USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 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 HIS : no HD1:sc=-0.00914 X(o=-0.041,f=-0.45) USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= -0.0315 USER MOD Set 2.1: A 22 HIS : no HE2:sc= -0.833 K(o=-0.83,f=-2.9!) USER MOD Set 2.2: A 45 MET CE :methyl 175:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.000618 X(o=-0.00062,f=-0.22) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -140:sc= -2.05 (180deg=-3.86!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.46 K(o=0.46,f=-0.064) USER MOD Single : A 48 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.2) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 42:sc= 1.09 USER MOD Single : A 70 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.5!) USER MOD Single : A 72 THR OG1 : rot 81:sc= 0.587 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0683 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -11.225 8.742 5.294 1.00 0.00 N ATOM 21 CA VAL A 2 -9.883 9.299 5.114 1.00 0.00 C ATOM 22 C VAL A 2 -9.358 9.038 3.699 1.00 0.00 C ATOM 23 O VAL A 2 -9.500 7.936 3.170 1.00 0.00 O ATOM 24 CB VAL A 2 -8.880 8.719 6.138 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.267 9.114 7.556 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.783 7.205 6.012 1.00 0.00 C ATOM 0 HA VAL A 2 -9.970 10.374 5.275 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.899 9.140 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.548 8.695 8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.269 10.201 7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.262 8.730 7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.071 6.824 6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.762 6.761 6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.447 6.944 5.009 1.00 0.00 H new ATOM 36 N ASN A 3 -8.755 10.064 3.095 1.00 0.00 N ATOM 37 CA ASN A 3 -8.208 9.961 1.740 1.00 0.00 C ATOM 38 C ASN A 3 -6.701 9.694 1.764 1.00 0.00 C ATOM 39 O ASN A 3 -5.975 10.257 2.585 1.00 0.00 O ATOM 40 CB ASN A 3 -8.490 11.249 0.958 1.00 0.00 C ATOM 41 CG ASN A 3 -9.755 11.162 0.126 1.00 0.00 C ATOM 42 OD1 ASN A 3 -9.830 10.392 -0.831 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.758 11.956 0.487 1.00 0.00 N ATOM 0 H ASN A 3 -8.633 10.981 3.525 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.696 9.120 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.575 12.082 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.644 11.466 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.633 11.942 -0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.652 12.579 1.288 1.00 0.00 H new ATOM 50 N VAL A 4 -6.237 8.834 0.853 1.00 0.00 N ATOM 51 CA VAL A 4 -4.816 8.493 0.768 1.00 0.00 C ATOM 52 C VAL A 4 -4.323 8.480 -0.684 1.00 0.00 C ATOM 53 O VAL A 4 -5.064 8.114 -1.599 1.00 0.00 O ATOM 54 CB VAL A 4 -4.526 7.118 1.411 1.00 0.00 C ATOM 55 CG1 VAL A 4 -4.866 7.135 2.895 1.00 0.00 C ATOM 56 CG2 VAL A 4 -5.292 6.012 0.696 1.00 0.00 C ATOM 0 H VAL A 4 -6.824 8.362 0.165 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.279 9.266 1.318 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.460 6.914 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.654 6.157 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.264 7.892 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.923 7.368 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.072 5.054 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.362 6.210 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.991 5.980 -0.351 1.00 0.00 H new ATOM 66 N LYS A 5 -3.061 8.877 -0.883 1.00 0.00 N ATOM 67 CA LYS A 5 -2.459 8.907 -2.217 1.00 0.00 C ATOM 68 C LYS A 5 -1.156 8.104 -2.242 1.00 0.00 C ATOM 69 O LYS A 5 -0.172 8.482 -1.604 1.00 0.00 O ATOM 70 CB LYS A 5 -2.190 10.352 -2.654 1.00 0.00 C ATOM 71 CG LYS A 5 -2.113 10.534 -4.164 1.00 0.00 C ATOM 72 CD LYS A 5 -0.675 10.683 -4.640 1.00 0.00 C ATOM 73 CE LYS A 5 -0.529 11.821 -5.642 1.00 0.00 C ATOM 74 NZ LYS A 5 0.898 12.201 -5.854 1.00 0.00 N ATOM 0 H LYS A 5 -2.438 9.182 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.163 8.453 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.978 10.993 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.253 10.688 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.573 9.678 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.686 11.415 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.025 10.866 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.344 9.750 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.970 11.525 -6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.086 12.689 -5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.952 12.978 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.313 12.509 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.426 11.381 -6.216 1.00 0.00 H new ATOM 88 N VAL A 6 -1.158 6.995 -2.984 1.00 0.00 N ATOM 89 CA VAL A 6 0.024 6.136 -3.092 1.00 0.00 C ATOM 90 C VAL A 6 0.564 6.104 -4.522 1.00 0.00 C ATOM 91 O VAL A 6 -0.187 6.270 -5.483 1.00 0.00 O ATOM 92 CB VAL A 6 -0.278 4.692 -2.633 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.662 4.663 -1.161 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.373 4.064 -3.485 1.00 0.00 C ATOM 0 H VAL A 6 -1.964 6.670 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 6 0.780 6.566 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 6 0.630 4.103 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.870 3.636 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.159 5.057 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.551 5.274 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.565 3.048 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.285 4.655 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.054 4.039 -4.527 1.00 0.00 H new ATOM 104 N GLU A 7 1.873 5.885 -4.653 1.00 0.00 N ATOM 105 CA GLU A 7 2.519 5.827 -5.964 1.00 0.00 C ATOM 106 C GLU A 7 3.225 4.486 -6.166 1.00 0.00 C ATOM 107 O GLU A 7 4.239 4.207 -5.525 1.00 0.00 O ATOM 108 CB GLU A 7 3.520 6.976 -6.111 1.00 0.00 C ATOM 109 CG GLU A 7 3.958 7.228 -7.546 1.00 0.00 C ATOM 110 CD GLU A 7 4.810 8.474 -7.682 1.00 0.00 C ATOM 111 OE1 GLU A 7 6.034 8.387 -7.446 1.00 0.00 O ATOM 112 OE2 GLU A 7 4.252 9.541 -8.020 1.00 0.00 O ATOM 0 H GLU A 7 2.507 5.745 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 7 1.748 5.926 -6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.075 7.887 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.400 6.759 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.519 6.367 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.077 7.323 -8.180 1.00 0.00 H new ATOM 119 N PHE A 8 2.681 3.662 -7.061 1.00 0.00 N ATOM 120 CA PHE A 8 3.254 2.348 -7.353 1.00 0.00 C ATOM 121 C PHE A 8 4.254 2.428 -8.506 1.00 0.00 C ATOM 122 O PHE A 8 4.013 3.114 -9.501 1.00 0.00 O ATOM 123 CB PHE A 8 2.148 1.347 -7.698 1.00 0.00 C ATOM 124 CG PHE A 8 1.293 0.965 -6.522 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.743 0.039 -5.594 1.00 0.00 C ATOM 126 CD2 PHE A 8 0.039 1.528 -6.347 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.959 -0.315 -4.512 1.00 0.00 C ATOM 128 CE2 PHE A 8 -0.749 1.177 -5.267 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.288 0.254 -4.349 1.00 0.00 C ATOM 0 H PHE A 8 1.842 3.882 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 8 3.780 2.009 -6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.513 1.773 -8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.601 0.447 -8.115 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.717 -0.411 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.327 2.249 -7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.322 -1.036 -3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.724 1.624 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.902 -0.022 -3.505 1.00 0.00 H new ATOM 139 N LEU A 9 5.377 1.722 -8.364 1.00 0.00 N ATOM 140 CA LEU A 9 6.418 1.714 -9.392 1.00 0.00 C ATOM 141 C LEU A 9 7.042 0.325 -9.538 1.00 0.00 C ATOM 142 O LEU A 9 6.896 -0.529 -8.661 1.00 0.00 O ATOM 143 CB LEU A 9 7.506 2.738 -9.055 1.00 0.00 C ATOM 144 CG LEU A 9 7.001 4.156 -8.775 1.00 0.00 C ATOM 145 CD1 LEU A 9 6.670 4.322 -7.300 1.00 0.00 C ATOM 146 CD2 LEU A 9 8.031 5.189 -9.212 1.00 0.00 C ATOM 0 H LEU A 9 5.588 1.149 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 9 5.952 1.982 -10.340 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.056 2.386 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.214 2.778 -9.883 1.00 0.00 H new ATOM 0 HG LEU A 9 6.090 4.316 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.313 5.336 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.896 3.609 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.564 4.141 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.653 6.190 -9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.960 5.031 -8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.218 5.086 -10.281 1.00 0.00 H new ATOM 158 N GLY A 10 7.741 0.111 -10.654 1.00 0.00 N ATOM 159 CA GLY A 10 8.381 -1.169 -10.902 1.00 0.00 C ATOM 160 C GLY A 10 7.491 -2.119 -11.678 1.00 0.00 C ATOM 161 O GLY A 10 7.265 -1.927 -12.875 1.00 0.00 O ATOM 0 H GLY A 10 7.874 0.804 -11.390 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.306 -1.008 -11.455 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.654 -1.626 -9.951 1.00 0.00 H new ATOM 165 N GLY A 11 6.984 -3.146 -10.993 1.00 0.00 N ATOM 166 CA GLY A 11 6.115 -4.121 -11.635 1.00 0.00 C ATOM 167 C GLY A 11 4.786 -4.302 -10.913 1.00 0.00 C ATOM 168 O GLY A 11 4.171 -5.367 -11.002 1.00 0.00 O ATOM 0 H GLY A 11 7.161 -3.319 -10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.925 -3.809 -12.662 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.629 -5.081 -11.684 1.00 0.00 H new ATOM 172 N LEU A 12 4.339 -3.264 -10.201 1.00 0.00 N ATOM 173 CA LEU A 12 3.075 -3.318 -9.468 1.00 0.00 C ATOM 174 C LEU A 12 1.941 -2.700 -10.286 1.00 0.00 C ATOM 175 O LEU A 12 0.831 -3.234 -10.324 1.00 0.00 O ATOM 176 CB LEU A 12 3.206 -2.596 -8.126 1.00 0.00 C ATOM 177 CG LEU A 12 3.708 -3.466 -6.971 1.00 0.00 C ATOM 178 CD1 LEU A 12 5.217 -3.338 -6.821 1.00 0.00 C ATOM 179 CD2 LEU A 12 3.001 -3.089 -5.677 1.00 0.00 C ATOM 0 H LEU A 12 4.835 -2.377 -10.118 1.00 0.00 H new ATOM 0 HA LEU A 12 2.836 -4.366 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.886 -1.753 -8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.234 -2.184 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 12 3.478 -4.507 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.555 -3.964 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.703 -3.660 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.476 -2.299 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.369 -3.717 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.200 -2.043 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.927 -3.238 -5.792 1.00 0.00 H new ATOM 191 N ASP A 13 2.231 -1.574 -10.943 1.00 0.00 N ATOM 192 CA ASP A 13 1.241 -0.880 -11.771 1.00 0.00 C ATOM 193 C ASP A 13 0.704 -1.790 -12.878 1.00 0.00 C ATOM 194 O ASP A 13 -0.438 -1.635 -13.312 1.00 0.00 O ATOM 195 CB ASP A 13 1.848 0.390 -12.384 1.00 0.00 C ATOM 196 CG ASP A 13 3.065 0.109 -13.247 1.00 0.00 C ATOM 197 OD1 ASP A 13 4.136 -0.203 -12.682 1.00 0.00 O ATOM 198 OD2 ASP A 13 2.949 0.204 -14.487 1.00 0.00 O ATOM 0 H ASP A 13 3.145 -1.123 -10.917 1.00 0.00 H new ATOM 0 HA ASP A 13 0.408 -0.601 -11.126 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.091 0.894 -12.986 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.127 1.075 -11.584 1.00 0.00 H new ATOM 203 N ALA A 14 1.528 -2.741 -13.327 1.00 0.00 N ATOM 204 CA ALA A 14 1.124 -3.674 -14.378 1.00 0.00 C ATOM 205 C ALA A 14 0.020 -4.609 -13.887 1.00 0.00 C ATOM 206 O ALA A 14 -0.869 -4.988 -14.650 1.00 0.00 O ATOM 207 CB ALA A 14 2.321 -4.482 -14.865 1.00 0.00 C ATOM 0 H ALA A 14 2.476 -2.883 -12.979 1.00 0.00 H new ATOM 0 HA ALA A 14 0.732 -3.091 -15.211 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.001 -5.171 -15.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.078 -3.807 -15.264 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.741 -5.047 -14.033 1.00 0.00 H new ATOM 213 N ILE A 15 0.087 -4.978 -12.608 1.00 0.00 N ATOM 214 CA ILE A 15 -0.902 -5.872 -12.009 1.00 0.00 C ATOM 215 C ILE A 15 -2.185 -5.123 -11.640 1.00 0.00 C ATOM 216 O ILE A 15 -3.287 -5.614 -11.882 1.00 0.00 O ATOM 217 CB ILE A 15 -0.347 -6.566 -10.745 1.00 0.00 C ATOM 218 CG1 ILE A 15 1.048 -7.146 -11.008 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.298 -7.659 -10.280 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.755 -7.620 -9.755 1.00 0.00 C ATOM 0 H ILE A 15 0.818 -4.671 -11.966 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.131 -6.627 -12.761 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.261 -5.819 -9.956 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.960 -7.981 -11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.661 -6.388 -11.496 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.893 -8.139 -9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.269 -7.222 -10.047 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.414 -8.401 -11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.735 -8.017 -10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.876 -6.783 -9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.164 -8.401 -9.277 1.00 0.00 H new ATOM 232 N PHE A 16 -2.035 -3.937 -11.045 1.00 0.00 N ATOM 233 CA PHE A 16 -3.186 -3.128 -10.634 1.00 0.00 C ATOM 234 C PHE A 16 -4.089 -2.795 -11.823 1.00 0.00 C ATOM 235 O PHE A 16 -5.205 -3.305 -11.928 1.00 0.00 O ATOM 236 CB PHE A 16 -2.716 -1.831 -9.966 1.00 0.00 C ATOM 237 CG PHE A 16 -2.442 -1.967 -8.494 1.00 0.00 C ATOM 238 CD1 PHE A 16 -3.485 -2.012 -7.583 1.00 0.00 C ATOM 239 CD2 PHE A 16 -1.141 -2.045 -8.023 1.00 0.00 C ATOM 240 CE1 PHE A 16 -3.235 -2.133 -6.230 1.00 0.00 C ATOM 241 CE2 PHE A 16 -0.886 -2.167 -6.671 1.00 0.00 C ATOM 242 CZ PHE A 16 -1.934 -2.211 -5.773 1.00 0.00 C ATOM 0 H PHE A 16 -1.130 -3.516 -10.837 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.762 -3.716 -9.920 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.810 -1.486 -10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.474 -1.062 -10.115 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.504 -1.952 -7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.317 -2.010 -8.721 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.057 -2.167 -5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.132 -2.228 -6.316 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.737 -2.306 -4.715 1.00 0.00 H new ATOM 252 N GLY A 17 -3.597 -1.931 -12.711 1.00 0.00 N ATOM 253 CA GLY A 17 -4.366 -1.532 -13.881 1.00 0.00 C ATOM 254 C GLY A 17 -3.629 -0.518 -14.740 1.00 0.00 C ATOM 255 O GLY A 17 -4.215 0.469 -15.185 1.00 0.00 O ATOM 0 H GLY A 17 -2.676 -1.499 -12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.595 -2.413 -14.480 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.318 -1.109 -13.560 1.00 0.00 H new ATOM 259 N LYS A 18 -2.337 -0.765 -14.962 1.00 0.00 N ATOM 260 CA LYS A 18 -1.493 0.123 -15.761 1.00 0.00 C ATOM 261 C LYS A 18 -1.537 1.561 -15.233 1.00 0.00 C ATOM 262 O LYS A 18 -1.430 2.519 -16.004 1.00 0.00 O ATOM 263 CB LYS A 18 -1.914 0.077 -17.236 1.00 0.00 C ATOM 264 CG LYS A 18 -1.848 -1.315 -17.848 1.00 0.00 C ATOM 265 CD LYS A 18 -1.386 -1.268 -19.297 1.00 0.00 C ATOM 266 CE LYS A 18 0.006 -1.861 -19.464 1.00 0.00 C ATOM 267 NZ LYS A 18 1.078 -0.842 -19.272 1.00 0.00 N ATOM 0 H LYS A 18 -1.849 -1.582 -14.595 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.465 -0.229 -15.679 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.932 0.456 -17.326 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.273 0.747 -17.809 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.166 -1.936 -17.268 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.830 -1.784 -17.794 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.092 -1.815 -19.922 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.386 -0.235 -19.646 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.143 -2.670 -18.747 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.096 -2.298 -20.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.009 -1.290 -19.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.964 -0.082 -19.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.010 -0.443 -18.314 1.00 0.00 H new ATOM 281 N GLN A 19 -1.683 1.707 -13.913 1.00 0.00 N ATOM 282 CA GLN A 19 -1.729 3.023 -13.284 1.00 0.00 C ATOM 283 C GLN A 19 -0.584 3.176 -12.287 1.00 0.00 C ATOM 284 O GLN A 19 -0.546 2.484 -11.267 1.00 0.00 O ATOM 285 CB GLN A 19 -3.074 3.243 -12.580 1.00 0.00 C ATOM 286 CG GLN A 19 -3.438 4.711 -12.401 1.00 0.00 C ATOM 287 CD GLN A 19 -3.955 5.347 -13.679 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.830 4.798 -14.349 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.417 6.512 -14.024 1.00 0.00 N ATOM 0 H GLN A 19 -1.771 0.927 -13.262 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.620 3.777 -14.064 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.859 2.750 -13.154 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.045 2.763 -11.602 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.196 4.801 -11.623 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.561 5.259 -12.056 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.694 6.933 -13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.727 6.986 -14.873 1.00 0.00 H new ATOM 298 N ARG A 20 0.346 4.083 -12.591 1.00 0.00 N ATOM 299 CA ARG A 20 1.497 4.329 -11.723 1.00 0.00 C ATOM 300 C ARG A 20 1.045 4.759 -10.327 1.00 0.00 C ATOM 301 O ARG A 20 1.308 4.067 -9.343 1.00 0.00 O ATOM 302 CB ARG A 20 2.411 5.397 -12.338 1.00 0.00 C ATOM 303 CG ARG A 20 3.877 5.223 -11.979 1.00 0.00 C ATOM 304 CD ARG A 20 4.584 4.288 -12.950 1.00 0.00 C ATOM 305 NE ARG A 20 6.039 4.322 -12.786 1.00 0.00 N ATOM 306 CZ ARG A 20 6.867 3.380 -13.249 1.00 0.00 C ATOM 307 NH1 ARG A 20 6.393 2.320 -13.900 1.00 0.00 N ATOM 308 NH2 ARG A 20 8.177 3.498 -13.058 1.00 0.00 N ATOM 0 H ARG A 20 0.324 4.659 -13.432 1.00 0.00 H new ATOM 0 HA ARG A 20 2.057 3.399 -11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.306 5.372 -13.423 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.079 6.381 -12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.371 6.195 -11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.960 4.828 -10.967 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.226 3.270 -12.798 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.328 4.566 -13.972 1.00 0.00 H new ATOM 0 HE ARG A 20 6.446 5.114 -12.288 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.389 2.221 -14.050 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.034 1.607 -14.249 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.549 4.306 -12.559 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.810 2.780 -13.410 1.00 0.00 H new ATOM 322 N VAL A 21 0.360 5.898 -10.249 1.00 0.00 N ATOM 323 CA VAL A 21 -0.133 6.417 -8.974 1.00 0.00 C ATOM 324 C VAL A 21 -1.582 5.990 -8.727 1.00 0.00 C ATOM 325 O VAL A 21 -2.386 5.921 -9.659 1.00 0.00 O ATOM 326 CB VAL A 21 -0.029 7.958 -8.922 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.919 8.598 -9.977 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.374 8.480 -7.534 1.00 0.00 C ATOM 0 H VAL A 21 0.133 6.480 -11.055 1.00 0.00 H new ATOM 0 HA VAL A 21 0.495 5.996 -8.189 1.00 0.00 H new ATOM 0 HB VAL A 21 1.003 8.232 -9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.828 9.683 -9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.612 8.259 -10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.956 8.311 -9.801 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.293 9.567 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.393 8.189 -7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.317 8.058 -6.804 1.00 0.00 H new ATOM 338 N HIS A 22 -1.908 5.703 -7.465 1.00 0.00 N ATOM 339 CA HIS A 22 -3.257 5.282 -7.090 1.00 0.00 C ATOM 340 C HIS A 22 -3.795 6.113 -5.922 1.00 0.00 C ATOM 341 O HIS A 22 -3.030 6.758 -5.201 1.00 0.00 O ATOM 342 CB HIS A 22 -3.264 3.796 -6.723 1.00 0.00 C ATOM 343 CG HIS A 22 -3.552 2.895 -7.885 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.814 2.730 -8.417 1.00 0.00 N ATOM 345 CD2 HIS A 22 -2.732 2.107 -8.621 1.00 0.00 C ATOM 346 CE1 HIS A 22 -4.757 1.880 -9.426 1.00 0.00 C ATOM 347 NE2 HIS A 22 -3.504 1.487 -9.571 1.00 0.00 N ATOM 0 H HIS A 22 -1.253 5.755 -6.685 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.909 5.443 -7.948 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.296 3.530 -6.298 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.010 3.625 -5.947 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.660 3.193 -8.083 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.667 1.989 -8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.593 1.560 -10.030 1.00 0.00 H new ATOM 356 N LYS A 23 -5.118 6.095 -5.746 1.00 0.00 N ATOM 357 CA LYS A 23 -5.765 6.846 -4.672 1.00 0.00 C ATOM 358 C LYS A 23 -6.979 6.092 -4.132 1.00 0.00 C ATOM 359 O LYS A 23 -7.805 5.599 -4.903 1.00 0.00 O ATOM 360 CB LYS A 23 -6.188 8.229 -5.177 1.00 0.00 C ATOM 361 CG LYS A 23 -6.676 9.163 -4.079 1.00 0.00 C ATOM 362 CD LYS A 23 -5.643 10.229 -3.752 1.00 0.00 C ATOM 363 CE LYS A 23 -6.027 11.017 -2.508 1.00 0.00 C ATOM 364 NZ LYS A 23 -5.933 12.488 -2.725 1.00 0.00 N ATOM 0 H LYS A 23 -5.762 5.567 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.048 6.965 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.344 8.693 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.980 8.109 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.605 9.640 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.900 8.586 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.671 9.760 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.541 10.909 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.045 10.758 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.376 10.730 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.203 12.986 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.956 12.740 -2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.574 12.767 -3.495 1.00 0.00 H new ATOM 378 N ILE A 24 -7.082 6.010 -2.805 1.00 0.00 N ATOM 379 CA ILE A 24 -8.198 5.317 -2.158 1.00 0.00 C ATOM 380 C ILE A 24 -8.567 5.977 -0.829 1.00 0.00 C ATOM 381 O ILE A 24 -7.938 6.954 -0.413 1.00 0.00 O ATOM 382 CB ILE A 24 -7.881 3.823 -1.903 1.00 0.00 C ATOM 383 CG1 ILE A 24 -6.420 3.639 -1.475 1.00 0.00 C ATOM 384 CG2 ILE A 24 -8.184 2.997 -3.145 1.00 0.00 C ATOM 385 CD1 ILE A 24 -6.024 2.192 -1.270 1.00 0.00 C ATOM 0 H ILE A 24 -6.406 6.415 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.041 5.387 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.517 3.473 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.771 4.081 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.250 4.188 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.956 1.949 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.239 3.097 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.574 3.352 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.978 2.140 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.648 1.751 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.161 1.642 -2.201 1.00 0.00 H new ATOM 397 N LYS A 25 -9.593 5.436 -0.168 1.00 0.00 N ATOM 398 CA LYS A 25 -10.047 5.968 1.112 1.00 0.00 C ATOM 399 C LYS A 25 -10.654 4.871 1.988 1.00 0.00 C ATOM 400 O LYS A 25 -11.492 4.090 1.530 1.00 0.00 O ATOM 401 CB LYS A 25 -11.068 7.090 0.901 1.00 0.00 C ATOM 402 CG LYS A 25 -12.081 6.814 -0.200 1.00 0.00 C ATOM 403 CD LYS A 25 -13.214 7.828 -0.182 1.00 0.00 C ATOM 404 CE LYS A 25 -13.440 8.440 -1.557 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.886 8.495 -1.919 1.00 0.00 N ATOM 0 H LYS A 25 -10.123 4.630 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.175 6.373 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.602 7.260 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.535 8.011 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.583 6.841 -1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.488 5.810 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.130 7.345 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.986 8.617 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.024 9.447 -1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.902 7.858 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.992 8.919 -2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.279 7.532 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.397 9.072 -1.221 1.00 0.00 H new ATOM 419 N MET A 26 -10.230 4.828 3.252 1.00 0.00 N ATOM 420 CA MET A 26 -10.734 3.839 4.202 1.00 0.00 C ATOM 421 C MET A 26 -11.759 4.471 5.136 1.00 0.00 C ATOM 422 O MET A 26 -11.411 5.264 6.013 1.00 0.00 O ATOM 423 CB MET A 26 -9.584 3.236 5.019 1.00 0.00 C ATOM 424 CG MET A 26 -9.330 1.766 4.728 1.00 0.00 C ATOM 425 SD MET A 26 -8.780 0.861 6.188 1.00 0.00 S ATOM 426 CE MET A 26 -9.210 -0.816 5.733 1.00 0.00 C ATOM 0 H MET A 26 -9.538 5.468 3.641 1.00 0.00 H new ATOM 0 HA MET A 26 -11.216 3.041 3.637 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.673 3.799 4.817 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.804 3.354 6.080 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.243 1.311 4.345 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.577 1.678 3.945 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.612 -1.337 6.602 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.960 -0.798 4.942 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.320 -1.336 5.378 1.00 0.00 H new ATOM 436 N ASP A 27 -13.024 4.116 4.943 1.00 0.00 N ATOM 437 CA ASP A 27 -14.106 4.648 5.767 1.00 0.00 C ATOM 438 C ASP A 27 -14.382 3.740 6.968 1.00 0.00 C ATOM 439 O ASP A 27 -15.533 3.397 7.249 1.00 0.00 O ATOM 440 CB ASP A 27 -15.386 4.825 4.933 1.00 0.00 C ATOM 441 CG ASP A 27 -15.737 3.611 4.082 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.259 2.496 4.385 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.499 3.779 3.108 1.00 0.00 O ATOM 0 H ASP A 27 -13.327 3.461 4.222 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.792 5.623 6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.218 5.041 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.268 5.692 4.282 1.00 0.00 H new ATOM 448 N LYS A 28 -13.318 3.360 7.677 1.00 0.00 N ATOM 449 CA LYS A 28 -13.440 2.497 8.852 1.00 0.00 C ATOM 450 C LYS A 28 -13.404 3.318 10.140 1.00 0.00 C ATOM 451 O LYS A 28 -14.207 3.099 11.050 1.00 0.00 O ATOM 452 CB LYS A 28 -12.324 1.444 8.864 1.00 0.00 C ATOM 453 CG LYS A 28 -12.802 0.040 8.518 1.00 0.00 C ATOM 454 CD LYS A 28 -12.800 -0.877 9.736 1.00 0.00 C ATOM 455 CE LYS A 28 -11.595 -1.811 9.739 1.00 0.00 C ATOM 456 NZ LYS A 28 -11.924 -3.152 10.304 1.00 0.00 N ATOM 0 H LYS A 28 -12.361 3.637 7.457 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.402 1.988 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.550 1.740 8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.863 1.428 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.809 0.091 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.160 -0.382 7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.795 -0.275 10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.717 -1.466 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.226 -1.928 8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.790 -1.361 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.076 -3.754 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.252 -3.044 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.674 -3.594 9.735 1.00 0.00 H new ATOM 470 N GLU A 29 -12.465 4.262 10.212 1.00 0.00 N ATOM 471 CA GLU A 29 -12.314 5.120 11.389 1.00 0.00 C ATOM 472 C GLU A 29 -11.401 6.310 11.089 1.00 0.00 C ATOM 473 O GLU A 29 -10.918 6.468 9.966 1.00 0.00 O ATOM 474 CB GLU A 29 -11.745 4.313 12.561 1.00 0.00 C ATOM 475 CG GLU A 29 -10.461 3.569 12.225 1.00 0.00 C ATOM 476 CD GLU A 29 -10.000 2.663 13.349 1.00 0.00 C ATOM 477 OE1 GLU A 29 -10.653 1.623 13.579 1.00 0.00 O ATOM 478 OE2 GLU A 29 -8.987 2.994 13.999 1.00 0.00 O ATOM 0 H GLU A 29 -11.795 4.453 9.467 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.299 5.501 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.556 4.987 13.397 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.494 3.595 12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.615 2.975 11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.676 4.291 12.000 1.00 0.00 H new ATOM 485 N ASP A 30 -11.162 7.142 12.103 1.00 0.00 N ATOM 486 CA ASP A 30 -10.298 8.309 11.949 1.00 0.00 C ATOM 487 C ASP A 30 -8.832 7.934 12.183 1.00 0.00 C ATOM 488 O ASP A 30 -8.000 8.105 11.292 1.00 0.00 O ATOM 489 CB ASP A 30 -10.725 9.431 12.902 1.00 0.00 C ATOM 490 CG ASP A 30 -11.638 10.442 12.234 1.00 0.00 C ATOM 491 OD1 ASP A 30 -11.120 11.357 11.561 1.00 0.00 O ATOM 492 OD2 ASP A 30 -12.872 10.319 12.386 1.00 0.00 O ATOM 0 H ASP A 30 -11.555 7.029 13.038 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.399 8.672 10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.235 8.998 13.763 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.838 9.940 13.280 1.00 0.00 H new ATOM 497 N PRO A 31 -8.487 7.407 13.380 1.00 0.00 N ATOM 498 CA PRO A 31 -7.110 7.010 13.696 1.00 0.00 C ATOM 499 C PRO A 31 -6.730 5.667 13.062 1.00 0.00 C ATOM 500 O PRO A 31 -6.368 4.717 13.761 1.00 0.00 O ATOM 501 CB PRO A 31 -7.126 6.907 15.221 1.00 0.00 C ATOM 502 CG PRO A 31 -8.523 6.512 15.555 1.00 0.00 C ATOM 503 CD PRO A 31 -9.404 7.156 14.515 1.00 0.00 C ATOM 0 HA PRO A 31 -6.375 7.716 13.309 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.409 6.167 15.576 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.860 7.857 15.686 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.634 5.428 15.542 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.793 6.848 16.556 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.227 6.502 14.227 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.847 8.081 14.884 1.00 0.00 H new ATOM 511 N VAL A 32 -6.814 5.597 11.733 1.00 0.00 N ATOM 512 CA VAL A 32 -6.481 4.374 11.003 1.00 0.00 C ATOM 513 C VAL A 32 -4.967 4.189 10.899 1.00 0.00 C ATOM 514 O VAL A 32 -4.218 5.165 10.854 1.00 0.00 O ATOM 515 CB VAL A 32 -7.085 4.376 9.579 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.926 3.010 8.927 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.551 4.782 9.611 1.00 0.00 C ATOM 0 H VAL A 32 -7.110 6.373 11.141 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.911 3.547 11.568 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.541 5.109 8.983 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.357 3.032 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.867 2.760 8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.440 2.259 9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.952 4.776 8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.110 4.078 10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.642 5.784 10.031 1.00 0.00 H new ATOM 527 N THR A 33 -4.525 2.931 10.858 1.00 0.00 N ATOM 528 CA THR A 33 -3.100 2.616 10.758 1.00 0.00 C ATOM 529 C THR A 33 -2.706 2.295 9.317 1.00 0.00 C ATOM 530 O THR A 33 -3.556 1.993 8.479 1.00 0.00 O ATOM 531 CB THR A 33 -2.744 1.441 11.675 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.597 0.336 11.433 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.837 1.781 13.150 1.00 0.00 C ATOM 0 H THR A 33 -5.134 2.114 10.893 1.00 0.00 H new ATOM 0 HA THR A 33 -2.541 3.496 11.077 1.00 0.00 H new ATOM 0 HB THR A 33 -1.708 1.197 11.440 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.351 -0.403 12.028 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.572 0.905 13.743 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.150 2.596 13.380 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.856 2.087 13.389 1.00 0.00 H new ATOM 541 N VAL A 34 -1.406 2.368 9.039 1.00 0.00 N ATOM 542 CA VAL A 34 -0.883 2.092 7.702 1.00 0.00 C ATOM 543 C VAL A 34 -1.194 0.663 7.257 1.00 0.00 C ATOM 544 O VAL A 34 -1.546 0.431 6.098 1.00 0.00 O ATOM 545 CB VAL A 34 0.635 2.344 7.638 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.404 1.337 8.479 1.00 0.00 C ATOM 547 CG2 VAL A 34 1.129 2.342 6.198 1.00 0.00 C ATOM 0 H VAL A 34 -0.693 2.617 9.724 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.382 2.777 7.017 1.00 0.00 H new ATOM 0 HB VAL A 34 0.821 3.333 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.472 1.545 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.086 1.413 9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.206 0.330 8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.204 2.522 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.916 1.375 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.621 3.127 5.638 1.00 0.00 H new ATOM 557 N GLY A 35 -1.083 -0.286 8.188 1.00 0.00 N ATOM 558 CA GLY A 35 -1.379 -1.670 7.871 1.00 0.00 C ATOM 559 C GLY A 35 -2.809 -1.850 7.399 1.00 0.00 C ATOM 560 O GLY A 35 -3.093 -2.725 6.580 1.00 0.00 O ATOM 0 H GLY A 35 -0.794 -0.118 9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.695 -2.019 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.207 -2.289 8.752 1.00 0.00 H new ATOM 564 N ASP A 36 -3.709 -1.000 7.904 1.00 0.00 N ATOM 565 CA ASP A 36 -5.118 -1.055 7.516 1.00 0.00 C ATOM 566 C ASP A 36 -5.280 -0.659 6.051 1.00 0.00 C ATOM 567 O ASP A 36 -6.051 -1.275 5.313 1.00 0.00 O ATOM 568 CB ASP A 36 -5.963 -0.141 8.412 1.00 0.00 C ATOM 569 CG ASP A 36 -6.629 -0.896 9.549 1.00 0.00 C ATOM 570 OD1 ASP A 36 -5.904 -1.519 10.354 1.00 0.00 O ATOM 571 OD2 ASP A 36 -7.875 -0.862 9.635 1.00 0.00 O ATOM 0 H ASP A 36 -3.486 -0.269 8.580 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.469 -2.079 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.330 0.645 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.727 0.349 7.808 1.00 0.00 H new ATOM 576 N LEU A 37 -4.528 0.361 5.632 1.00 0.00 N ATOM 577 CA LEU A 37 -4.561 0.830 4.251 1.00 0.00 C ATOM 578 C LEU A 37 -4.229 -0.316 3.299 1.00 0.00 C ATOM 579 O LEU A 37 -4.905 -0.509 2.287 1.00 0.00 O ATOM 580 CB LEU A 37 -3.571 1.986 4.057 1.00 0.00 C ATOM 581 CG LEU A 37 -3.765 2.820 2.785 1.00 0.00 C ATOM 582 CD1 LEU A 37 -3.286 2.052 1.562 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.224 3.227 2.625 1.00 0.00 C ATOM 0 H LEU A 37 -3.887 0.878 6.234 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.565 1.192 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.642 2.649 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.560 1.578 4.051 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.166 3.726 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.432 2.661 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.227 1.817 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.855 1.127 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.339 3.818 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.846 2.334 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.533 3.821 3.485 1.00 0.00 H new ATOM 595 N ILE A 38 -3.192 -1.085 3.640 1.00 0.00 N ATOM 596 CA ILE A 38 -2.783 -2.224 2.819 1.00 0.00 C ATOM 597 C ILE A 38 -3.923 -3.234 2.702 1.00 0.00 C ATOM 598 O ILE A 38 -4.219 -3.725 1.612 1.00 0.00 O ATOM 599 CB ILE A 38 -1.532 -2.935 3.388 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.404 -1.928 3.641 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.064 -4.032 2.438 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.096 -1.246 2.385 1.00 0.00 C ATOM 0 H ILE A 38 -2.624 -0.940 4.475 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.532 -1.829 1.835 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.802 -3.392 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.756 -1.169 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.429 -2.442 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.183 -4.522 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.860 -4.765 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.814 -3.594 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.893 -0.548 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.479 -1.995 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.724 -0.703 1.915 1.00 0.00 H new ATOM 614 N ASP A 39 -4.566 -3.530 3.835 1.00 0.00 N ATOM 615 CA ASP A 39 -5.683 -4.472 3.865 1.00 0.00 C ATOM 616 C ASP A 39 -6.825 -3.988 2.975 1.00 0.00 C ATOM 617 O ASP A 39 -7.474 -4.787 2.303 1.00 0.00 O ATOM 618 CB ASP A 39 -6.181 -4.669 5.301 1.00 0.00 C ATOM 619 CG ASP A 39 -5.348 -5.676 6.073 1.00 0.00 C ATOM 620 OD1 ASP A 39 -4.142 -5.423 6.275 1.00 0.00 O ATOM 621 OD2 ASP A 39 -5.903 -6.719 6.478 1.00 0.00 O ATOM 0 H ASP A 39 -4.330 -3.129 4.743 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.328 -5.429 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.163 -3.712 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.219 -5.001 5.280 1.00 0.00 H new ATOM 626 N HIS A 40 -7.060 -2.674 2.967 1.00 0.00 N ATOM 627 CA HIS A 40 -8.118 -2.089 2.146 1.00 0.00 C ATOM 628 C HIS A 40 -7.877 -2.385 0.666 1.00 0.00 C ATOM 629 O HIS A 40 -8.805 -2.746 -0.061 1.00 0.00 O ATOM 630 CB HIS A 40 -8.195 -0.576 2.373 1.00 0.00 C ATOM 631 CG HIS A 40 -9.356 0.086 1.690 1.00 0.00 C ATOM 632 ND1 HIS A 40 -10.604 -0.491 1.588 1.00 0.00 N ATOM 633 CD2 HIS A 40 -9.453 1.293 1.080 1.00 0.00 C ATOM 634 CE1 HIS A 40 -11.417 0.329 0.947 1.00 0.00 C ATOM 635 NE2 HIS A 40 -10.744 1.419 0.626 1.00 0.00 N ATOM 0 H HIS A 40 -6.532 -1.998 3.519 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.066 -2.538 2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.258 -0.382 3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.271 -0.119 2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.662 2.021 0.971 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.457 0.140 0.723 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.121 2.223 0.123 1.00 0.00 H new ATOM 644 N ILE A 41 -6.625 -2.235 0.229 1.00 0.00 N ATOM 645 CA ILE A 41 -6.258 -2.494 -1.163 1.00 0.00 C ATOM 646 C ILE A 41 -6.449 -3.970 -1.519 1.00 0.00 C ATOM 647 O ILE A 41 -6.733 -4.302 -2.667 1.00 0.00 O ATOM 648 CB ILE A 41 -4.794 -2.095 -1.455 1.00 0.00 C ATOM 649 CG1 ILE A 41 -4.526 -0.652 -1.015 1.00 0.00 C ATOM 650 CG2 ILE A 41 -4.483 -2.262 -2.938 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.079 -0.386 -0.655 1.00 0.00 C ATOM 0 H ILE A 41 -5.849 -1.936 0.819 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.919 -1.882 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.141 -2.755 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.822 0.024 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.154 -0.421 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.448 -1.977 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.631 -3.303 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.147 -1.626 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.965 0.655 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.783 -1.037 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.446 -0.585 -1.520 1.00 0.00 H new ATOM 663 N VAL A 42 -6.287 -4.849 -0.531 1.00 0.00 N ATOM 664 CA VAL A 42 -6.440 -6.288 -0.745 1.00 0.00 C ATOM 665 C VAL A 42 -7.849 -6.775 -0.370 1.00 0.00 C ATOM 666 O VAL A 42 -8.164 -7.955 -0.527 1.00 0.00 O ATOM 667 CB VAL A 42 -5.397 -7.081 0.070 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.453 -8.564 -0.269 1.00 0.00 C ATOM 669 CG2 VAL A 42 -3.996 -6.527 -0.167 1.00 0.00 C ATOM 0 H VAL A 42 -6.050 -4.590 0.427 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.282 -6.465 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.637 -6.968 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.708 -9.100 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.445 -8.953 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.246 -8.703 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.275 -7.099 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.749 -6.604 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.962 -5.481 0.139 1.00 0.00 H new ATOM 679 N SER A 43 -8.691 -5.867 0.129 1.00 0.00 N ATOM 680 CA SER A 43 -10.051 -6.221 0.525 1.00 0.00 C ATOM 681 C SER A 43 -11.052 -5.937 -0.595 1.00 0.00 C ATOM 682 O SER A 43 -11.676 -6.859 -1.124 1.00 0.00 O ATOM 683 CB SER A 43 -10.452 -5.460 1.793 1.00 0.00 C ATOM 684 OG SER A 43 -11.698 -5.920 2.293 1.00 0.00 O ATOM 0 H SER A 43 -8.454 -4.885 0.267 1.00 0.00 H new ATOM 0 HA SER A 43 -10.068 -7.292 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.682 -5.585 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.515 -4.394 1.576 1.00 0.00 H new ATOM 0 HG SER A 43 -11.930 -5.420 3.103 1.00 0.00 H new ATOM 690 N THR A 44 -11.210 -4.660 -0.945 1.00 0.00 N ATOM 691 CA THR A 44 -12.149 -4.263 -1.996 1.00 0.00 C ATOM 692 C THR A 44 -11.443 -4.057 -3.338 1.00 0.00 C ATOM 693 O THR A 44 -11.908 -4.540 -4.371 1.00 0.00 O ATOM 694 CB THR A 44 -12.890 -2.983 -1.594 1.00 0.00 C ATOM 695 OG1 THR A 44 -11.984 -1.903 -1.436 1.00 0.00 O ATOM 696 CG2 THR A 44 -13.668 -3.119 -0.301 1.00 0.00 C ATOM 0 H THR A 44 -10.702 -3.885 -0.518 1.00 0.00 H new ATOM 0 HA THR A 44 -12.868 -5.074 -2.116 1.00 0.00 H new ATOM 0 HB THR A 44 -13.593 -2.794 -2.405 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.478 -1.096 -1.181 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.168 -2.177 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.412 -3.909 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.985 -3.370 0.510 1.00 0.00 H new ATOM 704 N MET A 45 -10.324 -3.331 -3.314 1.00 0.00 N ATOM 705 CA MET A 45 -9.555 -3.054 -4.529 1.00 0.00 C ATOM 706 C MET A 45 -9.124 -4.350 -5.220 1.00 0.00 C ATOM 707 O MET A 45 -9.433 -4.570 -6.392 1.00 0.00 O ATOM 708 CB MET A 45 -8.326 -2.202 -4.191 1.00 0.00 C ATOM 709 CG MET A 45 -8.162 -0.975 -5.075 1.00 0.00 C ATOM 710 SD MET A 45 -6.647 -0.064 -4.712 1.00 0.00 S ATOM 711 CE MET A 45 -6.463 0.915 -6.201 1.00 0.00 C ATOM 0 H MET A 45 -9.930 -2.924 -2.466 1.00 0.00 H new ATOM 0 HA MET A 45 -10.196 -2.502 -5.217 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.393 -1.882 -3.151 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.433 -2.821 -4.277 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.156 -1.282 -6.121 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.020 -0.316 -4.941 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.619 1.595 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.286 0.255 -7.051 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.372 1.491 -6.372 1.00 0.00 H new ATOM 721 N ILE A 46 -8.409 -5.203 -4.485 1.00 0.00 N ATOM 722 CA ILE A 46 -7.932 -6.477 -5.020 1.00 0.00 C ATOM 723 C ILE A 46 -8.575 -7.651 -4.284 1.00 0.00 C ATOM 724 O ILE A 46 -8.888 -7.551 -3.098 1.00 0.00 O ATOM 725 CB ILE A 46 -6.396 -6.603 -4.904 1.00 0.00 C ATOM 726 CG1 ILE A 46 -5.703 -5.327 -5.390 1.00 0.00 C ATOM 727 CG2 ILE A 46 -5.897 -7.806 -5.691 1.00 0.00 C ATOM 728 CD1 ILE A 46 -4.242 -5.252 -5.001 1.00 0.00 C ATOM 0 H ILE A 46 -8.147 -5.033 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.213 -6.501 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.149 -6.747 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.786 -5.268 -6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.225 -4.461 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.813 -7.878 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.356 -8.713 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.163 -7.689 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.813 -4.323 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.153 -5.280 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.707 -6.099 -5.431 1.00 0.00 H new ATOM 740 N ASN A 47 -8.763 -8.765 -4.994 1.00 0.00 N ATOM 741 CA ASN A 47 -9.362 -9.961 -4.405 1.00 0.00 C ATOM 742 C ASN A 47 -9.321 -11.131 -5.390 1.00 0.00 C ATOM 743 O ASN A 47 -10.348 -11.521 -5.949 1.00 0.00 O ATOM 744 CB ASN A 47 -10.807 -9.680 -3.974 1.00 0.00 C ATOM 745 CG ASN A 47 -11.222 -10.502 -2.768 1.00 0.00 C ATOM 746 OD1 ASN A 47 -11.245 -11.732 -2.820 1.00 0.00 O ATOM 747 ND2 ASN A 47 -11.553 -9.826 -1.673 1.00 0.00 N ATOM 0 H ASN A 47 -8.509 -8.862 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.781 -10.233 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.914 -8.620 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.479 -9.894 -4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.840 -10.327 -0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.520 -8.807 -1.673 1.00 0.00 H new ATOM 754 N ASN A 48 -8.127 -11.682 -5.605 1.00 0.00 N ATOM 755 CA ASN A 48 -7.955 -12.801 -6.529 1.00 0.00 C ATOM 756 C ASN A 48 -6.614 -13.499 -6.306 1.00 0.00 C ATOM 757 O ASN A 48 -5.577 -12.841 -6.206 1.00 0.00 O ATOM 758 CB ASN A 48 -8.045 -12.308 -7.975 1.00 0.00 C ATOM 759 CG ASN A 48 -8.191 -13.448 -8.963 1.00 0.00 C ATOM 760 OD1 ASN A 48 -7.230 -13.834 -9.628 1.00 0.00 O ATOM 761 ND2 ASN A 48 -9.396 -13.999 -9.060 1.00 0.00 N ATOM 0 H ASN A 48 -7.267 -11.372 -5.153 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.753 -13.519 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.895 -11.633 -8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.151 -11.733 -8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.552 -14.774 -9.705 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.165 -13.647 -8.489 1.00 0.00 H new ATOM 768 N PRO A 49 -6.610 -14.847 -6.243 1.00 0.00 N ATOM 769 CA PRO A 49 -5.380 -15.622 -6.046 1.00 0.00 C ATOM 770 C PRO A 49 -4.497 -15.612 -7.292 1.00 0.00 C ATOM 771 O PRO A 49 -4.283 -16.644 -7.933 1.00 0.00 O ATOM 772 CB PRO A 49 -5.893 -17.033 -5.750 1.00 0.00 C ATOM 773 CG PRO A 49 -7.212 -17.105 -6.437 1.00 0.00 C ATOM 774 CD PRO A 49 -7.796 -15.718 -6.373 1.00 0.00 C ATOM 0 HA PRO A 49 -4.755 -15.215 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.207 -17.791 -6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.995 -17.201 -4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.095 -17.431 -7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.867 -17.826 -5.948 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.370 -15.483 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.471 -15.606 -5.524 1.00 0.00 H new ATOM 782 N ASN A 50 -3.993 -14.428 -7.629 1.00 0.00 N ATOM 783 CA ASN A 50 -3.136 -14.255 -8.796 1.00 0.00 C ATOM 784 C ASN A 50 -2.295 -12.986 -8.675 1.00 0.00 C ATOM 785 O ASN A 50 -1.079 -13.023 -8.869 1.00 0.00 O ATOM 786 CB ASN A 50 -3.975 -14.206 -10.076 1.00 0.00 C ATOM 787 CG ASN A 50 -3.411 -15.103 -11.163 1.00 0.00 C ATOM 788 OD1 ASN A 50 -3.178 -16.291 -10.942 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.185 -14.539 -12.345 1.00 0.00 N ATOM 0 H ASN A 50 -4.165 -13.570 -7.106 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.463 -15.111 -8.846 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.997 -14.509 -9.851 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.020 -13.180 -10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.804 -15.095 -13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.392 -13.550 -12.486 1.00 0.00 H new ATOM 796 N ASP A 51 -2.946 -11.867 -8.340 1.00 0.00 N ATOM 797 CA ASP A 51 -2.252 -10.590 -8.179 1.00 0.00 C ATOM 798 C ASP A 51 -1.776 -10.420 -6.741 1.00 0.00 C ATOM 799 O ASP A 51 -0.654 -9.973 -6.498 1.00 0.00 O ATOM 800 CB ASP A 51 -3.150 -9.404 -8.586 1.00 0.00 C ATOM 801 CG ASP A 51 -4.632 -9.590 -8.276 1.00 0.00 C ATOM 802 OD1 ASP A 51 -4.967 -10.328 -7.328 1.00 0.00 O ATOM 803 OD2 ASP A 51 -5.460 -8.984 -8.984 1.00 0.00 O ATOM 0 H ASP A 51 -3.952 -11.822 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.386 -10.598 -8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.796 -8.507 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.036 -9.230 -9.656 1.00 0.00 H new ATOM 808 N VAL A 52 -2.634 -10.782 -5.786 1.00 0.00 N ATOM 809 CA VAL A 52 -2.291 -10.671 -4.379 1.00 0.00 C ATOM 810 C VAL A 52 -1.281 -11.736 -3.972 1.00 0.00 C ATOM 811 O VAL A 52 -0.404 -11.476 -3.157 1.00 0.00 O ATOM 812 CB VAL A 52 -3.519 -10.780 -3.453 1.00 0.00 C ATOM 813 CG1 VAL A 52 -3.338 -9.855 -2.276 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.814 -10.457 -4.177 1.00 0.00 C ATOM 0 H VAL A 52 -3.567 -11.153 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.857 -9.678 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.592 -11.812 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.204 -9.929 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.440 -10.137 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.239 -8.829 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.651 -10.547 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.771 -9.439 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.952 -11.153 -5.004 1.00 0.00 H new ATOM 824 N SER A 53 -1.406 -12.935 -4.547 1.00 0.00 N ATOM 825 CA SER A 53 -0.488 -14.035 -4.237 1.00 0.00 C ATOM 826 C SER A 53 0.974 -13.603 -4.388 1.00 0.00 C ATOM 827 O SER A 53 1.856 -14.139 -3.716 1.00 0.00 O ATOM 828 CB SER A 53 -0.768 -15.238 -5.143 1.00 0.00 C ATOM 829 OG SER A 53 -0.536 -16.457 -4.457 1.00 0.00 O ATOM 0 H SER A 53 -2.130 -13.169 -5.226 1.00 0.00 H new ATOM 0 HA SER A 53 -0.655 -14.320 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.801 -15.203 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.132 -15.188 -6.027 1.00 0.00 H new ATOM 0 HG SER A 53 -0.723 -17.210 -5.056 1.00 0.00 H new ATOM 835 N ILE A 54 1.227 -12.636 -5.275 1.00 0.00 N ATOM 836 CA ILE A 54 2.582 -12.142 -5.506 1.00 0.00 C ATOM 837 C ILE A 54 2.928 -10.979 -4.564 1.00 0.00 C ATOM 838 O ILE A 54 4.077 -10.839 -4.146 1.00 0.00 O ATOM 839 CB ILE A 54 2.777 -11.683 -6.970 1.00 0.00 C ATOM 840 CG1 ILE A 54 2.252 -12.743 -7.946 1.00 0.00 C ATOM 841 CG2 ILE A 54 4.248 -11.393 -7.244 1.00 0.00 C ATOM 842 CD1 ILE A 54 2.085 -12.234 -9.362 1.00 0.00 C ATOM 0 H ILE A 54 0.511 -12.182 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 54 3.254 -12.976 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 54 2.206 -10.766 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.938 -13.590 -7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.292 -13.112 -7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.369 -11.071 -8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.594 -10.604 -6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.835 -12.296 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.711 -13.038 -9.996 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.376 -11.406 -9.370 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.048 -11.891 -9.741 1.00 0.00 H new ATOM 854 N PHE A 55 1.935 -10.147 -4.241 1.00 0.00 N ATOM 855 CA PHE A 55 2.148 -8.997 -3.357 1.00 0.00 C ATOM 856 C PHE A 55 1.991 -9.387 -1.883 1.00 0.00 C ATOM 857 O PHE A 55 2.913 -9.205 -1.086 1.00 0.00 O ATOM 858 CB PHE A 55 1.171 -7.871 -3.714 1.00 0.00 C ATOM 859 CG PHE A 55 1.460 -6.566 -3.021 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.590 -5.830 -3.340 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.600 -6.076 -2.050 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.855 -4.630 -2.706 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.860 -4.878 -1.414 1.00 0.00 C ATOM 864 CZ PHE A 55 1.989 -4.154 -1.741 1.00 0.00 C ATOM 0 H PHE A 55 0.977 -10.247 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 55 3.170 -8.646 -3.502 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.195 -7.711 -4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.159 -8.188 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.272 -6.198 -4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.284 -6.638 -1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.738 -4.065 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.180 -4.508 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.195 -3.218 -1.244 1.00 0.00 H new ATOM 874 N ILE A 56 0.821 -9.923 -1.529 1.00 0.00 N ATOM 875 CA ILE A 56 0.543 -10.339 -0.152 1.00 0.00 C ATOM 876 C ILE A 56 0.747 -11.847 0.023 1.00 0.00 C ATOM 877 O ILE A 56 0.378 -12.639 -0.845 1.00 0.00 O ATOM 878 CB ILE A 56 -0.900 -9.977 0.275 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.203 -8.503 -0.017 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.114 -10.282 1.754 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.295 -7.532 0.711 1.00 0.00 C ATOM 0 H ILE A 56 0.050 -10.079 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 56 1.247 -9.800 0.483 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.589 -10.588 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.117 -8.330 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.237 -8.294 0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.134 -10.021 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.948 -11.344 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.412 -9.699 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.573 -6.510 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.398 -7.675 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.739 -7.712 0.418 1.00 0.00 H new ATOM 893 N GLU A 57 1.330 -12.233 1.158 1.00 0.00 N ATOM 894 CA GLU A 57 1.582 -13.640 1.460 1.00 0.00 C ATOM 895 C GLU A 57 1.512 -13.893 2.966 1.00 0.00 C ATOM 896 O GLU A 57 2.148 -13.185 3.750 1.00 0.00 O ATOM 897 CB GLU A 57 2.952 -14.059 0.922 1.00 0.00 C ATOM 898 CG GLU A 57 2.889 -15.217 -0.063 1.00 0.00 C ATOM 899 CD GLU A 57 4.113 -15.304 -0.956 1.00 0.00 C ATOM 900 OE1 GLU A 57 4.470 -14.282 -1.582 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.716 -16.396 -1.029 1.00 0.00 O ATOM 0 H GLU A 57 1.637 -11.587 1.885 1.00 0.00 H new ATOM 0 HA GLU A 57 0.811 -14.237 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.420 -13.203 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.592 -14.339 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.782 -16.151 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.000 -15.110 -0.684 1.00 0.00 H new ATOM 908 N ASP A 58 0.736 -14.907 3.361 1.00 0.00 N ATOM 909 CA ASP A 58 0.574 -15.262 4.774 1.00 0.00 C ATOM 910 C ASP A 58 -0.010 -14.091 5.568 1.00 0.00 C ATOM 911 O ASP A 58 0.435 -13.794 6.678 1.00 0.00 O ATOM 912 CB ASP A 58 1.913 -15.701 5.381 1.00 0.00 C ATOM 913 CG ASP A 58 2.538 -16.862 4.631 1.00 0.00 C ATOM 914 OD1 ASP A 58 3.101 -16.632 3.541 1.00 0.00 O ATOM 915 OD2 ASP A 58 2.458 -18.003 5.134 1.00 0.00 O ATOM 0 H ASP A 58 0.208 -15.498 2.719 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.123 -16.098 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.603 -14.857 5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.760 -15.985 6.422 1.00 0.00 H new ATOM 920 N ASP A 59 -1.013 -13.431 4.985 1.00 0.00 N ATOM 921 CA ASP A 59 -1.671 -12.290 5.622 1.00 0.00 C ATOM 922 C ASP A 59 -0.676 -11.160 5.918 1.00 0.00 C ATOM 923 O ASP A 59 -0.757 -10.504 6.958 1.00 0.00 O ATOM 924 CB ASP A 59 -2.374 -12.735 6.912 1.00 0.00 C ATOM 925 CG ASP A 59 -3.743 -12.101 7.087 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.922 -10.937 6.668 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.638 -12.772 7.642 1.00 0.00 O ATOM 0 H ASP A 59 -1.389 -13.670 4.067 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.416 -11.902 4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.479 -13.820 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.749 -12.480 7.767 1.00 0.00 H new ATOM 932 N SER A 60 0.260 -10.931 4.993 1.00 0.00 N ATOM 933 CA SER A 60 1.261 -9.877 5.154 1.00 0.00 C ATOM 934 C SER A 60 1.994 -9.615 3.838 1.00 0.00 C ATOM 935 O SER A 60 1.960 -10.441 2.927 1.00 0.00 O ATOM 936 CB SER A 60 2.262 -10.256 6.251 1.00 0.00 C ATOM 937 OG SER A 60 3.062 -9.144 6.618 1.00 0.00 O ATOM 0 H SER A 60 0.344 -11.462 4.126 1.00 0.00 H new ATOM 0 HA SER A 60 0.746 -8.962 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.726 -10.626 7.125 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.900 -11.067 5.901 1.00 0.00 H new ATOM 0 HG SER A 60 3.691 -9.411 7.320 1.00 0.00 H new ATOM 943 N ILE A 61 2.658 -8.461 3.741 1.00 0.00 N ATOM 944 CA ILE A 61 3.394 -8.105 2.528 1.00 0.00 C ATOM 945 C ILE A 61 4.577 -9.048 2.310 1.00 0.00 C ATOM 946 O ILE A 61 5.166 -9.553 3.267 1.00 0.00 O ATOM 947 CB ILE A 61 3.907 -6.646 2.568 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.755 -5.679 2.852 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.583 -6.280 1.251 1.00 0.00 C ATOM 950 CD1 ILE A 61 2.942 -4.862 4.114 1.00 0.00 C ATOM 0 H ILE A 61 2.701 -7.762 4.483 1.00 0.00 H new ATOM 0 HA ILE A 61 2.693 -8.201 1.699 1.00 0.00 H new ATOM 0 HB ILE A 61 4.639 -6.565 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.643 -5.002 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.828 -6.246 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.937 -5.250 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.428 -6.947 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.868 -6.381 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.086 -4.200 4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.023 -5.530 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.851 -4.267 4.031 1.00 0.00 H new ATOM 962 N ARG A 62 4.917 -9.278 1.043 1.00 0.00 N ATOM 963 CA ARG A 62 6.030 -10.162 0.696 1.00 0.00 C ATOM 964 C ARG A 62 7.373 -9.453 0.880 1.00 0.00 C ATOM 965 O ARG A 62 7.473 -8.240 0.684 1.00 0.00 O ATOM 966 CB ARG A 62 5.897 -10.656 -0.751 1.00 0.00 C ATOM 967 CG ARG A 62 5.989 -9.548 -1.793 1.00 0.00 C ATOM 968 CD ARG A 62 6.782 -9.985 -3.015 1.00 0.00 C ATOM 969 NE ARG A 62 8.171 -10.318 -2.690 1.00 0.00 N ATOM 970 CZ ARG A 62 9.152 -10.396 -3.594 1.00 0.00 C ATOM 971 NH1 ARG A 62 8.910 -10.136 -4.876 1.00 0.00 N ATOM 972 NH2 ARG A 62 10.381 -10.730 -3.215 1.00 0.00 N ATOM 0 H ARG A 62 4.440 -8.866 0.241 1.00 0.00 H new ATOM 0 HA ARG A 62 5.995 -11.019 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.678 -11.391 -0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.941 -11.168 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.985 -9.252 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.459 -8.670 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.300 -10.852 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.767 -9.188 -3.759 1.00 0.00 H new ATOM 0 HE ARG A 62 8.404 -10.502 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.970 -9.875 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.664 -10.198 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.576 -10.927 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.129 -10.789 -3.906 1.00 0.00 H new ATOM 986 N PRO A 63 8.428 -10.205 1.256 1.00 0.00 N ATOM 987 CA PRO A 63 9.768 -9.643 1.457 1.00 0.00 C ATOM 988 C PRO A 63 10.443 -9.291 0.129 1.00 0.00 C ATOM 989 O PRO A 63 11.330 -10.007 -0.342 1.00 0.00 O ATOM 990 CB PRO A 63 10.518 -10.769 2.173 1.00 0.00 C ATOM 991 CG PRO A 63 9.843 -12.018 1.722 1.00 0.00 C ATOM 992 CD PRO A 63 8.395 -11.662 1.507 1.00 0.00 C ATOM 0 HA PRO A 63 9.750 -8.710 2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.575 -10.772 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.461 -10.657 3.256 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.292 -12.392 0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.943 -12.806 2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.970 -12.205 0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.789 -11.905 2.380 1.00 0.00 H new ATOM 1000 N GLY A 64 10.005 -8.185 -0.471 1.00 0.00 N ATOM 1001 CA GLY A 64 10.560 -7.746 -1.743 1.00 0.00 C ATOM 1002 C GLY A 64 10.099 -6.352 -2.129 1.00 0.00 C ATOM 1003 O GLY A 64 10.904 -5.522 -2.554 1.00 0.00 O ATOM 0 H GLY A 64 9.272 -7.582 -0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.648 -7.762 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.271 -8.450 -2.524 1.00 0.00 H new ATOM 1007 N ILE A 65 8.799 -6.094 -1.976 1.00 0.00 N ATOM 1008 CA ILE A 65 8.229 -4.789 -2.306 1.00 0.00 C ATOM 1009 C ILE A 65 8.744 -3.715 -1.352 1.00 0.00 C ATOM 1010 O ILE A 65 8.833 -3.934 -0.142 1.00 0.00 O ATOM 1011 CB ILE A 65 6.684 -4.806 -2.256 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.123 -6.005 -3.033 1.00 0.00 C ATOM 1013 CG2 ILE A 65 6.115 -3.502 -2.803 1.00 0.00 C ATOM 1014 CD1 ILE A 65 6.566 -6.064 -4.481 1.00 0.00 C ATOM 0 H ILE A 65 8.122 -6.772 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 65 8.543 -4.558 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 65 6.381 -4.905 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.429 -6.924 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.034 -5.970 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.026 -3.533 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.478 -2.667 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.433 -3.372 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.127 -6.939 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.237 -5.163 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.653 -6.132 -4.526 1.00 0.00 H new ATOM 1026 N ILE A 66 9.085 -2.556 -1.909 1.00 0.00 N ATOM 1027 CA ILE A 66 9.598 -1.442 -1.120 1.00 0.00 C ATOM 1028 C ILE A 66 8.588 -0.293 -1.068 1.00 0.00 C ATOM 1029 O ILE A 66 8.041 0.112 -2.095 1.00 0.00 O ATOM 1030 CB ILE A 66 10.936 -0.931 -1.697 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.987 -2.046 -1.683 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.433 0.279 -0.915 1.00 0.00 C ATOM 1033 CD1 ILE A 66 13.199 -1.746 -2.538 1.00 0.00 C ATOM 0 H ILE A 66 9.014 -2.364 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 66 9.765 -1.807 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 66 10.768 -0.626 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.310 -2.216 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.528 -2.971 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.377 0.623 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.695 1.079 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.583 0.001 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.900 -2.578 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.888 -1.605 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.683 -0.838 -2.178 1.00 0.00 H new ATOM 1045 N THR A 67 8.350 0.226 0.138 1.00 0.00 N ATOM 1046 CA THR A 67 7.410 1.327 0.334 1.00 0.00 C ATOM 1047 C THR A 67 8.072 2.485 1.080 1.00 0.00 C ATOM 1048 O THR A 67 8.823 2.272 2.034 1.00 0.00 O ATOM 1049 CB THR A 67 6.172 0.840 1.101 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.220 1.883 1.243 1.00 0.00 O ATOM 1051 CG2 THR A 67 6.481 0.311 2.487 1.00 0.00 C ATOM 0 H THR A 67 8.797 -0.101 0.994 1.00 0.00 H new ATOM 0 HA THR A 67 7.099 1.687 -0.647 1.00 0.00 H new ATOM 0 HB THR A 67 5.777 0.021 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.155 2.383 0.403 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.558 -0.014 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.166 -0.533 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.941 1.099 3.083 1.00 0.00 H new ATOM 1059 N LEU A 68 7.785 3.709 0.640 1.00 0.00 N ATOM 1060 CA LEU A 68 8.349 4.901 1.266 1.00 0.00 C ATOM 1061 C LEU A 68 7.246 5.871 1.684 1.00 0.00 C ATOM 1062 O LEU A 68 6.596 6.489 0.839 1.00 0.00 O ATOM 1063 CB LEU A 68 9.320 5.596 0.309 1.00 0.00 C ATOM 1064 CG LEU A 68 10.716 4.973 0.230 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.548 5.674 -0.833 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.409 5.037 1.586 1.00 0.00 C ATOM 0 H LEU A 68 7.165 3.900 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 68 8.891 4.589 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.883 5.596 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.421 6.638 0.613 1.00 0.00 H new ATOM 0 HG LEU A 68 10.613 3.924 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.538 5.220 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.059 5.574 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.644 6.730 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.400 4.589 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.504 6.077 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.820 4.490 2.322 1.00 0.00 H new ATOM 1078 N ILE A 69 7.045 5.999 2.995 1.00 0.00 N ATOM 1079 CA ILE A 69 6.027 6.894 3.537 1.00 0.00 C ATOM 1080 C ILE A 69 6.584 8.304 3.704 1.00 0.00 C ATOM 1081 O ILE A 69 7.373 8.565 4.616 1.00 0.00 O ATOM 1082 CB ILE A 69 5.497 6.395 4.900 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.082 4.922 4.813 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.328 7.253 5.370 1.00 0.00 C ATOM 1085 CD1 ILE A 69 5.317 4.151 6.094 1.00 0.00 C ATOM 0 H ILE A 69 7.577 5.492 3.702 1.00 0.00 H new ATOM 0 HA ILE A 69 5.201 6.907 2.825 1.00 0.00 H new ATOM 0 HB ILE A 69 6.302 6.482 5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.025 4.865 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.635 4.444 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.970 6.885 6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.655 8.287 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.522 7.201 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.001 3.117 5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.378 4.176 6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.742 4.604 6.902 1.00 0.00 H new ATOM 1097 N ASN A 70 6.171 9.208 2.813 1.00 0.00 N ATOM 1098 CA ASN A 70 6.627 10.597 2.849 1.00 0.00 C ATOM 1099 C ASN A 70 8.155 10.667 2.775 1.00 0.00 C ATOM 1100 O ASN A 70 8.794 11.395 3.538 1.00 0.00 O ATOM 1101 CB ASN A 70 6.115 11.290 4.120 1.00 0.00 C ATOM 1102 CG ASN A 70 5.468 12.634 3.834 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.943 12.865 2.744 1.00 0.00 O ATOM 1104 ND2 ASN A 70 5.500 13.529 4.815 1.00 0.00 N ATOM 0 H ASN A 70 5.520 9.001 2.056 1.00 0.00 H new ATOM 0 HA ASN A 70 6.222 11.118 1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.393 10.642 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.945 11.431 4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.079 14.448 4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.945 13.297 5.703 1.00 0.00 H new ATOM 1111 N ASP A 71 8.730 9.896 1.849 1.00 0.00 N ATOM 1112 CA ASP A 71 10.180 9.848 1.661 1.00 0.00 C ATOM 1113 C ASP A 71 10.885 9.338 2.922 1.00 0.00 C ATOM 1114 O ASP A 71 11.929 9.859 3.319 1.00 0.00 O ATOM 1115 CB ASP A 71 10.718 11.230 1.268 1.00 0.00 C ATOM 1116 CG ASP A 71 11.976 11.142 0.426 1.00 0.00 C ATOM 1117 OD1 ASP A 71 11.903 10.593 -0.694 1.00 0.00 O ATOM 1118 OD2 ASP A 71 13.035 11.619 0.886 1.00 0.00 O ATOM 0 H ASP A 71 8.208 9.292 1.214 1.00 0.00 H new ATOM 0 HA ASP A 71 10.390 9.149 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.951 11.772 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.927 11.806 2.170 1.00 0.00 H new ATOM 1123 N THR A 72 10.309 8.309 3.545 1.00 0.00 N ATOM 1124 CA THR A 72 10.880 7.722 4.755 1.00 0.00 C ATOM 1125 C THR A 72 10.629 6.216 4.791 1.00 0.00 C ATOM 1126 O THR A 72 9.696 5.721 4.156 1.00 0.00 O ATOM 1127 CB THR A 72 10.287 8.376 6.011 1.00 0.00 C ATOM 1128 OG1 THR A 72 9.788 9.674 5.728 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.283 8.501 7.146 1.00 0.00 C ATOM 0 H THR A 72 9.446 7.865 3.230 1.00 0.00 H new ATOM 0 HA THR A 72 11.955 7.903 4.740 1.00 0.00 H new ATOM 0 HB THR A 72 9.482 7.711 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.899 9.601 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.801 8.971 8.003 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.639 7.510 7.428 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.126 9.112 6.824 1.00 0.00 H new ATOM 1137 N ASP A 73 11.463 5.493 5.540 1.00 0.00 N ATOM 1138 CA ASP A 73 11.322 4.044 5.658 1.00 0.00 C ATOM 1139 C ASP A 73 10.228 3.682 6.658 1.00 0.00 C ATOM 1140 O ASP A 73 10.208 4.186 7.781 1.00 0.00 O ATOM 1141 CB ASP A 73 12.648 3.404 6.082 1.00 0.00 C ATOM 1142 CG ASP A 73 13.234 2.519 5.001 1.00 0.00 C ATOM 1143 OD1 ASP A 73 12.792 1.356 4.883 1.00 0.00 O ATOM 1144 OD2 ASP A 73 14.128 2.991 4.269 1.00 0.00 O ATOM 0 H ASP A 73 12.240 5.887 6.071 1.00 0.00 H new ATOM 0 HA ASP A 73 11.040 3.656 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.363 4.188 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.491 2.814 6.985 1.00 0.00 H new ATOM 1149 N TRP A 74 9.316 2.807 6.237 1.00 0.00 N ATOM 1150 CA TRP A 74 8.210 2.372 7.092 1.00 0.00 C ATOM 1151 C TRP A 74 8.716 1.748 8.397 1.00 0.00 C ATOM 1152 O TRP A 74 8.093 1.909 9.448 1.00 0.00 O ATOM 1153 CB TRP A 74 7.308 1.381 6.344 1.00 0.00 C ATOM 1154 CG TRP A 74 7.957 0.057 6.057 1.00 0.00 C ATOM 1155 CD1 TRP A 74 9.049 -0.174 5.270 1.00 0.00 C ATOM 1156 CD2 TRP A 74 7.544 -1.222 6.553 1.00 0.00 C ATOM 1157 NE1 TRP A 74 9.342 -1.517 5.251 1.00 0.00 N ATOM 1158 CE2 TRP A 74 8.432 -2.181 6.030 1.00 0.00 C ATOM 1159 CE3 TRP A 74 6.511 -1.648 7.392 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 8.315 -3.538 6.319 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 6.396 -2.996 7.677 1.00 0.00 C ATOM 1162 CH2 TRP A 74 7.293 -3.927 7.141 1.00 0.00 C ATOM 0 H TRP A 74 9.320 2.385 5.309 1.00 0.00 H new ATOM 0 HA TRP A 74 7.627 3.257 7.349 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.406 1.212 6.932 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.994 1.831 5.402 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.602 0.587 4.740 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.112 -1.949 4.740 1.00 0.00 H new ATOM 0 HE3 TRP A 74 5.814 -0.937 7.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 9.007 -4.258 5.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 5.601 -3.336 8.324 1.00 0.00 H new ATOM 0 HH2 TRP A 74 7.176 -4.973 7.381 1.00 0.00 H new ATOM 1173 N GLU A 75 9.844 1.037 8.325 1.00 0.00 N ATOM 1174 CA GLU A 75 10.427 0.393 9.502 1.00 0.00 C ATOM 1175 C GLU A 75 11.360 1.338 10.273 1.00 0.00 C ATOM 1176 O GLU A 75 11.900 0.964 11.316 1.00 0.00 O ATOM 1177 CB GLU A 75 11.190 -0.871 9.093 1.00 0.00 C ATOM 1178 CG GLU A 75 10.297 -2.089 8.899 1.00 0.00 C ATOM 1179 CD GLU A 75 10.974 -3.205 8.123 1.00 0.00 C ATOM 1180 OE1 GLU A 75 11.535 -2.926 7.041 1.00 0.00 O ATOM 1181 OE2 GLU A 75 10.941 -4.359 8.597 1.00 0.00 O ATOM 0 H GLU A 75 10.371 0.893 7.464 1.00 0.00 H new ATOM 0 HA GLU A 75 9.604 0.125 10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.729 -0.675 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.937 -1.096 9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.990 -2.467 9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.390 -1.788 8.374 1.00 0.00 H new ATOM 1188 N LEU A 76 11.544 2.562 9.768 1.00 0.00 N ATOM 1189 CA LEU A 76 12.407 3.542 10.429 1.00 0.00 C ATOM 1190 C LEU A 76 11.717 4.169 11.647 1.00 0.00 C ATOM 1191 O LEU A 76 12.377 4.781 12.489 1.00 0.00 O ATOM 1192 CB LEU A 76 12.825 4.641 9.444 1.00 0.00 C ATOM 1193 CG LEU A 76 14.315 5.003 9.465 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.797 5.367 8.068 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.577 6.146 10.436 1.00 0.00 C ATOM 0 H LEU A 76 11.109 2.895 8.908 1.00 0.00 H new ATOM 0 HA LEU A 76 13.295 3.014 10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.559 4.324 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.246 5.539 9.659 1.00 0.00 H new ATOM 0 HG LEU A 76 14.874 4.131 9.805 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.856 5.621 8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.649 4.519 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.231 6.222 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.640 6.387 10.436 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.006 7.022 10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.273 5.848 11.439 1.00 0.00 H new ATOM 1207 N GLU A 77 10.390 4.016 11.740 1.00 0.00 N ATOM 1208 CA GLU A 77 9.633 4.572 12.861 1.00 0.00 C ATOM 1209 C GLU A 77 8.590 3.578 13.373 1.00 0.00 C ATOM 1210 O GLU A 77 8.609 3.200 14.545 1.00 0.00 O ATOM 1211 CB GLU A 77 8.952 5.882 12.452 1.00 0.00 C ATOM 1212 CG GLU A 77 9.888 7.081 12.449 1.00 0.00 C ATOM 1213 CD GLU A 77 9.192 8.367 12.850 1.00 0.00 C ATOM 1214 OE1 GLU A 77 8.350 8.856 12.067 1.00 0.00 O ATOM 1215 OE2 GLU A 77 9.490 8.886 13.946 1.00 0.00 O ATOM 0 H GLU A 77 9.824 3.514 11.055 1.00 0.00 H new ATOM 0 HA GLU A 77 10.337 4.774 13.668 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.524 5.764 11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.125 6.080 13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.716 6.892 13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.317 7.200 11.454 1.00 0.00 H new ATOM 1222 N GLY A 78 7.681 3.161 12.490 1.00 0.00 N ATOM 1223 CA GLY A 78 6.644 2.218 12.876 1.00 0.00 C ATOM 1224 C GLY A 78 6.098 1.434 11.697 1.00 0.00 C ATOM 1225 O GLY A 78 5.449 2.003 10.818 1.00 0.00 O ATOM 0 H GLY A 78 7.646 3.460 11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.046 1.524 13.614 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.828 2.758 13.357 1.00 0.00 H new ATOM 1229 N GLU A 79 6.367 0.125 11.680 1.00 0.00 N ATOM 1230 CA GLU A 79 5.905 -0.753 10.600 1.00 0.00 C ATOM 1231 C GLU A 79 4.411 -0.559 10.328 1.00 0.00 C ATOM 1232 O GLU A 79 4.030 0.005 9.302 1.00 0.00 O ATOM 1233 CB GLU A 79 6.189 -2.219 10.946 1.00 0.00 C ATOM 1234 CG GLU A 79 7.651 -2.611 10.796 1.00 0.00 C ATOM 1235 CD GLU A 79 7.981 -3.921 11.485 1.00 0.00 C ATOM 1236 OE1 GLU A 79 7.369 -4.952 11.130 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.853 -3.918 12.380 1.00 0.00 O ATOM 0 H GLU A 79 6.904 -0.351 12.404 1.00 0.00 H new ATOM 0 HA GLU A 79 6.453 -0.487 9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.875 -2.408 11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.583 -2.858 10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.894 -2.691 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.279 -1.821 11.208 1.00 0.00 H new ATOM 1244 N LYS A 80 3.574 -1.025 11.254 1.00 0.00 N ATOM 1245 CA LYS A 80 2.125 -0.894 11.118 1.00 0.00 C ATOM 1246 C LYS A 80 1.577 0.150 12.092 1.00 0.00 C ATOM 1247 O LYS A 80 0.554 0.780 11.818 1.00 0.00 O ATOM 1248 CB LYS A 80 1.440 -2.243 11.357 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.078 -2.189 11.233 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.666 -3.556 10.912 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.814 -4.411 12.163 1.00 0.00 C ATOM 1252 NZ LYS A 80 -2.176 -4.304 12.763 1.00 0.00 N ATOM 0 H LYS A 80 3.875 -1.497 12.107 1.00 0.00 H new ATOM 0 HA LYS A 80 1.911 -0.564 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.829 -2.969 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.702 -2.602 12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.506 -1.818 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.354 -1.481 10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.640 -3.432 10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.026 -4.069 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.609 -5.452 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.070 -4.106 12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.230 -4.903 13.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.363 -3.315 13.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.886 -4.620 12.071 1.00 0.00 H new ATOM 1266 N ASP A 81 2.264 0.330 13.226 1.00 0.00 N ATOM 1267 CA ASP A 81 1.849 1.302 14.239 1.00 0.00 C ATOM 1268 C ASP A 81 1.644 2.689 13.625 1.00 0.00 C ATOM 1269 O ASP A 81 0.799 3.457 14.087 1.00 0.00 O ATOM 1270 CB ASP A 81 2.887 1.377 15.363 1.00 0.00 C ATOM 1271 CG ASP A 81 2.268 1.751 16.697 1.00 0.00 C ATOM 1272 OD1 ASP A 81 2.034 2.957 16.927 1.00 0.00 O ATOM 1273 OD2 ASP A 81 2.018 0.838 17.511 1.00 0.00 O ATOM 0 H ASP A 81 3.111 -0.187 13.464 1.00 0.00 H new ATOM 0 HA ASP A 81 0.898 0.967 14.652 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.389 0.414 15.456 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.650 2.110 15.101 1.00 0.00 H new ATOM 1278 N TYR A 82 2.419 2.999 12.580 1.00 0.00 N ATOM 1279 CA TYR A 82 2.318 4.289 11.897 1.00 0.00 C ATOM 1280 C TYR A 82 0.860 4.624 11.580 1.00 0.00 C ATOM 1281 O TYR A 82 0.190 3.895 10.846 1.00 0.00 O ATOM 1282 CB TYR A 82 3.142 4.265 10.605 1.00 0.00 C ATOM 1283 CG TYR A 82 3.076 5.553 9.808 1.00 0.00 C ATOM 1284 CD1 TYR A 82 2.016 5.806 8.944 1.00 0.00 C ATOM 1285 CD2 TYR A 82 4.075 6.512 9.917 1.00 0.00 C ATOM 1286 CE1 TYR A 82 1.952 6.978 8.217 1.00 0.00 C ATOM 1287 CE2 TYR A 82 4.017 7.688 9.192 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.955 7.916 8.342 1.00 0.00 C ATOM 1289 OH TYR A 82 2.896 9.085 7.618 1.00 0.00 O ATOM 0 H TYR A 82 3.123 2.372 12.190 1.00 0.00 H new ATOM 0 HA TYR A 82 2.712 5.059 12.560 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.183 4.056 10.854 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.793 3.444 9.979 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.229 5.073 8.840 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.910 6.336 10.579 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.120 7.159 7.553 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.800 8.425 9.291 1.00 0.00 H new ATOM 0 HH TYR A 82 3.680 9.637 7.823 1.00 0.00 H new ATOM 1299 N ILE A 83 0.379 5.733 12.140 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.996 6.172 11.922 1.00 0.00 C ATOM 1301 C ILE A 83 -1.131 6.888 10.577 1.00 0.00 C ATOM 1302 O ILE A 83 -0.243 7.643 10.177 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.478 7.115 13.051 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.169 6.513 14.429 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.970 7.399 12.918 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -1.296 7.504 15.567 1.00 0.00 C ATOM 0 H ILE A 83 0.923 6.344 12.749 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.620 5.278 11.923 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.939 8.058 12.957 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.844 5.676 14.610 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.156 6.110 14.421 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.287 8.064 13.722 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.166 7.873 11.956 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.525 6.463 12.981 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.063 7.008 16.509 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.601 8.329 15.410 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.315 7.889 15.602 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.247 6.647 9.887 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.504 7.270 8.591 1.00 0.00 C ATOM 1320 C LEU A 84 -2.597 8.791 8.724 1.00 0.00 C ATOM 1321 O LEU A 84 -2.491 9.336 9.826 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.797 6.710 7.983 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.701 5.282 7.427 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.959 4.923 6.646 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.467 5.123 6.548 1.00 0.00 C ATOM 0 H LEU A 84 -2.988 6.023 10.206 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.670 7.037 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.576 6.733 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.117 7.373 7.180 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.610 4.598 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.871 3.907 6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.826 4.987 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.082 5.617 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.421 4.103 6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.523 5.821 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.573 5.331 7.135 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.794 9.474 7.595 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.894 10.926 7.585 1.00 0.00 C ATOM 1339 C GLU A 85 -3.527 11.416 6.290 1.00 0.00 C ATOM 1340 O GLU A 85 -2.857 11.512 5.261 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.511 11.560 7.749 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.420 12.531 8.913 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.001 13.002 9.165 1.00 0.00 C ATOM 1344 OE1 GLU A 85 0.583 13.644 8.266 1.00 0.00 O ATOM 1345 OE2 GLU A 85 0.527 12.729 10.264 1.00 0.00 O ATOM 0 H GLU A 85 -2.887 9.040 6.677 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.526 11.223 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.773 10.770 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.249 12.083 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.056 13.394 8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.806 12.052 9.813 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.819 11.724 6.353 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.560 12.215 5.190 1.00 0.00 C ATOM 1354 C ASP A 86 -4.743 13.257 4.425 1.00 0.00 C ATOM 1355 O ASP A 86 -4.604 14.399 4.871 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.894 12.828 5.626 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.852 13.022 4.467 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.514 13.777 3.532 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.942 12.418 4.494 1.00 0.00 O ATOM 0 H ASP A 86 -5.379 11.642 7.201 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.752 11.367 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.359 12.184 6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.709 13.790 6.105 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.199 12.851 3.279 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.392 13.751 2.473 1.00 0.00 C ATOM 1366 C GLY A 87 -1.905 13.423 2.521 1.00 0.00 C ATOM 1367 O GLY A 87 -1.067 14.307 2.337 1.00 0.00 O ATOM 0 H GLY A 87 -4.304 11.912 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.734 13.709 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.544 14.774 2.818 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.577 12.152 2.766 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.185 11.716 2.836 1.00 0.00 C ATOM 1373 C ASP A 88 0.232 11.011 1.545 1.00 0.00 C ATOM 1374 O ASP A 88 -0.606 10.715 0.690 1.00 0.00 O ATOM 1375 CB ASP A 88 0.015 10.779 4.030 1.00 0.00 C ATOM 1376 CG ASP A 88 1.296 11.067 4.788 1.00 0.00 C ATOM 1377 OD1 ASP A 88 1.355 12.106 5.479 1.00 0.00 O ATOM 1378 OD2 ASP A 88 2.239 10.254 4.690 1.00 0.00 O ATOM 0 H ASP A 88 -2.258 11.409 2.919 1.00 0.00 H new ATOM 0 HA ASP A 88 0.442 12.599 2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.833 10.874 4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.029 9.747 3.679 1.00 0.00 H new ATOM 1383 N ILE A 89 1.534 10.748 1.409 1.00 0.00 N ATOM 1384 CA ILE A 89 2.063 10.079 0.223 1.00 0.00 C ATOM 1385 C ILE A 89 2.807 8.794 0.592 1.00 0.00 C ATOM 1386 O ILE A 89 3.753 8.819 1.382 1.00 0.00 O ATOM 1387 CB ILE A 89 3.013 11.001 -0.576 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.375 12.379 -0.794 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.373 10.366 -1.913 1.00 0.00 C ATOM 1390 CD1 ILE A 89 1.084 12.339 -1.587 1.00 0.00 C ATOM 0 H ILE A 89 2.239 10.989 2.106 1.00 0.00 H new ATOM 0 HA ILE A 89 1.204 9.830 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 89 3.927 11.133 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.180 12.836 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.088 13.021 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.042 11.029 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.869 9.411 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.466 10.203 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.694 13.351 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.275 11.913 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.353 11.725 -1.061 1.00 0.00 H new ATOM 1402 N ILE A 90 2.371 7.674 0.011 1.00 0.00 N ATOM 1403 CA ILE A 90 2.988 6.373 0.269 1.00 0.00 C ATOM 1404 C ILE A 90 3.396 5.696 -1.042 1.00 0.00 C ATOM 1405 O ILE A 90 2.543 5.231 -1.800 1.00 0.00 O ATOM 1406 CB ILE A 90 2.029 5.445 1.049 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.608 6.097 2.371 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.673 4.089 1.299 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.287 6.830 2.287 1.00 0.00 C ATOM 0 H ILE A 90 1.590 7.643 -0.644 1.00 0.00 H new ATOM 0 HA ILE A 90 3.877 6.549 0.874 1.00 0.00 H new ATOM 0 HB ILE A 90 1.136 5.289 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.540 5.328 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.383 6.796 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.980 3.453 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.916 3.620 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.585 4.221 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.051 7.267 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.357 7.621 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.500 6.131 2.003 1.00 0.00 H new ATOM 1421 N SER A 91 4.701 5.650 -1.308 1.00 0.00 N ATOM 1422 CA SER A 91 5.212 5.037 -2.537 1.00 0.00 C ATOM 1423 C SER A 91 5.307 3.516 -2.410 1.00 0.00 C ATOM 1424 O SER A 91 5.375 2.980 -1.304 1.00 0.00 O ATOM 1425 CB SER A 91 6.589 5.606 -2.891 1.00 0.00 C ATOM 1426 OG SER A 91 6.667 6.990 -2.593 1.00 0.00 O ATOM 0 H SER A 91 5.422 6.028 -0.693 1.00 0.00 H new ATOM 0 HA SER A 91 4.506 5.273 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.360 5.069 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.788 5.448 -3.951 1.00 0.00 H new ATOM 0 HG SER A 91 7.557 7.325 -2.828 1.00 0.00 H new ATOM 1432 N PHE A 92 5.313 2.831 -3.555 1.00 0.00 N ATOM 1433 CA PHE A 92 5.402 1.372 -3.586 1.00 0.00 C ATOM 1434 C PHE A 92 6.176 0.894 -4.817 1.00 0.00 C ATOM 1435 O PHE A 92 5.583 0.524 -5.832 1.00 0.00 O ATOM 1436 CB PHE A 92 3.998 0.760 -3.575 1.00 0.00 C ATOM 1437 CG PHE A 92 3.463 0.507 -2.195 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.935 -0.554 -1.440 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.490 1.332 -1.654 1.00 0.00 C ATOM 1440 CE1 PHE A 92 3.445 -0.789 -0.171 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.997 1.101 -0.385 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.475 0.040 0.358 1.00 0.00 C ATOM 0 H PHE A 92 5.257 3.266 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 92 5.942 1.044 -2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.316 1.426 -4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.016 -0.180 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.694 -1.204 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.113 2.164 -2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.820 -1.620 0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.238 1.750 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.091 -0.141 1.351 1.00 0.00 H new ATOM 1452 N THR A 93 7.507 0.909 -4.718 1.00 0.00 N ATOM 1453 CA THR A 93 8.372 0.480 -5.820 1.00 0.00 C ATOM 1454 C THR A 93 8.706 -1.011 -5.714 1.00 0.00 C ATOM 1455 O THR A 93 8.521 -1.627 -4.661 1.00 0.00 O ATOM 1456 CB THR A 93 9.668 1.303 -5.835 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.448 2.610 -5.331 1.00 0.00 O ATOM 1458 CG2 THR A 93 10.278 1.443 -7.216 1.00 0.00 C ATOM 0 H THR A 93 8.010 1.214 -3.885 1.00 0.00 H new ATOM 0 HA THR A 93 7.831 0.646 -6.751 1.00 0.00 H new ATOM 0 HB THR A 93 10.361 0.748 -5.202 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.289 3.113 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 93 11.190 2.036 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.514 0.455 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.569 1.939 -7.879 1.00 0.00 H new ATOM 1466 N SER A 94 9.203 -1.585 -6.814 1.00 0.00 N ATOM 1467 CA SER A 94 9.566 -3.001 -6.849 1.00 0.00 C ATOM 1468 C SER A 94 10.999 -3.194 -7.343 1.00 0.00 C ATOM 1469 O SER A 94 11.400 -2.612 -8.353 1.00 0.00 O ATOM 1470 CB SER A 94 8.599 -3.776 -7.750 1.00 0.00 C ATOM 1471 OG SER A 94 8.286 -5.042 -7.195 1.00 0.00 O ATOM 0 H SER A 94 9.362 -1.089 -7.691 1.00 0.00 H new ATOM 0 HA SER A 94 9.499 -3.387 -5.832 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.684 -3.200 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.043 -3.908 -8.737 1.00 0.00 H new ATOM 0 HG SER A 94 7.666 -5.515 -7.789 1.00 0.00 H new ATOM 1477 N THR A 95 11.763 -4.021 -6.628 1.00 0.00 N ATOM 1478 CA THR A 95 13.152 -4.301 -6.997 1.00 0.00 C ATOM 1479 C THR A 95 13.222 -5.458 -7.992 1.00 0.00 C ATOM 1480 O THR A 95 13.652 -5.282 -9.133 1.00 0.00 O ATOM 1481 CB THR A 95 13.993 -4.634 -5.759 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.175 -5.092 -4.690 1.00 0.00 O ATOM 1483 CG2 THR A 95 14.809 -3.462 -5.260 1.00 0.00 C ATOM 0 H THR A 95 11.444 -4.508 -5.791 1.00 0.00 H new ATOM 0 HA THR A 95 13.558 -3.404 -7.464 1.00 0.00 H new ATOM 0 HB THR A 95 14.678 -5.419 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.736 -5.299 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.381 -3.764 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.492 -3.135 -6.044 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.142 -2.642 -4.994 1.00 0.00 H new