 7 4.626 11.781 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.377 11.086 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.090 9.954 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.941 11.479 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.663 12.877 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.869 12.285 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.138 10.897 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 7 6.890 13.713 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.519 10.456 -1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.728 10.792 -2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.879 14.119 -2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.932 12.852 -3.695 1.00 0.00 H new ATOM 122 N THR A 8 4.385 9.314 4.290 1.00 0.00 N ATOM 123 CA THR A 8 4.084 8.072 5.001 1.00 0.00 C ATOM 124 C THR A 8 3.207 7.156 4.148 1.00 0.00 C ATOM 125 O THR A 8 2.154 7.569 3.661 1.00 0.00 O ATOM 126 CB THR A 8 3.392 8.370 6.338 1.00 0.00 C ATOM 127 OG1 THR A 8 3.112 7.168 7.042 1.00 0.00 O ATOM 128 CG2 THR A 8 2.088 9.125 6.189 1.00 0.00 C ATOM 0 H THR A 8 3.749 9.523 3.521 1.00 0.00 H new ATOM 0 HA THR A 8 5.026 7.561 5.200 1.00 0.00 H new ATOM 0 HB THR A 8 4.095 8.997 6.887 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.949 6.690 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.655 9.301 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.275 10.080 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.394 8.538 5.587 1.00 0.00 H new ATOM 136 N ILE A 9 3.649 5.912 3.977 1.00 0.00 N ATOM 137 CA ILE A 9 2.908 4.934 3.190 1.00 0.00 C ATOM 138 C ILE A 9 2.354 3.827 4.086 1.00 0.00 C ATOM 139 O ILE A 9 3.101 3.160 4.806 1.00 0.00 O ATOM 140 CB ILE A 9 3.787 4.328 2.071 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.918 3.596 1.037 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.852 3.402 2.646 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.338 2.286 1.532 1.00 0.00 C ATOM 0 H ILE A 9 4.519 5.559 4.375 1.00 0.00 H new ATOM 0 HA ILE A 9 2.074 5.454 2.720 1.00 0.00 H new ATOM 0 HB ILE A 9 4.301 5.146 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.101 4.252 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.517 3.403 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.454 2.992 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.493 3.963 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.372 2.588 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.738 1.833 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.148 1.610 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.710 2.472 2.404 1.00 0.00 H new ATOM 155 N ARG A 10 1.035 3.645 4.046 1.00 0.00 N ATOM 156 CA ARG A 10 0.374 2.629 4.859 1.00 0.00 C ATOM 157 C ARG A 10 -0.459 1.687 3.992 1.00 0.00 C ATOM 158 O ARG A 10 -1.272 2.133 3.178 1.00 0.00 O ATOM 159 CB ARG A 10 -0.513 3.297 5.914 1.00 0.00 C ATOM 160 CG ARG A 10 0.265 3.885 7.081 1.00 0.00 C ATOM 161 CD ARG A 10 -0.503 5.006 7.764 1.00 0.00 C ATOM 162 NE ARG A 10 0.387 6.050 8.271 1.00 0.00 N ATOM 163 CZ ARG A 10 0.035 6.953 9.189 1.00 0.00 C ATOM 164 NH1 ARG A 10 -1.193 6.959 9.698 1.00 0.00 N ATOM 165 NH2 ARG A 10 0.917 7.859 9.595 1.00 0.00 N ATOM 0 H ARG A 10 0.404 4.189 3.458 1.00 0.00 H new ATOM 0 HA ARG A 10 1.143 2.039 5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.094 4.088 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.224 2.564 6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.483 3.100 7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.223 4.265 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.210 5.443 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.087 4.596 8.588 1.00 0.00 H new ATOM 0 HE ARG A 10 1.336 6.091 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.877 6.269 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.451 7.654 10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.860 7.863 9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.652 8.551 10.296 1.00 0.00 H new ATOM 179 N ILE A 11 -0.251 0.382 4.173 1.00 0.00 N ATOM 180 CA ILE A 11 -0.981 -0.631 3.411 1.00 0.00 C ATOM 181 C ILE A 11 -1.631 -1.652 4.342 1.00 0.00 C ATOM 182 O ILE A 11 -0.966 -2.232 5.201 1.00 0.00 O ATOM 183 CB ILE A 11 -0.057 -1.367 2.412 1.00 0.00 C ATOM 184 CG1 ILE A 11 1.150 -1.979 3.132 1.00 0.00 C ATOM 185 CG2 ILE A 11 0.400 -0.418 1.314 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.336 -3.456 2.858 1.00 0.00 C ATOM 0 H ILE A 11 0.418 0.002 4.842 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.756 -0.109 2.850 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.625 -2.178 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.051 -1.446 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.036 -1.829 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.049 -0.951 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.469 -0.036 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.948 0.414 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.209 -3.820 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.451 -4.001 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.482 -3.612 1.789 1.00 0.00 H new ATOM 198 N LYS A 12 -2.938 -1.862 4.172 1.00 0.00 N ATOM 199 CA LYS A 12 -3.679 -2.810 5.005 1.00 0.00 C ATOM 200 C LYS A 12 -4.323 -3.905 4.156 1.00 0.00 C ATOM 201 O LYS A 12 -4.992 -3.621 3.160 1.00 0.00 O ATOM 202 CB LYS A 12 -4.749 -2.073 5.816 1.00 0.00 C ATOM 203 CG LYS A 12 -4.195 -1.318 7.014 1.00 0.00 C ATOM 204 CD LYS A 12 -3.636 0.041 6.613 1.00 0.00 C ATOM 205 CE LYS A 12 -4.613 1.164 6.928 1.00 0.00 C ATOM 206 NZ LYS A 12 -3.982 2.243 7.741 1.00 0.00 N ATOM 0 H LYS A 12 -3.503 -1.389 3.467 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.974 -3.283 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.268 -1.371 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.490 -2.793 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.983 -1.183 7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.411 -1.909 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.697 0.218 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.411 0.042 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.992 1.586 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.470 0.759 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.682 2.988 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.643 1.847 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.180 2.648 7.217 1.00 0.00 H new ATOM 220 N THR A 13 -4.111 -5.160 4.558 1.00 0.00 N ATOM 221 CA THR A 13 -4.662 -6.307 3.841 1.00 0.00 C ATOM 222 C THR A 13 -5.311 -7.298 4.813 1.00 0.00 C ATOM 223 O THR A 13 -4.619 -7.987 5.565 1.00 0.00 O ATOM 224 CB THR A 13 -3.558 -7.002 3.037 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.965 -6.100 2.117 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.043 -8.203 2.251 1.00 0.00 C ATOM 0 H THR A 13 -3.559 -5.406 5.380 1.00 0.00 H new ATOM 0 HA THR A 13 -5.430 -5.948 3.156 1.00 0.00 H new ATOM 0 HB THR A 13 -2.838 -7.345 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.262 -6.561 1.614 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.207 -8.643 1.707 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.460 -8.942 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.811 -7.889 1.544 1.00 0.00 H new ATOM 234 N GLN A 14 -6.643 -7.365 4.791 1.00 0.00 N ATOM 235 CA GLN A 14 -7.383 -8.271 5.667 1.00 0.00 C ATOM 236 C GLN A 14 -8.208 -9.271 4.856 1.00 0.00 C ATOM 237 O GLN A 14 -8.745 -8.934 3.802 1.00 0.00 O ATOM 238 CB GLN A 14 -8.300 -7.475 6.602 1.00 0.00 C ATOM 239 CG GLN A 14 -9.067 -8.336 7.596 1.00 0.00 C ATOM 240 CD GLN A 14 -10.246 -7.608 8.212 1.00 0.00 C ATOM 241 OE1 GLN A 14 -10.113 -6.955 9.247 1.00 0.00 O ATOM 242 NE2 GLN A 14 -11.408 -7.717 7.579 1.00 0.00 N ATOM 0 H GLN A 14 -7.230 -6.802 4.176 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.659 -8.827 6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.700 -6.750 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.012 -6.909 6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.423 -9.235 7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.391 -8.660 8.387 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.473 -8.269 6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.236 -7.249 7.948 1.00 0.00 H new ATOM 251 N GLN A 15 -8.306 -10.504 5.360 1.00 0.00 N ATOM 252 CA GLN A 15 -9.068 -11.553 4.681 1.00 0.00 C ATOM 253 C GLN A 15 -9.865 -12.390 5.679 1.00 0.00 C ATOM 254 O GLN A 15 -9.384 -12.690 6.771 1.00 0.00 O ATOM 255 CB GLN A 15 -8.128 -12.462 3.884 1.00 0.00 C ATOM 256 CG GLN A 15 -8.826 -13.645 3.229 1.00 0.00 C ATOM 257 CD GLN A 15 -8.947 -13.496 1.726 1.00 0.00 C ATOM 258 OE1 GLN A 15 -8.084 -12.914 1.077 1.00 0.00 O ATOM 259 NE2 GLN A 15 -10.029 -14.020 1.168 1.00 0.00 N ATOM 0 H GLN A 15 -7.869 -10.799 6.233 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.767 -11.068 4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.634 -11.871 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.348 -12.835 4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.275 -14.558 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.821 -13.758 3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.722 -14.496 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.169 -13.948 0.160 1.00 0.00 H new ATOM 268 N HIS A 16 -11.079 -12.780 5.291 1.00 0.00 N ATOM 269 CA HIS A 16 -11.922 -13.599 6.157 1.00 0.00 C ATOM 270 C HIS A 16 -12.748 -14.586 5.338 1.00 0.00 C ATOM 271 O HIS A 16 -13.556 -14.186 4.502 1.00 0.00 O ATOM 272 CB HIS A 16 -12.847 -12.711 6.990 1.00 0.00 C ATOM 273 CG HIS A 16 -13.553 -13.444 8.088 1.00 0.00 C ATOM 274 ND1 HIS A 16 -14.699 -14.185 7.886 1.00 0.00 N ATOM 275 CD2 HIS A 16 -13.269 -13.547 9.407 1.00 0.00 C ATOM 276 CE1 HIS A 16 -15.089 -14.712 9.032 1.00 0.00 C ATOM 277 NE2 HIS A 16 -14.238 -14.340 9.971 1.00 0.00 N ATOM 0 H HIS A 16 -11.497 -12.544 4.391 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.272 -14.164 6.825 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.264 -11.899 7.423 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.588 -12.256 6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.436 -13.091 9.920 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.956 -15.340 9.177 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.292 -14.600 10.956 1.00 0.00 H new ATOM 286 N ILE A 17 -12.546 -15.879 5.588 1.00 0.00 N ATOM 287 CA ILE A 17 -13.282 -16.917 4.871 1.00 0.00 C ATOM 288 C ILE A 17 -14.303 -17.593 5.784 1.00 0.00 C ATOM 289 O ILE A 17 -14.005 -17.899 6.940 1.00 0.00 O ATOM 290 CB ILE A 17 -12.327 -17.985 4.292 1.00 0.00 C ATOM 291 CG1 ILE A 17 -11.124 -17.321 3.611 1.00 0.00 C ATOM 292 CG2 ILE A 17 -13.065 -18.883 3.312 1.00 0.00 C ATOM 293 CD1 ILE A 17 -10.016 -18.289 3.254 1.00 0.00 C ATOM 0 H ILE A 17 -11.882 -16.231 6.278 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.805 -16.429 4.048 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.960 -18.599 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.462 -16.819 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.723 -16.551 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.378 -19.629 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.887 -19.383 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.461 -18.281 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.200 -17.747 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.650 -18.773 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.400 -19.045 2.569 1.00 0.00 H new ATOM 476 N VAL A 29 -17.536 -18.892 0.096 1.00 0.00 N ATOM 477 CA VAL A 29 -17.266 -17.469 -0.118 1.00 0.00 C ATOM 478 C VAL A 29 -16.177 -16.959 0.830 1.00 0.00 C ATOM 479 O VAL A 29 -15.993 -17.496 1.926 1.00 0.00 O ATOM 480 CB VAL A 29 -18.545 -16.625 0.080 1.00 0.00 C ATOM 481 CG1 VAL A 29 -18.300 -15.170 -0.291 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.701 -17.195 -0.729 1.00 0.00 C ATOM 0 HA VAL A 29 -16.920 -17.362 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.813 -16.667 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.216 -14.598 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.511 -14.762 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.998 -15.107 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.590 -16.584 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -19.440 -17.193 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.902 -18.217 -0.407 1.00 0.00 H new ATOM 492 N ARG A 30 -15.460 -15.917 0.400 1.00 0.00 N ATOM 493 CA ARG A 30 -14.388 -15.328 1.207 1.00 0.00 C ATOM 494 C ARG A 30 -14.456 -13.797 1.201 1.00 0.00 C ATOM 495 O ARG A 30 -15.122 -13.194 0.357 1.00 0.00 O ATOM 496 CB ARG A 30 -13.014 -15.792 0.702 1.00 0.00 C ATOM 497 CG ARG A 30 -12.911 -15.915 -0.812 1.00 0.00 C ATOM 498 CD ARG A 30 -11.766 -16.830 -1.222 1.00 0.00 C ATOM 499 NE ARG A 30 -12.234 -18.165 -1.595 1.00 0.00 N ATOM 500 CZ ARG A 30 -12.721 -18.477 -2.799 1.00 0.00 C ATOM 501 NH1 ARG A 30 -12.811 -17.553 -3.752 1.00 0.00 N ATOM 502 NH2 ARG A 30 -13.120 -19.719 -3.051 1.00 0.00 N ATOM 0 H ARG A 30 -15.603 -15.464 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.526 -15.670 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.256 -15.090 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.783 -16.759 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.848 -16.303 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.763 -14.927 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.231 -16.386 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.056 -16.912 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.185 -18.903 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.507 -16.597 -3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.184 -17.800 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.054 -20.433 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.492 -19.959 -3.970 1.00 0.00 H new ATOM 516 N GLN A 31 -13.759 -13.176 2.157 1.00 0.00 N ATOM 517 CA GLN A 31 -13.731 -11.718 2.282 1.00 0.00 C ATOM 518 C GLN A 31 -12.306 -11.187 2.132 1.00 0.00 C ATOM 519 O GLN A 31 -11.339 -11.894 2.414 1.00 0.00 O ATOM 520 CB GLN A 31 -14.313 -11.289 3.633 1.00 0.00 C ATOM 521 CG GLN A 31 -15.445 -10.282 3.514 1.00 0.00 C ATOM 522 CD GLN A 31 -15.215 -9.029 4.339 1.00 0.00 C ATOM 523 OE1 GLN A 31 -14.896 -7.969 3.804 1.00 0.00 O ATOM 524 NE2 GLN A 31 -15.378 -9.146 5.654 1.00 0.00 N ATOM 0 H GLN A 31 -13.204 -13.665 2.859 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.341 -11.296 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.676 -12.171 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.518 -10.859 4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.567 -10.004 2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.376 -10.752 3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.643 -10.045 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.238 -8.337 6.259 1.00 0.00 H new ATOM 533 N TRP A 32 -12.188 -9.938 1.683 1.00 0.00 N ATOM 534 CA TRP A 32 -10.881 -9.309 1.483 1.00 0.00 C ATOM 535 C TRP A 32 -10.966 -7.786 1.596 1.00 0.00 C ATOM 536 O TRP A 32 -12.006 -7.188 1.310 1.00 0.00 O ATOM 537 CB TRP A 32 -10.314 -9.693 0.112 1.00 0.00 C ATOM 538 CG TRP A 32 -11.264 -9.424 -1.020 1.00 0.00 C ATOM 539 CD1 TRP A 32 -12.363 -10.161 -1.360 1.00 0.00 C ATOM 540 CD2 TRP A 32 -11.201 -8.340 -1.954 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.989 -9.600 -2.447 1.00 0.00 N ATOM 542 CE2 TRP A 32 -12.292 -8.483 -2.832 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.327 -7.263 -2.136 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.534 -7.588 -3.872 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.569 -6.376 -3.169 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.663 -6.544 -4.026 1.00 0.00 C ATOM 0 H TRP A 32 -12.981 -9.341 1.450 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.217 -9.671 2.268 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.390 -9.141 -0.059 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.056 -10.752 0.117 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.692 -11.054 -0.849 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.834 -9.956 -2.894 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.479 -7.127 -1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.379 -7.714 -4.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.902 -5.539 -3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.823 -5.835 -4.825 1.00 0.00 H new ATOM 557 N SER A 33 -9.860 -7.166 2.009 1.00 0.00 N ATOM 558 CA SER A 33 -9.795 -5.713 2.156 1.00 0.00 C ATOM 559 C SER A 33 -8.381 -5.196 1.876 1.00 0.00 C ATOM 560 O SER A 33 -7.433 -5.564 2.570 1.00 0.00 O ATOM 561 CB SER A 33 -10.234 -5.306 3.567 1.00 0.00 C ATOM 562 OG SER A 33 -9.876 -3.962 3.854 1.00 0.00 O ATOM 0 H SER A 33 -8.995 -7.650 2.248 1.00 0.00 H new ATOM 0 HA SER A 33 -10.472 -5.266 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.313 -5.425 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.774 -5.971 4.299 1.00 0.00 H new ATOM 0 HG SER A 33 -10.668 -3.470 4.156 1.00 0.00 H new ATOM 568 N ILE A 34 -8.253 -4.335 0.864 1.00 0.00 N ATOM 569 CA ILE A 34 -6.957 -3.757 0.500 1.00 0.00 C ATOM 570 C ILE A 34 -7.037 -2.234 0.465 1.00 0.00 C ATOM 571 O ILE A 34 -8.006 -1.674 -0.047 1.00 0.00 O ATOM 572 CB ILE A 34 -6.467 -4.257 -0.879 1.00 0.00 C ATOM 573 CG1 ILE A 34 -6.592 -5.779 -0.988 1.00 0.00 C ATOM 574 CG2 ILE A 34 -5.027 -3.824 -1.123 1.00 0.00 C ATOM 575 CD1 ILE A 34 -5.753 -6.535 0.021 1.00 0.00 C ATOM 0 H ILE A 34 -9.030 -4.023 0.282 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.247 -4.078 1.262 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.101 -3.809 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.638 -6.058 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.301 -6.087 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.699 -4.185 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.965 -2.736 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.385 -4.241 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.894 -7.607 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.701 -6.286 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.059 -6.257 1.030 1.00 0.00 H new ATOM 587 N GLU A 35 -6.019 -1.566 1.009 1.00 0.00 N ATOM 588 CA GLU A 35 -5.989 -0.102 1.036 1.00 0.00 C ATOM 589 C GLU A 35 -4.562 0.426 1.180 1.00 0.00 C ATOM 590 O GLU A 35 -3.884 0.147 2.173 1.00 0.00 O ATOM 591 CB GLU A 35 -6.854 0.423 2.185 1.00 0.00 C ATOM 592 CG GLU A 35 -6.508 -0.177 3.538 1.00 0.00 C ATOM 593 CD GLU A 35 -7.538 0.151 4.599 1.00 0.00 C ATOM 594 OE1 GLU A 35 -8.581 -0.535 4.646 1.00 0.00 O ATOM 595 OE2 GLU A 35 -7.305 1.096 5.382 1.00 0.00 O ATOM 0 H GLU A 35 -5.207 -2.013 1.435 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.389 0.255 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.749 1.506 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.901 0.216 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.423 -1.259 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.533 0.192 3.857 1.00 0.00 H new ATOM 602 N ILE A 36 -4.118 1.200 0.191 1.00 0.00 N ATOM 603 CA ILE A 36 -2.778 1.784 0.213 1.00 0.00 C ATOM 604 C ILE A 36 -2.854 3.300 0.048 1.00 0.00 C ATOM 605 O ILE A 36 -3.485 3.805 -0.883 1.00 0.00 O ATOM 606 CB ILE A 36 -1.862 1.184 -0.880 1.00 0.00 C ATOM 607 CG1 ILE A 36 -0.489 1.869 -0.860 1.00 0.00 C ATOM 608 CG2 ILE A 36 -2.500 1.302 -2.257 1.00 0.00 C ATOM 609 CD1 ILE A 36 0.529 1.216 -1.770 1.00 0.00 C ATOM 0 H ILE A 36 -4.667 1.437 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.341 1.544 1.182 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.727 0.124 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.609 2.912 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.106 1.866 0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.834 0.872 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.449 0.766 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.675 2.353 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.475 1.754 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.679 0.180 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.168 1.243 -2.798 1.00 0.00 H new ATOM 621 N VAL A 37 -2.212 4.018 0.966 1.00 0.00 N ATOM 622 CA VAL A 37 -2.207 5.478 0.939 1.00 0.00 C ATOM 623 C VAL A 37 -0.789 6.035 1.059 1.00 0.00 C ATOM 624 O VAL A 37 0.116 5.359 1.552 1.00 0.00 O ATOM 625 CB VAL A 37 -3.074 6.070 2.073 1.00 0.00 C ATOM 626 CG1 VAL A 37 -4.527 5.638 1.928 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.528 5.674 3.439 1.00 0.00 C ATOM 0 H VAL A 37 -1.687 3.611 1.740 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.628 5.770 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.033 7.156 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.117 6.067 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.916 5.986 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.589 4.551 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.156 6.103 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.527 4.588 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.510 6.047 3.546 1.00 0.00 H new ATOM 637 N LEU A 38 -0.610 7.277 0.608 1.00 0.00 N ATOM 638 CA LEU A 38 0.689 7.944 0.662 1.00 0.00 C ATOM 639 C LEU A 38 0.527 9.461 0.555 1.00 0.00 C ATOM 640 O LEU A 38 -0.465 9.948 0.009 1.00 0.00 O ATOM 641 CB LEU A 38 1.607 7.436 -0.456 1.00 0.00 C ATOM 642 CG LEU A 38 0.910 7.096 -1.777 1.00 0.00 C ATOM 643 CD1 LEU A 38 1.587 7.812 -2.939 1.00 0.00 C ATOM 644 CD2 LEU A 38 0.907 5.588 -2.002 1.00 0.00 C ATOM 0 H LEU A 38 -1.354 7.843 0.199 1.00 0.00 H new ATOM 0 HA LEU A 38 1.145 7.709 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.367 8.193 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.127 6.546 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.123 7.438 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.078 7.558 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.538 8.889 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.630 7.501 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.408 5.362 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.934 5.223 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.377 5.099 -1.185 1.00 0.00 H new ATOM 656 N LEU A 39 1.504 10.203 1.075 1.00 0.00 N ATOM 657 CA LEU A 39 1.464 11.664 1.033 1.00 0.00 C ATOM 658 C LEU A 39 2.085 12.194 -0.257 1.00 0.00 C ATOM 659 O LEU A 39 2.734 11.451 -0.996 1.00 0.00 O ATOM 660 CB LEU A 39 2.190 12.256 2.244 1.00 0.00 C ATOM 661 CG LEU A 39 1.464 12.088 3.580 1.00 0.00 C ATOM 662 CD1 LEU A 39 2.363 12.508 4.732 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.168 12.891 3.592 1.00 0.00 C ATOM 0 H LEU A 39 2.332 9.817 1.530 1.00 0.00 H new ATOM 0 HA LEU A 39 0.418 11.970 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.173 11.792 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.352 13.319 2.067 1.00 0.00 H new ATOM 0 HG LEU A 39 1.215 11.034 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.830 12.382 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.261 11.890 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.644 13.554 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.333 12.758 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.393 13.947 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.483 12.542 2.791 1.00 0.00 H new ATOM 675 N ASP A 40 1.883 13.486 -0.518 1.00 0.00 N ATOM 676 CA ASP A 40 2.419 14.127 -1.713 1.00 0.00 C ATOM 677 C ASP A 40 2.403 15.644 -1.558 1.00 0.00 C ATOM 678 O ASP A 40 3.444 16.297 -1.626 1.00 0.00 O ATOM 679 CB ASP A 40 1.612 13.720 -2.947 1.00 0.00 C ATOM 680 CG ASP A 40 2.497 13.477 -4.151 1.00 0.00 C ATOM 681 OD1 ASP A 40 3.020 12.352 -4.283 1.00 0.00 O ATOM 682 OD2 ASP A 40 2.679 14.414 -4.955 1.00 0.00 O ATOM 0 H ASP A 40 1.349 14.109 0.087 1.00 0.00 H new ATOM 0 HA ASP A 40 3.450 13.798 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.044 12.816 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.889 14.501 -3.181 1.00 0.00 H new ATOM 687 N ASP A 41 1.207 16.192 -1.335 1.00 0.00 N ATOM 688 CA ASP A 41 1.028 17.634 -1.151 1.00 0.00 C ATOM 689 C ASP A 41 1.735 18.121 0.116 1.00 0.00 C ATOM 690 O ASP A 41 2.084 19.298 0.225 1.00 0.00 O ATOM 691 CB ASP A 41 -0.466 17.979 -1.083 1.00 0.00 C ATOM 692 CG ASP A 41 -1.155 17.393 0.139 1.00 0.00 C ATOM 693 OD1 ASP A 41 -0.959 16.190 0.417 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.889 18.139 0.820 1.00 0.00 O ATOM 0 H ASP A 41 0.342 15.655 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 41 1.474 18.140 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.583 19.063 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.960 17.612 -1.983 1.00 0.00 H new ATOM 699 N GLU A 42 1.949 17.213 1.073 1.00 0.00 N ATOM 700 CA GLU A 42 2.616 17.563 2.323 1.00 0.00 C ATOM 701 C GLU A 42 4.126 17.367 2.209 1.00 0.00 C ATOM 702 O GLU A 42 4.902 18.149 2.760 1.00 0.00 O ATOM 703 CB GLU A 42 2.071 16.714 3.476 1.00 0.00 C ATOM 704 CG GLU A 42 0.997 17.416 4.291 1.00 0.00 C ATOM 705 CD GLU A 42 0.250 16.468 5.210 1.00 0.00 C ATOM 706 OE1 GLU A 42 0.871 15.957 6.167 1.00 0.00 O ATOM 707 OE2 GLU A 42 -0.954 16.238 4.974 1.00 0.00 O ATOM 0 H GLU A 42 1.670 16.234 1.003 1.00 0.00 H new ATOM 0 HA GLU A 42 2.415 18.615 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.662 15.787 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.894 16.439 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.455 18.206 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.288 17.895 3.615 1.00 0.00 H new ATOM 714 N GLY A 43 4.536 16.326 1.485 1.00 0.00 N ATOM 715 CA GLY A 43 5.951 16.052 1.310 1.00 0.00 C ATOM 716 C GLY A 43 6.430 16.364 -0.093 1.00 0.00 C ATOM 717 O GLY A 43 7.014 15.508 -0.761 1.00 0.00 O ATOM 0 H GLY A 43 3.912 15.669 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.524 16.641 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.145 15.003 1.533 1.00 0.00 H new ATOM 721 N LYS A 44 6.183 17.597 -0.532 1.00 0.00 N ATOM 722 CA LYS A 44 6.585 18.059 -1.859 1.00 0.00 C ATOM 723 C LYS A 44 5.873 17.281 -2.967 1.00 0.00 C ATOM 724 O LYS A 44 6.054 16.070 -3.112 1.00 0.00 O ATOM 725 CB LYS A 44 8.100 17.948 -2.024 1.00 0.00 C ATOM 726 CG LYS A 44 8.826 19.264 -1.810 1.00 0.00 C ATOM 727 CD LYS A 44 8.765 20.146 -3.050 1.00 0.00 C ATOM 728 CE LYS A 44 9.557 21.432 -2.859 1.00 0.00 C ATOM 729 NZ LYS A 44 8.923 22.589 -3.553 1.00 0.00 N ATOM 0 H LYS A 44 5.699 18.303 0.022 1.00 0.00 H new ATOM 0 HA LYS A 44 6.292 19.105 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.482 17.211 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.323 17.576 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.383 19.792 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.867 19.068 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.158 19.599 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.726 20.387 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.642 21.650 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.570 21.293 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.299 23.477 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.133 22.541 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.893 22.557 -3.411 1.00 0.00 H new ATOM 743 N GLU A 45 5.064 17.994 -3.749 1.00 0.00 N ATOM 744 CA GLU A 45 4.319 17.383 -4.849 1.00 0.00 C ATOM 745 C GLU A 45 5.138 17.379 -6.152 1.00 0.00 C ATOM 746 O GLU A 45 4.577 17.469 -7.246 1.00 0.00 O ATOM 747 CB GLU A 45 2.994 18.127 -5.060 1.00 0.00 C ATOM 748 CG GLU A 45 3.168 19.584 -5.476 1.00 0.00 C ATOM 749 CD GLU A 45 2.130 20.512 -4.862 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.788 20.327 -3.674 1.00 0.00 O ATOM 751 OE2 GLU A 45 1.665 21.427 -5.572 1.00 0.00 O ATOM 0 H GLU A 45 4.908 18.996 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 45 4.114 16.346 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.413 17.608 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.415 18.089 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.163 19.921 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.111 19.654 -6.562 1.00 0.00 H new ATOM 758 N ILE A 46 6.465 17.271 -6.029 1.00 0.00 N ATOM 759 CA ILE A 46 7.348 17.256 -7.193 1.00 0.00 C ATOM 760 C ILE A 46 8.321 16.074 -7.133 1.00 0.00 C ATOM 761 O ILE A 46 8.922 15.814 -6.087 1.00 0.00 O ATOM 762 CB ILE A 46 8.164 18.566 -7.297 1.00 0.00 C ATOM 763 CG1 ILE A 46 7.249 19.792 -7.181 1.00 0.00 C ATOM 764 CG2 ILE A 46 8.939 18.605 -8.605 1.00 0.00 C ATOM 765 CD1 ILE A 46 7.991 21.064 -6.826 1.00 0.00 C ATOM 0 H ILE A 46 6.948 17.193 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 46 6.710 17.158 -8.071 1.00 0.00 H new ATOM 0 HB ILE A 46 8.873 18.592 -6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.726 19.937 -8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.490 19.599 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.508 19.533 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.622 17.757 -8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.243 18.553 -9.442 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.284 21.891 -6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.492 20.937 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.732 21.280 -7.596 1.00 0.00 H new ATOM 777 N PRO A 47 8.495 15.342 -8.255 1.00 0.00 N ATOM 778 CA PRO A 47 9.406 14.188 -8.321 1.00 0.00 C ATOM 779 C PRO A 47 10.879 14.607 -8.307 1.00 0.00 C ATOM 780 O PRO A 47 11.193 15.797 -8.376 1.00 0.00 O ATOM 781 CB PRO A 47 9.044 13.529 -9.655 1.00 0.00 C ATOM 782 CG PRO A 47 8.525 14.643 -10.493 1.00 0.00 C ATOM 783 CD PRO A 47 7.823 15.583 -9.549 1.00 0.00 C ATOM 0 HA PRO A 47 9.294 13.528 -7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.914 13.059 -10.114 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.294 12.750 -9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.337 15.149 -11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.839 14.271 -11.255 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.925 16.621 -9.867 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.755 15.371 -9.492 1.00 0.00 H new ATOM 791 N ALA A 48 11.780 13.625 -8.220 1.00 0.00 N ATOM 792 CA ALA A 48 13.217 13.900 -8.195 1.00 0.00 C ATOM 793 C ALA A 48 14.017 12.810 -8.911 1.00 0.00 C ATOM 794 O ALA A 48 14.561 13.041 -9.992 1.00 0.00 O ATOM 795 CB ALA A 48 13.699 14.056 -6.759 1.00 0.00 C ATOM 0 H ALA A 48 11.540 12.635 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 48 13.384 14.834 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.770 14.260 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.170 14.883 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.503 13.137 -6.207 1.00 0.00 H new ATOM 801 N THR A 49 14.092 11.625 -8.302 1.00 0.00 N ATOM 802 CA THR A 49 14.832 10.504 -8.885 1.00 0.00 C ATOM 803 C THR A 49 13.894 9.336 -9.181 1.00 0.00 C ATOM 804 O THR A 49 13.552 9.085 -10.336 1.00 0.00 O ATOM 805 CB THR A 49 15.960 10.053 -7.948 1.00 0.00 C ATOM 806 OG1 THR A 49 15.484 9.902 -6.622 1.00 0.00 O ATOM 807 CG2 THR A 49 17.130 11.014 -7.909 1.00 0.00 C ATOM 0 H THR A 49 13.650 11.417 -7.407 1.00 0.00 H new ATOM 0 HA THR A 49 15.274 10.841 -9.822 1.00 0.00 H new ATOM 0 HB THR A 49 16.306 9.102 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.474 8.951 -6.384 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.891 10.634 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.554 11.111 -8.908 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.788 11.990 -7.563 1.00 0.00 H new ATOM 815 N ILE A 50 13.477 8.626 -8.132 1.00 0.00 N ATOM 816 CA ILE A 50 12.574 7.493 -8.294 1.00 0.00 C ATOM 817 C ILE A 50 11.139 7.895 -7.941 1.00 0.00 C ATOM 818 O ILE A 50 10.368 8.266 -8.824 1.00 0.00 O ATOM 819 CB ILE A 50 13.009 6.277 -7.441 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.438 5.859 -7.794 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.053 5.110 -7.648 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.057 4.920 -6.782 1.00 0.00 C ATOM 0 H ILE A 50 13.750 8.816 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 50 12.617 7.195 -9.342 1.00 0.00 H new ATOM 0 HB ILE A 50 12.980 6.568 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.437 5.378 -8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.059 6.751 -7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.375 4.264 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.047 5.407 -7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.052 4.822 -8.699 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.069 4.664 -7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.090 5.406 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.458 4.012 -6.714 1.00 0.00 H new ATOM 834 N PHE A 51 10.790 7.822 -6.649 1.00 0.00 N ATOM 835 CA PHE A 51 9.452 8.180 -6.178 1.00 0.00 C ATOM 836 C PHE A 51 8.371 7.453 -6.982 1.00 0.00 C ATOM 837 O PHE A 51 7.968 7.900 -8.057 1.00 0.00 O ATOM 838 CB PHE A 51 9.257 9.704 -6.234 1.00 0.00 C ATOM 839 CG PHE A 51 7.816 10.153 -6.181 1.00 0.00 C ATOM 840 CD1 PHE A 51 6.929 9.597 -5.266 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.351 11.131 -7.045 1.00 0.00 C ATOM 842 CE1 PHE A 51 5.610 10.011 -5.220 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.035 11.547 -7.000 1.00 0.00 C ATOM 844 CZ PHE A 51 5.163 10.988 -6.088 1.00 0.00 C ATOM 0 H PHE A 51 11.423 7.516 -5.910 1.00 0.00 H new ATOM 0 HA PHE A 51 9.356 7.861 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.797 10.157 -5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.709 10.082 -7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.274 8.834 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.026 11.574 -7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.930 9.571 -4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.688 12.311 -7.680 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.134 11.314 -6.053 1.00 0.00 H new ATOM 854 N ASP A 52 7.907 6.327 -6.442 1.00 0.00 N ATOM 855 CA ASP A 52 6.875 5.522 -7.090 1.00 0.00 C ATOM 856 C ASP A 52 6.387 4.417 -6.157 1.00 0.00 C ATOM 857 O ASP A 52 7.068 3.408 -5.964 1.00 0.00 O ATOM 858 CB ASP A 52 7.404 4.906 -8.394 1.00 0.00 C ATOM 859 CG ASP A 52 6.292 4.489 -9.345 1.00 0.00 C ATOM 860 OD1 ASP A 52 5.175 4.189 -8.870 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.541 4.460 -10.568 1.00 0.00 O ATOM 0 H ASP A 52 8.233 5.951 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 52 6.038 6.179 -7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.052 5.626 -8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.017 4.037 -8.157 1.00 0.00 H new ATOM 866 N LYS A 53 5.205 4.613 -5.584 1.00 0.00 N ATOM 867 CA LYS A 53 4.623 3.631 -4.675 1.00 0.00 C ATOM 868 C LYS A 53 3.596 2.779 -5.414 1.00 0.00 C ATOM 869 O LYS A 53 2.566 3.288 -5.857 1.00 0.00 O ATOM 870 CB LYS A 53 3.972 4.333 -3.482 1.00 0.00 C ATOM 871 CG LYS A 53 4.968 4.945 -2.506 1.00 0.00 C ATOM 872 CD LYS A 53 4.679 6.417 -2.259 1.00 0.00 C ATOM 873 CE LYS A 53 5.523 6.971 -1.119 1.00 0.00 C ATOM 874 NZ LYS A 53 4.804 8.030 -0.353 1.00 0.00 N ATOM 0 H LYS A 53 4.631 5.443 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 53 5.416 2.982 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.311 5.118 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.348 3.616 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.932 4.403 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.979 4.833 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.877 6.985 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.622 6.547 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.798 6.160 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.450 7.380 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.491 8.596 0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.289 8.647 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.130 7.587 0.304 1.00 0.00 H new ATOM 888 N VAL A 54 3.884 1.486 -5.559 1.00 0.00 N ATOM 889 CA VAL A 54 2.982 0.580 -6.266 1.00 0.00 C ATOM 890 C VAL A 54 2.650 -0.663 -5.444 1.00 0.00 C ATOM 891 O VAL A 54 3.366 -1.012 -4.503 1.00 0.00 O ATOM 892 CB VAL A 54 3.571 0.144 -7.624 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.674 1.330 -8.572 1.00 0.00 C ATOM 894 CG2 VAL A 54 4.930 -0.521 -7.442 1.00 0.00 C ATOM 0 H VAL A 54 4.730 1.045 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 54 2.062 1.141 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 54 2.895 -0.588 -8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.092 1.000 -9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.682 1.751 -8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.322 2.090 -8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.323 -0.819 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.619 0.181 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.822 -1.402 -6.809 1.00 0.00 H new ATOM 904 N ILE A 55 1.557 -1.328 -5.819 1.00 0.00 N ATOM 905 CA ILE A 55 1.114 -2.538 -5.136 1.00 0.00 C ATOM 906 C ILE A 55 0.994 -3.706 -6.115 1.00 0.00 C ATOM 907 O ILE A 55 1.030 -3.519 -7.332 1.00 0.00 O ATOM 908 CB ILE A 55 -0.232 -2.302 -4.397 1.00 0.00 C ATOM 909 CG1 ILE A 55 -0.068 -2.597 -2.906 1.00 0.00 C ATOM 910 CG2 ILE A 55 -1.367 -3.139 -4.982 1.00 0.00 C ATOM 911 CD1 ILE A 55 -0.998 -1.789 -2.029 1.00 0.00 C ATOM 0 H ILE A 55 0.961 -1.045 -6.597 1.00 0.00 H new ATOM 0 HA ILE A 55 1.868 -2.794 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.502 -1.255 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.246 -3.658 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.962 -2.394 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.287 -2.939 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.507 -2.879 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.118 -4.197 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.829 -2.048 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.805 -0.726 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.032 -2.010 -2.295 1.00 0.00 H new ATOM 923 N TYR A 56 0.855 -4.911 -5.572 1.00 0.00 N ATOM 924 CA TYR A 56 0.735 -6.115 -6.391 1.00 0.00 C ATOM 925 C TYR A 56 -0.395 -7.010 -5.895 1.00 0.00 C ATOM 926 O TYR A 56 -0.494 -7.296 -4.700 1.00 0.00 O ATOM 927 CB TYR A 56 2.056 -6.887 -6.388 1.00 0.00 C ATOM 928 CG TYR A 56 2.246 -7.787 -7.591 1.00 0.00 C ATOM 929 CD1 TYR A 56 2.560 -7.256 -8.837 1.00 0.00 C ATOM 930 CD2 TYR A 56 2.116 -9.165 -7.480 1.00 0.00 C ATOM 931 CE1 TYR A 56 2.742 -8.073 -9.935 1.00 0.00 C ATOM 932 CE2 TYR A 56 2.295 -9.989 -8.573 1.00 0.00 C ATOM 933 CZ TYR A 56 2.606 -9.439 -9.798 1.00 0.00 C ATOM 934 OH TYR A 56 2.789 -10.257 -10.892 1.00 0.00 O ATOM 0 H TYR A 56 0.822 -5.081 -4.567 1.00 0.00 H new ATOM 0 HA TYR A 56 0.501 -5.808 -7.410 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.881 -6.176 -6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.110 -7.492 -5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.663 -6.187 -8.948 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.871 -9.600 -6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.989 -7.645 -10.895 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.192 -11.059 -8.469 1.00 0.00 H new ATOM 0 HH TYR A 56 2.659 -11.191 -10.627 1.00 0.00 H new ATOM 944 N HIS A 57 -1.243 -7.450 -6.821 1.00 0.00 N ATOM 945 CA HIS A 57 -2.369 -8.317 -6.486 1.00 0.00 C ATOM 946 C HIS A 57 -2.401 -9.547 -7.393 1.00 0.00 C ATOM 947 O HIS A 57 -2.782 -9.454 -8.560 1.00 0.00 O ATOM 948 CB HIS A 57 -3.686 -7.544 -6.610 1.00 0.00 C ATOM 949 CG HIS A 57 -3.854 -6.466 -5.581 1.00 0.00 C ATOM 950 ND1 HIS A 57 -4.620 -5.338 -5.787 1.00 0.00 N ATOM 951 CD2 HIS A 57 -3.344 -6.346 -4.333 1.00 0.00 C ATOM 952 CE1 HIS A 57 -4.572 -4.572 -4.713 1.00 0.00 C ATOM 953 NE2 HIS A 57 -3.803 -5.160 -3.814 1.00 0.00 N ATOM 0 H HIS A 57 -1.171 -7.219 -7.812 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.244 -8.652 -5.456 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.742 -7.098 -7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.517 -8.245 -6.528 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.143 -5.128 -6.637 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.695 -7.053 -3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.076 -3.625 -4.590 1.00 0.00 H new ATOM 962 N LEU A 58 -2.002 -10.698 -6.850 1.00 0.00 N ATOM 963 CA LEU A 58 -1.990 -11.944 -7.621 1.00 0.00 C ATOM 964 C LEU A 58 -3.412 -12.425 -7.918 1.00 0.00 C ATOM 965 O LEU A 58 -3.668 -13.001 -8.978 1.00 0.00 O ATOM 966 CB LEU A 58 -1.217 -13.032 -6.869 1.00 0.00 C ATOM 967 CG LEU A 58 0.171 -13.356 -7.432 1.00 0.00 C ATOM 968 CD1 LEU A 58 1.214 -13.348 -6.324 1.00 0.00 C ATOM 969 CD2 LEU A 58 0.154 -14.704 -8.141 1.00 0.00 C ATOM 0 H LEU A 58 -1.685 -10.794 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.491 -11.743 -8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.107 -12.724 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.813 -13.944 -6.869 1.00 0.00 H new ATOM 0 HG LEU A 58 0.437 -12.587 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.193 -13.580 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.243 -12.363 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.954 -14.095 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.147 -14.920 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.133 -15.483 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.564 -14.675 -8.961 1.00 0.00 H new ATOM 1071 N PRO A 65 -1.840 -4.484 -11.648 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.360 -4.066 -10.321 1.00 0.00 C ATOM 1073 C PRO A 65 -1.672 -2.599 -10.019 1.00 0.00 C ATOM 1074 O PRO A 65 -2.092 -1.849 -10.903 1.00 0.00 O ATOM 1075 CB PRO A 65 0.156 -4.284 -10.396 1.00 0.00 C ATOM 1076 CG PRO A 65 0.349 -5.278 -11.490 1.00 0.00 C ATOM 1077 CD PRO A 65 -0.744 -5.013 -12.484 1.00 0.00 C ATOM 0 HA PRO A 65 -1.845 -4.630 -9.524 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.679 -3.352 -10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.548 -4.657 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.331 -5.167 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.290 -6.297 -11.107 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.433 -4.294 -13.242 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.040 -5.921 -13.008 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.464 -2.199 -8.764 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.723 -0.824 -8.342 1.00 0.00 C ATOM 1087 C ASN A 66 -0.477 0.046 -8.494 1.00 0.00 C ATOM 1088 O ASN A 66 0.646 -0.427 -8.313 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.205 -0.796 -6.887 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.368 0.154 -6.678 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -3.212 1.373 -6.763 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.542 -0.402 -6.402 1.00 0.00 N ATOM 0 H ASN A 66 -1.117 -2.808 -8.023 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.503 -0.418 -8.986 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.503 -1.801 -6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.379 -0.502 -6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.362 0.186 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.624 -1.417 -6.342 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.684 1.320 -8.821 1.00 0.00 N ATOM 1100 CA ARG A 67 0.421 2.263 -8.991 1.00 0.00 C ATOM 1101 C ARG A 67 0.041 3.636 -8.445 1.00 0.00 C ATOM 1102 O ARG A 67 -1.068 4.118 -8.676 1.00 0.00 O ATOM 1103 CB ARG A 67 0.825 2.398 -10.469 1.00 0.00 C ATOM 1104 CG ARG A 67 0.222 1.347 -11.393 1.00 0.00 C ATOM 1105 CD ARG A 67 -1.192 1.717 -11.825 1.00 0.00 C ATOM 1106 NE ARG A 67 -1.296 3.114 -12.258 1.00 0.00 N ATOM 1107 CZ ARG A 67 -0.914 3.556 -13.461 1.00 0.00 C ATOM 1108 NH1 ARG A 67 -0.391 2.721 -14.354 1.00 0.00 N ATOM 1109 NH2 ARG A 67 -1.054 4.841 -13.768 1.00 0.00 N ATOM 0 H ARG A 67 -1.608 1.724 -8.974 1.00 0.00 H new ATOM 0 HA ARG A 67 1.271 1.870 -8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.530 3.386 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.911 2.345 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.853 1.233 -12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.206 0.383 -10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.503 1.063 -12.639 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.879 1.544 -10.997 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.684 3.791 -11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.278 1.734 -14.124 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.103 3.068 -15.269 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.452 5.488 -13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.763 5.181 -14.685 1.00 0.00 H new ATOM 1123 N THR A 68 0.969 4.263 -7.724 1.00 0.00 N ATOM 1124 CA THR A 68 0.724 5.584 -7.154 1.00 0.00 C ATOM 1125 C THR A 68 1.877 6.537 -7.465 1.00 0.00 C ATOM 1126 O THR A 68 2.910 6.528 -6.790 1.00 0.00 O ATOM 1127 CB THR A 68 0.510 5.500 -5.637 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.040 4.220 -5.253 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.477 6.520 -5.121 1.00 0.00 C ATOM 0 H THR A 68 1.892 3.879 -7.522 1.00 0.00 H new ATOM 0 HA THR A 68 -0.185 5.974 -7.612 1.00 0.00 H new ATOM 0 HB THR A 68 1.489 5.701 -5.202 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.769 3.569 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.584 6.409 -4.042 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.116 7.523 -5.348 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.444 6.365 -5.600 1.00 0.00 H new ATOM 1137 N PHE A 69 1.678 7.364 -8.492 1.00 0.00 N ATOM 1138 CA PHE A 69 2.676 8.345 -8.910 1.00 0.00 C ATOM 1139 C PHE A 69 2.133 9.759 -8.703 1.00 0.00 C ATOM 1140 O PHE A 69 2.794 10.606 -8.102 1.00 0.00 O ATOM 1141 CB PHE A 69 3.049 8.128 -10.381 1.00 0.00 C ATOM 1142 CG PHE A 69 4.419 8.633 -10.749 1.00 0.00 C ATOM 1143 CD1 PHE A 69 4.693 9.993 -10.781 1.00 0.00 C ATOM 1144 CD2 PHE A 69 5.434 7.745 -11.075 1.00 0.00 C ATOM 1145 CE1 PHE A 69 5.948 10.455 -11.128 1.00 0.00 C ATOM 1146 CE2 PHE A 69 6.691 8.202 -11.424 1.00 0.00 C ATOM 1147 CZ PHE A 69 6.949 9.558 -11.450 1.00 0.00 C ATOM 0 H PHE A 69 0.826 7.372 -9.053 1.00 0.00 H new ATOM 0 HA PHE A 69 3.573 8.219 -8.303 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.994 7.063 -10.605 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.310 8.625 -11.009 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.915 10.699 -10.531 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.239 6.683 -11.056 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.147 11.516 -11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.471 7.499 -11.676 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.931 9.917 -11.721 1.00 0.00 H new ATOM 1157 N THR A 70 0.913 9.997 -9.195 1.00 0.00 N ATOM 1158 CA THR A 70 0.259 11.299 -9.058 1.00 0.00 C ATOM 1159 C THR A 70 -1.263 11.137 -8.923 1.00 0.00 C ATOM 1160 O THR A 70 -2.032 11.966 -9.417 1.00 0.00 O ATOM 1161 CB THR A 70 0.589 12.201 -10.259 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.684 11.444 -11.456 1.00 0.00 O ATOM 1163 CG2 THR A 70 1.885 12.964 -10.098 1.00 0.00 C ATOM 0 H THR A 70 0.358 9.301 -9.693 1.00 0.00 H new ATOM 0 HA THR A 70 0.638 11.770 -8.151 1.00 0.00 H new ATOM 0 HB THR A 70 -0.233 12.915 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.893 12.041 -12.205 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.057 13.580 -10.981 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.824 13.602 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.709 12.260 -9.981 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.688 10.062 -8.252 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.113 9.786 -8.051 1.00 0.00 C ATOM 1173 C ASP A 71 -3.418 9.480 -6.583 1.00 0.00 C ATOM 1174 O ASP A 71 -2.522 9.117 -5.818 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.550 8.606 -8.925 1.00 0.00 C ATOM 1176 CG ASP A 71 -3.742 8.999 -10.375 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -2.734 9.069 -11.110 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -4.901 9.239 -10.778 1.00 0.00 O ATOM 0 H ASP A 71 -1.065 9.368 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.670 10.678 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.803 7.815 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.482 8.196 -8.536 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.699 9.620 -6.171 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.132 9.356 -4.787 1.00 0.00 C ATOM 1185 C PRO A 72 -4.914 7.898 -4.369 1.00 0.00 C ATOM 1186 O PRO A 72 -4.544 7.057 -5.191 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.632 9.688 -4.806 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.028 9.616 -6.239 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.823 10.048 -7.022 1.00 0.00 C ATOM 0 HA PRO A 72 -4.560 9.944 -4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.200 8.979 -4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.821 10.679 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.328 8.604 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.879 10.266 -6.442 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.789 9.574 -8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.815 11.125 -7.188 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.142 7.578 -3.077 1.00 0.00 N ATOM 1198 CA PRO A 73 -4.971 6.214 -2.546 1.00 0.00 C ATOM 1199 C PRO A 73 -5.912 5.203 -3.199 1.00 0.00 C ATOM 1200 O PRO A 73 -6.778 5.572 -3.995 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.305 6.361 -1.057 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.120 7.603 -0.967 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.587 8.517 -2.030 1.00 0.00 C ATOM 0 HA PRO A 73 -3.968 5.834 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.859 5.497 -0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.400 6.438 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.177 7.390 -1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.033 8.058 0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.353 9.199 -2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.765 9.130 -1.661 1.00 0.00 H new ATOM 1211 N PHE A 74 -5.735 3.925 -2.859 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.563 2.861 -3.417 1.00 0.00 C ATOM 1213 C PHE A 74 -6.995 1.866 -2.338 1.00 0.00 C ATOM 1214 O PHE A 74 -6.264 0.929 -2.014 1.00 0.00 O ATOM 1215 CB PHE A 74 -5.806 2.135 -4.532 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.208 2.579 -5.910 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.324 2.037 -6.525 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.473 3.539 -6.586 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.700 2.443 -7.790 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -5.845 3.951 -7.852 1.00 0.00 C ATOM 1221 CZ PHE A 74 -6.959 3.401 -8.453 1.00 0.00 C ATOM 0 H PHE A 74 -5.025 3.604 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.462 3.317 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.736 2.300 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.977 1.063 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.907 1.288 -6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.600 3.970 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.572 2.012 -8.260 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.265 4.701 -8.369 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.251 3.720 -9.442 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.191 2.083 -1.791 1.00 0.00 N ATOM 1232 CA ARG A 75 -8.742 1.221 -0.754 1.00 0.00 C ATOM 1233 C ARG A 75 -10.077 0.617 -1.195 1.00 0.00 C ATOM 1234 O ARG A 75 -11.082 1.321 -1.309 1.00 0.00 O ATOM 1235 CB ARG A 75 -8.917 2.005 0.553 1.00 0.00 C ATOM 1236 CG ARG A 75 -9.828 3.221 0.435 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.098 4.500 0.809 1.00 0.00 C ATOM 1238 NE ARG A 75 -9.842 5.689 0.401 1.00 0.00 N ATOM 1239 CZ ARG A 75 -9.789 6.223 -0.823 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -9.006 5.689 -1.758 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -10.518 7.295 -1.110 1.00 0.00 N ATOM 0 H ARG A 75 -8.800 2.858 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.041 0.404 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.319 1.336 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.937 2.332 0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.202 3.299 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.695 3.092 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.937 4.524 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.115 4.508 0.339 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.440 6.140 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.442 4.867 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.970 6.102 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.118 7.710 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.478 7.704 -2.044 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.075 -0.692 -1.442 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.279 -1.402 -1.872 1.00 0.00 C ATOM 1257 C ILE A 76 -11.447 -2.713 -1.099 1.00 0.00 C ATOM 1258 O ILE A 76 -10.605 -3.610 -1.193 1.00 0.00 O ATOM 1259 CB ILE A 76 -11.249 -1.710 -3.388 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.862 -0.459 -4.186 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -12.601 -2.243 -3.848 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -11.884 0.658 -4.109 1.00 0.00 C ATOM 0 H ILE A 76 -9.250 -1.284 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.124 -0.745 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.496 -2.476 -3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.904 -0.088 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.719 -0.736 -5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.564 -2.455 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.835 -3.158 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.372 -1.497 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.539 1.508 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.838 0.306 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -12.011 0.964 -3.071 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.537 -2.818 -0.337 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.813 -4.021 0.447 1.00 0.00 C ATOM 1276 C GLU A 77 -14.238 -4.522 0.205 1.00 0.00 C ATOM 1277 O GLU A 77 -15.198 -3.752 0.279 1.00 0.00 O ATOM 1278 CB GLU A 77 -12.599 -3.747 1.943 1.00 0.00 C ATOM 1279 CG GLU A 77 -13.491 -2.645 2.503 1.00 0.00 C ATOM 1280 CD GLU A 77 -13.560 -2.646 4.020 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -12.606 -3.130 4.665 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -14.570 -2.159 4.567 1.00 0.00 O ATOM 0 H GLU A 77 -13.241 -2.086 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.118 -4.797 0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.780 -4.666 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.556 -3.475 2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.120 -1.678 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.497 -2.760 2.100 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.368 -5.819 -0.089 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.676 -6.422 -0.346 1.00 0.00 C ATOM 1291 C GLU A 78 -15.670 -7.929 -0.067 1.00 0.00 C ATOM 1292 O GLU A 78 -14.641 -8.501 0.297 1.00 0.00 O ATOM 1293 CB GLU A 78 -16.101 -6.161 -1.795 1.00 0.00 C ATOM 1294 CG GLU A 78 -16.639 -4.757 -2.028 1.00 0.00 C ATOM 1295 CD GLU A 78 -17.571 -4.674 -3.221 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -17.239 -5.253 -4.278 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -18.634 -4.029 -3.100 1.00 0.00 O ATOM 0 H GLU A 78 -13.585 -6.469 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.392 -5.959 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.247 -6.327 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.865 -6.885 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.168 -4.423 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.804 -4.073 -2.177 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.834 -8.562 -0.242 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.983 -10.001 -0.015 1.00 0.00 C ATOM 1306 C GLN A 79 -17.305 -10.726 -1.322 1.00 0.00 C ATOM 1307 O GLN A 79 -18.199 -10.313 -2.062 1.00 0.00 O ATOM 1308 CB GLN A 79 -18.097 -10.274 1.007 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.089 -9.333 2.203 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.341 -8.479 2.286 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -20.327 -8.865 2.913 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.308 -7.310 1.656 1.00 0.00 N ATOM 0 H GLN A 79 -17.691 -8.097 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.037 -10.376 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -19.062 -10.198 0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.004 -11.299 1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.991 -9.917 3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.215 -8.684 2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.470 -7.028 1.147 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.121 -6.694 1.681 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.578 -11.811 -1.598 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.812 -12.572 -2.816 1.00 0.00 C ATOM 1323 C GLY A 80 -15.748 -13.623 -3.073 1.00 0.00 C ATOM 1324 O GLY A 80 -15.411 -14.405 -2.183 1.00 0.00 O ATOM 0 H GLY A 80 -15.834 -12.174 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.786 -13.057 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.851 -11.888 -3.663 1.00 0.00 H new ATOM 1328 N TRP A 81 -15.226 -13.643 -4.301 1.00 0.00 N ATOM 1329 CA TRP A 81 -14.198 -14.609 -4.683 1.00 0.00 C ATOM 1330 C TRP A 81 -12.916 -13.905 -5.130 1.00 0.00 C ATOM 1331 O TRP A 81 -12.872 -13.270 -6.185 1.00 0.00 O ATOM 1332 CB TRP A 81 -14.719 -15.541 -5.792 1.00 0.00 C ATOM 1333 CG TRP A 81 -15.041 -14.848 -7.089 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -16.103 -14.024 -7.344 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -14.299 -14.931 -8.313 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -16.061 -13.587 -8.649 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -14.964 -14.132 -9.264 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -13.132 -15.600 -8.696 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -14.502 -13.989 -10.571 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -12.676 -15.458 -9.995 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -13.359 -14.656 -10.917 1.00 0.00 C ATOM 0 H TRP A 81 -15.499 -13.002 -5.046 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.960 -15.211 -3.806 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.972 -16.312 -5.982 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -15.615 -16.047 -5.433 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.864 -13.755 -6.626 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -16.736 -12.960 -9.087 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -12.596 -16.217 -7.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -15.028 -13.373 -11.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.779 -15.974 -10.302 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -12.976 -14.562 -11.922 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.871 -14.022 -4.312 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.598 -13.399 -4.632 1.00 0.00 C ATOM 1354 C GLY A 82 -9.604 -13.492 -3.489 1.00 0.00 C ATOM 1355 O GLY A 82 -9.663 -12.704 -2.545 1.00 0.00 O ATOM 0 H GLY A 82 -11.884 -14.538 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.176 -13.876 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.762 -12.351 -4.882 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.693 -14.463 -3.571 1.00 0.00 N ATOM 1360 CA GLY A 83 -7.706 -14.637 -2.523 1.00 0.00 C ATOM 1361 C GLY A 83 -6.382 -15.185 -3.031 1.00 0.00 C ATOM 1362 O GLY A 83 -6.287 -16.359 -3.388 1.00 0.00 O ATOM 0 H GLY A 83 -8.624 -15.127 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.531 -13.678 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.105 -15.312 -1.766 1.00 0.00 H new ATOM 1366 N PHE A 84 -5.358 -14.330 -3.050 1.00 0.00 N ATOM 1367 CA PHE A 84 -4.022 -14.723 -3.504 1.00 0.00 C ATOM 1368 C PHE A 84 -2.950 -13.810 -2.888 1.00 0.00 C ATOM 1369 O PHE A 84 -3.275 -12.796 -2.267 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.943 -14.668 -5.035 1.00 0.00 C ATOM 1371 CG PHE A 84 -4.315 -15.960 -5.717 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -3.427 -17.027 -5.752 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.550 -16.103 -6.329 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -3.767 -18.208 -6.384 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.894 -17.284 -6.962 1.00 0.00 C ATOM 1376 CZ PHE A 84 -5.001 -18.336 -6.989 1.00 0.00 C ATOM 0 H PHE A 84 -5.429 -13.356 -2.755 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.836 -15.746 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.602 -13.877 -5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.929 -14.395 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.460 -16.933 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.252 -15.283 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.067 -19.031 -6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.860 -17.383 -7.434 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.268 -19.259 -7.483 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.655 -14.164 -3.041 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.539 -13.372 -2.492 1.00 0.00 C ATOM 1388 C PRO A 85 -0.508 -11.938 -3.029 1.00 0.00 C ATOM 1389 O PRO A 85 -1.218 -11.602 -3.980 1.00 0.00 O ATOM 1390 CB PRO A 85 0.710 -14.139 -2.947 1.00 0.00 C ATOM 1391 CG PRO A 85 0.230 -15.518 -3.245 1.00 0.00 C ATOM 1392 CD PRO A 85 -1.176 -15.364 -3.750 1.00 0.00 C ATOM 0 HA PRO A 85 -0.621 -13.265 -1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.157 -13.678 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.473 -14.147 -2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.863 -15.999 -3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.258 -16.143 -2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.204 -15.231 -4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.785 -16.238 -3.520 1.00 0.00 H new ATOM 1400 N LEU A 86 0.317 -11.094 -2.407 1.00 0.00 N ATOM 1401 CA LEU A 86 0.449 -9.693 -2.805 1.00 0.00 C ATOM 1402 C LEU A 86 1.894 -9.218 -2.641 1.00 0.00 C ATOM 1403 O LEU A 86 2.731 -9.934 -2.087 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.483 -8.807 -1.966 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.889 -9.365 -1.727 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.892 -10.314 -0.541 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.883 -8.233 -1.506 1.00 0.00 C ATOM 0 H LEU A 86 0.908 -11.360 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 86 0.168 -9.613 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.013 -8.630 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.575 -7.839 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.192 -9.921 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.900 -10.700 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.212 -11.143 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.567 -9.781 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.876 -8.649 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.582 -7.649 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.903 -7.590 -2.386 1.00 0.00 H new ATOM 1419 N ASP A 87 2.177 -8.005 -3.116 1.00 0.00 N ATOM 1420 CA ASP A 87 3.520 -7.437 -3.014 1.00 0.00 C ATOM 1421 C ASP A 87 3.486 -5.915 -3.158 1.00 0.00 C ATOM 1422 O ASP A 87 3.102 -5.388 -4.200 1.00 0.00 O ATOM 1423 CB ASP A 87 4.438 -8.046 -4.076 1.00 0.00 C ATOM 1424 CG ASP A 87 5.891 -7.665 -3.870 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.557 -8.299 -3.024 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.362 -6.731 -4.552 1.00 0.00 O ATOM 0 H ASP A 87 1.496 -7.399 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 87 3.913 -7.677 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.343 -9.132 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.115 -7.717 -5.064 1.00 0.00 H new ATOM 1431 N ILE A 88 3.887 -5.216 -2.097 1.00 0.00 N ATOM 1432 CA ILE A 88 3.897 -3.753 -2.096 1.00 0.00 C ATOM 1433 C ILE A 88 5.324 -3.212 -2.155 1.00 0.00 C ATOM 1434 O ILE A 88 6.190 -3.641 -1.391 1.00 0.00 O ATOM 1435 CB ILE A 88 3.196 -3.190 -0.839 1.00 0.00 C ATOM 1436 CG1 ILE A 88 1.842 -3.879 -0.628 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.020 -1.681 -0.952 1.00 0.00 C ATOM 1438 CD1 ILE A 88 1.932 -5.172 0.157 1.00 0.00 C ATOM 0 H ILE A 88 4.209 -5.639 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 88 3.353 -3.430 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 88 3.825 -3.394 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.173 -3.194 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.394 -4.085 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.525 -1.304 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.997 -1.207 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.413 -1.450 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.936 -5.601 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.574 -5.875 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.350 -4.971 1.143 1.00 0.00 H new ATOM 1450 N SER A 89 5.561 -2.257 -3.061 1.00 0.00 N ATOM 1451 CA SER A 89 6.880 -1.648 -3.210 1.00 0.00 C ATOM 1452 C SER A 89 6.776 -0.127 -3.162 1.00 0.00 C ATOM 1453 O SER A 89 6.088 0.488 -3.979 1.00 0.00 O ATOM 1454 CB SER A 89 7.539 -2.097 -4.517 1.00 0.00 C ATOM 1455 OG SER A 89 6.819 -1.630 -5.644 1.00 0.00 O ATOM 0 H SER A 89 4.855 -1.892 -3.700 1.00 0.00 H new ATOM 0 HA SER A 89 7.504 -1.979 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.563 -1.725 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.594 -3.185 -4.544 1.00 0.00 H new ATOM 0 HG SER A 89 6.655 -2.375 -6.259 1.00 0.00 H new ATOM 1461 N VAL A 90 7.450 0.471 -2.183 1.00 0.00 N ATOM 1462 CA VAL A 90 7.422 1.918 -2.001 1.00 0.00 C ATOM 1463 C VAL A 90 8.737 2.568 -2.431 1.00 0.00 C ATOM 1464 O VAL A 90 9.820 2.082 -2.099 1.00 0.00 O ATOM 1465 CB VAL A 90 7.137 2.277 -0.528 1.00 0.00 C ATOM 1466 CG1 VAL A 90 6.991 3.781 -0.351 1.00 0.00 C ATOM 1467 CG2 VAL A 90 5.893 1.550 -0.029 1.00 0.00 C ATOM 0 H VAL A 90 8.024 -0.027 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 90 6.622 2.303 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 90 7.988 1.950 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.791 4.006 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.913 4.275 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.165 4.141 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.709 1.816 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.035 1.840 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.045 0.473 -0.107 1.00 0.00 H new ATOM 1477 N PHE A 91 8.632 3.679 -3.164 1.00 0.00 N ATOM 1478 CA PHE A 91 9.806 4.416 -3.632 1.00 0.00 C ATOM 1479 C PHE A 91 9.626 5.919 -3.409 1.00 0.00 C ATOM 1480 O PHE A 91 8.502 6.425 -3.417 1.00 0.00 O ATOM 1481 CB PHE A 91 10.066 4.130 -5.112 1.00 0.00 C ATOM 1482 CG PHE A 91 10.612 2.752 -5.367 1.00 0.00 C ATOM 1483 CD1 PHE A 91 11.960 2.482 -5.185 1.00 0.00 C ATOM 1484 CD2 PHE A 91 9.777 1.728 -5.785 1.00 0.00 C ATOM 1485 CE1 PHE A 91 12.462 1.216 -5.415 1.00 0.00 C ATOM 1486 CE2 PHE A 91 10.276 0.461 -6.018 1.00 0.00 C ATOM 1487 CZ PHE A 91 11.620 0.205 -5.832 1.00 0.00 C ATOM 0 H PHE A 91 7.742 4.088 -3.447 1.00 0.00 H new ATOM 0 HA PHE A 91 10.668 4.081 -3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.136 4.253 -5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 91 10.768 4.868 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 91 12.624 3.269 -4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.725 1.923 -5.930 1.00 0.00 H new ATOM 0 HE1 PHE A 91 13.513 1.017 -5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.616 -0.328 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 91 12.012 -0.785 -6.013 1.00 0.00 H new ATOM 1497 N LEU A 92 10.739 6.625 -3.197 1.00 0.00 N ATOM 1498 CA LEU A 92 10.701 8.067 -2.952 1.00 0.00 C ATOM 1499 C LEU A 92 11.885 8.783 -3.604 1.00 0.00 C ATOM 1500 O LEU A 92 11.710 9.537 -4.561 1.00 0.00 O ATOM 1501 CB LEU A 92 10.693 8.339 -1.444 1.00 0.00 C ATOM 1502 CG LEU A 92 10.744 9.816 -1.045 1.00 0.00 C ATOM 1503 CD1 LEU A 92 9.355 10.433 -1.112 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.333 9.972 0.349 1.00 0.00 C ATOM 0 H LEU A 92 11.676 6.222 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 92 9.788 8.458 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.794 7.895 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.545 7.829 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 92 11.388 10.342 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.409 11.483 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.970 10.354 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.689 9.905 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.361 11.028 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.715 9.433 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.345 9.567 0.364 1.00 0.00 H new ATOM 1516 N LEU A 93 13.087 8.558 -3.075 1.00 0.00 N ATOM 1517 CA LEU A 93 14.287 9.200 -3.606 1.00 0.00 C ATOM 1518 C LEU A 93 15.391 8.173 -3.876 1.00 0.00 C ATOM 1519 O LEU A 93 15.636 7.806 -5.024 1.00 0.00 O ATOM 1520 CB LEU A 93 14.789 10.276 -2.626 1.00 0.00 C ATOM 1521 CG LEU A 93 15.222 11.605 -3.255 1.00 0.00 C ATOM 1522 CD1 LEU A 93 16.473 11.421 -4.106 1.00 0.00 C ATOM 1523 CD2 LEU A 93 14.088 12.207 -4.075 1.00 0.00 C ATOM 0 H LEU A 93 13.255 7.938 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 93 14.028 9.673 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.999 10.479 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.633 9.868 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 93 15.464 12.300 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 93 16.761 12.378 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 93 17.285 11.047 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.269 10.706 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 93 14.416 13.150 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.807 11.516 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.228 12.386 -3.430 1.00 0.00 H new ATOM 1535 N GLU A 94 16.055 7.720 -2.811 1.00 0.00 N ATOM 1536 CA GLU A 94 17.135 6.742 -2.936 1.00 0.00 C ATOM 1537 C GLU A 94 17.039 5.667 -1.852 1.00 0.00 C ATOM 1538 O GLU A 94 16.960 4.479 -2.157 1.00 0.00 O ATOM 1539 CB GLU A 94 18.503 7.434 -2.876 1.00 0.00 C ATOM 1540 CG GLU A 94 18.620 8.502 -1.794 1.00 0.00 C ATOM 1541 CD GLU A 94 19.707 9.517 -2.092 1.00 0.00 C ATOM 1542 OE1 GLU A 94 20.872 9.102 -2.280 1.00 0.00 O ATOM 1543 OE2 GLU A 94 19.396 10.725 -2.134 1.00 0.00 O ATOM 0 H GLU A 94 15.863 8.015 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 94 17.030 6.256 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.272 6.679 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.709 7.890 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.665 9.017 -1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.827 8.023 -0.837 1.00 0.00 H new ATOM 1550 N LYS A 95 17.054 6.092 -0.585 1.00 0.00 N ATOM 1551 CA LYS A 95 16.969 5.160 0.538 1.00 0.00 C ATOM 1552 C LYS A 95 16.270 5.790 1.748 1.00 0.00 C ATOM 1553 O LYS A 95 16.513 5.392 2.889 1.00 0.00 O ATOM 1554 CB LYS A 95 18.372 4.677 0.931 1.00 0.00 C ATOM 1555 CG LYS A 95 19.283 5.780 1.454 1.00 0.00 C ATOM 1556 CD LYS A 95 20.285 6.222 0.399 1.00 0.00 C ATOM 1557 CE LYS A 95 20.940 7.545 0.767 1.00 0.00 C ATOM 1558 NZ LYS A 95 22.401 7.396 1.024 1.00 0.00 N ATOM 0 H LYS A 95 17.124 7.073 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 95 16.370 4.308 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.279 3.905 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.841 4.213 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 95 18.681 6.633 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.815 5.426 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 95 21.052 5.456 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 95 19.782 6.320 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 95 20.786 8.262 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.456 7.954 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 22.806 8.321 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 22.549 6.732 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 22.868 7.031 0.170 1.00 0.00 H new ATOM 1572 N ALA A 96 15.392 6.760 1.493 1.00 0.00 N ATOM 1573 CA ALA A 96 14.652 7.426 2.561 1.00 0.00 C ATOM 1574 C ALA A 96 13.490 6.557 3.036 1.00 0.00 C ATOM 1575 O ALA A 96 13.185 6.505 4.230 1.00 0.00 O ATOM 1576 CB ALA A 96 14.147 8.782 2.090 1.00 0.00 C ATOM 0 H ALA A 96 15.177 7.101 0.556 1.00 0.00 H new ATOM 0 HA ALA A 96 15.328 7.581 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.597 9.266 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.993 9.406 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.488 8.647 1.232 1.00 0.00 H new ATOM 1582 N GLY A 97 12.853 5.872 2.088 1.00 0.00 N ATOM 1583 CA GLY A 97 11.735 4.999 2.405 1.00 0.00 C ATOM 1584 C GLY A 97 11.459 4.007 1.289 1.00 0.00 C ATOM 1585 O GLY A 97 10.305 3.700 0.989 1.00 0.00 O ATOM 0 H GLY A 97 13.095 5.907 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.946 4.458 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.844 5.601 2.585 1.00 0.00 H new ATOM 1589 N GLU A 98 12.532 3.516 0.667 1.00 0.00 N ATOM 1590 CA GLU A 98 12.425 2.563 -0.433 1.00 0.00 C ATOM 1591 C GLU A 98 12.434 1.132 0.096 1.00 0.00 C ATOM 1592 O GLU A 98 13.498 0.537 0.289 1.00 0.00 O ATOM 1593 CB GLU A 98 13.576 2.774 -1.426 1.00 0.00 C ATOM 1594 CG GLU A 98 13.441 4.036 -2.276 1.00 0.00 C ATOM 1595 CD GLU A 98 13.181 5.288 -1.456 1.00 0.00 C ATOM 1596 OE1 GLU A 98 12.008 5.548 -1.127 1.00 0.00 O ATOM 1597 OE2 GLU A 98 14.147 6.007 -1.141 1.00 0.00 O ATOM 0 H GLU A 98 13.490 3.766 0.910 1.00 0.00 H new ATOM 0 HA GLU A 98 11.480 2.731 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.515 2.819 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.636 1.909 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.353 4.174 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.627 3.901 -2.988 1.00 0.00 H new ATOM 1604 N ARG A 99 11.242 0.590 0.346 1.00 0.00 N ATOM 1605 CA ARG A 99 11.109 -0.766 0.867 1.00 0.00 C ATOM 1606 C ARG A 99 9.912 -1.485 0.247 1.00 0.00 C ATOM 1607 O ARG A 99 8.872 -0.873 -0.005 1.00 0.00 O ATOM 1608 CB ARG A 99 10.958 -0.730 2.390 1.00 0.00 C ATOM 1609 CG ARG A 99 11.945 -1.622 3.126 1.00 0.00 C ATOM 1610 CD ARG A 99 12.522 -0.922 4.346 1.00 0.00 C ATOM 1611 NE ARG A 99 13.657 -0.069 4.004 1.00 0.00 N ATOM 1612 CZ ARG A 99 14.898 -0.521 3.799 1.00 0.00 C ATOM 1613 NH1 ARG A 99 15.162 -1.822 3.874 1.00 0.00 N ATOM 1614 NH2 ARG A 99 15.876 0.330 3.511 1.00 0.00 N ATOM 0 H ARG A 99 10.356 1.071 0.195 1.00 0.00 H new ATOM 0 HA ARG A 99 12.012 -1.317 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.084 0.297 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.944 -1.032 2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.447 -2.542 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.753 -1.907 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.746 -0.320 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.836 -1.668 5.076 1.00 0.00 H new ATOM 0 HE ARG A 99 13.492 0.934 3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.415 -2.482 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.111 -2.160 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.680 1.329 3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.823 -0.015 3.355 1.00 0.00 H new ATOM 1628 N LYS A 100 10.065 -2.789 0.023 1.00 0.00 N ATOM 1629 CA LYS A 100 8.998 -3.604 -0.550 1.00 0.00 C ATOM 1630 C LYS A 100 8.836 -4.900 0.240 1.00 0.00 C ATOM 1631 O LYS A 100 9.815 -5.597 0.505 1.00 0.00 O ATOM 1632 CB LYS A 100 9.280 -3.916 -2.024 1.00 0.00 C ATOM 1633 CG LYS A 100 10.568 -4.690 -2.260 1.00 0.00 C ATOM 1634 CD LYS A 100 11.434 -4.023 -3.315 1.00 0.00 C ATOM 1635 CE LYS A 100 12.915 -4.207 -3.021 1.00 0.00 C ATOM 1636 NZ LYS A 100 13.461 -5.450 -3.637 1.00 0.00 N ATOM 0 H LYS A 100 10.921 -3.304 0.231 1.00 0.00 H new ATOM 0 HA LYS A 100 8.069 -3.036 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.445 -4.488 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.324 -2.980 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.124 -4.766 -1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.330 -5.707 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.202 -4.441 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.200 -2.959 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.468 -3.345 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.068 -4.240 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.473 -5.534 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.952 -6.276 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.340 -5.408 -4.669 1.00 0.00 H new ATOM 1650 N ILE A 101 7.599 -5.210 0.623 1.00 0.00 N ATOM 1651 CA ILE A 101 7.317 -6.419 1.393 1.00 0.00 C ATOM 1652 C ILE A 101 6.110 -7.172 0.833 1.00 0.00 C ATOM 1653 O ILE A 101 5.066 -6.575 0.567 1.00 0.00 O ATOM 1654 CB ILE A 101 7.051 -6.091 2.879 1.00 0.00 C ATOM 1655 CG1 ILE A 101 8.140 -5.169 3.434 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.967 -7.371 3.700 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.718 -3.718 3.519 1.00 0.00 C ATOM 0 H ILE A 101 6.778 -4.642 0.413 1.00 0.00 H new ATOM 0 HA ILE A 101 8.203 -7.050 1.314 1.00 0.00 H new ATOM 0 HB ILE A 101 6.095 -5.571 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.426 -5.515 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.026 -5.245 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.779 -7.122 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.154 -7.992 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.907 -7.917 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.539 -3.123 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.460 -3.355 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.851 -3.629 4.174 1.00 0.00 H new ATOM 1669 N PRO A 102 6.238 -8.504 0.658 1.00 0.00 N ATOM 1670 CA PRO A 102 5.154 -9.341 0.145 1.00 0.00 C ATOM 1671 C PRO A 102 4.133 -9.681 1.230 1.00 0.00 C ATOM 1672 O PRO A 102 4.493 -9.884 2.392 1.00 0.00 O ATOM 1673 CB PRO A 102 5.886 -10.595 -0.325 1.00 0.00 C ATOM 1674 CG PRO A 102 7.059 -10.708 0.587 1.00 0.00 C ATOM 1675 CD PRO A 102 7.449 -9.298 0.956 1.00 0.00 C ATOM 0 HA PRO A 102 4.578 -8.849 -0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.247 -11.475 -0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.199 -10.505 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 102 6.806 -11.286 1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 102 7.884 -11.223 0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.727 -9.223 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.305 -8.955 0.374 1.00 0.00 H new ATOM 1683 N HIS A 103 2.860 -9.738 0.846 1.00 0.00 N ATOM 1684 CA HIS A 103 1.787 -10.048 1.787 1.00 0.00 C ATOM 1685 C HIS A 103 0.927 -11.202 1.276 1.00 0.00 C ATOM 1686 O HIS A 103 1.077 -11.646 0.137 1.00 0.00 O ATOM 1687 CB HIS A 103 0.916 -8.808 2.018 1.00 0.00 C ATOM 1688 CG HIS A 103 1.399 -7.918 3.128 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.670 -7.991 3.663 1.00 0.00 N ATOM 1690 CD2 HIS A 103 0.767 -6.928 3.803 1.00 0.00 C ATOM 1691 CE1 HIS A 103 2.796 -7.086 4.616 1.00 0.00 C ATOM 1692 NE2 HIS A 103 1.657 -6.428 4.721 1.00 0.00 N ATOM 0 H HIS A 103 2.546 -9.574 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 103 2.239 -10.351 2.731 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.874 -8.230 1.095 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.102 -9.128 2.240 1.00 0.00 H new ATOM 0 HD1 HIS A 103 3.398 -8.642 3.368 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -0.248 -6.594 3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.682 -6.913 5.209 1.00 0.00 H new ATOM 1701 N ASP A 104 0.020 -11.682 2.128 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.870 -12.782 1.765 1.00 0.00 C ATOM 1703 C ASP A 104 -2.330 -12.364 1.912 1.00 0.00 C ATOM 1704 O ASP A 104 -2.693 -11.664 2.858 1.00 0.00 O ATOM 1705 CB ASP A 104 -0.592 -14.008 2.635 1.00 0.00 C ATOM 1706 CG ASP A 104 0.585 -14.824 2.131 1.00 0.00 C ATOM 1707 OD1 ASP A 104 0.581 -15.200 0.940 1.00 0.00 O ATOM 1708 OD2 ASP A 104 1.507 -15.089 2.930 1.00 0.00 O ATOM 0 H ASP A 104 -0.116 -11.325 3.074 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.681 -13.039 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.396 -13.687 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.481 -14.638 2.664 1.00 0.00 H new ATOM 1713 N LEU A 105 -3.165 -12.794 0.968 1.00 0.00 N ATOM 1714 CA LEU A 105 -4.584 -12.463 0.993 1.00 0.00 C ATOM 1715 C LEU A 105 -5.424 -13.668 0.569 1.00 0.00 C ATOM 1716 O LEU A 105 -6.016 -13.675 -0.508 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.853 -11.256 0.081 1.00 0.00 C ATOM 1718 CG LEU A 105 -6.309 -10.786 -0.004 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.786 -10.249 1.337 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.459 -9.729 -1.089 1.00 0.00 C ATOM 0 H LEU A 105 -2.881 -13.372 0.177 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.870 -12.200 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.243 -10.422 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.513 -11.503 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.931 -11.643 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.822 -9.922 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.715 -11.034 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.163 -9.405 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.498 -9.404 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.822 -8.875 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.164 -10.150 -2.050 1.00 0.00 H new ATOM 1732 N ASN A 106 -5.468 -14.692 1.427 1.00 0.00 N ATOM 1733 CA ASN A 106 -6.235 -15.908 1.145 1.00 0.00 C ATOM 1734 C ASN A 106 -6.222 -16.862 2.347 1.00 0.00 C ATOM 1735 O ASN A 106 -6.058 -18.073 2.190 1.00 0.00 O ATOM 1736 CB ASN A 106 -5.673 -16.615 -0.098 1.00 0.00 C ATOM 1737 CG ASN A 106 -6.543 -17.770 -0.569 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -6.041 -18.853 -0.873 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -7.854 -17.548 -0.640 1.00 0.00 N ATOM 0 H ASN A 106 -4.981 -14.702 2.323 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.268 -15.618 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.571 -15.891 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.673 -16.988 0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.480 -18.289 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.232 -16.637 -0.379 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.392 -16.307 3.550 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.392 -17.115 4.768 1.00 0.00 C ATOM 1748 C PHE A 107 -7.434 -16.614 5.773 1.00 0.00 C ATOM 1749 O PHE A 107 -7.578 -15.408 5.981 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.998 -17.098 5.405 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.924 -17.673 4.519 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -3.675 -19.036 4.501 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -3.166 -16.847 3.702 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -2.690 -19.564 3.686 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -2.181 -17.370 2.887 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.944 -18.729 2.877 1.00 0.00 C ATOM 0 H PHE A 107 -6.530 -15.308 3.704 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.655 -18.137 4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.736 -16.071 5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.027 -17.660 6.338 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.257 -19.693 5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.348 -15.782 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.504 -20.628 3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.597 -16.715 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.176 -19.139 2.238 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.155 -17.557 6.395 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.184 -17.233 7.388 1.00 0.00 C ATOM 1768 C LEU A 108 -8.643 -16.276 8.451 1.00 0.00 C ATOM 1769 O LEU A 108 -7.687 -16.597 9.157 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.695 -18.513 8.065 1.00 0.00 C ATOM 1771 CG LEU A 108 -10.938 -19.141 7.432 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.541 -20.158 6.373 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -11.809 -19.790 8.500 1.00 0.00 C ATOM 0 H LEU A 108 -8.042 -18.556 6.225 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.007 -16.745 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.893 -19.251 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.914 -18.289 9.109 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.516 -18.353 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.438 -20.595 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.959 -19.665 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.941 -20.945 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.689 -20.232 8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.240 -20.567 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.122 -19.036 9.222 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.266 -15.101 8.553 1.00 0.00 N ATOM 1786 CA GLN A 109 -8.859 -14.083 9.524 1.00 0.00 C ATOM 1787 C GLN A 109 -7.400 -13.671 9.298 1.00 0.00 C ATOM 1788 O GLN A 109 -6.493 -14.138 9.990 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.062 -14.597 10.958 1.00 0.00 C ATOM 1790 CG GLN A 109 -9.995 -13.727 11.792 1.00 0.00 C ATOM 1791 CD GLN A 109 -10.495 -14.433 13.040 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -11.656 -14.834 13.116 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -9.621 -14.586 14.029 1.00 0.00 N ATOM 0 H GLN A 109 -10.059 -14.829 7.972 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.486 -13.203 9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.462 -15.610 10.919 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.093 -14.656 11.454 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.473 -12.814 12.080 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.848 -13.428 11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.668 -14.239 13.925 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -9.903 -15.051 14.892 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.189 -12.790 8.321 1.00 0.00 N ATOM 1803 CA GLU A 110 -5.853 -12.308 7.990 1.00 0.00 C ATOM 1804 C GLU A 110 -5.703 -10.840 8.359 1.00 0.00 C ATOM 1805 O GLU A 110 -6.585 -10.026 8.073 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.565 -12.487 6.496 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.135 -12.140 6.102 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.245 -13.364 6.024 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -2.760 -13.814 7.082 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.036 -13.874 4.904 1.00 0.00 O ATOM 0 H GLU A 110 -7.931 -12.395 7.744 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.138 -12.896 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.769 -13.521 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.252 -11.862 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.139 -11.635 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.721 -11.439 6.827 1.00 0.00 H new ATOM 1817 N SER A 111 -4.579 -10.514 8.984 1.00 0.00 N ATOM 1818 CA SER A 111 -4.285 -9.147 9.395 1.00 0.00 C ATOM 1819 C SER A 111 -2.864 -8.769 8.979 1.00 0.00 C ATOM 1820 O SER A 111 -1.966 -8.646 9.814 1.00 0.00 O ATOM 1821 CB SER A 111 -4.474 -8.998 10.910 1.00 0.00 C ATOM 1822 OG SER A 111 -3.539 -9.784 11.634 1.00 0.00 O ATOM 0 H SER A 111 -3.849 -11.186 9.219 1.00 0.00 H new ATOM 0 HA SER A 111 -4.978 -8.467 8.899 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.363 -7.950 11.190 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.487 -9.295 11.182 1.00 0.00 H new ATOM 0 HG SER A 111 -2.633 -9.593 11.313 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.675 -8.590 7.672 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.376 -8.232 7.122 1.00 0.00 C ATOM 1830 C TYR A 112 -1.365 -6.772 6.694 1.00 0.00 C ATOM 1831 O TYR A 112 -2.152 -6.360 5.844 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.041 -9.133 5.930 1.00 0.00 C ATOM 1833 CG TYR A 112 0.026 -10.163 6.230 1.00 0.00 C ATOM 1834 CD1 TYR A 112 1.371 -9.815 6.234 1.00 0.00 C ATOM 1835 CD2 TYR A 112 -0.312 -11.482 6.505 1.00 0.00 C ATOM 1836 CE1 TYR A 112 2.348 -10.752 6.502 1.00 0.00 C ATOM 1837 CE2 TYR A 112 0.662 -12.425 6.777 1.00 0.00 C ATOM 1838 CZ TYR A 112 1.988 -12.054 6.774 1.00 0.00 C ATOM 1839 OH TYR A 112 2.961 -12.989 7.034 1.00 0.00 O ATOM 0 H TYR A 112 -3.412 -8.689 6.974 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.621 -8.374 7.895 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.947 -9.645 5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.711 -8.512 5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 112 1.657 -8.795 6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.351 -11.775 6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.390 -10.466 6.499 1.00 0.00 H new ATOM 0 HE2 TYR A 112 0.384 -13.447 6.991 1.00 0.00 H new ATOM 0 HH TYR A 112 2.542 -13.858 7.207 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.478 -5.993 7.301 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.380 -4.570 6.992 1.00 0.00 C ATOM 1851 C GLU A 113 0.995 -3.998 7.353 1.00 0.00 C ATOM 1852 O GLU A 113 1.709 -4.551 8.190 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.494 -3.817 7.724 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.181 -3.484 9.178 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.352 -3.762 10.101 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.277 -2.925 10.153 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -2.346 -4.819 10.765 1.00 0.00 O ATOM 0 H GLU A 113 0.182 -6.320 8.007 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.499 -4.442 5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.702 -2.890 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.404 -4.416 7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.319 -4.067 9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.903 -2.433 9.255 1.00 0.00 H new ATOM 1864 N VAL A 114 1.358 -2.887 6.704 1.00 0.00 N ATOM 1865 CA VAL A 114 2.647 -2.233 6.945 1.00 0.00 C ATOM 1866 C VAL A 114 2.510 -0.712 6.971 1.00 0.00 C ATOM 1867 O VAL A 114 1.626 -0.143 6.326 1.00 0.00 O ATOM 1868 CB VAL A 114 3.693 -2.606 5.869 1.00 0.00 C ATOM 1869 CG1 VAL A 114 5.098 -2.268 6.350 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.597 -4.074 5.494 1.00 0.00 C ATOM 0 H VAL A 114 0.776 -2.422 6.007 1.00 0.00 H new ATOM 0 HA VAL A 114 2.985 -2.589 7.918 1.00 0.00 H new ATOM 0 HB VAL A 114 3.480 -2.018 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.821 -2.537 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 114 5.166 -1.199 6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.314 -2.825 7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.345 -4.305 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.774 -4.688 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.603 -4.284 5.099 1.00 0.00 H new ATOM 1880 N GLU A 115 3.409 -0.063 7.712 1.00 0.00 N ATOM 1881 CA GLU A 115 3.418 1.393 7.822 1.00 0.00 C ATOM 1882 C GLU A 115 4.848 1.929 7.756 1.00 0.00 C ATOM 1883 O GLU A 115 5.635 1.745 8.689 1.00 0.00 O ATOM 1884 CB GLU A 115 2.753 1.840 9.128 1.00 0.00 C ATOM 1885 CG GLU A 115 1.415 1.170 9.400 1.00 0.00 C ATOM 1886 CD GLU A 115 0.591 1.914 10.434 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.008 1.949 11.611 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.469 2.464 10.065 1.00 0.00 O ATOM 0 H GLU A 115 4.143 -0.527 8.247 1.00 0.00 H new ATOM 0 HA GLU A 115 2.852 1.798 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.428 1.631 9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.608 2.920 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.850 1.103 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.587 0.150 9.743 1.00 0.00 H new ATOM 1895 N HIS A 116 5.179 2.590 6.647 1.00 0.00 N ATOM 1896 CA HIS A 116 6.518 3.150 6.453 1.00 0.00 C ATOM 1897 C HIS A 116 6.475 4.680 6.428 1.00 0.00 C ATOM 1898 O HIS A 116 5.756 5.278 5.625 1.00 0.00 O ATOM 1899 CB HIS A 116 7.128 2.628 5.148 1.00 0.00 C ATOM 1900 CG HIS A 116 7.922 1.366 5.310 1.00 0.00 C ATOM 1901 ND1 HIS A 116 8.689 1.090 6.426 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.067 0.303 4.484 1.00 0.00 C ATOM 1903 CE1 HIS A 116 9.271 -0.086 6.276 1.00 0.00 C ATOM 1904 NE2 HIS A 116 8.909 -0.583 5.107 1.00 0.00 N ATOM 0 H HIS A 116 4.539 2.751 5.869 1.00 0.00 H new ATOM 0 HA HIS A 116 7.139 2.835 7.292 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.328 2.452 4.429 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.772 3.399 4.726 1.00 0.00 H new ATOM 0 HD1 HIS A 116 8.790 1.699 7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.606 0.176 3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.930 -0.560 6.988 1.00 0.00 H new ATOM 1913 N VAL A 117 7.255 5.301 7.312 1.00 0.00 N ATOM 1914 CA VAL A 117 7.318 6.761 7.399 1.00 0.00 C ATOM 1915 C VAL A 117 8.595 7.304 6.755 1.00 0.00 C ATOM 1916 O VAL A 117 9.643 6.655 6.791 1.00 0.00 O ATOM 1917 CB VAL A 117 7.249 7.249 8.863 1.00 0.00 C ATOM 1918 CG1 VAL A 117 5.886 6.945 9.467 1.00 0.00 C ATOM 1919 CG2 VAL A 117 8.360 6.622 9.698 1.00 0.00 C ATOM 0 H VAL A 117 7.854 4.815 7.980 1.00 0.00 H new ATOM 0 HA VAL A 117 6.451 7.140 6.857 1.00 0.00 H new ATOM 0 HB VAL A 117 7.392 8.330 8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.858 7.297 10.498 1.00 0.00 H new ATOM 0 HG12 VAL A 117 5.112 7.451 8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.710 5.869 9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 117 8.290 6.981 10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.257 5.537 9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 117 9.329 6.899 9.282 1.00 0.00 H new ATOM 1929 N ILE A 118 8.496 8.498 6.169 1.00 0.00 N ATOM 1930 CA ILE A 118 9.639 9.135 5.516 1.00 0.00 C ATOM 1931 C ILE A 118 9.698 10.628 5.841 1.00 0.00 C ATOM 1932 O ILE A 118 8.762 11.373 5.545 1.00 0.00 O ATOM 1933 CB ILE A 118 9.591 8.959 3.981 1.00 0.00 C ATOM 1934 CG1 ILE A 118 9.183 7.531 3.605 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.940 9.306 3.368 1.00 0.00 C ATOM 1936 CD1 ILE A 118 8.785 7.376 2.154 1.00 0.00 C ATOM 0 H ILE A 118 7.635 9.043 6.134 1.00 0.00 H new ATOM 0 HA ILE A 118 10.532 8.643 5.901 1.00 0.00 H new ATOM 0 HB ILE A 118 8.839 9.640 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.012 6.857 3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.350 7.222 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.892 9.178 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.189 10.341 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.706 8.648 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.509 6.339 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.935 8.024 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.624 7.653 1.515 1.00 0.00 H new ATOM 1948 N GLN A 119 10.803 11.059 6.447 1.00 0.00 N ATOM 1949 CA GLN A 119 10.988 12.465 6.810 1.00 0.00 C ATOM 1950 C GLN A 119 12.334 12.983 6.310 1.00 0.00 C ATOM 1951 O GLN A 119 13.386 12.546 6.781 1.00 0.00 O ATOM 1952 CB GLN A 119 10.895 12.638 8.328 1.00 0.00 C ATOM 1953 CG GLN A 119 9.612 13.315 8.788 1.00 0.00 C ATOM 1954 CD GLN A 119 9.823 14.205 9.999 1.00 0.00 C ATOM 1955 OE1 GLN A 119 9.681 15.425 9.918 1.00 0.00 O ATOM 1956 NE2 GLN A 119 10.163 13.599 11.131 1.00 0.00 N ATOM 0 H GLN A 119 11.585 10.455 6.698 1.00 0.00 H new ATOM 0 HA GLN A 119 10.196 13.044 6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 119 10.969 11.659 8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.748 13.224 8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 119 9.207 13.911 7.970 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.869 12.554 9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.270 12.585 11.154 1.00 0.00 H new ATOM 0 HE22 GLN A 119 10.317 14.148 11.977 1.00 0.00 H new ATOM 1965 N ILE A 120 12.298 13.917 5.359 1.00 0.00 N ATOM 1966 CA ILE A 120 13.524 14.492 4.804 1.00 0.00 C ATOM 1967 C ILE A 120 13.332 15.963 4.420 1.00 0.00 C ATOM 1968 O ILE A 120 13.351 16.314 3.239 1.00 0.00 O ATOM 1969 CB ILE A 120 14.019 13.706 3.568 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.888 13.532 2.547 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.583 12.355 3.985 1.00 0.00 C ATOM 1972 CD1 ILE A 120 13.342 13.682 1.111 1.00 0.00 C ATOM 0 H ILE A 120 11.437 14.290 4.958 1.00 0.00 H new ATOM 0 HA ILE A 120 14.277 14.423 5.589 1.00 0.00 H new ATOM 0 HB ILE A 120 14.817 14.278 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.440 12.547 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.108 14.266 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.926 11.816 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.420 12.505 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.807 11.775 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.490 13.547 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.763 14.677 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.100 12.931 0.889 1.00 0.00 H new ATOM 1984 N PRO A 121 13.146 16.847 5.417 1.00 0.00 N ATOM 1985 CA PRO A 121 12.954 18.283 5.175 1.00 0.00 C ATOM 1986 C PRO A 121 14.255 18.995 4.790 1.00 0.00 C ATOM 1987 O PRO A 121 14.718 19.892 5.499 1.00 0.00 O ATOM 1988 CB PRO A 121 12.430 18.792 6.519 1.00 0.00 C ATOM 1989 CG PRO A 121 13.017 17.863 7.527 1.00 0.00 C ATOM 1990 CD PRO A 121 13.105 16.519 6.857 1.00 0.00 C ATOM 0 HA PRO A 121 12.281 18.473 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 121 12.739 19.821 6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.341 18.776 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 121 14.002 18.205 7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.394 17.813 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.996 15.974 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.247 15.893 7.101 1.00 0.00 H new