USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 540 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 15 HIS : no HE2:sc= -10.4! C(o=-10!,f=-15!) USER MOD Set 1.2: A 16 THR OG1 : rot 66:sc= 0.216 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 47:sc= 0.242 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00555 USER MOD Single : A 27 SER OG : rot 111:sc= 0.81 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0168) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 143:sc= -0.244 (180deg=-1.75) USER MOD Single : A 44 MET CE :methyl 160:sc= -0.104 (180deg=-0.555) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc=-0.00977 (180deg=-0.0581) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 7:sc= 0.13 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.778 -15.001 20.179 1.00 0.00 N ATOM 2 CA GLY A 1 -2.884 -14.062 20.213 1.00 0.00 C ATOM 3 C GLY A 1 -3.011 -13.269 18.927 1.00 0.00 C ATOM 4 O GLY A 1 -3.078 -13.843 17.840 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.734 -15.518 21.080 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.919 -15.675 19.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.888 -14.484 20.033 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.812 -14.605 20.395 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.748 -13.375 21.048 1.00 0.00 H new ATOM 8 N SER A 2 -3.047 -11.946 19.051 1.00 0.00 N ATOM 9 CA SER A 2 -3.173 -11.073 17.890 1.00 0.00 C ATOM 10 C SER A 2 -1.819 -10.860 17.220 1.00 0.00 C ATOM 11 O SER A 2 -1.697 -10.949 15.998 1.00 0.00 O ATOM 12 CB SER A 2 -3.769 -9.726 18.301 1.00 0.00 C ATOM 13 OG SER A 2 -3.623 -8.767 17.268 1.00 0.00 O ATOM 0 H SER A 2 -2.991 -11.455 19.944 1.00 0.00 H new ATOM 0 HA SER A 2 -3.840 -11.555 17.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.825 -9.850 18.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.278 -9.368 19.206 1.00 0.00 H new ATOM 0 HG SER A 2 -4.013 -7.915 17.555 1.00 0.00 H new ATOM 19 N SER A 3 -0.803 -10.579 18.030 1.00 0.00 N ATOM 20 CA SER A 3 0.542 -10.349 17.517 1.00 0.00 C ATOM 21 C SER A 3 1.537 -11.317 18.150 1.00 0.00 C ATOM 22 O SER A 3 1.345 -11.774 19.276 1.00 0.00 O ATOM 23 CB SER A 3 0.974 -8.906 17.787 1.00 0.00 C ATOM 24 OG SER A 3 2.041 -8.526 16.936 1.00 0.00 O ATOM 0 H SER A 3 -0.886 -10.505 19.044 1.00 0.00 H new ATOM 0 HA SER A 3 0.529 -10.521 16.441 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.128 -8.235 17.636 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.281 -8.803 18.828 1.00 0.00 H new ATOM 0 HG SER A 3 2.298 -7.600 17.127 1.00 0.00 H new ATOM 30 N GLY A 4 2.603 -11.625 17.416 1.00 0.00 N ATOM 31 CA GLY A 4 3.613 -12.536 17.921 1.00 0.00 C ATOM 32 C GLY A 4 4.986 -12.259 17.341 1.00 0.00 C ATOM 33 O GLY A 4 5.693 -11.364 17.804 1.00 0.00 O ATOM 0 H GLY A 4 2.784 -11.260 16.481 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.658 -12.457 19.007 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.323 -13.560 17.687 1.00 0.00 H new ATOM 37 N SER A 5 5.365 -13.029 16.327 1.00 0.00 N ATOM 38 CA SER A 5 6.665 -12.866 15.687 1.00 0.00 C ATOM 39 C SER A 5 6.726 -11.555 14.908 1.00 0.00 C ATOM 40 O SER A 5 5.701 -11.033 14.469 1.00 0.00 O ATOM 41 CB SER A 5 6.947 -14.042 14.750 1.00 0.00 C ATOM 42 OG SER A 5 6.130 -13.982 13.595 1.00 0.00 O ATOM 0 H SER A 5 4.790 -13.772 15.930 1.00 0.00 H new ATOM 0 HA SER A 5 7.426 -12.841 16.467 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.997 -14.034 14.457 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.770 -14.980 15.276 1.00 0.00 H new ATOM 0 HG SER A 5 6.331 -14.744 13.012 1.00 0.00 H new ATOM 48 N SER A 6 7.935 -11.029 14.741 1.00 0.00 N ATOM 49 CA SER A 6 8.131 -9.778 14.019 1.00 0.00 C ATOM 50 C SER A 6 7.891 -9.969 12.525 1.00 0.00 C ATOM 51 O SER A 6 8.581 -10.749 11.869 1.00 0.00 O ATOM 52 CB SER A 6 9.545 -9.243 14.256 1.00 0.00 C ATOM 53 OG SER A 6 9.778 -9.013 15.635 1.00 0.00 O ATOM 0 H SER A 6 8.794 -11.450 15.096 1.00 0.00 H new ATOM 0 HA SER A 6 7.409 -9.054 14.395 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.276 -9.956 13.874 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.684 -8.316 13.701 1.00 0.00 H new ATOM 0 HG SER A 6 10.689 -8.673 15.761 1.00 0.00 H new ATOM 59 N GLY A 7 6.908 -9.250 11.992 1.00 0.00 N ATOM 60 CA GLY A 7 6.593 -9.355 10.579 1.00 0.00 C ATOM 61 C GLY A 7 5.720 -8.215 10.093 1.00 0.00 C ATOM 62 O GLY A 7 6.052 -7.045 10.284 1.00 0.00 O ATOM 0 H GLY A 7 6.324 -8.596 12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.519 -9.370 10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.086 -10.302 10.392 1.00 0.00 H new ATOM 66 N PHE A 8 4.602 -8.556 9.462 1.00 0.00 N ATOM 67 CA PHE A 8 3.679 -7.552 8.945 1.00 0.00 C ATOM 68 C PHE A 8 2.260 -8.106 8.867 1.00 0.00 C ATOM 69 O PHE A 8 2.032 -9.183 8.315 1.00 0.00 O ATOM 70 CB PHE A 8 4.131 -7.079 7.562 1.00 0.00 C ATOM 71 CG PHE A 8 5.596 -6.757 7.487 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.054 -5.480 7.769 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.516 -7.732 7.135 1.00 0.00 C ATOM 74 CE1 PHE A 8 7.401 -5.180 7.701 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.864 -7.438 7.066 1.00 0.00 C ATOM 76 CZ PHE A 8 8.308 -6.161 7.348 1.00 0.00 C ATOM 0 H PHE A 8 4.313 -9.520 9.296 1.00 0.00 H new ATOM 0 HA PHE A 8 3.681 -6.705 9.631 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.899 -7.852 6.829 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.558 -6.194 7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.349 -4.710 8.045 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.175 -8.732 6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.744 -4.181 7.923 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.571 -8.207 6.791 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.361 -5.930 7.293 1.00 0.00 H new ATOM 86 N CYS A 9 1.310 -7.363 9.424 1.00 0.00 N ATOM 87 CA CYS A 9 -0.088 -7.780 9.419 1.00 0.00 C ATOM 88 C CYS A 9 -0.544 -8.136 8.008 1.00 0.00 C ATOM 89 O CYS A 9 -1.152 -9.183 7.787 1.00 0.00 O ATOM 90 CB CYS A 9 -0.974 -6.672 9.991 1.00 0.00 C ATOM 91 SG CYS A 9 -2.680 -7.181 10.306 1.00 0.00 S ATOM 0 H CYS A 9 1.482 -6.469 9.885 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.179 -8.668 10.045 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.535 -6.315 10.922 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.979 -5.831 9.298 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.350 -6.178 10.790 1.00 0.00 H new ATOM 97 N GLY A 10 -0.248 -7.256 7.056 1.00 0.00 N ATOM 98 CA GLY A 10 -0.637 -7.495 5.679 1.00 0.00 C ATOM 99 C GLY A 10 0.034 -6.539 4.713 1.00 0.00 C ATOM 100 O GLY A 10 0.490 -5.466 5.107 1.00 0.00 O ATOM 0 H GLY A 10 0.254 -6.382 7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.384 -8.520 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.719 -7.399 5.588 1.00 0.00 H new ATOM 104 N ARG A 11 0.096 -6.929 3.444 1.00 0.00 N ATOM 105 CA ARG A 11 0.719 -6.100 2.419 1.00 0.00 C ATOM 106 C ARG A 11 -0.325 -5.568 1.441 1.00 0.00 C ATOM 107 O ARG A 11 -1.411 -6.131 1.310 1.00 0.00 O ATOM 108 CB ARG A 11 1.782 -6.899 1.663 1.00 0.00 C ATOM 109 CG ARG A 11 1.249 -8.173 1.027 1.00 0.00 C ATOM 110 CD ARG A 11 2.379 -9.089 0.584 1.00 0.00 C ATOM 111 NE ARG A 11 2.822 -9.971 1.660 1.00 0.00 N ATOM 112 CZ ARG A 11 4.058 -10.449 1.757 1.00 0.00 C ATOM 113 NH1 ARG A 11 4.968 -10.131 0.847 1.00 0.00 N ATOM 114 NH2 ARG A 11 4.385 -11.246 2.766 1.00 0.00 N ATOM 0 H ARG A 11 -0.278 -7.814 3.101 1.00 0.00 H new ATOM 0 HA ARG A 11 1.194 -5.252 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.214 -6.268 0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.588 -7.156 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.612 -8.697 1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.627 -7.920 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.048 -9.689 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.220 -8.487 0.239 1.00 0.00 H new ATOM 0 HE ARG A 11 2.146 -10.235 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.720 -9.518 0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.916 -10.499 0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.687 -11.492 3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.334 -11.612 2.840 1.00 0.00 H new ATOM 128 N ALA A 12 0.013 -4.480 0.757 1.00 0.00 N ATOM 129 CA ALA A 12 -0.893 -3.874 -0.210 1.00 0.00 C ATOM 130 C ALA A 12 -0.151 -3.467 -1.479 1.00 0.00 C ATOM 131 O ALA A 12 0.993 -3.017 -1.422 1.00 0.00 O ATOM 132 CB ALA A 12 -1.591 -2.670 0.404 1.00 0.00 C ATOM 0 H ALA A 12 0.908 -4.000 0.855 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.643 -4.616 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.265 -2.227 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.162 -2.986 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.847 -1.933 0.705 1.00 0.00 H new ATOM 138 N ARG A 13 -0.809 -3.629 -2.622 1.00 0.00 N ATOM 139 CA ARG A 13 -0.210 -3.280 -3.904 1.00 0.00 C ATOM 140 C ARG A 13 -0.564 -1.849 -4.298 1.00 0.00 C ATOM 141 O ARG A 13 -1.670 -1.377 -4.035 1.00 0.00 O ATOM 142 CB ARG A 13 -0.678 -4.250 -4.991 1.00 0.00 C ATOM 143 CG ARG A 13 -0.062 -3.982 -6.354 1.00 0.00 C ATOM 144 CD ARG A 13 -0.739 -4.800 -7.442 1.00 0.00 C ATOM 145 NE ARG A 13 -2.035 -4.244 -7.819 1.00 0.00 N ATOM 146 CZ ARG A 13 -2.789 -4.733 -8.797 1.00 0.00 C ATOM 147 NH1 ARG A 13 -2.376 -5.783 -9.494 1.00 0.00 N ATOM 148 NH2 ARG A 13 -3.957 -4.172 -9.080 1.00 0.00 N ATOM 0 H ARG A 13 -1.757 -4.000 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 13 0.873 -3.354 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.436 -5.268 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.763 -4.192 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.145 -2.921 -6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.001 -4.220 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.093 -4.841 -8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.871 -5.825 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.381 -3.435 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.478 -6.216 -9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.956 -6.157 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.277 -3.364 -8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.535 -4.549 -9.831 1.00 0.00 H new ATOM 162 N VAL A 14 0.383 -1.163 -4.930 1.00 0.00 N ATOM 163 CA VAL A 14 0.171 0.213 -5.361 1.00 0.00 C ATOM 164 C VAL A 14 -0.394 0.266 -6.776 1.00 0.00 C ATOM 165 O VAL A 14 0.300 -0.046 -7.745 1.00 0.00 O ATOM 166 CB VAL A 14 1.480 1.024 -5.313 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.293 2.380 -5.976 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.953 1.185 -3.876 1.00 0.00 C ATOM 0 H VAL A 14 1.305 -1.538 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.547 0.653 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 14 2.246 0.479 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.228 2.938 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.003 2.239 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.514 2.936 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.879 1.760 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.191 1.708 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.129 0.202 -3.439 1.00 0.00 H new ATOM 178 N HIS A 15 -1.658 0.662 -6.889 1.00 0.00 N ATOM 179 CA HIS A 15 -2.316 0.756 -8.187 1.00 0.00 C ATOM 180 C HIS A 15 -2.270 2.186 -8.717 1.00 0.00 C ATOM 181 O HIS A 15 -2.293 2.413 -9.927 1.00 0.00 O ATOM 182 CB HIS A 15 -3.767 0.286 -8.081 1.00 0.00 C ATOM 183 CG HIS A 15 -4.491 0.836 -6.891 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.428 1.844 -6.980 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.411 0.513 -5.579 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.892 2.118 -5.774 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.292 1.324 -4.906 1.00 0.00 N ATOM 0 H HIS A 15 -2.247 0.923 -6.098 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.782 0.111 -8.885 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.301 0.576 -8.986 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.785 -0.803 -8.035 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -5.717 2.306 -7.842 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.773 -0.242 -5.143 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.636 2.865 -5.538 1.00 0.00 H new ATOM 195 N THR A 16 -2.207 3.150 -7.802 1.00 0.00 N ATOM 196 CA THR A 16 -2.160 4.557 -8.177 1.00 0.00 C ATOM 197 C THR A 16 -0.814 5.177 -7.818 1.00 0.00 C ATOM 198 O THR A 16 -0.425 5.205 -6.651 1.00 0.00 O ATOM 199 CB THR A 16 -3.281 5.359 -7.490 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.560 4.853 -7.888 1.00 0.00 O ATOM 201 CG2 THR A 16 -3.183 6.836 -7.841 1.00 0.00 C ATOM 0 H THR A 16 -2.187 2.981 -6.796 1.00 0.00 H new ATOM 0 HA THR A 16 -2.301 4.601 -9.257 1.00 0.00 H new ATOM 0 HB THR A 16 -3.167 5.250 -6.412 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.674 3.943 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.985 7.382 -7.344 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.220 7.225 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.274 6.960 -8.920 1.00 0.00 H new ATOM 209 N ASP A 17 -0.109 5.673 -8.829 1.00 0.00 N ATOM 210 CA ASP A 17 1.194 6.295 -8.619 1.00 0.00 C ATOM 211 C ASP A 17 1.045 7.650 -7.934 1.00 0.00 C ATOM 212 O ASP A 17 0.043 8.342 -8.115 1.00 0.00 O ATOM 213 CB ASP A 17 1.924 6.461 -9.952 1.00 0.00 C ATOM 214 CG ASP A 17 2.888 7.631 -9.943 1.00 0.00 C ATOM 215 OD1 ASP A 17 2.417 8.788 -9.982 1.00 0.00 O ATOM 216 OD2 ASP A 17 4.112 7.391 -9.896 1.00 0.00 O ATOM 0 H ASP A 17 -0.417 5.657 -9.801 1.00 0.00 H new ATOM 0 HA ASP A 17 1.780 5.643 -7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.470 5.546 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.193 6.603 -10.748 1.00 0.00 H new ATOM 221 N PHE A 18 2.048 8.022 -7.146 1.00 0.00 N ATOM 222 CA PHE A 18 2.029 9.293 -6.432 1.00 0.00 C ATOM 223 C PHE A 18 3.443 9.734 -6.066 1.00 0.00 C ATOM 224 O PHE A 18 4.199 8.984 -5.447 1.00 0.00 O ATOM 225 CB PHE A 18 1.175 9.179 -5.167 1.00 0.00 C ATOM 226 CG PHE A 18 1.511 10.204 -4.122 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.573 10.005 -3.254 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.767 11.366 -4.008 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.884 10.946 -2.291 1.00 0.00 C ATOM 230 CE2 PHE A 18 1.074 12.311 -3.047 1.00 0.00 C ATOM 231 CZ PHE A 18 2.135 12.101 -2.188 1.00 0.00 C ATOM 0 H PHE A 18 2.885 7.461 -6.986 1.00 0.00 H new ATOM 0 HA PHE A 18 1.593 10.044 -7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.124 9.279 -5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.301 8.183 -4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.164 9.104 -3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.063 11.536 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.713 10.778 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.485 13.213 -2.968 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.378 12.839 -1.438 1.00 0.00 H new ATOM 241 N THR A 19 3.795 10.956 -6.454 1.00 0.00 N ATOM 242 CA THR A 19 5.118 11.497 -6.170 1.00 0.00 C ATOM 243 C THR A 19 5.031 12.702 -5.240 1.00 0.00 C ATOM 244 O THR A 19 4.682 13.809 -5.651 1.00 0.00 O ATOM 245 CB THR A 19 5.845 11.911 -7.463 1.00 0.00 C ATOM 246 OG1 THR A 19 4.974 12.698 -8.284 1.00 0.00 O ATOM 247 CG2 THR A 19 6.313 10.688 -8.236 1.00 0.00 C ATOM 0 H THR A 19 3.181 11.590 -6.966 1.00 0.00 H new ATOM 0 HA THR A 19 5.685 10.705 -5.681 1.00 0.00 H new ATOM 0 HB THR A 19 6.718 12.503 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.543 13.388 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.824 11.006 -9.145 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.999 10.108 -7.619 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.453 10.073 -8.499 1.00 0.00 H new ATOM 255 N PRO A 20 5.356 12.485 -3.957 1.00 0.00 N ATOM 256 CA PRO A 20 5.323 13.543 -2.943 1.00 0.00 C ATOM 257 C PRO A 20 6.424 14.578 -3.149 1.00 0.00 C ATOM 258 O PRO A 20 7.383 14.340 -3.883 1.00 0.00 O ATOM 259 CB PRO A 20 5.542 12.784 -1.631 1.00 0.00 C ATOM 260 CG PRO A 20 6.280 11.552 -2.026 1.00 0.00 C ATOM 261 CD PRO A 20 5.781 11.191 -3.398 1.00 0.00 C ATOM 0 HA PRO A 20 4.392 14.108 -2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.116 13.379 -0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.594 12.541 -1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.356 11.728 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.096 10.743 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.563 10.730 -4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.954 10.482 -3.351 1.00 0.00 H new ATOM 269 N SER A 21 6.280 15.727 -2.496 1.00 0.00 N ATOM 270 CA SER A 21 7.261 16.800 -2.610 1.00 0.00 C ATOM 271 C SER A 21 8.665 16.286 -2.306 1.00 0.00 C ATOM 272 O SER A 21 8.854 15.325 -1.561 1.00 0.00 O ATOM 273 CB SER A 21 6.908 17.946 -1.661 1.00 0.00 C ATOM 274 OG SER A 21 5.579 18.392 -1.872 1.00 0.00 O ATOM 0 H SER A 21 5.493 15.939 -1.882 1.00 0.00 H new ATOM 0 HA SER A 21 7.242 17.169 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.025 17.616 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.601 18.774 -1.812 1.00 0.00 H new ATOM 0 HG SER A 21 5.377 19.124 -1.252 1.00 0.00 H new ATOM 280 N PRO A 22 9.675 16.943 -2.896 1.00 0.00 N ATOM 281 CA PRO A 22 11.080 16.573 -2.703 1.00 0.00 C ATOM 282 C PRO A 22 11.573 16.882 -1.293 1.00 0.00 C ATOM 283 O PRO A 22 12.482 16.225 -0.785 1.00 0.00 O ATOM 284 CB PRO A 22 11.819 17.436 -3.729 1.00 0.00 C ATOM 285 CG PRO A 22 10.929 18.610 -3.946 1.00 0.00 C ATOM 286 CD PRO A 22 9.523 18.098 -3.796 1.00 0.00 C ATOM 0 HA PRO A 22 11.240 15.503 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.796 17.743 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.988 16.890 -4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.137 19.397 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.084 19.040 -4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.863 18.854 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.097 17.806 -4.756 1.00 0.00 H new ATOM 294 N TYR A 23 10.968 17.884 -0.667 1.00 0.00 N ATOM 295 CA TYR A 23 11.347 18.281 0.684 1.00 0.00 C ATOM 296 C TYR A 23 10.763 17.323 1.718 1.00 0.00 C ATOM 297 O TYR A 23 11.385 17.043 2.743 1.00 0.00 O ATOM 298 CB TYR A 23 10.874 19.708 0.971 1.00 0.00 C ATOM 299 CG TYR A 23 11.390 20.727 -0.020 1.00 0.00 C ATOM 300 CD1 TYR A 23 12.719 21.130 -0.003 1.00 0.00 C ATOM 301 CD2 TYR A 23 10.548 21.286 -0.973 1.00 0.00 C ATOM 302 CE1 TYR A 23 13.195 22.062 -0.906 1.00 0.00 C ATOM 303 CE2 TYR A 23 11.015 22.217 -1.881 1.00 0.00 C ATOM 304 CZ TYR A 23 12.339 22.602 -1.843 1.00 0.00 C ATOM 305 OH TYR A 23 12.808 23.530 -2.744 1.00 0.00 O ATOM 0 H TYR A 23 10.213 18.437 -1.073 1.00 0.00 H new ATOM 0 HA TYR A 23 12.434 18.244 0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.784 19.729 0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.194 19.993 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.392 20.708 0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.510 20.988 -1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.231 22.366 -0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.347 22.641 -2.616 1.00 0.00 H new ATOM 0 HH TYR A 23 12.078 23.809 -3.335 1.00 0.00 H new ATOM 315 N ASP A 24 9.563 16.823 1.441 1.00 0.00 N ATOM 316 CA ASP A 24 8.894 15.895 2.344 1.00 0.00 C ATOM 317 C ASP A 24 9.453 14.484 2.186 1.00 0.00 C ATOM 318 O ASP A 24 9.206 13.815 1.182 1.00 0.00 O ATOM 319 CB ASP A 24 7.387 15.892 2.083 1.00 0.00 C ATOM 320 CG ASP A 24 6.591 15.435 3.289 1.00 0.00 C ATOM 321 OD1 ASP A 24 7.085 15.603 4.424 1.00 0.00 O ATOM 322 OD2 ASP A 24 5.474 14.910 3.099 1.00 0.00 O ATOM 0 H ASP A 24 9.034 17.045 0.598 1.00 0.00 H new ATOM 0 HA ASP A 24 9.077 16.227 3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.068 16.895 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.169 15.238 1.239 1.00 0.00 H new ATOM 327 N THR A 25 10.211 14.037 3.183 1.00 0.00 N ATOM 328 CA THR A 25 10.807 12.708 3.154 1.00 0.00 C ATOM 329 C THR A 25 9.866 11.670 3.754 1.00 0.00 C ATOM 330 O THR A 25 9.707 10.575 3.213 1.00 0.00 O ATOM 331 CB THR A 25 12.144 12.675 3.918 1.00 0.00 C ATOM 332 OG1 THR A 25 11.943 13.088 5.274 1.00 0.00 O ATOM 333 CG2 THR A 25 13.169 13.581 3.253 1.00 0.00 C ATOM 0 H THR A 25 10.426 14.577 4.021 1.00 0.00 H new ATOM 0 HA THR A 25 10.989 12.466 2.107 1.00 0.00 H new ATOM 0 HB THR A 25 12.522 11.653 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.797 13.063 5.754 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.105 13.542 3.810 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.341 13.246 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.796 14.605 3.242 1.00 0.00 H new ATOM 341 N ASP A 26 9.243 12.020 4.874 1.00 0.00 N ATOM 342 CA ASP A 26 8.316 11.119 5.547 1.00 0.00 C ATOM 343 C ASP A 26 7.396 10.435 4.541 1.00 0.00 C ATOM 344 O ASP A 26 7.253 9.212 4.547 1.00 0.00 O ATOM 345 CB ASP A 26 7.485 11.884 6.578 1.00 0.00 C ATOM 346 CG ASP A 26 8.330 12.433 7.711 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.882 11.623 8.485 1.00 0.00 O ATOM 348 OD2 ASP A 26 8.439 13.671 7.824 1.00 0.00 O ATOM 0 H ASP A 26 9.364 12.922 5.335 1.00 0.00 H new ATOM 0 HA ASP A 26 8.900 10.353 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.966 12.706 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.720 11.223 6.986 1.00 0.00 H new ATOM 353 N SER A 27 6.773 11.232 3.679 1.00 0.00 N ATOM 354 CA SER A 27 5.863 10.704 2.669 1.00 0.00 C ATOM 355 C SER A 27 6.589 9.740 1.735 1.00 0.00 C ATOM 356 O SER A 27 7.466 10.141 0.969 1.00 0.00 O ATOM 357 CB SER A 27 5.245 11.846 1.862 1.00 0.00 C ATOM 358 OG SER A 27 4.166 12.440 2.563 1.00 0.00 O ATOM 0 H SER A 27 6.882 12.246 3.660 1.00 0.00 H new ATOM 0 HA SER A 27 5.069 10.159 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.004 12.599 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.895 11.469 0.901 1.00 0.00 H new ATOM 0 HG SER A 27 4.415 13.347 2.838 1.00 0.00 H new ATOM 364 N LEU A 28 6.216 8.467 1.803 1.00 0.00 N ATOM 365 CA LEU A 28 6.830 7.444 0.963 1.00 0.00 C ATOM 366 C LEU A 28 6.423 7.620 -0.496 1.00 0.00 C ATOM 367 O LEU A 28 5.385 8.211 -0.795 1.00 0.00 O ATOM 368 CB LEU A 28 6.432 6.050 1.451 1.00 0.00 C ATOM 369 CG LEU A 28 6.746 5.735 2.914 1.00 0.00 C ATOM 370 CD1 LEU A 28 5.775 4.698 3.458 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.182 5.252 3.060 1.00 0.00 C ATOM 0 H LEU A 28 5.492 8.118 2.431 1.00 0.00 H new ATOM 0 HA LEU A 28 7.912 7.552 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.360 5.925 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.933 5.311 0.826 1.00 0.00 H new ATOM 0 HG LEU A 28 6.631 6.650 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.014 4.487 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.757 5.082 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.857 3.781 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.387 5.033 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.325 4.349 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.864 6.028 2.711 1.00 0.00 H new ATOM 383 N LYS A 29 7.246 7.102 -1.401 1.00 0.00 N ATOM 384 CA LYS A 29 6.971 7.199 -2.830 1.00 0.00 C ATOM 385 C LYS A 29 6.136 6.013 -3.304 1.00 0.00 C ATOM 386 O LYS A 29 6.521 4.858 -3.124 1.00 0.00 O ATOM 387 CB LYS A 29 8.280 7.262 -3.619 1.00 0.00 C ATOM 388 CG LYS A 29 8.118 7.821 -5.022 1.00 0.00 C ATOM 389 CD LYS A 29 9.376 8.538 -5.485 1.00 0.00 C ATOM 390 CE LYS A 29 10.489 7.556 -5.813 1.00 0.00 C ATOM 391 NZ LYS A 29 11.837 8.158 -5.615 1.00 0.00 N ATOM 0 H LYS A 29 8.109 6.610 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 29 6.404 8.114 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.995 7.877 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.705 6.260 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.885 7.011 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.275 8.512 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.150 9.140 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.712 9.224 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.390 6.672 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.388 7.224 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.568 7.457 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.941 8.987 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.944 8.451 -4.623 1.00 0.00 H new ATOM 405 N LEU A 30 4.992 6.307 -3.913 1.00 0.00 N ATOM 406 CA LEU A 30 4.103 5.266 -4.415 1.00 0.00 C ATOM 407 C LEU A 30 4.192 5.160 -5.934 1.00 0.00 C ATOM 408 O LEU A 30 4.212 6.170 -6.638 1.00 0.00 O ATOM 409 CB LEU A 30 2.660 5.553 -3.996 1.00 0.00 C ATOM 410 CG LEU A 30 2.437 5.844 -2.512 1.00 0.00 C ATOM 411 CD1 LEU A 30 0.996 6.256 -2.259 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.803 4.630 -1.670 1.00 0.00 C ATOM 0 H LEU A 30 4.659 7.258 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 30 4.417 4.316 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.299 6.406 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.045 4.697 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 30 3.085 6.671 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.857 6.459 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.768 7.154 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.328 5.451 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.638 4.855 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.181 3.784 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.852 4.381 -1.828 1.00 0.00 H new ATOM 424 N LYS A 31 4.243 3.930 -6.434 1.00 0.00 N ATOM 425 CA LYS A 31 4.326 3.690 -7.870 1.00 0.00 C ATOM 426 C LYS A 31 3.587 2.411 -8.252 1.00 0.00 C ATOM 427 O LYS A 31 3.558 1.446 -7.487 1.00 0.00 O ATOM 428 CB LYS A 31 5.789 3.596 -8.308 1.00 0.00 C ATOM 429 CG LYS A 31 5.969 3.518 -9.814 1.00 0.00 C ATOM 430 CD LYS A 31 6.087 4.900 -10.434 1.00 0.00 C ATOM 431 CE LYS A 31 6.229 4.822 -11.947 1.00 0.00 C ATOM 432 NZ LYS A 31 6.088 6.160 -12.587 1.00 0.00 N ATOM 0 H LYS A 31 4.228 3.083 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 31 3.853 4.528 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.329 4.464 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.241 2.716 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.862 2.937 -10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.123 2.991 -10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.207 5.490 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.949 5.417 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.202 4.399 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.474 4.146 -12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.191 6.065 -13.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.150 6.553 -12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.824 6.798 -12.223 1.00 0.00 H new ATOM 446 N LYS A 32 2.992 2.409 -9.439 1.00 0.00 N ATOM 447 CA LYS A 32 2.255 1.248 -9.925 1.00 0.00 C ATOM 448 C LYS A 32 3.140 0.006 -9.932 1.00 0.00 C ATOM 449 O LYS A 32 4.005 -0.146 -10.793 1.00 0.00 O ATOM 450 CB LYS A 32 1.717 1.512 -11.333 1.00 0.00 C ATOM 451 CG LYS A 32 0.543 0.626 -11.711 1.00 0.00 C ATOM 452 CD LYS A 32 -0.300 1.255 -12.808 1.00 0.00 C ATOM 453 CE LYS A 32 -1.206 0.230 -13.472 1.00 0.00 C ATOM 454 NZ LYS A 32 -0.457 -0.642 -14.419 1.00 0.00 N ATOM 0 H LYS A 32 3.005 3.199 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 32 1.417 1.072 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.412 2.556 -11.407 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.521 1.363 -12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.911 -0.344 -12.045 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.077 0.447 -10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.905 2.059 -12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.352 1.705 -13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.679 -0.386 -12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.005 0.744 -14.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.126 -1.246 -14.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.070 -0.051 -15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.209 -1.239 -13.888 1.00 0.00 H new ATOM 468 N GLY A 33 2.916 -0.880 -8.966 1.00 0.00 N ATOM 469 CA GLY A 33 3.700 -2.099 -8.881 1.00 0.00 C ATOM 470 C GLY A 33 4.382 -2.256 -7.537 1.00 0.00 C ATOM 471 O GLY A 33 4.506 -3.367 -7.022 1.00 0.00 O ATOM 0 H GLY A 33 2.206 -0.776 -8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.052 -2.957 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.453 -2.099 -9.669 1.00 0.00 H new ATOM 475 N ASP A 34 4.828 -1.141 -6.967 1.00 0.00 N ATOM 476 CA ASP A 34 5.502 -1.160 -5.674 1.00 0.00 C ATOM 477 C ASP A 34 4.609 -1.781 -4.605 1.00 0.00 C ATOM 478 O ASP A 34 3.401 -1.546 -4.577 1.00 0.00 O ATOM 479 CB ASP A 34 5.901 0.258 -5.263 1.00 0.00 C ATOM 480 CG ASP A 34 7.308 0.614 -5.700 1.00 0.00 C ATOM 481 OD1 ASP A 34 8.264 0.230 -4.995 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.453 1.275 -6.750 1.00 0.00 O ATOM 0 H ASP A 34 4.735 -0.213 -7.380 1.00 0.00 H new ATOM 0 HA ASP A 34 6.401 -1.769 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.198 0.970 -5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.825 0.354 -4.180 1.00 0.00 H new ATOM 487 N ILE A 35 5.212 -2.576 -3.727 1.00 0.00 N ATOM 488 CA ILE A 35 4.471 -3.231 -2.656 1.00 0.00 C ATOM 489 C ILE A 35 4.692 -2.524 -1.323 1.00 0.00 C ATOM 490 O ILE A 35 5.786 -2.033 -1.043 1.00 0.00 O ATOM 491 CB ILE A 35 4.877 -4.710 -2.513 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.719 -5.436 -3.851 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.043 -5.386 -1.436 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.283 -5.543 -4.315 1.00 0.00 C ATOM 0 H ILE A 35 6.211 -2.782 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 35 3.416 -3.177 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 35 5.925 -4.757 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.299 -4.912 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.140 -6.438 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.342 -6.431 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.201 -4.881 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.988 -5.332 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.247 -6.069 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.702 -6.093 -3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.864 -4.544 -4.435 1.00 0.00 H new ATOM 506 N ILE A 36 3.647 -2.479 -0.503 1.00 0.00 N ATOM 507 CA ILE A 36 3.728 -1.835 0.802 1.00 0.00 C ATOM 508 C ILE A 36 3.379 -2.812 1.919 1.00 0.00 C ATOM 509 O ILE A 36 2.500 -3.659 1.764 1.00 0.00 O ATOM 510 CB ILE A 36 2.790 -0.617 0.888 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.094 0.370 -0.241 1.00 0.00 C ATOM 512 CG2 ILE A 36 2.925 0.061 2.243 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.118 1.523 -0.316 1.00 0.00 C ATOM 0 H ILE A 36 2.735 -2.881 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 36 4.758 -1.499 0.925 1.00 0.00 H new ATOM 0 HB ILE A 36 1.762 -0.961 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.101 0.765 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.086 -0.164 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.256 0.920 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.663 -0.645 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.953 0.395 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.395 2.182 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.112 1.138 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.142 2.082 0.620 1.00 0.00 H new ATOM 525 N ASP A 37 4.071 -2.686 3.046 1.00 0.00 N ATOM 526 CA ASP A 37 3.833 -3.556 4.192 1.00 0.00 C ATOM 527 C ASP A 37 3.069 -2.816 5.286 1.00 0.00 C ATOM 528 O ASP A 37 3.645 -2.020 6.028 1.00 0.00 O ATOM 529 CB ASP A 37 5.158 -4.082 4.744 1.00 0.00 C ATOM 530 CG ASP A 37 5.665 -5.290 3.982 1.00 0.00 C ATOM 531 OD1 ASP A 37 4.991 -6.341 4.020 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.735 -5.185 3.346 1.00 0.00 O ATOM 0 H ASP A 37 4.802 -1.989 3.191 1.00 0.00 H new ATOM 0 HA ASP A 37 3.228 -4.399 3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.906 -3.290 4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.032 -4.346 5.794 1.00 0.00 H new ATOM 537 N ILE A 38 1.771 -3.083 5.377 1.00 0.00 N ATOM 538 CA ILE A 38 0.929 -2.443 6.380 1.00 0.00 C ATOM 539 C ILE A 38 1.444 -2.719 7.789 1.00 0.00 C ATOM 540 O ILE A 38 1.399 -3.853 8.266 1.00 0.00 O ATOM 541 CB ILE A 38 -0.532 -2.921 6.277 1.00 0.00 C ATOM 542 CG1 ILE A 38 -1.124 -2.534 4.921 1.00 0.00 C ATOM 543 CG2 ILE A 38 -1.362 -2.334 7.410 1.00 0.00 C ATOM 544 CD1 ILE A 38 -2.525 -3.059 4.701 1.00 0.00 C ATOM 0 H ILE A 38 1.279 -3.738 4.769 1.00 0.00 H new ATOM 0 HA ILE A 38 0.967 -1.371 6.186 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.550 -4.007 6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.134 -1.447 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.475 -2.910 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.392 -2.681 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.950 -2.655 8.367 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.339 -1.246 7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.881 -2.746 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.518 -4.148 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.187 -2.662 5.470 1.00 0.00 H new ATOM 556 N ILE A 39 1.933 -1.675 8.449 1.00 0.00 N ATOM 557 CA ILE A 39 2.454 -1.805 9.804 1.00 0.00 C ATOM 558 C ILE A 39 1.406 -1.404 10.837 1.00 0.00 C ATOM 559 O ILE A 39 1.160 -2.129 11.801 1.00 0.00 O ATOM 560 CB ILE A 39 3.715 -0.944 10.008 1.00 0.00 C ATOM 561 CG1 ILE A 39 4.803 -1.352 9.013 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.219 -1.073 11.437 1.00 0.00 C ATOM 563 CD1 ILE A 39 5.994 -0.420 9.004 1.00 0.00 C ATOM 0 H ILE A 39 1.979 -0.730 8.068 1.00 0.00 H new ATOM 0 HA ILE A 39 2.714 -2.854 9.942 1.00 0.00 H new ATOM 0 HB ILE A 39 3.458 0.100 9.828 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.143 -2.360 9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.373 -1.389 8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.110 -0.459 11.565 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.445 -0.738 12.127 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.463 -2.115 11.644 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.725 -0.771 8.275 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.668 0.585 8.736 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.449 -0.401 9.994 1.00 0.00 H new ATOM 575 N SER A 40 0.791 -0.244 10.628 1.00 0.00 N ATOM 576 CA SER A 40 -0.230 0.255 11.542 1.00 0.00 C ATOM 577 C SER A 40 -1.331 0.986 10.780 1.00 0.00 C ATOM 578 O SER A 40 -1.058 1.865 9.963 1.00 0.00 O ATOM 579 CB SER A 40 0.396 1.190 12.578 1.00 0.00 C ATOM 580 OG SER A 40 -0.541 1.541 13.582 1.00 0.00 O ATOM 0 H SER A 40 0.982 0.367 9.834 1.00 0.00 H new ATOM 0 HA SER A 40 -0.673 -0.599 12.054 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.259 0.706 13.035 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.760 2.091 12.085 1.00 0.00 H new ATOM 0 HG SER A 40 -0.115 2.138 14.233 1.00 0.00 H new ATOM 586 N LYS A 41 -2.577 0.616 11.054 1.00 0.00 N ATOM 587 CA LYS A 41 -3.722 1.236 10.397 1.00 0.00 C ATOM 588 C LYS A 41 -4.636 1.909 11.416 1.00 0.00 C ATOM 589 O LYS A 41 -5.420 1.259 12.108 1.00 0.00 O ATOM 590 CB LYS A 41 -4.509 0.190 9.604 1.00 0.00 C ATOM 591 CG LYS A 41 -3.707 -0.455 8.486 1.00 0.00 C ATOM 592 CD LYS A 41 -4.608 -0.939 7.362 1.00 0.00 C ATOM 593 CE LYS A 41 -5.278 -2.259 7.714 1.00 0.00 C ATOM 594 NZ LYS A 41 -6.401 -2.072 8.675 1.00 0.00 N ATOM 0 H LYS A 41 -2.820 -0.111 11.727 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.348 1.997 9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.855 -0.586 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.396 0.660 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.987 0.262 8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.137 -1.294 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.369 -0.187 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.022 -1.059 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.652 -2.730 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.541 -2.937 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.172 -2.730 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.066 -2.261 9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.750 -1.094 8.615 1.00 0.00 H new ATOM 608 N PRO A 42 -4.535 3.243 11.512 1.00 0.00 N ATOM 609 CA PRO A 42 -5.347 4.034 12.442 1.00 0.00 C ATOM 610 C PRO A 42 -6.817 4.075 12.038 1.00 0.00 C ATOM 611 O PRO A 42 -7.192 3.693 10.929 1.00 0.00 O ATOM 612 CB PRO A 42 -4.728 5.431 12.353 1.00 0.00 C ATOM 613 CG PRO A 42 -4.097 5.481 11.005 1.00 0.00 C ATOM 614 CD PRO A 42 -3.622 4.083 10.718 1.00 0.00 C ATOM 0 HA PRO A 42 -5.341 3.614 13.448 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.485 6.207 12.465 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.991 5.588 13.141 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.812 5.813 10.252 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.266 6.186 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.682 3.848 9.655 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.583 3.942 11.017 1.00 0.00 H new ATOM 622 N PRO A 43 -7.671 4.549 12.958 1.00 0.00 N ATOM 623 CA PRO A 43 -9.113 4.652 12.719 1.00 0.00 C ATOM 624 C PRO A 43 -9.457 5.734 11.700 1.00 0.00 C ATOM 625 O PRO A 43 -10.381 5.577 10.903 1.00 0.00 O ATOM 626 CB PRO A 43 -9.675 5.017 14.096 1.00 0.00 C ATOM 627 CG PRO A 43 -8.546 5.686 14.800 1.00 0.00 C ATOM 628 CD PRO A 43 -7.293 5.022 14.300 1.00 0.00 C ATOM 0 HA PRO A 43 -9.524 3.731 12.305 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.536 5.680 14.009 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.008 4.130 14.635 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.532 6.755 14.587 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.641 5.577 15.880 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.457 5.720 14.259 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.989 4.198 14.946 1.00 0.00 H new ATOM 636 N MET A 44 -8.706 6.830 11.732 1.00 0.00 N ATOM 637 CA MET A 44 -8.931 7.937 10.809 1.00 0.00 C ATOM 638 C MET A 44 -7.657 8.754 10.620 1.00 0.00 C ATOM 639 O MET A 44 -6.927 9.015 11.576 1.00 0.00 O ATOM 640 CB MET A 44 -10.056 8.836 11.323 1.00 0.00 C ATOM 641 CG MET A 44 -10.346 10.024 10.419 1.00 0.00 C ATOM 642 SD MET A 44 -10.963 9.528 8.798 1.00 0.00 S ATOM 643 CE MET A 44 -12.529 8.784 9.245 1.00 0.00 C ATOM 0 H MET A 44 -7.937 6.975 12.386 1.00 0.00 H new ATOM 0 HA MET A 44 -9.221 7.521 9.844 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.964 8.242 11.431 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.793 9.201 12.316 1.00 0.00 H new ATOM 0 HG2 MET A 44 -11.079 10.672 10.900 1.00 0.00 H new ATOM 0 HG3 MET A 44 -9.436 10.611 10.293 1.00 0.00 H new ATOM 0 HE1 MET A 44 -13.179 8.752 8.371 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.360 7.771 9.609 1.00 0.00 H new ATOM 0 HE3 MET A 44 -13.003 9.376 10.028 1.00 0.00 H new ATOM 653 N GLY A 45 -7.395 9.156 9.380 1.00 0.00 N ATOM 654 CA GLY A 45 -6.208 9.939 9.089 1.00 0.00 C ATOM 655 C GLY A 45 -5.364 9.326 7.990 1.00 0.00 C ATOM 656 O GLY A 45 -5.854 9.071 6.889 1.00 0.00 O ATOM 0 H GLY A 45 -7.983 8.953 8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.504 10.946 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.608 10.033 9.994 1.00 0.00 H new ATOM 660 N THR A 46 -4.090 9.089 8.286 1.00 0.00 N ATOM 661 CA THR A 46 -3.175 8.505 7.314 1.00 0.00 C ATOM 662 C THR A 46 -2.704 7.126 7.762 1.00 0.00 C ATOM 663 O THR A 46 -2.639 6.840 8.958 1.00 0.00 O ATOM 664 CB THR A 46 -1.946 9.406 7.088 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.322 10.783 7.193 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.329 9.146 5.722 1.00 0.00 C ATOM 0 H THR A 46 -3.668 9.293 9.192 1.00 0.00 H new ATOM 0 HA THR A 46 -3.725 8.412 6.378 1.00 0.00 H new ATOM 0 HB THR A 46 -1.206 9.173 7.854 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.535 11.349 7.050 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.463 9.793 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.017 8.104 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.064 9.354 4.945 1.00 0.00 H new ATOM 674 N TRP A 47 -2.377 6.276 6.796 1.00 0.00 N ATOM 675 CA TRP A 47 -1.911 4.926 7.092 1.00 0.00 C ATOM 676 C TRP A 47 -0.388 4.872 7.132 1.00 0.00 C ATOM 677 O TRP A 47 0.288 5.753 6.602 1.00 0.00 O ATOM 678 CB TRP A 47 -2.441 3.941 6.048 1.00 0.00 C ATOM 679 CG TRP A 47 -3.843 3.486 6.319 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.755 4.084 7.140 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.491 2.334 5.768 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.931 3.374 7.133 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.795 2.297 6.299 1.00 0.00 C ATOM 684 CE3 TRP A 47 -4.098 1.332 4.877 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.705 1.296 5.968 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -5.002 0.339 4.550 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.293 0.327 5.093 1.00 0.00 C ATOM 0 H TRP A 47 -2.426 6.497 5.801 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.292 4.644 8.074 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.402 4.409 5.064 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.785 3.071 6.013 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.578 4.983 7.711 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.770 3.611 7.663 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.105 1.333 4.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.700 1.285 6.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.708 -0.441 3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.977 -0.462 4.816 1.00 0.00 H new ATOM 698 N MET A 48 0.147 3.832 7.764 1.00 0.00 N ATOM 699 CA MET A 48 1.591 3.664 7.872 1.00 0.00 C ATOM 700 C MET A 48 2.004 2.246 7.490 1.00 0.00 C ATOM 701 O MET A 48 1.387 1.272 7.920 1.00 0.00 O ATOM 702 CB MET A 48 2.058 3.977 9.295 1.00 0.00 C ATOM 703 CG MET A 48 3.548 3.763 9.507 1.00 0.00 C ATOM 704 SD MET A 48 4.065 4.101 11.201 1.00 0.00 S ATOM 705 CE MET A 48 4.538 5.824 11.074 1.00 0.00 C ATOM 0 H MET A 48 -0.398 3.093 8.209 1.00 0.00 H new ATOM 0 HA MET A 48 2.065 4.361 7.180 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.811 5.012 9.530 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.506 3.351 9.996 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.803 2.734 9.252 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.104 4.408 8.826 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.882 6.179 12.045 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.341 5.928 10.344 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.679 6.414 10.755 1.00 0.00 H new ATOM 715 N GLY A 49 3.051 2.137 6.677 1.00 0.00 N ATOM 716 CA GLY A 49 3.526 0.834 6.250 1.00 0.00 C ATOM 717 C GLY A 49 4.961 0.872 5.761 1.00 0.00 C ATOM 718 O GLY A 49 5.460 1.925 5.361 1.00 0.00 O ATOM 0 H GLY A 49 3.578 2.928 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.447 0.132 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.884 0.460 5.453 1.00 0.00 H new ATOM 722 N LEU A 50 5.626 -0.277 5.795 1.00 0.00 N ATOM 723 CA LEU A 50 7.013 -0.371 5.353 1.00 0.00 C ATOM 724 C LEU A 50 7.090 -0.623 3.850 1.00 0.00 C ATOM 725 O LEU A 50 6.874 -1.743 3.386 1.00 0.00 O ATOM 726 CB LEU A 50 7.734 -1.490 6.107 1.00 0.00 C ATOM 727 CG LEU A 50 9.221 -1.660 5.794 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.043 -0.611 6.528 1.00 0.00 C ATOM 729 CD2 LEU A 50 9.687 -3.060 6.164 1.00 0.00 C ATOM 0 H LEU A 50 5.228 -1.156 6.124 1.00 0.00 H new ATOM 0 HA LEU A 50 7.503 0.579 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.627 -1.308 7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.228 -2.431 5.891 1.00 0.00 H new ATOM 0 HG LEU A 50 9.366 -1.522 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.099 -0.747 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.727 0.384 6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.893 -0.718 7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.748 -3.163 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.529 -3.226 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.119 -3.795 5.594 1.00 0.00 H new ATOM 741 N LEU A 51 7.401 0.426 3.096 1.00 0.00 N ATOM 742 CA LEU A 51 7.509 0.318 1.645 1.00 0.00 C ATOM 743 C LEU A 51 8.959 0.107 1.221 1.00 0.00 C ATOM 744 O LEU A 51 9.803 0.984 1.401 1.00 0.00 O ATOM 745 CB LEU A 51 6.950 1.576 0.978 1.00 0.00 C ATOM 746 CG LEU A 51 6.528 1.429 -0.485 1.00 0.00 C ATOM 747 CD1 LEU A 51 5.521 2.505 -0.861 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.743 1.490 -1.399 1.00 0.00 C ATOM 0 H LEU A 51 7.583 1.360 3.465 1.00 0.00 H new ATOM 0 HA LEU A 51 6.926 -0.546 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.087 1.915 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.703 2.362 1.041 1.00 0.00 H new ATOM 0 HG LEU A 51 6.053 0.456 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.232 2.384 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.638 2.414 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.969 3.488 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.424 1.384 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.247 2.448 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.430 0.682 -1.146 1.00 0.00 H new ATOM 760 N ASN A 52 9.241 -1.063 0.656 1.00 0.00 N ATOM 761 CA ASN A 52 10.588 -1.389 0.205 1.00 0.00 C ATOM 762 C ASN A 52 11.603 -1.177 1.324 1.00 0.00 C ATOM 763 O ASN A 52 12.644 -0.554 1.122 1.00 0.00 O ATOM 764 CB ASN A 52 10.964 -0.535 -1.007 1.00 0.00 C ATOM 765 CG ASN A 52 10.616 -1.210 -2.320 1.00 0.00 C ATOM 766 OD1 ASN A 52 11.478 -1.406 -3.178 1.00 0.00 O ATOM 767 ND2 ASN A 52 9.348 -1.569 -2.483 1.00 0.00 N ATOM 0 H ASN A 52 8.554 -1.801 0.500 1.00 0.00 H new ATOM 0 HA ASN A 52 10.603 -2.441 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.449 0.424 -0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.033 -0.324 -0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.054 -2.027 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.668 -1.387 -1.745 1.00 0.00 H new ATOM 774 N ASN A 53 11.291 -1.701 2.506 1.00 0.00 N ATOM 775 CA ASN A 53 12.175 -1.569 3.658 1.00 0.00 C ATOM 776 C ASN A 53 12.276 -0.113 4.103 1.00 0.00 C ATOM 777 O ASN A 53 13.349 0.362 4.474 1.00 0.00 O ATOM 778 CB ASN A 53 13.567 -2.109 3.323 1.00 0.00 C ATOM 779 CG ASN A 53 13.549 -3.589 2.993 1.00 0.00 C ATOM 780 OD1 ASN A 53 13.405 -3.976 1.833 1.00 0.00 O ATOM 781 ND2 ASN A 53 13.696 -4.424 4.015 1.00 0.00 N ATOM 0 H ASN A 53 10.433 -2.221 2.690 1.00 0.00 H new ATOM 0 HA ASN A 53 11.753 -2.152 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 53 13.974 -1.556 2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.234 -1.936 4.168 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.693 -5.431 3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.812 -4.058 4.960 1.00 0.00 H new ATOM 788 N LYS A 54 11.150 0.591 4.063 1.00 0.00 N ATOM 789 CA LYS A 54 11.108 1.993 4.463 1.00 0.00 C ATOM 790 C LYS A 54 9.705 2.390 4.909 1.00 0.00 C ATOM 791 O LYS A 54 8.806 2.558 4.085 1.00 0.00 O ATOM 792 CB LYS A 54 11.561 2.888 3.308 1.00 0.00 C ATOM 793 CG LYS A 54 11.507 4.371 3.630 1.00 0.00 C ATOM 794 CD LYS A 54 12.495 5.161 2.788 1.00 0.00 C ATOM 795 CE LYS A 54 12.684 6.571 3.327 1.00 0.00 C ATOM 796 NZ LYS A 54 11.475 7.414 3.111 1.00 0.00 N ATOM 0 H LYS A 54 10.253 0.213 3.757 1.00 0.00 H new ATOM 0 HA LYS A 54 11.788 2.125 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.581 2.622 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.934 2.690 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.498 4.745 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.725 4.523 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.455 4.645 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.141 5.208 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.909 6.525 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.542 7.034 2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.644 8.367 3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.274 7.479 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.662 6.986 3.597 1.00 0.00 H new ATOM 810 N VAL A 55 9.524 2.540 6.217 1.00 0.00 N ATOM 811 CA VAL A 55 8.231 2.920 6.772 1.00 0.00 C ATOM 812 C VAL A 55 8.052 4.434 6.761 1.00 0.00 C ATOM 813 O VAL A 55 9.025 5.185 6.818 1.00 0.00 O ATOM 814 CB VAL A 55 8.065 2.405 8.214 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.213 2.886 9.088 1.00 0.00 C ATOM 816 CG2 VAL A 55 6.726 2.847 8.786 1.00 0.00 C ATOM 0 H VAL A 55 10.257 2.404 6.913 1.00 0.00 H new ATOM 0 HA VAL A 55 7.469 2.462 6.141 1.00 0.00 H new ATOM 0 HB VAL A 55 8.085 1.315 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.079 2.512 10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.156 2.515 8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.228 3.976 9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.625 2.475 9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.674 3.936 8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.919 2.448 8.172 1.00 0.00 H new ATOM 826 N GLY A 56 6.800 4.877 6.689 1.00 0.00 N ATOM 827 CA GLY A 56 6.516 6.300 6.673 1.00 0.00 C ATOM 828 C GLY A 56 5.030 6.595 6.711 1.00 0.00 C ATOM 829 O GLY A 56 4.352 6.287 7.692 1.00 0.00 O ATOM 0 H GLY A 56 5.978 4.275 6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.999 6.773 7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.949 6.744 5.776 1.00 0.00 H new ATOM 833 N THR A 57 4.519 7.195 5.640 1.00 0.00 N ATOM 834 CA THR A 57 3.105 7.534 5.555 1.00 0.00 C ATOM 835 C THR A 57 2.573 7.330 4.141 1.00 0.00 C ATOM 836 O THR A 57 3.254 7.635 3.161 1.00 0.00 O ATOM 837 CB THR A 57 2.850 8.993 5.981 1.00 0.00 C ATOM 838 OG1 THR A 57 3.591 9.885 5.140 1.00 0.00 O ATOM 839 CG2 THR A 57 3.247 9.210 7.433 1.00 0.00 C ATOM 0 H THR A 57 5.065 7.456 4.819 1.00 0.00 H new ATOM 0 HA THR A 57 2.580 6.866 6.238 1.00 0.00 H new ATOM 0 HB THR A 57 1.784 9.198 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.423 10.810 5.416 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.058 10.247 7.711 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.661 8.550 8.073 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.307 8.989 7.557 1.00 0.00 H new ATOM 847 N PHE A 58 1.354 6.812 4.041 1.00 0.00 N ATOM 848 CA PHE A 58 0.731 6.566 2.746 1.00 0.00 C ATOM 849 C PHE A 58 -0.788 6.498 2.877 1.00 0.00 C ATOM 850 O PHE A 58 -1.327 6.471 3.983 1.00 0.00 O ATOM 851 CB PHE A 58 1.261 5.265 2.140 1.00 0.00 C ATOM 852 CG PHE A 58 0.609 4.033 2.701 1.00 0.00 C ATOM 853 CD1 PHE A 58 0.834 3.651 4.014 1.00 0.00 C ATOM 854 CD2 PHE A 58 -0.228 3.258 1.916 1.00 0.00 C ATOM 855 CE1 PHE A 58 0.236 2.519 4.534 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.830 2.124 2.430 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.596 1.754 3.740 1.00 0.00 C ATOM 0 H PHE A 58 0.777 6.554 4.842 1.00 0.00 H new ATOM 0 HA PHE A 58 0.984 7.396 2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.109 5.288 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.336 5.206 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.485 4.245 4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.413 3.542 0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.419 2.233 5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.482 1.529 1.808 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.063 0.868 4.143 1.00 0.00 H new ATOM 867 N LYS A 59 -1.473 6.471 1.739 1.00 0.00 N ATOM 868 CA LYS A 59 -2.930 6.406 1.723 1.00 0.00 C ATOM 869 C LYS A 59 -3.407 4.986 1.435 1.00 0.00 C ATOM 870 O LYS A 59 -2.684 4.185 0.842 1.00 0.00 O ATOM 871 CB LYS A 59 -3.493 7.367 0.674 1.00 0.00 C ATOM 872 CG LYS A 59 -3.189 8.827 0.963 1.00 0.00 C ATOM 873 CD LYS A 59 -4.251 9.453 1.851 1.00 0.00 C ATOM 874 CE LYS A 59 -4.034 10.950 2.011 1.00 0.00 C ATOM 875 NZ LYS A 59 -2.852 11.251 2.865 1.00 0.00 N ATOM 0 H LYS A 59 -1.042 6.493 0.815 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.293 6.700 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.085 7.106 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.573 7.234 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.215 8.908 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.126 9.379 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.237 9.271 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.235 8.975 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.898 11.404 1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.924 11.401 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.687 12.278 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.028 10.914 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.014 10.772 2.479 1.00 0.00 H new ATOM 889 N PHE A 60 -4.630 4.681 1.857 1.00 0.00 N ATOM 890 CA PHE A 60 -5.204 3.357 1.643 1.00 0.00 C ATOM 891 C PHE A 60 -5.893 3.276 0.284 1.00 0.00 C ATOM 892 O PHE A 60 -5.649 2.353 -0.493 1.00 0.00 O ATOM 893 CB PHE A 60 -6.203 3.026 2.754 1.00 0.00 C ATOM 894 CG PHE A 60 -6.997 4.213 3.220 1.00 0.00 C ATOM 895 CD1 PHE A 60 -6.477 5.084 4.164 1.00 0.00 C ATOM 896 CD2 PHE A 60 -8.263 4.457 2.714 1.00 0.00 C ATOM 897 CE1 PHE A 60 -7.206 6.176 4.594 1.00 0.00 C ATOM 898 CE2 PHE A 60 -8.997 5.548 3.140 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.467 6.409 4.081 1.00 0.00 C ATOM 0 H PHE A 60 -5.242 5.332 2.349 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.393 2.629 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.889 2.257 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.664 2.604 3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -5.491 4.907 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.682 3.787 1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.790 6.847 5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.983 5.727 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.038 7.263 4.415 1.00 0.00 H new ATOM 909 N ILE A 61 -6.755 4.249 0.006 1.00 0.00 N ATOM 910 CA ILE A 61 -7.479 4.288 -1.259 1.00 0.00 C ATOM 911 C ILE A 61 -6.526 4.165 -2.442 1.00 0.00 C ATOM 912 O ILE A 61 -6.872 3.590 -3.475 1.00 0.00 O ATOM 913 CB ILE A 61 -8.292 5.589 -1.402 1.00 0.00 C ATOM 914 CG1 ILE A 61 -7.368 6.805 -1.316 1.00 0.00 C ATOM 915 CG2 ILE A 61 -9.371 5.659 -0.331 1.00 0.00 C ATOM 916 CD1 ILE A 61 -8.079 8.121 -1.540 1.00 0.00 C ATOM 0 H ILE A 61 -6.969 5.020 0.639 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.163 3.439 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.776 5.593 -2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.892 6.821 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.573 6.700 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.937 6.584 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.043 4.807 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.907 5.637 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.363 8.939 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.532 8.126 -2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.856 8.248 -0.786 1.00 0.00 H new ATOM 928 N TYR A 62 -5.323 4.707 -2.285 1.00 0.00 N ATOM 929 CA TYR A 62 -4.319 4.659 -3.341 1.00 0.00 C ATOM 930 C TYR A 62 -3.813 3.234 -3.546 1.00 0.00 C ATOM 931 O TYR A 62 -3.353 2.877 -4.631 1.00 0.00 O ATOM 932 CB TYR A 62 -3.149 5.584 -3.003 1.00 0.00 C ATOM 933 CG TYR A 62 -3.482 7.053 -3.129 1.00 0.00 C ATOM 934 CD1 TYR A 62 -4.319 7.677 -2.211 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.962 7.817 -4.166 1.00 0.00 C ATOM 936 CE1 TYR A 62 -4.627 9.019 -2.323 1.00 0.00 C ATOM 937 CE2 TYR A 62 -3.264 9.160 -4.285 1.00 0.00 C ATOM 938 CZ TYR A 62 -4.097 9.756 -3.361 1.00 0.00 C ATOM 939 OH TYR A 62 -4.401 11.093 -3.476 1.00 0.00 O ATOM 0 H TYR A 62 -5.020 5.185 -1.436 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.785 4.997 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.819 5.381 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.312 5.352 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.735 7.103 -1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.310 7.353 -4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.279 9.488 -1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.850 9.740 -5.097 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.946 11.466 -4.260 1.00 0.00 H new ATOM 949 N VAL A 63 -3.902 2.424 -2.496 1.00 0.00 N ATOM 950 CA VAL A 63 -3.456 1.037 -2.560 1.00 0.00 C ATOM 951 C VAL A 63 -4.631 0.075 -2.431 1.00 0.00 C ATOM 952 O VAL A 63 -5.774 0.495 -2.249 1.00 0.00 O ATOM 953 CB VAL A 63 -2.429 0.727 -1.455 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.249 1.684 -1.539 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.085 0.794 -0.085 1.00 0.00 C ATOM 0 H VAL A 63 -4.279 2.704 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.984 0.901 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.055 -0.286 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.534 1.450 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.765 1.581 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.602 2.708 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.345 0.572 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.488 1.794 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.893 0.064 -0.032 1.00 0.00 H new ATOM 965 N ASP A 64 -4.343 -1.218 -2.526 1.00 0.00 N ATOM 966 CA ASP A 64 -5.376 -2.242 -2.418 1.00 0.00 C ATOM 967 C ASP A 64 -4.932 -3.367 -1.489 1.00 0.00 C ATOM 968 O ASP A 64 -4.022 -4.130 -1.812 1.00 0.00 O ATOM 969 CB ASP A 64 -5.710 -2.807 -3.800 1.00 0.00 C ATOM 970 CG ASP A 64 -6.755 -1.983 -4.525 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.776 -1.633 -3.898 1.00 0.00 O ATOM 972 OD2 ASP A 64 -6.551 -1.687 -5.721 1.00 0.00 O ATOM 0 H ASP A 64 -3.402 -1.582 -2.678 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.269 -1.779 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.802 -2.848 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.068 -3.831 -3.694 1.00 0.00 H new ATOM 977 N VAL A 65 -5.579 -3.462 -0.332 1.00 0.00 N ATOM 978 CA VAL A 65 -5.251 -4.493 0.645 1.00 0.00 C ATOM 979 C VAL A 65 -5.378 -5.886 0.039 1.00 0.00 C ATOM 980 O VAL A 65 -6.439 -6.263 -0.461 1.00 0.00 O ATOM 981 CB VAL A 65 -6.159 -4.401 1.886 1.00 0.00 C ATOM 982 CG1 VAL A 65 -5.816 -5.497 2.882 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.042 -3.028 2.530 1.00 0.00 C ATOM 0 H VAL A 65 -6.334 -2.837 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.217 -4.324 0.947 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.192 -4.542 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.468 -5.415 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.956 -6.471 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.778 -5.391 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.690 -2.980 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.009 -2.855 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.343 -2.263 1.814 1.00 0.00 H new ATOM 993 N LEU A 66 -4.291 -6.647 0.086 1.00 0.00 N ATOM 994 CA LEU A 66 -4.280 -8.001 -0.459 1.00 0.00 C ATOM 995 C LEU A 66 -4.483 -9.034 0.644 1.00 0.00 C ATOM 996 O LEU A 66 -4.310 -8.736 1.826 1.00 0.00 O ATOM 997 CB LEU A 66 -2.962 -8.268 -1.188 1.00 0.00 C ATOM 998 CG LEU A 66 -2.632 -7.325 -2.346 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.127 -7.218 -2.535 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -3.300 -7.801 -3.628 1.00 0.00 C ATOM 0 H LEU A 66 -3.405 -6.350 0.496 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.104 -8.087 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.151 -8.216 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.982 -9.288 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.018 -6.335 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.911 -6.543 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.672 -6.831 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.717 -8.204 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.054 -7.118 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.944 -8.801 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.381 -7.825 -3.488 1.00 0.00 H new ATOM 1012 N SER A 67 -4.848 -10.249 0.250 1.00 0.00 N ATOM 1013 CA SER A 67 -5.075 -11.327 1.206 1.00 0.00 C ATOM 1014 C SER A 67 -6.203 -10.969 2.169 1.00 0.00 C ATOM 1015 O SER A 67 -6.112 -11.221 3.371 1.00 0.00 O ATOM 1016 CB SER A 67 -3.795 -11.621 1.990 1.00 0.00 C ATOM 1017 OG SER A 67 -2.848 -12.301 1.183 1.00 0.00 O ATOM 0 H SER A 67 -4.993 -10.512 -0.725 1.00 0.00 H new ATOM 0 HA SER A 67 -5.364 -12.218 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.365 -10.688 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.032 -12.225 2.866 1.00 0.00 H new ATOM 0 HG SER A 67 -2.038 -12.476 1.706 1.00 0.00 H new ATOM 1023 N SER A 68 -7.267 -10.381 1.632 1.00 0.00 N ATOM 1024 CA SER A 68 -8.413 -9.984 2.443 1.00 0.00 C ATOM 1025 C SER A 68 -9.709 -10.109 1.649 1.00 0.00 C ATOM 1026 O SER A 68 -9.695 -10.429 0.462 1.00 0.00 O ATOM 1027 CB SER A 68 -8.241 -8.547 2.939 1.00 0.00 C ATOM 1028 OG SER A 68 -7.277 -8.477 3.975 1.00 0.00 O ATOM 0 H SER A 68 -7.360 -10.169 0.639 1.00 0.00 H new ATOM 0 HA SER A 68 -8.468 -10.652 3.302 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.936 -7.907 2.111 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.196 -8.167 3.301 1.00 0.00 H new ATOM 0 HG SER A 68 -6.843 -9.350 4.078 1.00 0.00 H new ATOM 1034 N GLY A 69 -10.831 -9.854 2.316 1.00 0.00 N ATOM 1035 CA GLY A 69 -12.122 -9.942 1.659 1.00 0.00 C ATOM 1036 C GLY A 69 -13.278 -9.809 2.630 1.00 0.00 C ATOM 1037 O GLY A 69 -13.102 -9.440 3.791 1.00 0.00 O ATOM 0 H GLY A 69 -10.869 -9.588 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.195 -9.160 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.197 -10.897 1.139 1.00 0.00 H new ATOM 1041 N PRO A 70 -14.494 -10.113 2.153 1.00 0.00 N ATOM 1042 CA PRO A 70 -15.708 -10.032 2.971 1.00 0.00 C ATOM 1043 C PRO A 70 -15.753 -11.109 4.050 1.00 0.00 C ATOM 1044 O PRO A 70 -14.917 -12.012 4.074 1.00 0.00 O ATOM 1045 CB PRO A 70 -16.834 -10.243 1.957 1.00 0.00 C ATOM 1046 CG PRO A 70 -16.208 -11.021 0.852 1.00 0.00 C ATOM 1047 CD PRO A 70 -14.778 -10.560 0.779 1.00 0.00 C ATOM 0 HA PRO A 70 -15.774 -9.087 3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.669 -10.786 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -17.227 -9.292 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.263 -12.092 1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -16.724 -10.843 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.111 -11.366 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.653 -9.751 0.059 1.00 0.00 H new ATOM 1055 N SER A 71 -16.735 -11.008 4.940 1.00 0.00 N ATOM 1056 CA SER A 71 -16.888 -11.973 6.023 1.00 0.00 C ATOM 1057 C SER A 71 -18.318 -12.501 6.082 1.00 0.00 C ATOM 1058 O SER A 71 -19.223 -11.946 5.460 1.00 0.00 O ATOM 1059 CB SER A 71 -16.512 -11.333 7.361 1.00 0.00 C ATOM 1060 OG SER A 71 -17.547 -10.485 7.829 1.00 0.00 O ATOM 0 H SER A 71 -17.437 -10.268 4.933 1.00 0.00 H new ATOM 0 HA SER A 71 -16.218 -12.811 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.315 -12.112 8.098 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.591 -10.760 7.248 1.00 0.00 H new ATOM 0 HG SER A 71 -17.283 -10.089 8.686 1.00 0.00 H new ATOM 1066 N SER A 72 -18.512 -13.579 6.836 1.00 0.00 N ATOM 1067 CA SER A 72 -19.831 -14.186 6.975 1.00 0.00 C ATOM 1068 C SER A 72 -20.644 -13.478 8.054 1.00 0.00 C ATOM 1069 O SER A 72 -20.088 -12.876 8.972 1.00 0.00 O ATOM 1070 CB SER A 72 -19.698 -15.672 7.314 1.00 0.00 C ATOM 1071 OG SER A 72 -19.137 -16.394 6.231 1.00 0.00 O ATOM 0 H SER A 72 -17.774 -14.049 7.359 1.00 0.00 H new ATOM 0 HA SER A 72 -20.354 -14.082 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 72 -19.072 -15.792 8.198 1.00 0.00 H new ATOM 0 HB3 SER A 72 -20.678 -16.081 7.559 1.00 0.00 H new ATOM 0 HG SER A 72 -19.061 -17.341 6.473 1.00 0.00 H new ATOM 1077 N GLY A 73 -21.967 -13.554 7.936 1.00 0.00 N ATOM 1078 CA GLY A 73 -22.836 -12.916 8.907 1.00 0.00 C ATOM 1079 C GLY A 73 -23.639 -11.779 8.307 1.00 0.00 C ATOM 1080 O GLY A 73 -24.696 -11.416 8.824 1.00 0.00 O ATOM 0 H GLY A 73 -22.452 -14.046 7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.517 -13.658 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -22.235 -12.536 9.733 1.00 0.00 H new TER 1084 GLY A 73