USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc= 0 X(o=0,f=0.0019) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 150:sc= 0.469 (180deg=0.201) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 136:sc= 0.937 (180deg=-0.223) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -51:sc= 0.00358 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc=-0.00516 (180deg=-0.105) USER MOD Single : A 58 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.2) USER MOD Single : A 59 SER OG : rot -74:sc= 0.615 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.700 -13.760 -3.634 1.00 0.00 N ATOM 2 CA ALA A 1 -4.415 -14.861 -4.331 1.00 0.00 C ATOM 3 C ALA A 1 -5.566 -14.339 -5.220 1.00 0.00 C ATOM 4 O ALA A 1 -6.703 -14.811 -5.129 1.00 0.00 O ATOM 5 CB ALA A 1 -4.895 -15.920 -3.314 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.326 -14.108 -2.728 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.914 -13.426 -4.228 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.359 -12.975 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.710 -15.343 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.417 -16.719 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.036 -16.333 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.572 -15.455 -2.597 1.00 0.00 H new ATOM 13 N GLY A 2 -5.312 -13.347 -6.085 1.00 0.00 N ATOM 14 CA GLY A 2 -6.328 -12.718 -6.945 1.00 0.00 C ATOM 15 C GLY A 2 -7.208 -11.713 -6.191 1.00 0.00 C ATOM 16 O GLY A 2 -6.934 -10.512 -6.214 1.00 0.00 O ATOM 0 H GLY A 2 -4.380 -12.952 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.833 -12.210 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.960 -13.493 -7.379 1.00 0.00 H new ATOM 20 N HIS A 3 -8.260 -12.198 -5.519 1.00 0.00 N ATOM 21 CA HIS A 3 -9.212 -11.390 -4.735 1.00 0.00 C ATOM 22 C HIS A 3 -9.752 -12.171 -3.524 1.00 0.00 C ATOM 23 O HIS A 3 -10.759 -12.873 -3.634 1.00 0.00 O ATOM 24 CB HIS A 3 -10.344 -10.900 -5.661 1.00 0.00 C ATOM 25 CG HIS A 3 -11.322 -9.974 -4.977 1.00 0.00 C ATOM 26 ND1 HIS A 3 -12.680 -10.196 -4.821 1.00 0.00 N ATOM 27 CD2 HIS A 3 -11.019 -8.765 -4.413 1.00 0.00 C ATOM 28 CE1 HIS A 3 -13.194 -9.131 -4.172 1.00 0.00 C ATOM 29 NE2 HIS A 3 -12.203 -8.250 -3.911 1.00 0.00 N ATOM 0 H HIS A 3 -8.482 -13.194 -5.503 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.695 -10.521 -4.328 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.906 -10.386 -6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.884 -11.763 -6.050 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.045 -8.301 -4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.232 -9.003 -3.904 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.309 -7.358 -3.427 1.00 0.00 H new ATOM 38 N MET A 4 -9.067 -12.078 -2.377 1.00 0.00 N ATOM 39 CA MET A 4 -9.502 -12.736 -1.131 1.00 0.00 C ATOM 40 C MET A 4 -9.023 -12.033 0.152 1.00 0.00 C ATOM 41 O MET A 4 -9.845 -11.748 1.024 1.00 0.00 O ATOM 42 CB MET A 4 -9.092 -14.225 -1.167 1.00 0.00 C ATOM 43 CG MET A 4 -10.086 -15.104 -0.395 1.00 0.00 C ATOM 44 SD MET A 4 -10.037 -16.865 -0.833 1.00 0.00 S ATOM 45 CE MET A 4 -11.084 -16.835 -2.320 1.00 0.00 C ATOM 0 H MET A 4 -8.200 -11.549 -2.283 1.00 0.00 H new ATOM 0 HA MET A 4 -10.588 -12.660 -1.088 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.035 -14.562 -2.202 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.096 -14.339 -0.739 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.887 -15.003 0.672 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.094 -14.728 -0.569 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.166 -17.843 -2.728 1.00 0.00 H new ATOM 0 HE2 MET A 4 -12.076 -16.467 -2.059 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.638 -16.177 -3.066 1.00 0.00 H new ATOM 55 N LYS A 5 -7.713 -11.769 0.288 1.00 0.00 N ATOM 56 CA LYS A 5 -7.081 -11.022 1.400 1.00 0.00 C ATOM 57 C LYS A 5 -6.015 -10.061 0.856 1.00 0.00 C ATOM 58 O LYS A 5 -4.813 -10.284 0.998 1.00 0.00 O ATOM 59 CB LYS A 5 -6.505 -11.968 2.485 1.00 0.00 C ATOM 60 CG LYS A 5 -7.563 -12.591 3.413 1.00 0.00 C ATOM 61 CD LYS A 5 -8.096 -13.944 2.915 1.00 0.00 C ATOM 62 CE LYS A 5 -9.420 -14.360 3.576 1.00 0.00 C ATOM 63 NZ LYS A 5 -10.530 -13.409 3.286 1.00 0.00 N ATOM 0 H LYS A 5 -7.031 -12.082 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.855 -10.431 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.953 -12.769 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.790 -11.412 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.132 -12.722 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.397 -11.897 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.237 -13.895 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.347 -14.713 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.699 -15.355 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.278 -14.428 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.391 -13.942 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.708 -12.817 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.267 -12.803 2.483 1.00 0.00 H new ATOM 77 N GLU A 6 -6.473 -8.985 0.217 1.00 0.00 N ATOM 78 CA GLU A 6 -5.639 -7.905 -0.334 1.00 0.00 C ATOM 79 C GLU A 6 -5.976 -6.545 0.308 1.00 0.00 C ATOM 80 O GLU A 6 -6.989 -6.395 0.997 1.00 0.00 O ATOM 81 CB GLU A 6 -5.810 -7.822 -1.863 1.00 0.00 C ATOM 82 CG GLU A 6 -5.638 -9.136 -2.649 1.00 0.00 C ATOM 83 CD GLU A 6 -4.318 -9.900 -2.410 1.00 0.00 C ATOM 84 OE1 GLU A 6 -3.278 -9.281 -2.078 1.00 0.00 O ATOM 85 OE2 GLU A 6 -4.322 -11.143 -2.598 1.00 0.00 O ATOM 0 H GLU A 6 -7.469 -8.831 0.061 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.600 -8.139 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.804 -7.427 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.091 -7.099 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.468 -9.797 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.718 -8.913 -3.713 1.00 0.00 H new ATOM 92 N PHE A 7 -5.133 -5.534 0.074 1.00 0.00 N ATOM 93 CA PHE A 7 -5.333 -4.169 0.568 1.00 0.00 C ATOM 94 C PHE A 7 -6.433 -3.412 -0.199 1.00 0.00 C ATOM 95 O PHE A 7 -6.395 -3.317 -1.430 1.00 0.00 O ATOM 96 CB PHE A 7 -3.992 -3.420 0.527 1.00 0.00 C ATOM 97 CG PHE A 7 -3.143 -3.648 1.766 1.00 0.00 C ATOM 98 CD1 PHE A 7 -3.658 -3.309 3.033 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.850 -4.196 1.666 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.900 -3.545 4.190 1.00 0.00 C ATOM 101 CE2 PHE A 7 -1.093 -4.423 2.832 1.00 0.00 C ATOM 102 CZ PHE A 7 -1.619 -4.099 4.089 1.00 0.00 C ATOM 0 H PHE A 7 -4.279 -5.644 -0.473 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.685 -4.226 1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.432 -3.737 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.182 -2.353 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.640 -2.866 3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.440 -4.442 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.306 -3.299 5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -0.103 -4.848 2.756 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.036 -4.277 4.980 1.00 0.00 H new ATOM 112 N ARG A 8 -7.412 -2.857 0.534 1.00 0.00 N ATOM 113 CA ARG A 8 -8.529 -2.046 0.007 1.00 0.00 C ATOM 114 C ARG A 8 -8.261 -0.534 0.082 1.00 0.00 C ATOM 115 O ARG A 8 -7.473 -0.093 0.923 1.00 0.00 O ATOM 116 CB ARG A 8 -9.818 -2.392 0.781 1.00 0.00 C ATOM 117 CG ARG A 8 -10.580 -3.534 0.101 1.00 0.00 C ATOM 118 CD ARG A 8 -11.868 -3.875 0.863 1.00 0.00 C ATOM 119 NE ARG A 8 -12.927 -2.861 0.664 1.00 0.00 N ATOM 120 CZ ARG A 8 -14.087 -2.790 1.295 1.00 0.00 C ATOM 121 NH1 ARG A 8 -14.404 -3.611 2.256 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.966 -1.888 0.964 1.00 0.00 N ATOM 0 H ARG A 8 -7.451 -2.963 1.548 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.639 -2.291 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.567 -2.676 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.456 -1.511 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.824 -3.252 -0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.943 -4.417 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.234 -4.848 0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.646 -3.960 1.927 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.743 -2.140 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.748 -4.337 2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.308 -3.527 2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.762 -1.229 0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.858 -1.841 1.456 1.00 0.00 H new ATOM 136 N PRO A 9 -8.934 0.281 -0.755 1.00 0.00 N ATOM 137 CA PRO A 9 -8.752 1.731 -0.776 1.00 0.00 C ATOM 138 C PRO A 9 -9.309 2.387 0.497 1.00 0.00 C ATOM 139 O PRO A 9 -10.405 2.062 0.959 1.00 0.00 O ATOM 140 CB PRO A 9 -9.467 2.211 -2.041 1.00 0.00 C ATOM 141 CG PRO A 9 -10.576 1.179 -2.236 1.00 0.00 C ATOM 142 CD PRO A 9 -9.939 -0.118 -1.734 1.00 0.00 C ATOM 0 HA PRO A 9 -7.698 2.009 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.871 3.216 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.792 2.242 -2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.469 1.436 -1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.875 1.102 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.686 -0.771 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.485 -0.673 -2.555 1.00 0.00 H new ATOM 150 N GLY A 10 -8.537 3.304 1.079 1.00 0.00 N ATOM 151 CA GLY A 10 -8.864 4.031 2.308 1.00 0.00 C ATOM 152 C GLY A 10 -8.498 3.286 3.599 1.00 0.00 C ATOM 153 O GLY A 10 -8.619 3.863 4.680 1.00 0.00 O ATOM 0 H GLY A 10 -7.632 3.572 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.347 4.991 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.933 4.245 2.316 1.00 0.00 H new ATOM 157 N ASP A 11 -8.045 2.027 3.516 1.00 0.00 N ATOM 158 CA ASP A 11 -7.600 1.248 4.677 1.00 0.00 C ATOM 159 C ASP A 11 -6.415 1.937 5.368 1.00 0.00 C ATOM 160 O ASP A 11 -5.422 2.287 4.721 1.00 0.00 O ATOM 161 CB ASP A 11 -7.179 -0.179 4.275 1.00 0.00 C ATOM 162 CG ASP A 11 -8.337 -1.163 4.024 1.00 0.00 C ATOM 163 OD1 ASP A 11 -9.514 -0.744 3.909 1.00 0.00 O ATOM 164 OD2 ASP A 11 -8.056 -2.385 3.977 1.00 0.00 O ATOM 0 H ASP A 11 -7.977 1.518 2.634 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.445 1.187 5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.573 -0.120 3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.542 -0.586 5.060 1.00 0.00 H new ATOM 169 N LYS A 12 -6.514 2.118 6.690 1.00 0.00 N ATOM 170 CA LYS A 12 -5.434 2.661 7.522 1.00 0.00 C ATOM 171 C LYS A 12 -4.300 1.635 7.611 1.00 0.00 C ATOM 172 O LYS A 12 -4.472 0.559 8.187 1.00 0.00 O ATOM 173 CB LYS A 12 -5.957 3.049 8.923 1.00 0.00 C ATOM 174 CG LYS A 12 -5.989 4.572 9.142 1.00 0.00 C ATOM 175 CD LYS A 12 -5.823 4.893 10.636 1.00 0.00 C ATOM 176 CE LYS A 12 -5.949 6.388 10.960 1.00 0.00 C ATOM 177 NZ LYS A 12 -7.364 6.851 10.940 1.00 0.00 N ATOM 0 H LYS A 12 -7.356 1.889 7.218 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.048 3.571 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.961 2.645 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.325 2.590 9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.192 5.047 8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.931 4.980 8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.573 4.342 11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.848 4.538 10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.519 6.583 11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.370 6.964 10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.400 7.866 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.768 6.690 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.913 6.321 11.646 1.00 0.00 H new ATOM 191 N VAL A 13 -3.145 1.964 7.042 1.00 0.00 N ATOM 192 CA VAL A 13 -1.936 1.123 7.038 1.00 0.00 C ATOM 193 C VAL A 13 -0.729 1.902 7.567 1.00 0.00 C ATOM 194 O VAL A 13 -0.727 3.133 7.572 1.00 0.00 O ATOM 195 CB VAL A 13 -1.674 0.527 5.635 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.811 -0.400 5.202 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.497 1.576 4.532 1.00 0.00 C ATOM 0 H VAL A 13 -3.012 2.850 6.554 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.101 0.284 7.713 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.737 -0.018 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.596 -0.802 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.903 -1.220 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.745 0.160 5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.317 1.076 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.400 2.183 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.648 2.216 4.772 1.00 0.00 H new ATOM 207 N VAL A 14 0.306 1.200 8.028 1.00 0.00 N ATOM 208 CA VAL A 14 1.580 1.796 8.473 1.00 0.00 C ATOM 209 C VAL A 14 2.620 1.665 7.365 1.00 0.00 C ATOM 210 O VAL A 14 2.814 0.583 6.814 1.00 0.00 O ATOM 211 CB VAL A 14 2.081 1.210 9.810 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.022 -0.315 9.865 1.00 0.00 C ATOM 213 CG2 VAL A 14 3.524 1.616 10.152 1.00 0.00 C ATOM 0 H VAL A 14 0.289 0.183 8.107 1.00 0.00 H new ATOM 0 HA VAL A 14 1.406 2.854 8.670 1.00 0.00 H new ATOM 0 HB VAL A 14 1.391 1.636 10.539 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.389 -0.659 10.832 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.992 -0.644 9.730 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.643 -0.732 9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.812 1.170 11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.196 1.265 9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.589 2.702 10.226 1.00 0.00 H new ATOM 223 N LEU A 15 3.283 2.774 7.039 1.00 0.00 N ATOM 224 CA LEU A 15 4.379 2.824 6.073 1.00 0.00 C ATOM 225 C LEU A 15 5.429 3.865 6.512 1.00 0.00 C ATOM 226 O LEU A 15 5.187 5.065 6.361 1.00 0.00 O ATOM 227 CB LEU A 15 3.797 3.113 4.680 1.00 0.00 C ATOM 228 CG LEU A 15 4.807 3.060 3.516 1.00 0.00 C ATOM 229 CD1 LEU A 15 5.785 1.884 3.589 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.059 2.917 2.192 1.00 0.00 C ATOM 0 H LEU A 15 3.068 3.683 7.449 1.00 0.00 H new ATOM 0 HA LEU A 15 4.897 1.866 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.002 2.395 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.337 4.101 4.695 1.00 0.00 H new ATOM 0 HG LEU A 15 5.375 3.988 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.461 1.919 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.362 1.948 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.229 0.947 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.776 2.880 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.472 1.999 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.395 3.770 2.055 1.00 0.00 H new ATOM 242 N PRO A 16 6.560 3.463 7.118 1.00 0.00 N ATOM 243 CA PRO A 16 7.619 4.398 7.505 1.00 0.00 C ATOM 244 C PRO A 16 8.350 5.003 6.279 1.00 0.00 C ATOM 245 O PRO A 16 8.298 4.427 5.186 1.00 0.00 O ATOM 246 CB PRO A 16 8.550 3.589 8.414 1.00 0.00 C ATOM 247 CG PRO A 16 8.363 2.148 7.943 1.00 0.00 C ATOM 248 CD PRO A 16 6.901 2.103 7.511 1.00 0.00 C ATOM 0 HA PRO A 16 7.219 5.269 8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.586 3.911 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.282 3.704 9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.033 1.905 7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.568 1.435 8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.760 1.410 6.682 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.263 1.760 8.326 1.00 0.00 H new ATOM 256 N PRO A 17 9.049 6.148 6.437 1.00 0.00 N ATOM 257 CA PRO A 17 9.209 6.923 7.675 1.00 0.00 C ATOM 258 C PRO A 17 7.972 7.758 8.068 1.00 0.00 C ATOM 259 O PRO A 17 7.924 8.286 9.179 1.00 0.00 O ATOM 260 CB PRO A 17 10.422 7.823 7.413 1.00 0.00 C ATOM 261 CG PRO A 17 10.331 8.099 5.915 1.00 0.00 C ATOM 262 CD PRO A 17 9.813 6.772 5.361 1.00 0.00 C ATOM 0 HA PRO A 17 9.342 6.252 8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.375 8.743 7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.356 7.327 7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.652 8.923 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.300 8.364 5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.187 6.935 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.639 6.132 5.049 1.00 0.00 H new ATOM 270 N TYR A 18 6.954 7.848 7.200 1.00 0.00 N ATOM 271 CA TYR A 18 5.687 8.556 7.451 1.00 0.00 C ATOM 272 C TYR A 18 4.950 8.017 8.692 1.00 0.00 C ATOM 273 O TYR A 18 4.436 8.783 9.509 1.00 0.00 O ATOM 274 CB TYR A 18 4.779 8.457 6.209 1.00 0.00 C ATOM 275 CG TYR A 18 5.480 8.690 4.881 1.00 0.00 C ATOM 276 CD1 TYR A 18 5.902 9.987 4.537 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.722 7.612 4.000 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.571 10.210 3.319 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.385 7.831 2.774 1.00 0.00 C ATOM 280 CZ TYR A 18 6.821 9.134 2.439 1.00 0.00 C ATOM 281 OH TYR A 18 7.497 9.360 1.279 1.00 0.00 O ATOM 0 H TYR A 18 6.989 7.418 6.276 1.00 0.00 H new ATOM 0 HA TYR A 18 5.929 9.600 7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.319 7.469 6.192 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.972 9.183 6.309 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.713 10.812 5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.398 6.617 4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.894 11.207 3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.558 7.009 2.096 1.00 0.00 H new ATOM 0 HH TYR A 18 7.589 8.519 0.785 1.00 0.00 H new ATOM 291 N GLY A 19 4.909 6.689 8.834 1.00 0.00 N ATOM 292 CA GLY A 19 4.359 5.947 9.978 1.00 0.00 C ATOM 293 C GLY A 19 2.879 5.580 9.823 1.00 0.00 C ATOM 294 O GLY A 19 2.412 4.627 10.440 1.00 0.00 O ATOM 0 H GLY A 19 5.278 6.066 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.937 5.034 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.483 6.545 10.881 1.00 0.00 H new ATOM 298 N VAL A 20 2.135 6.317 8.995 1.00 0.00 N ATOM 299 CA VAL A 20 0.732 6.063 8.634 1.00 0.00 C ATOM 300 C VAL A 20 0.516 6.479 7.176 1.00 0.00 C ATOM 301 O VAL A 20 1.029 7.514 6.745 1.00 0.00 O ATOM 302 CB VAL A 20 -0.256 6.840 9.540 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.711 6.461 9.225 1.00 0.00 C ATOM 304 CG2 VAL A 20 -0.035 6.586 11.037 1.00 0.00 C ATOM 0 H VAL A 20 2.509 7.147 8.535 1.00 0.00 H new ATOM 0 HA VAL A 20 0.535 5.000 8.771 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.066 7.892 9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.382 7.021 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.932 6.699 8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.853 5.393 9.391 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.760 7.160 11.614 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.162 5.524 11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.974 6.893 11.313 1.00 0.00 H new ATOM 314 N GLY A 21 -0.259 5.700 6.426 1.00 0.00 N ATOM 315 CA GLY A 21 -0.675 5.970 5.049 1.00 0.00 C ATOM 316 C GLY A 21 -2.037 5.346 4.742 1.00 0.00 C ATOM 317 O GLY A 21 -2.561 4.552 5.530 1.00 0.00 O ATOM 0 H GLY A 21 -0.634 4.819 6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.722 7.047 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.071 5.576 4.359 1.00 0.00 H new ATOM 321 N VAL A 22 -2.614 5.695 3.589 1.00 0.00 N ATOM 322 CA VAL A 22 -3.866 5.117 3.089 1.00 0.00 C ATOM 323 C VAL A 22 -3.712 4.710 1.626 1.00 0.00 C ATOM 324 O VAL A 22 -3.144 5.437 0.807 1.00 0.00 O ATOM 325 CB VAL A 22 -5.079 6.046 3.298 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.223 6.477 4.763 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.087 7.294 2.408 1.00 0.00 C ATOM 0 H VAL A 22 -2.218 6.399 2.966 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.071 4.224 3.679 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.932 5.435 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.089 7.130 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.356 5.596 5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.326 7.012 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.975 7.888 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.196 7.889 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.096 6.994 1.360 1.00 0.00 H new ATOM 337 N VAL A 23 -4.190 3.514 1.301 1.00 0.00 N ATOM 338 CA VAL A 23 -4.164 2.960 -0.060 1.00 0.00 C ATOM 339 C VAL A 23 -5.195 3.684 -0.939 1.00 0.00 C ATOM 340 O VAL A 23 -6.292 3.989 -0.475 1.00 0.00 O ATOM 341 CB VAL A 23 -4.446 1.447 -0.003 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.339 0.810 -1.393 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.467 0.731 0.943 1.00 0.00 C ATOM 0 H VAL A 23 -4.615 2.886 1.983 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.179 3.112 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.463 1.331 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.543 -0.258 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.064 1.273 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.334 0.961 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.693 -0.335 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.446 0.880 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.568 1.140 1.948 1.00 0.00 H new ATOM 353 N ALA A 24 -4.875 3.939 -2.208 1.00 0.00 N ATOM 354 CA ALA A 24 -5.741 4.623 -3.175 1.00 0.00 C ATOM 355 C ALA A 24 -6.298 3.679 -4.260 1.00 0.00 C ATOM 356 O ALA A 24 -7.474 3.774 -4.618 1.00 0.00 O ATOM 357 CB ALA A 24 -4.944 5.777 -3.796 1.00 0.00 C ATOM 0 H ALA A 24 -3.976 3.667 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.617 5.004 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.568 6.302 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.636 6.470 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.061 5.381 -4.298 1.00 0.00 H new ATOM 363 N GLY A 25 -5.473 2.760 -4.771 1.00 0.00 N ATOM 364 CA GLY A 25 -5.852 1.772 -5.787 1.00 0.00 C ATOM 365 C GLY A 25 -4.656 1.027 -6.386 1.00 0.00 C ATOM 366 O GLY A 25 -3.500 1.327 -6.076 1.00 0.00 O ATOM 0 H GLY A 25 -4.498 2.680 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.536 1.049 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.395 2.275 -6.587 1.00 0.00 H new ATOM 370 N ILE A 26 -4.947 0.044 -7.242 1.00 0.00 N ATOM 371 CA ILE A 26 -3.962 -0.779 -7.954 1.00 0.00 C ATOM 372 C ILE A 26 -3.523 -0.073 -9.244 1.00 0.00 C ATOM 373 O ILE A 26 -4.355 0.312 -10.069 1.00 0.00 O ATOM 374 CB ILE A 26 -4.524 -2.190 -8.268 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.770 -3.055 -7.011 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.509 -2.960 -9.131 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.028 -2.701 -6.210 1.00 0.00 C ATOM 0 H ILE A 26 -5.909 -0.211 -7.467 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.095 -0.908 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.477 -2.024 -8.770 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.835 -4.100 -7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.904 -2.968 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.900 -3.953 -9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.339 -2.419 -10.062 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.568 -3.054 -8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.110 -3.365 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.963 -1.668 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.907 -2.818 -6.843 1.00 0.00 H new ATOM 389 N ALA A 27 -2.209 0.040 -9.440 1.00 0.00 N ATOM 390 CA ALA A 27 -1.567 0.577 -10.639 1.00 0.00 C ATOM 391 C ALA A 27 -0.616 -0.463 -11.258 1.00 0.00 C ATOM 392 O ALA A 27 0.371 -0.857 -10.636 1.00 0.00 O ATOM 393 CB ALA A 27 -0.829 1.865 -10.248 1.00 0.00 C ATOM 0 H ALA A 27 -1.533 -0.254 -8.735 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.313 0.808 -11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.341 2.286 -11.127 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.542 2.586 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.079 1.639 -9.490 1.00 0.00 H new ATOM 399 N GLN A 28 -0.907 -0.930 -12.478 1.00 0.00 N ATOM 400 CA GLN A 28 -0.035 -1.843 -13.227 1.00 0.00 C ATOM 401 C GLN A 28 1.119 -1.090 -13.923 1.00 0.00 C ATOM 402 O GLN A 28 0.897 -0.315 -14.858 1.00 0.00 O ATOM 403 CB GLN A 28 -0.843 -2.695 -14.219 1.00 0.00 C ATOM 404 CG GLN A 28 -1.893 -3.570 -13.508 1.00 0.00 C ATOM 405 CD GLN A 28 -2.179 -4.870 -14.259 1.00 0.00 C ATOM 406 OE1 GLN A 28 -3.203 -5.041 -14.908 1.00 0.00 O ATOM 407 NE2 GLN A 28 -1.292 -5.844 -14.192 1.00 0.00 N ATOM 0 H GLN A 28 -1.761 -0.683 -12.977 1.00 0.00 H new ATOM 0 HA GLN A 28 0.421 -2.524 -12.509 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.341 -2.042 -14.936 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.164 -3.332 -14.786 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.544 -3.805 -12.502 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.819 -3.005 -13.401 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.434 -5.716 -13.655 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.464 -6.725 -14.677 1.00 0.00 H new ATOM 416 N ARG A 29 2.356 -1.329 -13.473 1.00 0.00 N ATOM 417 CA ARG A 29 3.620 -0.750 -13.972 1.00 0.00 C ATOM 418 C ARG A 29 4.373 -1.763 -14.839 1.00 0.00 C ATOM 419 O ARG A 29 4.731 -2.840 -14.365 1.00 0.00 O ATOM 420 CB ARG A 29 4.476 -0.290 -12.768 1.00 0.00 C ATOM 421 CG ARG A 29 4.648 1.235 -12.669 1.00 0.00 C ATOM 422 CD ARG A 29 5.794 1.781 -13.542 1.00 0.00 C ATOM 423 NE ARG A 29 5.328 2.638 -14.654 1.00 0.00 N ATOM 424 CZ ARG A 29 4.886 3.883 -14.583 1.00 0.00 C ATOM 425 NH1 ARG A 29 4.724 4.501 -13.446 1.00 0.00 N ATOM 426 NH2 ARG A 29 4.596 4.542 -15.667 1.00 0.00 N ATOM 0 H ARG A 29 2.517 -1.974 -12.699 1.00 0.00 H new ATOM 0 HA ARG A 29 3.404 0.114 -14.600 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.017 -0.654 -11.849 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.461 -0.753 -12.837 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.716 1.718 -12.963 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.833 1.505 -11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.478 2.352 -12.915 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.360 0.944 -13.951 1.00 0.00 H new ATOM 0 HE ARG A 29 5.350 2.220 -15.584 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.940 4.024 -12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.381 5.461 -13.432 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.709 4.099 -16.579 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.256 5.502 -15.605 1.00 0.00 H new ATOM 440 N SER A 30 4.584 -1.435 -16.114 1.00 0.00 N ATOM 441 CA SER A 30 5.376 -2.228 -17.072 1.00 0.00 C ATOM 442 C SER A 30 6.868 -2.218 -16.706 1.00 0.00 C ATOM 443 O SER A 30 7.549 -1.205 -16.883 1.00 0.00 O ATOM 444 CB SER A 30 5.177 -1.704 -18.500 1.00 0.00 C ATOM 445 OG SER A 30 3.851 -1.960 -18.942 1.00 0.00 O ATOM 0 H SER A 30 4.199 -0.585 -16.527 1.00 0.00 H new ATOM 0 HA SER A 30 5.022 -3.258 -17.022 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.377 -0.633 -18.532 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.890 -2.182 -19.172 1.00 0.00 H new ATOM 0 HG SER A 30 3.738 -1.619 -19.854 1.00 0.00 H new ATOM 451 N VAL A 31 7.377 -3.337 -16.182 1.00 0.00 N ATOM 452 CA VAL A 31 8.776 -3.540 -15.758 1.00 0.00 C ATOM 453 C VAL A 31 9.262 -4.927 -16.193 1.00 0.00 C ATOM 454 O VAL A 31 8.503 -5.888 -16.144 1.00 0.00 O ATOM 455 CB VAL A 31 8.894 -3.331 -14.230 1.00 0.00 C ATOM 456 CG1 VAL A 31 8.151 -4.381 -13.395 1.00 0.00 C ATOM 457 CG2 VAL A 31 10.356 -3.276 -13.776 1.00 0.00 C ATOM 0 H VAL A 31 6.803 -4.167 -16.033 1.00 0.00 H new ATOM 0 HA VAL A 31 9.420 -2.806 -16.242 1.00 0.00 H new ATOM 0 HB VAL A 31 8.412 -2.370 -14.050 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.283 -4.163 -12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.089 -4.357 -13.641 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.552 -5.371 -13.615 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.397 -3.128 -12.697 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.852 -4.212 -14.033 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.861 -2.449 -14.275 1.00 0.00 H new ATOM 467 N SER A 32 10.513 -5.072 -16.646 1.00 0.00 N ATOM 468 CA SER A 32 11.067 -6.359 -17.127 1.00 0.00 C ATOM 469 C SER A 32 10.222 -7.040 -18.238 1.00 0.00 C ATOM 470 O SER A 32 10.236 -8.264 -18.404 1.00 0.00 O ATOM 471 CB SER A 32 11.297 -7.279 -15.914 1.00 0.00 C ATOM 472 OG SER A 32 12.301 -8.250 -16.172 1.00 0.00 O ATOM 0 H SER A 32 11.179 -4.301 -16.692 1.00 0.00 H new ATOM 0 HA SER A 32 12.018 -6.152 -17.618 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.585 -6.678 -15.051 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.364 -7.780 -15.656 1.00 0.00 H new ATOM 0 HG SER A 32 12.102 -8.710 -17.014 1.00 0.00 H new ATOM 478 N GLY A 33 9.447 -6.256 -19.002 1.00 0.00 N ATOM 479 CA GLY A 33 8.508 -6.737 -20.027 1.00 0.00 C ATOM 480 C GLY A 33 7.174 -7.292 -19.497 1.00 0.00 C ATOM 481 O GLY A 33 6.411 -7.873 -20.272 1.00 0.00 O ATOM 0 H GLY A 33 9.456 -5.239 -18.921 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.293 -5.916 -20.712 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.000 -7.517 -20.608 1.00 0.00 H new ATOM 485 N VAL A 34 6.872 -7.124 -18.203 1.00 0.00 N ATOM 486 CA VAL A 34 5.648 -7.593 -17.526 1.00 0.00 C ATOM 487 C VAL A 34 5.005 -6.477 -16.692 1.00 0.00 C ATOM 488 O VAL A 34 5.664 -5.786 -15.916 1.00 0.00 O ATOM 489 CB VAL A 34 5.934 -8.863 -16.689 1.00 0.00 C ATOM 490 CG1 VAL A 34 7.034 -8.714 -15.628 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.671 -9.389 -15.995 1.00 0.00 C ATOM 0 H VAL A 34 7.502 -6.635 -17.567 1.00 0.00 H new ATOM 0 HA VAL A 34 4.921 -7.867 -18.290 1.00 0.00 H new ATOM 0 HB VAL A 34 6.294 -9.573 -17.433 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.158 -9.658 -15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.973 -8.445 -16.112 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.754 -7.934 -14.920 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.917 -10.281 -15.419 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.277 -8.623 -15.327 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.920 -9.638 -16.745 1.00 0.00 H new ATOM 501 N SER A 35 3.704 -6.252 -16.864 1.00 0.00 N ATOM 502 CA SER A 35 2.951 -5.290 -16.054 1.00 0.00 C ATOM 503 C SER A 35 2.695 -5.895 -14.669 1.00 0.00 C ATOM 504 O SER A 35 2.019 -6.921 -14.550 1.00 0.00 O ATOM 505 CB SER A 35 1.627 -4.891 -16.741 1.00 0.00 C ATOM 506 OG SER A 35 1.294 -5.717 -17.852 1.00 0.00 O ATOM 0 H SER A 35 3.140 -6.730 -17.567 1.00 0.00 H new ATOM 0 HA SER A 35 3.539 -4.378 -15.946 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.820 -4.935 -16.010 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.698 -3.856 -17.076 1.00 0.00 H new ATOM 0 HG SER A 35 0.447 -5.415 -18.242 1.00 0.00 H new ATOM 512 N ARG A 36 3.186 -5.243 -13.606 1.00 0.00 N ATOM 513 CA ARG A 36 2.995 -5.675 -12.207 1.00 0.00 C ATOM 514 C ARG A 36 2.127 -4.675 -11.474 1.00 0.00 C ATOM 515 O ARG A 36 2.342 -3.472 -11.592 1.00 0.00 O ATOM 516 CB ARG A 36 4.336 -5.833 -11.468 1.00 0.00 C ATOM 517 CG ARG A 36 5.306 -6.721 -12.247 1.00 0.00 C ATOM 518 CD ARG A 36 6.495 -7.200 -11.403 1.00 0.00 C ATOM 519 NE ARG A 36 6.827 -8.602 -11.729 1.00 0.00 N ATOM 520 CZ ARG A 36 7.877 -9.303 -11.346 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.839 -8.785 -10.636 1.00 0.00 N ATOM 522 NH2 ARG A 36 7.979 -10.559 -11.680 1.00 0.00 N ATOM 0 H ARG A 36 3.736 -4.388 -13.691 1.00 0.00 H new ATOM 0 HA ARG A 36 2.506 -6.649 -12.226 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.785 -4.852 -11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.160 -6.263 -10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.768 -7.588 -12.630 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.680 -6.170 -13.110 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.360 -6.563 -11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.255 -7.113 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 36 6.160 -9.090 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.796 -7.805 -10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.635 -9.360 -10.359 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.247 -11.000 -12.237 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.791 -11.101 -11.384 1.00 0.00 H new ATOM 536 N ALA A 37 1.149 -5.166 -10.728 1.00 0.00 N ATOM 537 CA ALA A 37 0.296 -4.337 -9.894 1.00 0.00 C ATOM 538 C ALA A 37 1.060 -3.798 -8.669 1.00 0.00 C ATOM 539 O ALA A 37 1.878 -4.494 -8.059 1.00 0.00 O ATOM 540 CB ALA A 37 -0.930 -5.170 -9.518 1.00 0.00 C ATOM 0 H ALA A 37 0.924 -6.160 -10.685 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.030 -3.449 -10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.594 -4.577 -8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.458 -5.469 -10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.613 -6.059 -8.973 1.00 0.00 H new ATOM 546 N TYR A 38 0.739 -2.561 -8.294 1.00 0.00 N ATOM 547 CA TYR A 38 1.288 -1.841 -7.150 1.00 0.00 C ATOM 548 C TYR A 38 0.208 -0.982 -6.476 1.00 0.00 C ATOM 549 O TYR A 38 -0.491 -0.226 -7.152 1.00 0.00 O ATOM 550 CB TYR A 38 2.445 -0.957 -7.629 1.00 0.00 C ATOM 551 CG TYR A 38 3.731 -1.705 -7.947 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.600 -2.053 -6.898 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.074 -2.046 -9.271 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.801 -2.740 -7.156 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.289 -2.702 -9.540 1.00 0.00 C ATOM 556 CZ TYR A 38 6.148 -3.070 -8.483 1.00 0.00 C ATOM 557 OH TYR A 38 7.299 -3.746 -8.751 1.00 0.00 O ATOM 0 H TYR A 38 0.054 -2.007 -8.807 1.00 0.00 H new ATOM 0 HA TYR A 38 1.651 -2.559 -6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.126 -0.417 -8.520 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.655 -0.211 -6.862 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.343 -1.790 -5.882 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.402 -1.803 -10.081 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.455 -3.014 -6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.565 -2.925 -10.560 1.00 0.00 H new ATOM 0 HH TYR A 38 7.377 -3.889 -9.717 1.00 0.00 H new ATOM 567 N TYR A 39 0.055 -1.088 -5.154 1.00 0.00 N ATOM 568 CA TYR A 39 -0.865 -0.248 -4.378 1.00 0.00 C ATOM 569 C TYR A 39 -0.307 1.167 -4.195 1.00 0.00 C ATOM 570 O TYR A 39 0.749 1.330 -3.583 1.00 0.00 O ATOM 571 CB TYR A 39 -1.125 -0.863 -2.994 1.00 0.00 C ATOM 572 CG TYR A 39 -1.589 -2.302 -2.995 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.669 -2.695 -3.807 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.933 -3.247 -2.186 1.00 0.00 C ATOM 575 CE1 TYR A 39 -3.068 -4.043 -3.842 1.00 0.00 C ATOM 576 CE2 TYR A 39 -1.341 -4.592 -2.205 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.409 -4.995 -3.036 1.00 0.00 C ATOM 578 OH TYR A 39 -2.776 -6.301 -3.118 1.00 0.00 O ATOM 0 H TYR A 39 0.568 -1.763 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.799 -0.192 -4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.208 -0.796 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.874 -0.259 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.191 -1.961 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.116 -2.939 -1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.879 -4.349 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.837 -5.318 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.230 -6.834 -2.503 1.00 0.00 H new ATOM 588 N GLN A 40 -0.994 2.184 -4.723 1.00 0.00 N ATOM 589 CA GLN A 40 -0.640 3.596 -4.538 1.00 0.00 C ATOM 590 C GLN A 40 -0.998 4.047 -3.110 1.00 0.00 C ATOM 591 O GLN A 40 -2.168 4.266 -2.810 1.00 0.00 O ATOM 592 CB GLN A 40 -1.345 4.450 -5.614 1.00 0.00 C ATOM 593 CG GLN A 40 -1.158 5.964 -5.388 1.00 0.00 C ATOM 594 CD GLN A 40 -1.485 6.803 -6.624 1.00 0.00 C ATOM 595 OE1 GLN A 40 -0.834 6.719 -7.655 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.469 7.676 -6.571 1.00 0.00 N ATOM 0 H GLN A 40 -1.824 2.048 -5.300 1.00 0.00 H new ATOM 0 HA GLN A 40 0.435 3.730 -4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.956 4.183 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.410 4.216 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.794 6.283 -4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.127 6.156 -5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.027 7.765 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.674 8.264 -7.379 1.00 0.00 H new ATOM 605 N VAL A 41 -0.016 4.160 -2.215 1.00 0.00 N ATOM 606 CA VAL A 41 -0.192 4.679 -0.845 1.00 0.00 C ATOM 607 C VAL A 41 0.053 6.185 -0.853 1.00 0.00 C ATOM 608 O VAL A 41 1.182 6.615 -1.075 1.00 0.00 O ATOM 609 CB VAL A 41 0.746 4.012 0.176 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.285 4.340 1.602 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.783 2.492 0.026 1.00 0.00 C ATOM 0 H VAL A 41 0.946 3.890 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.211 4.448 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 41 1.745 4.404 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.954 3.864 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.302 5.420 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.729 3.969 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.459 2.069 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.218 2.087 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.135 2.233 -0.973 1.00 0.00 H new ATOM 621 N ASP A 42 -0.991 6.989 -0.660 1.00 0.00 N ATOM 622 CA ASP A 42 -0.921 8.457 -0.615 1.00 0.00 C ATOM 623 C ASP A 42 -0.946 8.939 0.849 1.00 0.00 C ATOM 624 O ASP A 42 -1.755 8.461 1.652 1.00 0.00 O ATOM 625 CB ASP A 42 -2.102 9.019 -1.435 1.00 0.00 C ATOM 626 CG ASP A 42 -1.918 10.463 -1.942 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.023 11.194 -1.461 1.00 0.00 O ATOM 628 OD2 ASP A 42 -2.691 10.873 -2.842 1.00 0.00 O ATOM 0 H ASP A 42 -1.937 6.632 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 42 0.010 8.818 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.271 8.368 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.002 8.978 -0.822 1.00 0.00 H new ATOM 633 N PHE A 43 -0.056 9.861 1.223 1.00 0.00 N ATOM 634 CA PHE A 43 0.103 10.344 2.606 1.00 0.00 C ATOM 635 C PHE A 43 -0.395 11.793 2.759 1.00 0.00 C ATOM 636 O PHE A 43 -0.231 12.594 1.831 1.00 0.00 O ATOM 637 CB PHE A 43 1.573 10.233 3.041 1.00 0.00 C ATOM 638 CG PHE A 43 2.244 8.936 2.635 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.081 7.770 3.401 1.00 0.00 C ATOM 640 CD2 PHE A 43 2.978 8.884 1.437 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.648 6.563 2.970 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.553 7.682 1.004 1.00 0.00 C ATOM 643 CZ PHE A 43 3.387 6.520 1.774 1.00 0.00 C ATOM 0 H PHE A 43 0.587 10.303 0.566 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.508 9.715 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.131 11.067 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.628 10.334 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.519 7.804 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.100 9.779 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.517 5.666 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.119 7.650 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.828 5.590 1.447 1.00 0.00 H new ATOM 653 N PRO A 44 -0.965 12.181 3.918 1.00 0.00 N ATOM 654 CA PRO A 44 -1.398 13.559 4.155 1.00 0.00 C ATOM 655 C PRO A 44 -0.208 14.532 4.266 1.00 0.00 C ATOM 656 O PRO A 44 0.933 14.138 4.520 1.00 0.00 O ATOM 657 CB PRO A 44 -2.231 13.500 5.439 1.00 0.00 C ATOM 658 CG PRO A 44 -1.635 12.314 6.198 1.00 0.00 C ATOM 659 CD PRO A 44 -1.244 11.348 5.080 1.00 0.00 C ATOM 0 HA PRO A 44 -1.982 13.948 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.151 14.424 6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.289 13.348 5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.772 12.610 6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.358 11.868 6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.370 10.760 5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.049 10.643 4.872 1.00 0.00 H new ATOM 667 N GLY A 45 -0.481 15.828 4.081 1.00 0.00 N ATOM 668 CA GLY A 45 0.501 16.922 4.145 1.00 0.00 C ATOM 669 C GLY A 45 1.322 17.154 2.863 1.00 0.00 C ATOM 670 O GLY A 45 1.964 18.199 2.733 1.00 0.00 O ATOM 0 H GLY A 45 -1.424 16.158 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.025 17.845 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.190 16.720 4.965 1.00 0.00 H new ATOM 674 N SER A 46 1.299 16.218 1.910 1.00 0.00 N ATOM 675 CA SER A 46 1.957 16.309 0.594 1.00 0.00 C ATOM 676 C SER A 46 1.222 15.468 -0.467 1.00 0.00 C ATOM 677 O SER A 46 0.087 15.032 -0.254 1.00 0.00 O ATOM 678 CB SER A 46 3.431 15.882 0.714 1.00 0.00 C ATOM 679 OG SER A 46 3.548 14.478 0.880 1.00 0.00 O ATOM 0 H SER A 46 0.801 15.337 2.035 1.00 0.00 H new ATOM 0 HA SER A 46 1.917 17.347 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.976 16.192 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.892 16.390 1.561 1.00 0.00 H new ATOM 0 HG SER A 46 4.495 14.235 0.952 1.00 0.00 H new ATOM 685 N ARG A 47 1.855 15.270 -1.633 1.00 0.00 N ATOM 686 CA ARG A 47 1.385 14.418 -2.740 1.00 0.00 C ATOM 687 C ARG A 47 2.274 13.178 -2.939 1.00 0.00 C ATOM 688 O ARG A 47 2.141 12.483 -3.948 1.00 0.00 O ATOM 689 CB ARG A 47 1.232 15.260 -4.023 1.00 0.00 C ATOM 690 CG ARG A 47 -0.089 14.935 -4.742 1.00 0.00 C ATOM 691 CD ARG A 47 -0.259 15.739 -6.037 1.00 0.00 C ATOM 692 NE ARG A 47 -0.466 17.179 -5.775 1.00 0.00 N ATOM 693 CZ ARG A 47 -0.675 18.126 -6.671 1.00 0.00 C ATOM 694 NH1 ARG A 47 -0.686 17.877 -7.951 1.00 0.00 N ATOM 695 NH2 ARG A 47 -0.884 19.357 -6.297 1.00 0.00 N ATOM 0 H ARG A 47 2.747 15.718 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 47 0.402 14.026 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.262 16.320 -3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.071 15.067 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.123 13.870 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.925 15.144 -4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.624 15.608 -6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.108 15.347 -6.597 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.445 17.472 -4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.530 16.927 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.851 18.633 -8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.887 19.595 -5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.045 20.082 -6.996 1.00 0.00 H new ATOM 709 N SER A 48 3.191 12.907 -1.999 1.00 0.00 N ATOM 710 CA SER A 48 4.037 11.707 -1.996 1.00 0.00 C ATOM 711 C SER A 48 3.188 10.443 -2.119 1.00 0.00 C ATOM 712 O SER A 48 2.198 10.267 -1.403 1.00 0.00 O ATOM 713 CB SER A 48 4.894 11.621 -0.723 1.00 0.00 C ATOM 714 OG SER A 48 6.109 12.331 -0.898 1.00 0.00 O ATOM 0 H SER A 48 3.368 13.526 -1.208 1.00 0.00 H new ATOM 0 HA SER A 48 4.701 11.783 -2.857 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.343 12.033 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.105 10.578 -0.489 1.00 0.00 H new ATOM 0 HG SER A 48 6.645 12.270 -0.080 1.00 0.00 H new ATOM 720 N LYS A 49 3.605 9.559 -3.025 1.00 0.00 N ATOM 721 CA LYS A 49 3.006 8.246 -3.262 1.00 0.00 C ATOM 722 C LYS A 49 4.062 7.152 -3.129 1.00 0.00 C ATOM 723 O LYS A 49 5.201 7.337 -3.568 1.00 0.00 O ATOM 724 CB LYS A 49 2.279 8.235 -4.621 1.00 0.00 C ATOM 725 CG LYS A 49 3.223 8.220 -5.837 1.00 0.00 C ATOM 726 CD LYS A 49 2.502 8.484 -7.173 1.00 0.00 C ATOM 727 CE LYS A 49 2.803 9.873 -7.752 1.00 0.00 C ATOM 728 NZ LYS A 49 4.229 10.008 -8.165 1.00 0.00 N ATOM 0 H LYS A 49 4.399 9.745 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 49 2.251 8.038 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.630 7.360 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.636 9.113 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.998 8.973 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.724 7.253 -5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.797 7.723 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.427 8.383 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.158 10.055 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.567 10.635 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.331 10.825 -8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.823 10.148 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.530 9.145 -8.661 1.00 0.00 H new ATOM 742 N ALA A 50 3.689 6.020 -2.545 1.00 0.00 N ATOM 743 CA ALA A 50 4.544 4.840 -2.432 1.00 0.00 C ATOM 744 C ALA A 50 3.850 3.644 -3.092 1.00 0.00 C ATOM 745 O ALA A 50 2.682 3.387 -2.816 1.00 0.00 O ATOM 746 CB ALA A 50 4.872 4.577 -0.965 1.00 0.00 C ATOM 0 H ALA A 50 2.767 5.892 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 50 5.488 5.007 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.509 3.696 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.392 5.440 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.949 4.407 -0.411 1.00 0.00 H new ATOM 752 N TYR A 51 4.544 2.945 -3.991 1.00 0.00 N ATOM 753 CA TYR A 51 4.001 1.829 -4.771 1.00 0.00 C ATOM 754 C TYR A 51 4.376 0.492 -4.117 1.00 0.00 C ATOM 755 O TYR A 51 5.502 0.009 -4.259 1.00 0.00 O ATOM 756 CB TYR A 51 4.508 1.923 -6.226 1.00 0.00 C ATOM 757 CG TYR A 51 3.663 2.761 -7.175 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.101 3.985 -6.757 1.00 0.00 C ATOM 759 CD2 TYR A 51 3.458 2.321 -8.500 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.340 4.757 -7.649 1.00 0.00 C ATOM 761 CE2 TYR A 51 2.704 3.097 -9.402 1.00 0.00 C ATOM 762 CZ TYR A 51 2.147 4.326 -8.980 1.00 0.00 C ATOM 763 OH TYR A 51 1.454 5.105 -9.854 1.00 0.00 O ATOM 0 H TYR A 51 5.522 3.143 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 51 2.913 1.885 -4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.518 2.333 -6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.580 0.913 -6.631 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.257 4.330 -5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.882 1.382 -8.825 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.900 5.685 -7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.552 2.754 -10.415 1.00 0.00 H new ATOM 0 HH TYR A 51 1.414 4.662 -10.727 1.00 0.00 H new ATOM 773 N VAL A 52 3.440 -0.098 -3.368 1.00 0.00 N ATOM 774 CA VAL A 52 3.657 -1.357 -2.629 1.00 0.00 C ATOM 775 C VAL A 52 3.393 -2.568 -3.536 1.00 0.00 C ATOM 776 O VAL A 52 2.313 -2.634 -4.129 1.00 0.00 O ATOM 777 CB VAL A 52 2.747 -1.431 -1.393 1.00 0.00 C ATOM 778 CG1 VAL A 52 2.878 -2.773 -0.662 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.062 -0.285 -0.418 1.00 0.00 C ATOM 0 H VAL A 52 2.501 0.283 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 52 4.697 -1.376 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 52 1.721 -1.336 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.217 -2.781 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.602 -3.583 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.908 -2.910 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.407 -0.356 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.101 -0.357 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.902 0.671 -0.916 1.00 0.00 H new ATOM 789 N PRO A 53 4.324 -3.536 -3.652 1.00 0.00 N ATOM 790 CA PRO A 53 4.142 -4.728 -4.483 1.00 0.00 C ATOM 791 C PRO A 53 3.009 -5.618 -3.960 1.00 0.00 C ATOM 792 O PRO A 53 3.015 -6.019 -2.796 1.00 0.00 O ATOM 793 CB PRO A 53 5.490 -5.461 -4.448 1.00 0.00 C ATOM 794 CG PRO A 53 6.122 -5.007 -3.134 1.00 0.00 C ATOM 795 CD PRO A 53 5.620 -3.575 -2.987 1.00 0.00 C ATOM 0 HA PRO A 53 3.854 -4.461 -5.500 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.357 -6.543 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.112 -5.195 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.808 -5.632 -2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.210 -5.051 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.528 -3.299 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.314 -2.869 -3.443 1.00 0.00 H new ATOM 803 N VAL A 54 2.059 -5.979 -4.828 1.00 0.00 N ATOM 804 CA VAL A 54 0.954 -6.894 -4.470 1.00 0.00 C ATOM 805 C VAL A 54 1.418 -8.317 -4.125 1.00 0.00 C ATOM 806 O VAL A 54 0.718 -9.043 -3.421 1.00 0.00 O ATOM 807 CB VAL A 54 -0.119 -6.972 -5.572 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.686 -5.588 -5.903 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.390 -7.611 -6.871 1.00 0.00 C ATOM 0 H VAL A 54 2.028 -5.652 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 54 0.522 -6.455 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.901 -7.610 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.440 -5.681 -6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.140 -5.158 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.118 -4.939 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.416 -7.635 -7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.221 -7.025 -7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.727 -8.628 -6.669 1.00 0.00 H new ATOM 819 N GLU A 55 2.592 -8.730 -4.617 1.00 0.00 N ATOM 820 CA GLU A 55 3.139 -10.082 -4.416 1.00 0.00 C ATOM 821 C GLU A 55 3.657 -10.298 -2.989 1.00 0.00 C ATOM 822 O GLU A 55 3.420 -11.347 -2.385 1.00 0.00 O ATOM 823 CB GLU A 55 4.282 -10.351 -5.408 1.00 0.00 C ATOM 824 CG GLU A 55 3.852 -10.166 -6.869 1.00 0.00 C ATOM 825 CD GLU A 55 4.485 -11.236 -7.779 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.885 -12.328 -7.935 1.00 0.00 O ATOM 827 OE2 GLU A 55 5.581 -10.997 -8.340 1.00 0.00 O ATOM 0 H GLU A 55 3.199 -8.128 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 55 2.318 -10.778 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.113 -9.680 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.648 -11.368 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.766 -10.221 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.144 -9.174 -7.213 1.00 0.00 H new ATOM 834 N ALA A 56 4.357 -9.296 -2.452 1.00 0.00 N ATOM 835 CA ALA A 56 4.902 -9.293 -1.097 1.00 0.00 C ATOM 836 C ALA A 56 4.688 -7.919 -0.426 1.00 0.00 C ATOM 837 O ALA A 56 5.650 -7.191 -0.173 1.00 0.00 O ATOM 838 CB ALA A 56 6.378 -9.715 -1.185 1.00 0.00 C ATOM 0 H ALA A 56 4.565 -8.440 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 56 4.381 -10.006 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.814 -9.722 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.446 -10.713 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.921 -9.009 -1.813 1.00 0.00 H new ATOM 844 N PRO A 57 3.444 -7.550 -0.068 1.00 0.00 N ATOM 845 CA PRO A 57 3.162 -6.230 0.490 1.00 0.00 C ATOM 846 C PRO A 57 3.751 -6.071 1.897 1.00 0.00 C ATOM 847 O PRO A 57 4.182 -4.986 2.272 1.00 0.00 O ATOM 848 CB PRO A 57 1.639 -6.096 0.451 1.00 0.00 C ATOM 849 CG PRO A 57 1.143 -7.540 0.531 1.00 0.00 C ATOM 850 CD PRO A 57 2.215 -8.309 -0.241 1.00 0.00 C ATOM 0 HA PRO A 57 3.632 -5.430 -0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.269 -5.499 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.304 -5.608 -0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.062 -7.884 1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.158 -7.655 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.323 -9.323 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.953 -8.395 -1.295 1.00 0.00 H new ATOM 858 N HIS A 58 3.852 -7.165 2.661 1.00 0.00 N ATOM 859 CA HIS A 58 4.488 -7.191 3.983 1.00 0.00 C ATOM 860 C HIS A 58 6.021 -7.058 3.944 1.00 0.00 C ATOM 861 O HIS A 58 6.605 -6.658 4.949 1.00 0.00 O ATOM 862 CB HIS A 58 4.050 -8.467 4.726 1.00 0.00 C ATOM 863 CG HIS A 58 4.396 -9.752 4.007 1.00 0.00 C ATOM 864 ND1 HIS A 58 5.649 -10.340 3.944 1.00 0.00 N ATOM 865 CD2 HIS A 58 3.522 -10.533 3.302 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.538 -11.454 3.192 1.00 0.00 C ATOM 867 NE2 HIS A 58 4.255 -11.594 2.795 1.00 0.00 N ATOM 0 H HIS A 58 3.488 -8.073 2.373 1.00 0.00 H new ATOM 0 HA HIS A 58 4.149 -6.308 4.524 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.516 -8.478 5.711 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.972 -8.431 4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.465 -10.357 3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.346 -12.127 2.946 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.888 -12.352 2.220 1.00 0.00 H new ATOM 876 N SER A 59 6.697 -7.371 2.826 1.00 0.00 N ATOM 877 CA SER A 59 8.176 -7.380 2.758 1.00 0.00 C ATOM 878 C SER A 59 8.791 -5.983 2.920 1.00 0.00 C ATOM 879 O SER A 59 9.829 -5.828 3.566 1.00 0.00 O ATOM 880 CB SER A 59 8.684 -8.037 1.466 1.00 0.00 C ATOM 881 OG SER A 59 8.547 -7.177 0.348 1.00 0.00 O ATOM 0 H SER A 59 6.242 -7.624 1.948 1.00 0.00 H new ATOM 0 HA SER A 59 8.505 -7.981 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.732 -8.312 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.131 -8.959 1.285 1.00 0.00 H new ATOM 0 HG SER A 59 7.604 -7.130 0.085 1.00 0.00 H new ATOM 887 N VAL A 60 8.112 -4.953 2.399 1.00 0.00 N ATOM 888 CA VAL A 60 8.477 -3.527 2.538 1.00 0.00 C ATOM 889 C VAL A 60 8.159 -2.958 3.934 1.00 0.00 C ATOM 890 O VAL A 60 8.568 -1.842 4.255 1.00 0.00 O ATOM 891 CB VAL A 60 7.798 -2.664 1.449 1.00 0.00 C ATOM 892 CG1 VAL A 60 7.950 -3.270 0.046 1.00 0.00 C ATOM 893 CG2 VAL A 60 6.310 -2.415 1.729 1.00 0.00 C ATOM 0 H VAL A 60 7.264 -5.088 1.849 1.00 0.00 H new ATOM 0 HA VAL A 60 9.558 -3.482 2.407 1.00 0.00 H new ATOM 0 HB VAL A 60 8.320 -1.708 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.457 -2.627 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.008 -3.354 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.493 -4.259 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.887 -1.804 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.784 -3.368 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.201 -1.895 2.681 1.00 0.00 H new ATOM 903 N GLY A 61 7.420 -3.711 4.761 1.00 0.00 N ATOM 904 CA GLY A 61 6.948 -3.327 6.097 1.00 0.00 C ATOM 905 C GLY A 61 5.506 -2.796 6.155 1.00 0.00 C ATOM 906 O GLY A 61 5.056 -2.406 7.235 1.00 0.00 O ATOM 0 H GLY A 61 7.121 -4.651 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.026 -4.193 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.616 -2.563 6.495 1.00 0.00 H new ATOM 910 N LEU A 62 4.768 -2.770 5.033 1.00 0.00 N ATOM 911 CA LEU A 62 3.363 -2.341 4.994 1.00 0.00 C ATOM 912 C LEU A 62 2.427 -3.386 5.631 1.00 0.00 C ATOM 913 O LEU A 62 2.379 -4.541 5.200 1.00 0.00 O ATOM 914 CB LEU A 62 2.916 -2.049 3.547 1.00 0.00 C ATOM 915 CG LEU A 62 1.524 -1.371 3.499 1.00 0.00 C ATOM 916 CD1 LEU A 62 1.619 0.148 3.610 1.00 0.00 C ATOM 917 CD2 LEU A 62 0.751 -1.719 2.233 1.00 0.00 C ATOM 0 H LEU A 62 5.133 -3.048 4.122 1.00 0.00 H new ATOM 0 HA LEU A 62 3.294 -1.424 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.650 -1.405 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.886 -2.980 2.981 1.00 0.00 H new ATOM 0 HG LEU A 62 0.986 -1.762 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.619 0.579 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.093 0.415 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.213 0.537 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.217 -1.219 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.315 -1.390 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.601 -2.798 2.183 1.00 0.00 H new ATOM 929 N ARG A 63 1.657 -2.969 6.641 1.00 0.00 N ATOM 930 CA ARG A 63 0.617 -3.768 7.323 1.00 0.00 C ATOM 931 C ARG A 63 -0.549 -2.879 7.769 1.00 0.00 C ATOM 932 O ARG A 63 -0.399 -1.656 7.822 1.00 0.00 O ATOM 933 CB ARG A 63 1.226 -4.575 8.484 1.00 0.00 C ATOM 934 CG ARG A 63 1.890 -3.718 9.571 1.00 0.00 C ATOM 935 CD ARG A 63 2.467 -4.599 10.688 1.00 0.00 C ATOM 936 NE ARG A 63 3.817 -4.155 11.086 1.00 0.00 N ATOM 937 CZ ARG A 63 4.669 -4.810 11.854 1.00 0.00 C ATOM 938 NH1 ARG A 63 4.355 -5.934 12.432 1.00 0.00 N ATOM 939 NH2 ARG A 63 5.869 -4.344 12.054 1.00 0.00 N ATOM 0 H ARG A 63 1.739 -2.028 7.026 1.00 0.00 H new ATOM 0 HA ARG A 63 0.207 -4.490 6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.442 -5.178 8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.966 -5.267 8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.685 -3.116 9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.160 -3.025 9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.804 -4.572 11.553 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.508 -5.635 10.351 1.00 0.00 H new ATOM 0 HE ARG A 63 4.124 -3.249 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.427 -6.335 12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.037 -6.414 13.019 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.156 -3.468 11.616 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.522 -4.855 12.648 1.00 0.00 H new ATOM 953 N LYS A 64 -1.707 -3.467 8.094 1.00 0.00 N ATOM 954 CA LYS A 64 -2.859 -2.719 8.638 1.00 0.00 C ATOM 955 C LYS A 64 -2.487 -2.082 9.980 1.00 0.00 C ATOM 956 O LYS A 64 -1.906 -2.738 10.848 1.00 0.00 O ATOM 957 CB LYS A 64 -4.106 -3.607 8.797 1.00 0.00 C ATOM 958 CG LYS A 64 -4.771 -3.920 7.449 1.00 0.00 C ATOM 959 CD LYS A 64 -6.155 -4.552 7.644 1.00 0.00 C ATOM 960 CE LYS A 64 -6.729 -4.999 6.293 1.00 0.00 C ATOM 961 NZ LYS A 64 -8.017 -5.725 6.459 1.00 0.00 N ATOM 0 H LYS A 64 -1.876 -4.467 7.990 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.108 -1.937 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.826 -4.539 9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.824 -3.108 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.866 -3.004 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.137 -4.597 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.081 -5.407 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.828 -3.834 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.881 -4.128 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.010 -5.643 5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.376 -6.012 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.866 -6.569 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.710 -5.101 6.920 1.00 0.00 H new ATOM 975 N ALA A 65 -2.801 -0.798 10.133 1.00 0.00 N ATOM 976 CA ALA A 65 -2.621 -0.055 11.375 1.00 0.00 C ATOM 977 C ALA A 65 -3.758 -0.367 12.370 1.00 0.00 C ATOM 978 O ALA A 65 -4.731 -1.056 12.043 1.00 0.00 O ATOM 979 CB ALA A 65 -2.536 1.440 11.041 1.00 0.00 C ATOM 0 H ALA A 65 -3.196 -0.234 9.380 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.695 -0.357 11.863 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.401 2.011 11.960 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.690 1.617 10.376 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.456 1.756 10.549 1.00 0.00 H new ATOM 985 N LEU A 66 -3.632 0.146 13.594 1.00 0.00 N ATOM 986 CA LEU A 66 -4.572 -0.075 14.690 1.00 0.00 C ATOM 987 C LEU A 66 -4.561 1.101 15.680 1.00 0.00 C ATOM 988 O LEU A 66 -3.515 1.459 16.228 1.00 0.00 O ATOM 989 CB LEU A 66 -4.292 -1.428 15.381 1.00 0.00 C ATOM 990 CG LEU A 66 -2.829 -1.742 15.784 1.00 0.00 C ATOM 991 CD1 LEU A 66 -2.816 -2.735 16.948 1.00 0.00 C ATOM 992 CD2 LEU A 66 -2.012 -2.359 14.637 1.00 0.00 C ATOM 0 H LEU A 66 -2.849 0.745 13.857 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.580 -0.124 14.277 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.906 -1.479 16.280 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.634 -2.221 14.716 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.375 -0.790 16.060 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.786 -2.953 17.228 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.340 -2.303 17.800 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.313 -3.657 16.645 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.996 -2.557 14.979 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.477 -3.293 14.321 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.983 -1.665 13.797 1.00 0.00 H new ATOM 1004 N ALA A 67 -5.722 1.728 15.883 1.00 0.00 N ATOM 1005 CA ALA A 67 -5.905 2.795 16.870 1.00 0.00 C ATOM 1006 C ALA A 67 -5.784 2.257 18.320 1.00 0.00 C ATOM 1007 O ALA A 67 -5.991 1.057 18.554 1.00 0.00 O ATOM 1008 CB ALA A 67 -7.270 3.457 16.616 1.00 0.00 C ATOM 0 H ALA A 67 -6.570 1.507 15.361 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.116 3.539 16.759 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.427 4.256 17.341 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.291 3.872 15.608 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.060 2.713 16.719 1.00 0.00 H new ATOM 1014 N PRO A 68 -5.481 3.122 19.310 1.00 0.00 N ATOM 1015 CA PRO A 68 -5.418 2.735 20.721 1.00 0.00 C ATOM 1016 C PRO A 68 -6.807 2.405 21.304 1.00 0.00 C ATOM 1017 O PRO A 68 -7.849 2.745 20.736 1.00 0.00 O ATOM 1018 CB PRO A 68 -4.760 3.925 21.430 1.00 0.00 C ATOM 1019 CG PRO A 68 -5.160 5.119 20.566 1.00 0.00 C ATOM 1020 CD PRO A 68 -5.155 4.534 19.155 1.00 0.00 C ATOM 0 HA PRO A 68 -4.846 1.817 20.858 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.120 4.032 22.453 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.677 3.812 21.483 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.142 5.505 20.840 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.454 5.944 20.664 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.885 5.037 18.521 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.181 4.661 18.682 1.00 0.00 H new ATOM 1028 N GLU A 69 -6.818 1.753 22.468 1.00 0.00 N ATOM 1029 CA GLU A 69 -8.015 1.297 23.191 1.00 0.00 C ATOM 1030 C GLU A 69 -7.806 1.433 24.712 1.00 0.00 C ATOM 1031 O GLU A 69 -6.920 0.789 25.282 1.00 0.00 O ATOM 1032 CB GLU A 69 -8.348 -0.159 22.784 1.00 0.00 C ATOM 1033 CG GLU A 69 -9.656 -0.288 21.988 1.00 0.00 C ATOM 1034 CD GLU A 69 -10.874 -0.491 22.910 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -11.303 0.480 23.580 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -11.424 -1.621 22.957 1.00 0.00 O ATOM 0 H GLU A 69 -5.955 1.516 22.958 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.865 1.925 22.922 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.528 -0.558 22.187 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.416 -0.773 23.682 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.803 0.608 21.385 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.579 -1.128 21.298 1.00 0.00 H new ATOM 1043 N GLU A 70 -8.628 2.281 25.350 1.00 0.00 N ATOM 1044 CA GLU A 70 -8.633 2.662 26.786 1.00 0.00 C ATOM 1045 C GLU A 70 -7.408 3.462 27.294 1.00 0.00 C ATOM 1046 O GLU A 70 -7.530 4.085 28.375 1.00 0.00 O ATOM 1047 CB GLU A 70 -8.948 1.448 27.689 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.215 0.682 27.269 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.670 -0.321 28.354 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -11.230 0.107 29.395 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -10.492 -1.554 28.175 1.00 0.00 O ATOM 1052 OXT GLU A 70 -6.356 3.530 26.617 1.00 0.00 O ATOM 0 H GLU A 70 -9.370 2.761 24.840 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.445 3.385 26.861 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.099 0.765 27.675 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.064 1.791 28.717 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.019 1.391 27.071 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.024 0.148 26.338 1.00 0.00 H new TER 1059 GLU A 70