USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 168:sc= -0.0145 (180deg=-0.221) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.4) USER MOD Single : A 7 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.0057) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 154:sc= -0.634 (180deg=-2.3!) USER MOD Single : A 38 SER OG : rot 180:sc= -2.22! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 52 ASN : amide:sc= -1.24 K(o=-1.2,f=-2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0568) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -141:sc= 0 (180deg=-0.103) USER MOD Single : A 85 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.012) USER MOD Single : A 86 MET CE :methyl -142:sc= -1.96 (180deg=-5.19!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.885 4.940 -17.902 1.00 0.00 N ATOM 2 CA ALA A 1 -22.893 5.596 -17.025 1.00 0.00 C ATOM 3 C ALA A 1 -22.607 4.698 -15.791 1.00 0.00 C ATOM 4 O ALA A 1 -23.037 5.004 -14.672 1.00 0.00 O ATOM 5 CB ALA A 1 -23.400 6.991 -16.613 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.073 5.545 -18.727 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.512 4.024 -18.223 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.769 4.789 -17.375 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.955 5.730 -17.564 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -22.664 7.469 -15.967 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.551 7.601 -17.504 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.344 6.891 -16.077 1.00 0.00 H new ATOM 13 N SER A 2 -21.887 3.584 -16.019 1.00 0.00 N ATOM 14 CA SER A 2 -21.531 2.614 -14.950 1.00 0.00 C ATOM 15 C SER A 2 -19.986 2.490 -14.845 1.00 0.00 C ATOM 16 O SER A 2 -19.405 1.472 -15.239 1.00 0.00 O ATOM 17 CB SER A 2 -22.211 1.257 -15.240 1.00 0.00 C ATOM 18 OG SER A 2 -23.593 1.422 -15.542 1.00 0.00 O ATOM 0 H SER A 2 -21.535 3.326 -16.941 1.00 0.00 H new ATOM 0 HA SER A 2 -21.894 2.966 -13.984 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.710 0.769 -16.076 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.102 0.602 -14.376 1.00 0.00 H new ATOM 0 HG SER A 2 -23.995 0.547 -15.722 1.00 0.00 H new ATOM 24 N MET A 3 -19.341 3.535 -14.293 1.00 0.00 N ATOM 25 CA MET A 3 -17.865 3.580 -14.122 1.00 0.00 C ATOM 26 C MET A 3 -17.528 4.116 -12.703 1.00 0.00 C ATOM 27 O MET A 3 -17.649 5.318 -12.437 1.00 0.00 O ATOM 28 CB MET A 3 -17.232 4.446 -15.246 1.00 0.00 C ATOM 29 CG MET A 3 -18.155 4.777 -16.434 1.00 0.00 C ATOM 30 SD MET A 3 -17.548 6.216 -17.345 1.00 0.00 S ATOM 31 CE MET A 3 -15.865 5.709 -17.752 1.00 0.00 C ATOM 0 H MET A 3 -19.819 4.370 -13.953 1.00 0.00 H new ATOM 0 HA MET A 3 -17.442 2.579 -14.208 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.886 5.382 -14.807 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.352 3.928 -15.627 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.216 3.918 -17.102 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.165 4.971 -16.072 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.446 6.396 -18.487 1.00 0.00 H new ATOM 0 HE2 MET A 3 -15.253 5.724 -16.850 1.00 0.00 H new ATOM 0 HE3 MET A 3 -15.879 4.700 -18.165 1.00 0.00 H new ATOM 41 N THR A 4 -17.107 3.206 -11.806 1.00 0.00 N ATOM 42 CA THR A 4 -16.641 3.564 -10.440 1.00 0.00 C ATOM 43 C THR A 4 -15.487 4.600 -10.519 1.00 0.00 C ATOM 44 O THR A 4 -14.596 4.488 -11.370 1.00 0.00 O ATOM 45 CB THR A 4 -16.309 2.286 -9.608 1.00 0.00 C ATOM 46 OG1 THR A 4 -17.472 1.468 -9.520 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.760 2.485 -8.181 1.00 0.00 C ATOM 0 H THR A 4 -17.077 2.205 -11.999 1.00 0.00 H new ATOM 0 HA THR A 4 -17.446 4.056 -9.893 1.00 0.00 H new ATOM 0 HB THR A 4 -15.488 1.830 -10.162 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.267 0.663 -9.000 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.575 1.513 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.828 3.049 -8.225 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.488 3.034 -7.584 1.00 0.00 H new ATOM 55 N ASP A 5 -15.520 5.607 -9.626 1.00 0.00 N ATOM 56 CA ASP A 5 -14.440 6.621 -9.498 1.00 0.00 C ATOM 57 C ASP A 5 -13.341 6.062 -8.553 1.00 0.00 C ATOM 58 O ASP A 5 -13.207 6.509 -7.407 1.00 0.00 O ATOM 59 CB ASP A 5 -14.996 7.994 -9.019 1.00 0.00 C ATOM 60 CG ASP A 5 -16.517 8.189 -9.145 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.270 7.631 -8.317 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.960 8.897 -10.076 1.00 0.00 O ATOM 0 H ASP A 5 -16.290 5.746 -8.972 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.997 6.809 -10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.718 8.131 -7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.501 8.782 -9.587 1.00 0.00 H new ATOM 67 N GLN A 6 -12.546 5.105 -9.065 1.00 0.00 N ATOM 68 CA GLN A 6 -11.415 4.496 -8.316 1.00 0.00 C ATOM 69 C GLN A 6 -10.157 5.382 -8.530 1.00 0.00 C ATOM 70 O GLN A 6 -9.512 5.810 -7.567 1.00 0.00 O ATOM 71 CB GLN A 6 -11.195 3.026 -8.774 1.00 0.00 C ATOM 72 CG GLN A 6 -9.750 2.482 -8.653 1.00 0.00 C ATOM 73 CD GLN A 6 -9.655 0.952 -8.523 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.242 0.349 -7.624 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.924 0.292 -9.410 1.00 0.00 N ATOM 0 H GLN A 6 -12.663 4.728 -10.006 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.632 4.456 -7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.853 2.383 -8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.507 2.941 -9.815 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.182 2.796 -9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.275 2.938 -7.785 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.441 0.799 -10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.844 -0.723 -9.351 1.00 0.00 H new ATOM 84 N GLN A 7 -9.810 5.619 -9.809 1.00 0.00 N ATOM 85 CA GLN A 7 -8.605 6.399 -10.197 1.00 0.00 C ATOM 86 C GLN A 7 -8.850 7.896 -9.862 1.00 0.00 C ATOM 87 O GLN A 7 -7.905 8.637 -9.564 1.00 0.00 O ATOM 88 CB GLN A 7 -8.290 6.242 -11.712 1.00 0.00 C ATOM 89 CG GLN A 7 -9.106 7.137 -12.672 1.00 0.00 C ATOM 90 CD GLN A 7 -10.473 6.529 -13.027 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.559 5.459 -13.630 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.564 7.187 -12.664 1.00 0.00 N ATOM 0 H GLN A 7 -10.350 5.279 -10.605 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.748 6.020 -9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.231 6.450 -11.866 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.454 5.201 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.255 8.114 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.535 7.298 -13.587 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.483 8.073 -12.165 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.485 6.808 -12.884 1.00 0.00 H new ATOM 101 N ALA A 8 -10.124 8.327 -9.919 1.00 0.00 N ATOM 102 CA ALA A 8 -10.519 9.731 -9.627 1.00 0.00 C ATOM 103 C ALA A 8 -10.199 10.080 -8.148 1.00 0.00 C ATOM 104 O ALA A 8 -9.857 11.225 -7.829 1.00 0.00 O ATOM 105 CB ALA A 8 -12.015 9.912 -9.950 1.00 0.00 C ATOM 0 H ALA A 8 -10.908 7.723 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.949 10.419 -10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.311 10.939 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.189 9.694 -11.004 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.605 9.231 -9.337 1.00 0.00 H new ATOM 111 N GLU A 9 -10.347 9.084 -7.255 1.00 0.00 N ATOM 112 CA GLU A 9 -10.174 9.266 -5.789 1.00 0.00 C ATOM 113 C GLU A 9 -8.701 9.655 -5.493 1.00 0.00 C ATOM 114 O GLU A 9 -8.433 10.545 -4.675 1.00 0.00 O ATOM 115 CB GLU A 9 -10.606 8.000 -4.994 1.00 0.00 C ATOM 116 CG GLU A 9 -9.488 6.992 -4.638 1.00 0.00 C ATOM 117 CD GLU A 9 -8.835 7.275 -3.282 1.00 0.00 C ATOM 118 OE1 GLU A 9 -8.772 8.456 -2.875 1.00 0.00 O ATOM 119 OE2 GLU A 9 -8.386 6.317 -2.615 1.00 0.00 O ATOM 0 H GLU A 9 -10.589 8.130 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.827 10.072 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.080 8.324 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.365 7.476 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.904 5.984 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.724 7.016 -5.415 1.00 0.00 H new ATOM 126 N ALA A 10 -7.754 8.955 -6.145 1.00 0.00 N ATOM 127 CA ALA A 10 -6.297 9.145 -5.913 1.00 0.00 C ATOM 128 C ALA A 10 -5.796 10.429 -6.630 1.00 0.00 C ATOM 129 O ALA A 10 -4.845 11.074 -6.176 1.00 0.00 O ATOM 130 CB ALA A 10 -5.545 7.889 -6.395 1.00 0.00 C ATOM 0 H ALA A 10 -7.968 8.244 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.104 9.278 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.476 8.019 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.895 7.019 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.731 7.739 -7.458 1.00 0.00 H new ATOM 136 N ARG A 11 -6.432 10.764 -7.768 1.00 0.00 N ATOM 137 CA ARG A 11 -6.015 11.893 -8.640 1.00 0.00 C ATOM 138 C ARG A 11 -6.302 13.218 -7.882 1.00 0.00 C ATOM 139 O ARG A 11 -5.524 14.175 -7.965 1.00 0.00 O ATOM 140 CB ARG A 11 -6.769 11.843 -10.000 1.00 0.00 C ATOM 141 CG ARG A 11 -6.288 12.862 -11.058 1.00 0.00 C ATOM 142 CD ARG A 11 -6.977 12.672 -12.423 1.00 0.00 C ATOM 143 NE ARG A 11 -6.758 13.835 -13.319 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.771 15.124 -12.922 1.00 0.00 C ATOM 145 NH1 ARG A 11 -7.554 15.528 -11.931 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.046 16.040 -13.551 1.00 0.00 N ATOM 0 H ARG A 11 -7.250 10.263 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.951 11.824 -8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.671 10.840 -10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.830 12.009 -9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.479 13.872 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.209 12.767 -11.184 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.596 11.769 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.047 12.526 -12.273 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.585 13.646 -14.306 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.160 14.860 -11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.550 16.507 -11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.467 15.774 -14.348 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.067 17.011 -13.238 1.00 0.00 H new ATOM 160 N ALA A 12 -7.444 13.259 -7.169 1.00 0.00 N ATOM 161 CA ALA A 12 -7.899 14.470 -6.435 1.00 0.00 C ATOM 162 C ALA A 12 -6.990 14.713 -5.199 1.00 0.00 C ATOM 163 O ALA A 12 -6.812 15.857 -4.763 1.00 0.00 O ATOM 164 CB ALA A 12 -9.378 14.297 -6.035 1.00 0.00 C ATOM 0 H ALA A 12 -8.077 12.464 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.821 15.348 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.715 15.183 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.984 14.164 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.482 13.421 -5.394 1.00 0.00 H new ATOM 170 N PHE A 13 -6.449 13.620 -4.629 1.00 0.00 N ATOM 171 CA PHE A 13 -5.585 13.680 -3.420 1.00 0.00 C ATOM 172 C PHE A 13 -4.212 14.304 -3.792 1.00 0.00 C ATOM 173 O PHE A 13 -3.711 15.192 -3.094 1.00 0.00 O ATOM 174 CB PHE A 13 -5.466 12.253 -2.811 1.00 0.00 C ATOM 175 CG PHE A 13 -4.703 12.174 -1.474 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.355 12.547 -1.406 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.347 11.721 -0.316 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.661 12.460 -0.202 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.650 11.635 0.887 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.308 12.002 0.943 1.00 0.00 C ATOM 0 H PHE A 13 -6.593 12.675 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.023 14.322 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.469 11.853 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.969 11.607 -3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.851 12.904 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.388 11.437 -0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.621 12.748 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.151 11.283 1.777 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.768 11.931 1.876 1.00 0.00 H new ATOM 190 N LEU A 14 -3.622 13.820 -4.901 1.00 0.00 N ATOM 191 CA LEU A 14 -2.261 14.223 -5.344 1.00 0.00 C ATOM 192 C LEU A 14 -2.415 15.350 -6.402 1.00 0.00 C ATOM 193 O LEU A 14 -3.525 15.632 -6.867 1.00 0.00 O ATOM 194 CB LEU A 14 -1.474 13.002 -5.908 1.00 0.00 C ATOM 195 CG LEU A 14 -1.624 11.645 -5.161 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.811 10.533 -5.854 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.222 11.740 -3.674 1.00 0.00 C ATOM 0 H LEU A 14 -4.068 13.141 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.683 14.596 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.781 12.852 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.416 13.262 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.683 11.391 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.936 9.597 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.165 10.407 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.244 10.807 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.346 10.766 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.180 12.051 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.856 12.471 -3.172 1.00 0.00 H new ATOM 209 N SER A 15 -1.280 15.961 -6.789 1.00 0.00 N ATOM 210 CA SER A 15 -1.246 17.041 -7.812 1.00 0.00 C ATOM 211 C SER A 15 -0.494 16.544 -9.077 1.00 0.00 C ATOM 212 O SER A 15 -0.184 15.353 -9.200 1.00 0.00 O ATOM 213 CB SER A 15 -0.601 18.307 -7.203 1.00 0.00 C ATOM 214 OG SER A 15 -0.954 18.461 -5.831 1.00 0.00 O ATOM 0 H SER A 15 -0.363 15.727 -6.409 1.00 0.00 H new ATOM 0 HA SER A 15 -2.258 17.302 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.483 18.246 -7.297 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.920 19.186 -7.763 1.00 0.00 H new ATOM 0 HG SER A 15 -0.530 19.269 -5.473 1.00 0.00 H new ATOM 220 N GLU A 16 -0.240 17.468 -10.022 1.00 0.00 N ATOM 221 CA GLU A 16 0.435 17.149 -11.309 1.00 0.00 C ATOM 222 C GLU A 16 1.971 17.193 -11.084 1.00 0.00 C ATOM 223 O GLU A 16 2.714 16.375 -11.638 1.00 0.00 O ATOM 224 CB GLU A 16 -0.058 18.110 -12.429 1.00 0.00 C ATOM 225 CG GLU A 16 0.405 17.786 -13.869 1.00 0.00 C ATOM 226 CD GLU A 16 -0.430 16.709 -14.570 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.607 16.516 -14.193 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.089 16.049 -15.497 1.00 0.00 O ATOM 0 H GLU A 16 -0.492 18.452 -9.923 1.00 0.00 H new ATOM 0 HA GLU A 16 0.180 16.145 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.148 18.120 -12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.273 19.119 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.372 18.699 -14.463 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.445 17.462 -13.840 1.00 0.00 H new ATOM 235 N GLU A 17 2.421 18.164 -10.263 1.00 0.00 N ATOM 236 CA GLU A 17 3.867 18.398 -10.003 1.00 0.00 C ATOM 237 C GLU A 17 4.342 17.372 -8.939 1.00 0.00 C ATOM 238 O GLU A 17 5.494 16.922 -8.965 1.00 0.00 O ATOM 239 CB GLU A 17 4.122 19.879 -9.596 1.00 0.00 C ATOM 240 CG GLU A 17 2.922 20.646 -8.990 1.00 0.00 C ATOM 241 CD GLU A 17 3.319 21.818 -8.086 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.494 21.885 -7.663 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.456 22.675 -7.793 1.00 0.00 O ATOM 0 H GLU A 17 1.804 18.805 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 17 4.455 18.242 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.939 19.899 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.463 20.421 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.298 21.022 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.312 19.949 -8.416 1.00 0.00 H new ATOM 250 N MET A 18 3.434 17.004 -8.016 1.00 0.00 N ATOM 251 CA MET A 18 3.699 15.978 -6.973 1.00 0.00 C ATOM 252 C MET A 18 3.762 14.588 -7.666 1.00 0.00 C ATOM 253 O MET A 18 4.491 13.695 -7.216 1.00 0.00 O ATOM 254 CB MET A 18 2.629 16.026 -5.846 1.00 0.00 C ATOM 255 CG MET A 18 2.869 17.067 -4.737 1.00 0.00 C ATOM 256 SD MET A 18 1.780 16.739 -3.333 1.00 0.00 S ATOM 257 CE MET A 18 2.883 15.821 -2.237 1.00 0.00 C ATOM 0 H MET A 18 2.497 17.404 -7.967 1.00 0.00 H new ATOM 0 HA MET A 18 4.653 16.178 -6.485 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.659 16.225 -6.301 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.569 15.040 -5.386 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.910 17.034 -4.415 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.686 18.070 -5.123 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.348 15.550 -1.327 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.225 14.916 -2.740 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.742 16.442 -1.982 1.00 0.00 H new ATOM 267 N ILE A 19 2.968 14.413 -8.739 1.00 0.00 N ATOM 268 CA ILE A 19 2.867 13.127 -9.481 1.00 0.00 C ATOM 269 C ILE A 19 4.287 12.826 -10.033 1.00 0.00 C ATOM 270 O ILE A 19 4.701 11.662 -10.104 1.00 0.00 O ATOM 271 CB ILE A 19 1.729 13.162 -10.569 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.409 12.482 -10.084 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.178 12.546 -11.922 1.00 0.00 C ATOM 274 CD1 ILE A 19 0.138 12.547 -8.571 1.00 0.00 C ATOM 0 H ILE A 19 2.377 15.152 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 19 2.560 12.307 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 19 1.522 14.220 -10.730 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.429 12.946 -10.604 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.430 11.435 -10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.355 12.596 -12.635 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.030 13.104 -12.311 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.464 11.505 -11.771 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.803 12.044 -8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.949 12.054 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.076 13.589 -8.257 1.00 0.00 H new ATOM 286 N ALA A 20 5.011 13.882 -10.450 1.00 0.00 N ATOM 287 CA ALA A 20 6.348 13.749 -11.089 1.00 0.00 C ATOM 288 C ALA A 20 7.249 12.803 -10.248 1.00 0.00 C ATOM 289 O ALA A 20 8.125 12.119 -10.790 1.00 0.00 O ATOM 290 CB ALA A 20 6.973 15.149 -11.248 1.00 0.00 C ATOM 0 H ALA A 20 4.695 14.847 -10.358 1.00 0.00 H new ATOM 0 HA ALA A 20 6.249 13.305 -12.080 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.953 15.059 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.328 15.767 -11.873 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.080 15.613 -10.268 1.00 0.00 H new ATOM 296 N GLU A 21 7.023 12.790 -8.922 1.00 0.00 N ATOM 297 CA GLU A 21 7.810 11.958 -7.973 1.00 0.00 C ATOM 298 C GLU A 21 7.633 10.466 -8.367 1.00 0.00 C ATOM 299 O GLU A 21 8.611 9.729 -8.544 1.00 0.00 O ATOM 300 CB GLU A 21 7.393 12.269 -6.507 1.00 0.00 C ATOM 301 CG GLU A 21 7.845 13.634 -5.936 1.00 0.00 C ATOM 302 CD GLU A 21 9.219 14.098 -6.431 1.00 0.00 C ATOM 303 OE1 GLU A 21 10.245 13.653 -5.871 1.00 0.00 O ATOM 304 OE2 GLU A 21 9.277 14.907 -7.383 1.00 0.00 O ATOM 0 H GLU A 21 6.297 13.349 -8.473 1.00 0.00 H new ATOM 0 HA GLU A 21 8.873 12.193 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.306 12.215 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.790 11.482 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.103 14.388 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.865 13.571 -4.848 1.00 0.00 H new ATOM 311 N PHE A 22 6.362 10.028 -8.470 1.00 0.00 N ATOM 312 CA PHE A 22 6.012 8.622 -8.802 1.00 0.00 C ATOM 313 C PHE A 22 5.965 8.436 -10.345 1.00 0.00 C ATOM 314 O PHE A 22 5.452 7.406 -10.815 1.00 0.00 O ATOM 315 CB PHE A 22 4.655 8.233 -8.136 1.00 0.00 C ATOM 316 CG PHE A 22 4.431 8.779 -6.711 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.067 10.116 -6.516 1.00 0.00 C ATOM 318 CD2 PHE A 22 4.565 7.937 -5.600 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.788 10.590 -5.237 1.00 0.00 C ATOM 320 CE2 PHE A 22 4.282 8.413 -4.321 1.00 0.00 C ATOM 321 CZ PHE A 22 3.889 9.736 -4.141 1.00 0.00 C ATOM 0 H PHE A 22 5.551 10.630 -8.328 1.00 0.00 H new ATOM 0 HA PHE A 22 6.779 7.956 -8.407 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.844 8.586 -8.773 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.585 7.146 -8.104 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.002 10.784 -7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.889 6.915 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.493 11.619 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.368 7.755 -3.469 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.662 10.101 -3.150 1.00 0.00 H new ATOM 331 N LYS A 23 6.457 9.419 -11.119 1.00 0.00 N ATOM 332 CA LYS A 23 6.479 9.362 -12.605 1.00 0.00 C ATOM 333 C LYS A 23 7.800 8.670 -13.038 1.00 0.00 C ATOM 334 O LYS A 23 7.831 7.927 -14.026 1.00 0.00 O ATOM 335 CB LYS A 23 6.358 10.780 -13.236 1.00 0.00 C ATOM 336 CG LYS A 23 5.568 10.896 -14.562 1.00 0.00 C ATOM 337 CD LYS A 23 4.336 11.824 -14.508 1.00 0.00 C ATOM 338 CE LYS A 23 4.716 13.316 -14.525 1.00 0.00 C ATOM 339 NZ LYS A 23 3.783 14.103 -15.349 1.00 0.00 N ATOM 0 H LYS A 23 6.853 10.279 -10.739 1.00 0.00 H new ATOM 0 HA LYS A 23 5.621 8.792 -12.961 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.889 11.437 -12.504 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.365 11.161 -13.407 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.242 11.257 -15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.241 9.900 -14.861 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.686 11.609 -15.356 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.763 11.609 -13.606 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.718 13.703 -13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.729 13.430 -14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.069 15.103 -15.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.800 13.749 -16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.821 14.014 -14.965 1.00 0.00 H new ATOM 353 N ALA A 24 8.885 8.928 -12.283 1.00 0.00 N ATOM 354 CA ALA A 24 10.237 8.393 -12.597 1.00 0.00 C ATOM 355 C ALA A 24 10.265 6.857 -12.364 1.00 0.00 C ATOM 356 O ALA A 24 10.620 6.083 -13.261 1.00 0.00 O ATOM 357 CB ALA A 24 11.283 9.125 -11.733 1.00 0.00 C ATOM 0 H ALA A 24 8.857 9.507 -11.444 1.00 0.00 H new ATOM 0 HA ALA A 24 10.479 8.568 -13.645 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.277 8.737 -11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.252 10.193 -11.951 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.061 8.963 -10.678 1.00 0.00 H new ATOM 363 N ALA A 25 9.913 6.437 -11.134 1.00 0.00 N ATOM 364 CA ALA A 25 9.977 5.013 -10.713 1.00 0.00 C ATOM 365 C ALA A 25 9.014 4.157 -11.582 1.00 0.00 C ATOM 366 O ALA A 25 9.307 2.996 -11.890 1.00 0.00 O ATOM 367 CB ALA A 25 9.641 4.915 -9.213 1.00 0.00 C ATOM 0 H ALA A 25 9.578 7.066 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 25 10.983 4.621 -10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.686 3.873 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.361 5.499 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.638 5.304 -9.039 1.00 0.00 H new ATOM 373 N PHE A 26 7.866 4.756 -11.962 1.00 0.00 N ATOM 374 CA PHE A 26 6.794 4.037 -12.702 1.00 0.00 C ATOM 375 C PHE A 26 7.430 3.394 -13.965 1.00 0.00 C ATOM 376 O PHE A 26 7.156 2.233 -14.290 1.00 0.00 O ATOM 377 CB PHE A 26 5.612 4.987 -13.062 1.00 0.00 C ATOM 378 CG PHE A 26 4.664 4.456 -14.163 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.066 3.197 -14.033 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.375 5.240 -15.286 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.156 2.751 -14.989 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.465 4.791 -16.240 1.00 0.00 C ATOM 383 CZ PHE A 26 2.864 3.543 -16.096 1.00 0.00 C ATOM 0 H PHE A 26 7.653 5.735 -11.771 1.00 0.00 H new ATOM 0 HA PHE A 26 6.367 3.256 -12.073 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.029 5.176 -12.161 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.020 5.945 -13.385 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.311 2.569 -13.189 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.860 6.197 -15.413 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.677 1.790 -14.871 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.225 5.411 -17.091 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.170 3.189 -16.844 1.00 0.00 H new ATOM 393 N ASP A 27 8.260 4.178 -14.679 1.00 0.00 N ATOM 394 CA ASP A 27 8.936 3.725 -15.923 1.00 0.00 C ATOM 395 C ASP A 27 9.964 2.620 -15.557 1.00 0.00 C ATOM 396 O ASP A 27 10.195 1.691 -16.341 1.00 0.00 O ATOM 397 CB ASP A 27 9.581 4.914 -16.692 1.00 0.00 C ATOM 398 CG ASP A 27 10.468 4.541 -17.892 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.534 3.918 -17.688 1.00 0.00 O ATOM 400 OD2 ASP A 27 10.097 4.865 -19.042 1.00 0.00 O ATOM 0 H ASP A 27 8.484 5.138 -14.417 1.00 0.00 H new ATOM 0 HA ASP A 27 8.200 3.302 -16.607 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.783 5.568 -17.045 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.180 5.493 -15.989 1.00 0.00 H new ATOM 405 N MET A 28 10.591 2.753 -14.370 1.00 0.00 N ATOM 406 CA MET A 28 11.603 1.780 -13.876 1.00 0.00 C ATOM 407 C MET A 28 11.001 0.356 -14.024 1.00 0.00 C ATOM 408 O MET A 28 11.674 -0.571 -14.490 1.00 0.00 O ATOM 409 CB MET A 28 12.035 2.084 -12.413 1.00 0.00 C ATOM 410 CG MET A 28 13.381 1.479 -11.971 1.00 0.00 C ATOM 411 SD MET A 28 13.129 -0.192 -11.332 1.00 0.00 S ATOM 412 CE MET A 28 12.531 0.154 -9.665 1.00 0.00 C ATOM 0 H MET A 28 10.417 3.527 -13.729 1.00 0.00 H new ATOM 0 HA MET A 28 12.515 1.858 -14.468 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.085 3.165 -12.287 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.257 1.721 -11.742 1.00 0.00 H new ATOM 0 HG2 MET A 28 14.072 1.454 -12.814 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.836 2.106 -11.204 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.917 -0.677 -9.319 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.380 0.282 -8.993 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.935 1.067 -9.674 1.00 0.00 H new ATOM 422 N PHE A 29 9.723 0.204 -13.626 1.00 0.00 N ATOM 423 CA PHE A 29 9.007 -1.098 -13.684 1.00 0.00 C ATOM 424 C PHE A 29 8.786 -1.471 -15.176 1.00 0.00 C ATOM 425 O PHE A 29 8.930 -2.636 -15.564 1.00 0.00 O ATOM 426 CB PHE A 29 7.666 -1.028 -12.895 1.00 0.00 C ATOM 427 CG PHE A 29 7.794 -0.609 -11.416 1.00 0.00 C ATOM 428 CD1 PHE A 29 9.051 -0.332 -10.866 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.656 -0.516 -10.605 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.166 0.046 -9.530 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.774 -0.138 -9.269 1.00 0.00 C ATOM 432 CZ PHE A 29 8.027 0.153 -8.736 1.00 0.00 C ATOM 0 H PHE A 29 9.157 0.968 -13.258 1.00 0.00 H new ATOM 0 HA PHE A 29 9.604 -1.877 -13.209 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.003 -0.325 -13.399 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.186 -2.006 -12.939 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.936 -0.412 -11.480 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.683 -0.738 -11.017 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.139 0.256 -9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.894 -0.071 -8.647 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.116 0.462 -7.705 1.00 0.00 H new ATOM 442 N ASP A 30 8.418 -0.467 -15.994 1.00 0.00 N ATOM 443 CA ASP A 30 8.146 -0.658 -17.443 1.00 0.00 C ATOM 444 C ASP A 30 9.425 -1.225 -18.119 1.00 0.00 C ATOM 445 O ASP A 30 10.548 -0.868 -17.744 1.00 0.00 O ATOM 446 CB ASP A 30 7.646 0.655 -18.112 1.00 0.00 C ATOM 447 CG ASP A 30 7.440 0.602 -19.636 1.00 0.00 C ATOM 448 OD1 ASP A 30 8.419 0.809 -20.386 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.298 0.357 -20.085 1.00 0.00 O ATOM 0 H ASP A 30 8.300 0.496 -15.678 1.00 0.00 H new ATOM 0 HA ASP A 30 7.336 -1.376 -17.573 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.701 0.939 -17.648 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.361 1.447 -17.890 1.00 0.00 H new ATOM 454 N ALA A 31 9.232 -2.085 -19.136 1.00 0.00 N ATOM 455 CA ALA A 31 10.350 -2.717 -19.888 1.00 0.00 C ATOM 456 C ALA A 31 9.975 -2.887 -21.387 1.00 0.00 C ATOM 457 O ALA A 31 10.488 -3.783 -22.067 1.00 0.00 O ATOM 458 CB ALA A 31 10.695 -4.067 -19.230 1.00 0.00 C ATOM 0 H ALA A 31 8.307 -2.365 -19.463 1.00 0.00 H new ATOM 0 HA ALA A 31 11.230 -2.075 -19.851 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.514 -4.538 -19.774 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.995 -3.901 -18.195 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.821 -4.718 -19.255 1.00 0.00 H new ATOM 464 N ASP A 32 9.055 -2.034 -21.873 1.00 0.00 N ATOM 465 CA ASP A 32 8.607 -2.029 -23.291 1.00 0.00 C ATOM 466 C ASP A 32 8.913 -0.636 -23.906 1.00 0.00 C ATOM 467 O ASP A 32 9.664 -0.526 -24.883 1.00 0.00 O ATOM 468 CB ASP A 32 7.107 -2.425 -23.420 1.00 0.00 C ATOM 469 CG ASP A 32 6.239 -2.206 -22.170 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.571 -2.757 -21.097 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.224 -1.479 -22.258 1.00 0.00 O ATOM 0 H ASP A 32 8.597 -1.326 -21.299 1.00 0.00 H new ATOM 0 HA ASP A 32 9.157 -2.784 -23.852 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.672 -1.858 -24.243 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.053 -3.478 -23.695 1.00 0.00 H new ATOM 476 N GLY A 33 8.301 0.419 -23.334 1.00 0.00 N ATOM 477 CA GLY A 33 8.484 1.815 -23.814 1.00 0.00 C ATOM 478 C GLY A 33 7.937 2.846 -22.792 1.00 0.00 C ATOM 479 O GLY A 33 8.699 3.603 -22.178 1.00 0.00 O ATOM 0 H GLY A 33 7.672 0.337 -22.535 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.543 2.004 -23.991 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.974 1.942 -24.769 1.00 0.00 H new ATOM 483 N GLY A 34 6.603 2.844 -22.597 1.00 0.00 N ATOM 484 CA GLY A 34 5.931 3.751 -21.633 1.00 0.00 C ATOM 485 C GLY A 34 4.448 3.950 -22.033 1.00 0.00 C ATOM 486 O GLY A 34 4.117 4.062 -23.220 1.00 0.00 O ATOM 0 H GLY A 34 5.964 2.224 -23.094 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.992 3.335 -20.627 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.442 4.714 -21.611 1.00 0.00 H new ATOM 490 N GLY A 35 3.554 3.962 -21.024 1.00 0.00 N ATOM 491 CA GLY A 35 2.090 4.056 -21.247 1.00 0.00 C ATOM 492 C GLY A 35 1.332 3.184 -20.212 1.00 0.00 C ATOM 493 O GLY A 35 0.372 3.643 -19.580 1.00 0.00 O ATOM 0 H GLY A 35 3.818 3.908 -20.040 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.768 5.094 -21.164 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.847 3.727 -22.257 1.00 0.00 H new ATOM 497 N ASP A 36 1.761 1.914 -20.077 1.00 0.00 N ATOM 498 CA ASP A 36 1.171 0.950 -19.112 1.00 0.00 C ATOM 499 C ASP A 36 2.239 -0.121 -18.760 1.00 0.00 C ATOM 500 O ASP A 36 3.381 -0.063 -19.237 1.00 0.00 O ATOM 501 CB ASP A 36 -0.146 0.325 -19.657 1.00 0.00 C ATOM 502 CG ASP A 36 -0.117 -0.145 -21.122 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.962 -0.098 -21.752 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.176 -0.557 -21.646 1.00 0.00 O ATOM 0 H ASP A 36 2.524 1.523 -20.630 1.00 0.00 H new ATOM 0 HA ASP A 36 0.889 1.473 -18.198 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.407 -0.527 -19.029 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.945 1.059 -19.548 1.00 0.00 H new ATOM 509 N ILE A 37 1.846 -1.116 -17.943 1.00 0.00 N ATOM 510 CA ILE A 37 2.719 -2.239 -17.508 1.00 0.00 C ATOM 511 C ILE A 37 1.989 -3.584 -17.783 1.00 0.00 C ATOM 512 O ILE A 37 1.053 -3.638 -18.590 1.00 0.00 O ATOM 513 CB ILE A 37 3.228 -2.116 -16.024 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.002 -0.725 -15.352 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.701 -2.578 -15.899 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.096 -0.268 -14.374 1.00 0.00 C ATOM 0 H ILE A 37 0.903 -1.170 -17.558 1.00 0.00 H new ATOM 0 HA ILE A 37 3.634 -2.199 -18.099 1.00 0.00 H new ATOM 0 HB ILE A 37 2.592 -2.794 -15.455 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.907 0.025 -16.137 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.052 -0.751 -14.818 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.026 -2.482 -14.863 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.783 -3.619 -16.210 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.332 -1.958 -16.536 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.836 0.709 -13.968 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.181 -0.988 -13.560 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.049 -0.200 -14.899 1.00 0.00 H new ATOM 528 N SER A 38 2.447 -4.667 -17.127 1.00 0.00 N ATOM 529 CA SER A 38 1.870 -6.026 -17.310 1.00 0.00 C ATOM 530 C SER A 38 2.195 -6.907 -16.073 1.00 0.00 C ATOM 531 O SER A 38 2.690 -6.409 -15.055 1.00 0.00 O ATOM 532 CB SER A 38 2.405 -6.638 -18.625 1.00 0.00 C ATOM 533 OG SER A 38 3.670 -7.262 -18.432 1.00 0.00 O ATOM 0 H SER A 38 3.219 -4.633 -16.461 1.00 0.00 H new ATOM 0 HA SER A 38 0.784 -5.969 -17.389 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.691 -7.369 -19.004 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.494 -5.858 -19.381 1.00 0.00 H new ATOM 0 HG SER A 38 3.981 -7.641 -19.281 1.00 0.00 H new ATOM 539 N THR A 39 1.903 -8.217 -16.184 1.00 0.00 N ATOM 540 CA THR A 39 2.145 -9.207 -15.102 1.00 0.00 C ATOM 541 C THR A 39 3.628 -9.665 -15.167 1.00 0.00 C ATOM 542 O THR A 39 4.252 -9.932 -14.133 1.00 0.00 O ATOM 543 CB THR A 39 1.141 -10.401 -15.163 1.00 0.00 C ATOM 544 OG1 THR A 39 0.576 -10.517 -16.467 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.015 -10.339 -14.147 1.00 0.00 C ATOM 0 H THR A 39 1.492 -8.625 -17.024 1.00 0.00 H new ATOM 0 HA THR A 39 1.967 -8.736 -14.135 1.00 0.00 H new ATOM 0 HB THR A 39 1.746 -11.270 -14.904 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.049 -11.271 -16.487 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.655 -11.212 -14.271 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.390 -10.326 -13.135 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.599 -9.434 -14.315 1.00 0.00 H new ATOM 553 N LYS A 40 4.179 -9.750 -16.393 1.00 0.00 N ATOM 554 CA LYS A 40 5.587 -10.174 -16.620 1.00 0.00 C ATOM 555 C LYS A 40 6.530 -9.063 -16.083 1.00 0.00 C ATOM 556 O LYS A 40 7.375 -9.316 -15.217 1.00 0.00 O ATOM 557 CB LYS A 40 5.790 -10.495 -18.129 1.00 0.00 C ATOM 558 CG LYS A 40 6.928 -11.486 -18.482 1.00 0.00 C ATOM 559 CD LYS A 40 8.034 -11.034 -19.466 1.00 0.00 C ATOM 560 CE LYS A 40 7.738 -11.206 -20.971 1.00 0.00 C ATOM 561 NZ LYS A 40 7.088 -10.034 -21.586 1.00 0.00 N ATOM 0 H LYS A 40 3.672 -9.531 -17.251 1.00 0.00 H new ATOM 0 HA LYS A 40 5.827 -11.088 -16.077 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.855 -10.897 -18.520 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.979 -9.559 -18.654 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.414 -11.775 -17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.467 -12.384 -18.894 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.245 -9.981 -19.279 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.943 -11.588 -19.233 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.672 -11.409 -21.495 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.099 -12.078 -21.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.920 -10.220 -22.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.181 -9.851 -21.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.705 -9.203 -21.486 1.00 0.00 H new ATOM 575 N GLU A 41 6.368 -7.837 -16.612 1.00 0.00 N ATOM 576 CA GLU A 41 7.222 -6.675 -16.250 1.00 0.00 C ATOM 577 C GLU A 41 7.258 -6.537 -14.703 1.00 0.00 C ATOM 578 O GLU A 41 8.329 -6.378 -14.107 1.00 0.00 O ATOM 579 CB GLU A 41 6.739 -5.377 -16.958 1.00 0.00 C ATOM 580 CG GLU A 41 6.195 -5.504 -18.403 1.00 0.00 C ATOM 581 CD GLU A 41 5.475 -4.253 -18.916 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.838 -3.131 -18.496 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.542 -4.386 -19.739 1.00 0.00 O ATOM 0 H GLU A 41 5.647 -7.617 -17.300 1.00 0.00 H new ATOM 0 HA GLU A 41 8.240 -6.843 -16.601 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.957 -4.931 -16.343 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.572 -4.674 -16.974 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.024 -5.732 -19.073 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.508 -6.349 -18.447 1.00 0.00 H new ATOM 590 N LEU A 42 6.070 -6.593 -14.073 1.00 0.00 N ATOM 591 CA LEU A 42 5.915 -6.373 -12.610 1.00 0.00 C ATOM 592 C LEU A 42 6.711 -7.483 -11.872 1.00 0.00 C ATOM 593 O LEU A 42 7.283 -7.249 -10.801 1.00 0.00 O ATOM 594 CB LEU A 42 4.410 -6.371 -12.205 1.00 0.00 C ATOM 595 CG LEU A 42 4.008 -5.541 -10.950 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.675 -6.012 -10.332 1.00 0.00 C ATOM 597 CD2 LEU A 42 5.120 -5.568 -9.883 1.00 0.00 C ATOM 0 H LEU A 42 5.192 -6.790 -14.553 1.00 0.00 H new ATOM 0 HA LEU A 42 6.310 -5.397 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.833 -6.001 -13.053 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.104 -7.404 -12.038 1.00 0.00 H new ATOM 0 HG LEU A 42 3.869 -4.516 -11.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.442 -5.400 -9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.878 -5.914 -11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.763 -7.056 -10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.810 -4.980 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.303 -6.597 -9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.035 -5.146 -10.300 1.00 0.00 H new ATOM 609 N GLY A 43 6.711 -8.701 -12.448 1.00 0.00 N ATOM 610 CA GLY A 43 7.353 -9.888 -11.830 1.00 0.00 C ATOM 611 C GLY A 43 8.889 -9.690 -11.753 1.00 0.00 C ATOM 612 O GLY A 43 9.545 -10.186 -10.827 1.00 0.00 O ATOM 0 H GLY A 43 6.271 -8.894 -13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.950 -10.049 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.123 -10.779 -12.414 1.00 0.00 H new ATOM 616 N THR A 44 9.447 -8.961 -12.738 1.00 0.00 N ATOM 617 CA THR A 44 10.914 -8.766 -12.877 1.00 0.00 C ATOM 618 C THR A 44 11.414 -7.878 -11.704 1.00 0.00 C ATOM 619 O THR A 44 12.339 -8.256 -10.976 1.00 0.00 O ATOM 620 CB THR A 44 11.299 -8.189 -14.276 1.00 0.00 C ATOM 621 OG1 THR A 44 10.828 -9.041 -15.318 1.00 0.00 O ATOM 622 CG2 THR A 44 12.805 -7.955 -14.497 1.00 0.00 C ATOM 0 H THR A 44 8.902 -8.490 -13.460 1.00 0.00 H new ATOM 0 HA THR A 44 11.414 -9.733 -12.820 1.00 0.00 H new ATOM 0 HB THR A 44 10.818 -7.211 -14.302 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.077 -8.663 -16.187 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.968 -7.554 -15.497 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.176 -7.246 -13.757 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.339 -8.900 -14.394 1.00 0.00 H new ATOM 630 N VAL A 45 10.790 -6.695 -11.547 1.00 0.00 N ATOM 631 CA VAL A 45 11.162 -5.703 -10.503 1.00 0.00 C ATOM 632 C VAL A 45 10.980 -6.389 -9.121 1.00 0.00 C ATOM 633 O VAL A 45 11.737 -6.119 -8.180 1.00 0.00 O ATOM 634 CB VAL A 45 10.360 -4.361 -10.655 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.759 -3.826 -9.332 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.201 -3.229 -11.292 1.00 0.00 C ATOM 0 H VAL A 45 10.014 -6.394 -12.136 1.00 0.00 H new ATOM 0 HA VAL A 45 12.204 -5.401 -10.611 1.00 0.00 H new ATOM 0 HB VAL A 45 9.540 -4.635 -11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.222 -2.897 -9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.071 -4.564 -8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.561 -3.639 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.595 -2.326 -11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.072 -3.027 -10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.529 -3.535 -12.285 1.00 0.00 H new ATOM 646 N MET A 46 9.956 -7.255 -9.009 1.00 0.00 N ATOM 647 CA MET A 46 9.605 -7.940 -7.736 1.00 0.00 C ATOM 648 C MET A 46 10.787 -8.874 -7.355 1.00 0.00 C ATOM 649 O MET A 46 11.097 -9.049 -6.172 1.00 0.00 O ATOM 650 CB MET A 46 8.260 -8.710 -7.856 1.00 0.00 C ATOM 651 CG MET A 46 7.007 -7.952 -7.378 1.00 0.00 C ATOM 652 SD MET A 46 6.320 -8.752 -5.912 1.00 0.00 S ATOM 653 CE MET A 46 5.734 -7.327 -4.972 1.00 0.00 C ATOM 0 H MET A 46 9.348 -7.503 -9.789 1.00 0.00 H new ATOM 0 HA MET A 46 9.454 -7.207 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.116 -8.990 -8.899 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.341 -9.635 -7.286 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.263 -6.917 -7.151 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.261 -7.929 -8.173 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.284 -7.667 -4.039 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.573 -6.667 -4.751 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.991 -6.786 -5.557 1.00 0.00 H new ATOM 663 N ARG A 47 11.414 -9.487 -8.376 1.00 0.00 N ATOM 664 CA ARG A 47 12.499 -10.486 -8.185 1.00 0.00 C ATOM 665 C ARG A 47 13.702 -9.795 -7.484 1.00 0.00 C ATOM 666 O ARG A 47 14.369 -10.402 -6.638 1.00 0.00 O ATOM 667 CB ARG A 47 12.918 -11.104 -9.548 1.00 0.00 C ATOM 668 CG ARG A 47 14.268 -10.596 -10.105 1.00 0.00 C ATOM 669 CD ARG A 47 15.478 -11.403 -9.595 1.00 0.00 C ATOM 670 NE ARG A 47 15.897 -12.454 -10.558 1.00 0.00 N ATOM 671 CZ ARG A 47 16.960 -12.366 -11.385 1.00 0.00 C ATOM 672 NH1 ARG A 47 17.774 -11.313 -11.446 1.00 0.00 N ATOM 673 NH2 ARG A 47 17.210 -13.387 -12.184 1.00 0.00 N ATOM 0 H ARG A 47 11.189 -9.310 -9.355 1.00 0.00 H new ATOM 0 HA ARG A 47 12.143 -11.302 -7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.971 -12.187 -9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.138 -10.896 -10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.244 -10.639 -11.194 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.396 -9.549 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.313 -10.726 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.228 -11.866 -8.640 1.00 0.00 H new ATOM 0 HE ARG A 47 15.339 -13.307 -10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.611 -10.507 -10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.560 -11.313 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.608 -14.210 -12.164 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.006 -13.353 -12.821 1.00 0.00 H new ATOM 687 N MET A 48 13.940 -8.516 -7.836 1.00 0.00 N ATOM 688 CA MET A 48 15.077 -7.727 -7.288 1.00 0.00 C ATOM 689 C MET A 48 14.925 -7.675 -5.742 1.00 0.00 C ATOM 690 O MET A 48 15.927 -7.631 -5.015 1.00 0.00 O ATOM 691 CB MET A 48 15.154 -6.306 -7.916 1.00 0.00 C ATOM 692 CG MET A 48 14.529 -5.169 -7.087 1.00 0.00 C ATOM 693 SD MET A 48 15.828 -4.143 -6.363 1.00 0.00 S ATOM 694 CE MET A 48 15.808 -2.716 -7.468 1.00 0.00 C ATOM 0 H MET A 48 13.362 -8.000 -8.499 1.00 0.00 H new ATOM 0 HA MET A 48 16.019 -8.211 -7.546 1.00 0.00 H new ATOM 0 HB2 MET A 48 16.202 -6.065 -8.095 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.663 -6.333 -8.889 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.883 -4.560 -7.719 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.902 -5.585 -6.299 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.560 -1.995 -7.145 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.029 -3.040 -8.485 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.823 -2.249 -7.442 1.00 0.00 H new ATOM 704 N LEU A 49 13.670 -7.647 -5.258 1.00 0.00 N ATOM 705 CA LEU A 49 13.352 -7.488 -3.813 1.00 0.00 C ATOM 706 C LEU A 49 14.212 -8.498 -3.008 1.00 0.00 C ATOM 707 O LEU A 49 14.864 -8.134 -2.021 1.00 0.00 O ATOM 708 CB LEU A 49 11.828 -7.693 -3.557 1.00 0.00 C ATOM 709 CG LEU A 49 11.219 -7.029 -2.287 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.752 -7.690 -1.001 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.470 -5.507 -2.237 1.00 0.00 C ATOM 0 H LEU A 49 12.844 -7.733 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 49 13.591 -6.476 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.287 -7.318 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.637 -8.765 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 49 10.142 -7.186 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.308 -7.205 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.489 -8.748 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.836 -7.586 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.025 -5.094 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.543 -5.315 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.020 -5.035 -3.110 1.00 0.00 H new ATOM 723 N GLY A 50 14.181 -9.779 -3.424 1.00 0.00 N ATOM 724 CA GLY A 50 14.917 -10.866 -2.730 1.00 0.00 C ATOM 725 C GLY A 50 14.540 -12.242 -3.337 1.00 0.00 C ATOM 726 O GLY A 50 15.393 -12.934 -3.909 1.00 0.00 O ATOM 0 H GLY A 50 13.654 -10.092 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.991 -10.703 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.681 -10.853 -1.666 1.00 0.00 H new ATOM 730 N GLN A 51 13.259 -12.630 -3.188 1.00 0.00 N ATOM 731 CA GLN A 51 12.722 -13.911 -3.718 1.00 0.00 C ATOM 732 C GLN A 51 12.451 -13.733 -5.237 1.00 0.00 C ATOM 733 O GLN A 51 12.925 -12.772 -5.854 1.00 0.00 O ATOM 734 CB GLN A 51 11.449 -14.333 -2.930 1.00 0.00 C ATOM 735 CG GLN A 51 11.427 -15.787 -2.396 1.00 0.00 C ATOM 736 CD GLN A 51 10.411 -16.037 -1.268 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.607 -16.899 -0.412 1.00 0.00 O ATOM 738 NE2 GLN A 51 9.310 -15.300 -1.242 1.00 0.00 N ATOM 0 H GLN A 51 12.562 -12.069 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 51 13.444 -14.717 -3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.329 -13.656 -2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.583 -14.192 -3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.205 -16.461 -3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.423 -16.043 -2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.156 -14.588 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.616 -15.445 -0.508 1.00 0.00 H new ATOM 747 N ASN A 52 11.670 -14.663 -5.819 1.00 0.00 N ATOM 748 CA ASN A 52 11.227 -14.577 -7.235 1.00 0.00 C ATOM 749 C ASN A 52 9.780 -15.170 -7.396 1.00 0.00 C ATOM 750 O ASN A 52 9.664 -16.385 -7.593 1.00 0.00 O ATOM 751 CB ASN A 52 12.268 -15.303 -8.131 1.00 0.00 C ATOM 752 CG ASN A 52 12.455 -14.689 -9.535 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.587 -13.977 -10.041 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.576 -14.953 -10.191 1.00 0.00 N ATOM 0 H ASN A 52 11.328 -15.491 -5.331 1.00 0.00 H new ATOM 0 HA ASN A 52 11.172 -13.535 -7.551 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.230 -15.303 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.967 -16.345 -8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.725 -14.565 -11.123 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.290 -15.544 -9.764 1.00 0.00 H new ATOM 761 N PRO A 53 8.664 -14.377 -7.323 1.00 0.00 N ATOM 762 CA PRO A 53 7.289 -14.875 -7.576 1.00 0.00 C ATOM 763 C PRO A 53 7.218 -15.781 -8.837 1.00 0.00 C ATOM 764 O PRO A 53 8.107 -15.740 -9.696 1.00 0.00 O ATOM 765 CB PRO A 53 6.485 -13.565 -7.701 1.00 0.00 C ATOM 766 CG PRO A 53 7.247 -12.508 -6.898 1.00 0.00 C ATOM 767 CD PRO A 53 8.710 -12.933 -6.984 1.00 0.00 C ATOM 0 HA PRO A 53 6.900 -15.527 -6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.391 -13.266 -8.745 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.474 -13.692 -7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.099 -11.512 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.905 -12.474 -5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.243 -12.364 -7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.227 -12.764 -6.040 1.00 0.00 H new ATOM 775 N THR A 54 6.134 -16.572 -8.943 1.00 0.00 N ATOM 776 CA THR A 54 5.908 -17.496 -10.087 1.00 0.00 C ATOM 777 C THR A 54 4.838 -16.874 -11.026 1.00 0.00 C ATOM 778 O THR A 54 4.100 -15.965 -10.625 1.00 0.00 O ATOM 779 CB THR A 54 5.533 -18.936 -9.615 1.00 0.00 C ATOM 780 OG1 THR A 54 6.205 -19.916 -10.402 1.00 0.00 O ATOM 781 CG2 THR A 54 4.027 -19.261 -9.635 1.00 0.00 C ATOM 0 H THR A 54 5.390 -16.594 -8.246 1.00 0.00 H new ATOM 0 HA THR A 54 6.837 -17.614 -10.645 1.00 0.00 H new ATOM 0 HB THR A 54 5.852 -18.965 -8.573 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.958 -20.812 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.871 -20.283 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.497 -18.571 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.646 -19.159 -10.651 1.00 0.00 H new ATOM 789 N LYS A 55 4.790 -17.356 -12.281 1.00 0.00 N ATOM 790 CA LYS A 55 3.900 -16.796 -13.334 1.00 0.00 C ATOM 791 C LYS A 55 2.435 -16.867 -12.824 1.00 0.00 C ATOM 792 O LYS A 55 1.614 -15.999 -13.151 1.00 0.00 O ATOM 793 CB LYS A 55 4.110 -17.558 -14.678 1.00 0.00 C ATOM 794 CG LYS A 55 3.443 -18.946 -14.831 1.00 0.00 C ATOM 795 CD LYS A 55 1.898 -18.935 -14.882 1.00 0.00 C ATOM 796 CE LYS A 55 1.212 -19.836 -13.837 1.00 0.00 C ATOM 797 NZ LYS A 55 1.617 -21.253 -13.930 1.00 0.00 N ATOM 0 H LYS A 55 5.360 -18.139 -12.600 1.00 0.00 H new ATOM 0 HA LYS A 55 4.141 -15.752 -13.534 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.747 -16.921 -15.485 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.182 -17.683 -14.828 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.817 -19.412 -15.743 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.758 -19.576 -13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.551 -17.911 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.579 -19.247 -15.876 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.444 -19.464 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.131 -19.766 -13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.852 -21.857 -13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.809 -21.495 -14.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.476 -21.406 -13.365 1.00 0.00 H new ATOM 811 N GLU A 56 2.123 -17.896 -12.015 1.00 0.00 N ATOM 812 CA GLU A 56 0.743 -18.153 -11.522 1.00 0.00 C ATOM 813 C GLU A 56 0.399 -17.085 -10.449 1.00 0.00 C ATOM 814 O GLU A 56 -0.712 -16.542 -10.431 1.00 0.00 O ATOM 815 CB GLU A 56 0.617 -19.616 -11.008 1.00 0.00 C ATOM 816 CG GLU A 56 -0.703 -20.353 -11.335 1.00 0.00 C ATOM 817 CD GLU A 56 -1.162 -21.331 -10.249 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.299 -21.956 -9.593 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.388 -21.475 -10.043 1.00 0.00 O ATOM 0 H GLU A 56 2.810 -18.573 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 56 0.014 -18.060 -12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.442 -20.195 -11.422 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.744 -19.609 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.488 -19.614 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.579 -20.898 -12.271 1.00 0.00 H new ATOM 826 N GLU A 57 1.366 -16.804 -9.555 1.00 0.00 N ATOM 827 CA GLU A 57 1.161 -15.889 -8.400 1.00 0.00 C ATOM 828 C GLU A 57 0.884 -14.456 -8.932 1.00 0.00 C ATOM 829 O GLU A 57 0.118 -13.696 -8.328 1.00 0.00 O ATOM 830 CB GLU A 57 2.367 -15.940 -7.417 1.00 0.00 C ATOM 831 CG GLU A 57 2.187 -15.291 -6.022 1.00 0.00 C ATOM 832 CD GLU A 57 0.762 -15.381 -5.465 1.00 0.00 C ATOM 833 OE1 GLU A 57 0.398 -16.438 -4.903 1.00 0.00 O ATOM 834 OE2 GLU A 57 0.003 -14.394 -5.585 1.00 0.00 O ATOM 0 H GLU A 57 2.306 -17.197 -9.606 1.00 0.00 H new ATOM 0 HA GLU A 57 0.294 -16.213 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.634 -16.986 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.216 -15.460 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.870 -15.770 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.476 -14.242 -6.082 1.00 0.00 H new ATOM 841 N LEU A 58 1.540 -14.095 -10.050 1.00 0.00 N ATOM 842 CA LEU A 58 1.470 -12.725 -10.626 1.00 0.00 C ATOM 843 C LEU A 58 0.026 -12.466 -11.136 1.00 0.00 C ATOM 844 O LEU A 58 -0.488 -11.346 -11.032 1.00 0.00 O ATOM 845 CB LEU A 58 2.560 -12.592 -11.728 1.00 0.00 C ATOM 846 CG LEU A 58 3.968 -12.119 -11.265 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.048 -12.275 -12.356 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.916 -10.654 -10.788 1.00 0.00 C ATOM 0 H LEU A 58 2.131 -14.734 -10.582 1.00 0.00 H new ATOM 0 HA LEU A 58 1.679 -11.958 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.670 -13.560 -12.216 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.198 -11.894 -12.482 1.00 0.00 H new ATOM 0 HG LEU A 58 4.252 -12.768 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.007 -11.928 -11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.129 -13.324 -12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.772 -11.683 -13.229 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.910 -10.340 -10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.580 -10.017 -11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.222 -10.568 -9.952 1.00 0.00 H new ATOM 860 N ASP A 59 -0.598 -13.511 -11.711 1.00 0.00 N ATOM 861 CA ASP A 59 -1.986 -13.442 -12.240 1.00 0.00 C ATOM 862 C ASP A 59 -2.955 -13.158 -11.061 1.00 0.00 C ATOM 863 O ASP A 59 -3.986 -12.497 -11.237 1.00 0.00 O ATOM 864 CB ASP A 59 -2.363 -14.730 -13.029 1.00 0.00 C ATOM 865 CG ASP A 59 -3.755 -14.740 -13.682 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.740 -15.106 -13.004 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.865 -14.387 -14.878 1.00 0.00 O ATOM 0 H ASP A 59 -0.162 -14.426 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.065 -12.626 -12.959 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.617 -14.885 -13.809 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.296 -15.580 -12.350 1.00 0.00 H new ATOM 872 N ALA A 60 -2.608 -13.667 -9.865 1.00 0.00 N ATOM 873 CA ALA A 60 -3.430 -13.489 -8.638 1.00 0.00 C ATOM 874 C ALA A 60 -3.285 -12.038 -8.103 1.00 0.00 C ATOM 875 O ALA A 60 -4.214 -11.493 -7.497 1.00 0.00 O ATOM 876 CB ALA A 60 -3.001 -14.534 -7.589 1.00 0.00 C ATOM 0 H ALA A 60 -1.758 -14.210 -9.714 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.484 -13.645 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.599 -14.410 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.153 -15.536 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.947 -14.396 -7.348 1.00 0.00 H new ATOM 882 N ILE A 61 -2.096 -11.442 -8.311 1.00 0.00 N ATOM 883 CA ILE A 61 -1.746 -10.100 -7.773 1.00 0.00 C ATOM 884 C ILE A 61 -2.630 -9.079 -8.541 1.00 0.00 C ATOM 885 O ILE A 61 -3.227 -8.182 -7.932 1.00 0.00 O ATOM 886 CB ILE A 61 -0.197 -9.822 -7.847 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.552 -10.227 -6.538 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.127 -8.347 -8.210 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.260 -9.086 -5.790 1.00 0.00 C ATOM 0 H ILE A 61 -1.347 -11.871 -8.855 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.957 -10.019 -6.707 1.00 0.00 H new ATOM 0 HB ILE A 61 0.168 -10.458 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.165 -10.690 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.292 -10.987 -6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.208 -8.211 -8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.303 -8.109 -9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.296 -7.685 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.746 -9.482 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.009 -8.634 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.528 -8.332 -5.500 1.00 0.00 H new ATOM 901 N ILE A 62 -2.701 -9.228 -9.877 1.00 0.00 N ATOM 902 CA ILE A 62 -3.409 -8.277 -10.777 1.00 0.00 C ATOM 903 C ILE A 62 -4.928 -8.490 -10.525 1.00 0.00 C ATOM 904 O ILE A 62 -5.696 -7.519 -10.473 1.00 0.00 O ATOM 905 CB ILE A 62 -2.956 -8.439 -12.276 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.509 -7.907 -12.530 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.947 -7.778 -13.273 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.142 -7.637 -13.998 1.00 0.00 C ATOM 0 H ILE A 62 -2.271 -10.010 -10.371 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.157 -7.239 -10.558 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.956 -9.514 -12.459 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.378 -6.983 -11.967 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.801 -8.630 -12.125 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.587 -7.919 -14.292 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.929 -8.238 -13.169 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.021 -6.712 -13.059 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.117 -7.272 -14.055 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.231 -8.560 -14.571 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.818 -6.887 -14.410 1.00 0.00 H new ATOM 920 N GLU A 63 -5.339 -9.760 -10.349 1.00 0.00 N ATOM 921 CA GLU A 63 -6.761 -10.123 -10.101 1.00 0.00 C ATOM 922 C GLU A 63 -7.236 -9.389 -8.817 1.00 0.00 C ATOM 923 O GLU A 63 -8.390 -8.951 -8.732 1.00 0.00 O ATOM 924 CB GLU A 63 -6.928 -11.669 -10.030 1.00 0.00 C ATOM 925 CG GLU A 63 -8.379 -12.204 -9.973 1.00 0.00 C ATOM 926 CD GLU A 63 -8.951 -12.612 -11.334 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.192 -13.142 -12.176 1.00 0.00 O ATOM 928 OE2 GLU A 63 -10.162 -12.403 -11.569 1.00 0.00 O ATOM 0 H GLU A 63 -4.708 -10.561 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.395 -9.799 -10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.437 -12.106 -10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.396 -12.030 -9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.411 -13.065 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.020 -11.438 -9.537 1.00 0.00 H new ATOM 935 N GLU A 64 -6.331 -9.265 -7.830 1.00 0.00 N ATOM 936 CA GLU A 64 -6.656 -8.688 -6.498 1.00 0.00 C ATOM 937 C GLU A 64 -7.172 -7.239 -6.705 1.00 0.00 C ATOM 938 O GLU A 64 -8.189 -6.839 -6.125 1.00 0.00 O ATOM 939 CB GLU A 64 -5.422 -8.783 -5.555 1.00 0.00 C ATOM 940 CG GLU A 64 -4.708 -7.453 -5.215 1.00 0.00 C ATOM 941 CD GLU A 64 -3.828 -7.517 -3.963 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.505 -8.636 -3.505 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.454 -6.448 -3.431 1.00 0.00 O ATOM 0 H GLU A 64 -5.358 -9.557 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.447 -9.253 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.741 -9.247 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.694 -9.454 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.092 -7.157 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.459 -6.675 -5.079 1.00 0.00 H new ATOM 950 N VAL A 65 -6.438 -6.452 -7.515 1.00 0.00 N ATOM 951 CA VAL A 65 -6.720 -5.009 -7.740 1.00 0.00 C ATOM 952 C VAL A 65 -7.031 -4.827 -9.252 1.00 0.00 C ATOM 953 O VAL A 65 -6.114 -4.668 -10.069 1.00 0.00 O ATOM 954 CB VAL A 65 -5.555 -4.095 -7.218 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.148 -4.514 -7.713 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.762 -2.601 -7.568 1.00 0.00 C ATOM 0 H VAL A 65 -5.630 -6.793 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.586 -4.688 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.595 -4.233 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.401 -3.832 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.932 -5.529 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.119 -4.477 -8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.926 -2.018 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.816 -2.485 -8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.690 -2.247 -7.118 1.00 0.00 H new ATOM 966 N ASP A 66 -8.328 -4.851 -9.609 1.00 0.00 N ATOM 967 CA ASP A 66 -8.785 -4.689 -11.016 1.00 0.00 C ATOM 968 C ASP A 66 -10.309 -4.390 -11.012 1.00 0.00 C ATOM 969 O ASP A 66 -11.121 -5.215 -11.445 1.00 0.00 O ATOM 970 CB ASP A 66 -8.416 -5.927 -11.885 1.00 0.00 C ATOM 971 CG ASP A 66 -7.343 -5.701 -12.963 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.245 -4.572 -13.493 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.591 -6.650 -13.276 1.00 0.00 O ATOM 0 H ASP A 66 -9.089 -4.982 -8.942 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.268 -3.847 -11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.074 -6.722 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.322 -6.286 -12.373 1.00 0.00 H new ATOM 978 N GLU A 67 -10.676 -3.203 -10.488 1.00 0.00 N ATOM 979 CA GLU A 67 -12.080 -2.716 -10.473 1.00 0.00 C ATOM 980 C GLU A 67 -12.449 -2.226 -11.899 1.00 0.00 C ATOM 981 O GLU A 67 -13.615 -2.296 -12.308 1.00 0.00 O ATOM 982 CB GLU A 67 -12.264 -1.629 -9.374 1.00 0.00 C ATOM 983 CG GLU A 67 -12.351 -2.131 -7.914 1.00 0.00 C ATOM 984 CD GLU A 67 -13.364 -1.374 -7.049 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.282 -0.128 -6.971 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.244 -2.022 -6.440 1.00 0.00 O ATOM 0 H GLU A 67 -10.014 -2.553 -10.064 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.769 -3.519 -10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.432 -0.928 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.172 -1.069 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.614 -3.189 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.366 -2.050 -7.455 1.00 0.00 H new ATOM 993 N ASP A 68 -11.448 -1.703 -12.634 1.00 0.00 N ATOM 994 CA ASP A 68 -11.637 -1.203 -14.024 1.00 0.00 C ATOM 995 C ASP A 68 -11.599 -2.412 -14.996 1.00 0.00 C ATOM 996 O ASP A 68 -12.285 -2.423 -16.026 1.00 0.00 O ATOM 997 CB ASP A 68 -10.597 -0.105 -14.395 1.00 0.00 C ATOM 998 CG ASP A 68 -9.195 -0.267 -13.783 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.374 -1.028 -14.341 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.915 0.361 -12.738 1.00 0.00 O ATOM 0 H ASP A 68 -10.491 -1.612 -12.292 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.609 -0.717 -14.106 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.497 -0.080 -15.480 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.995 0.862 -14.089 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.811 -3.447 -14.641 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.701 -4.686 -15.451 1.00 0.00 C ATOM 1007 C GLY A 69 -10.046 -4.377 -16.822 1.00 0.00 C ATOM 1008 O GLY A 69 -10.682 -3.794 -17.709 1.00 0.00 O ATOM 0 H GLY A 69 -10.238 -3.453 -13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.107 -5.427 -14.916 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.690 -5.119 -15.602 1.00 0.00 H new ATOM 1012 N SER A 70 -8.770 -4.780 -16.977 1.00 0.00 N ATOM 1013 CA SER A 70 -7.965 -4.497 -18.194 1.00 0.00 C ATOM 1014 C SER A 70 -6.850 -5.565 -18.348 1.00 0.00 C ATOM 1015 O SER A 70 -6.637 -6.117 -19.434 1.00 0.00 O ATOM 1016 CB SER A 70 -7.398 -3.061 -18.114 1.00 0.00 C ATOM 1017 OG SER A 70 -6.805 -2.806 -16.844 1.00 0.00 O ATOM 0 H SER A 70 -8.264 -5.310 -16.267 1.00 0.00 H new ATOM 0 HA SER A 70 -8.592 -4.555 -19.084 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.656 -2.917 -18.899 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.197 -2.342 -18.295 1.00 0.00 H new ATOM 0 HG SER A 70 -6.454 -1.891 -16.825 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.155 -5.870 -17.232 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.077 -6.890 -17.213 1.00 0.00 C ATOM 1025 C GLY A 71 -3.696 -6.211 -17.019 1.00 0.00 C ATOM 1026 O GLY A 71 -2.787 -6.790 -16.410 1.00 0.00 O ATOM 0 H GLY A 71 -6.319 -5.425 -16.329 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.256 -7.603 -16.408 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.085 -7.454 -18.146 1.00 0.00 H new ATOM 1030 N THR A 72 -3.560 -4.979 -17.547 1.00 0.00 N ATOM 1031 CA THR A 72 -2.327 -4.161 -17.412 1.00 0.00 C ATOM 1032 C THR A 72 -2.502 -3.185 -16.216 1.00 0.00 C ATOM 1033 O THR A 72 -3.630 -2.818 -15.859 1.00 0.00 O ATOM 1034 CB THR A 72 -1.960 -3.427 -18.740 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.069 -2.670 -19.220 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.478 -4.340 -19.883 1.00 0.00 C ATOM 0 H THR A 72 -4.298 -4.518 -18.080 1.00 0.00 H new ATOM 0 HA THR A 72 -1.481 -4.816 -17.207 1.00 0.00 H new ATOM 0 HB THR A 72 -1.120 -2.788 -18.466 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.820 -2.216 -20.052 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.249 -3.735 -20.760 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.583 -4.876 -19.568 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.261 -5.056 -20.131 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.379 -2.793 -15.584 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.365 -1.865 -14.421 1.00 0.00 C ATOM 1046 C ILE A 73 -0.936 -0.479 -14.975 1.00 0.00 C ATOM 1047 O ILE A 73 0.236 -0.095 -14.866 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.470 -2.413 -13.245 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -0.884 -3.849 -12.790 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.442 -1.456 -12.022 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.464 -4.248 -11.366 1.00 0.00 C ATOM 0 H ILE A 73 -0.449 -3.108 -15.861 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.348 -1.772 -13.959 1.00 0.00 H new ATOM 0 HB ILE A 73 0.538 -2.468 -13.656 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.968 -3.935 -12.866 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.457 -4.568 -13.489 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.189 -1.882 -11.241 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.041 -0.489 -12.326 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.454 -1.325 -11.639 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.803 -5.263 -11.157 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.622 -4.204 -11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.912 -3.561 -10.648 1.00 0.00 H new ATOM 1063 N ASP A 74 -1.900 0.272 -15.541 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.645 1.622 -16.111 1.00 0.00 C ATOM 1065 C ASP A 74 -1.210 2.582 -14.968 1.00 0.00 C ATOM 1066 O ASP A 74 -1.037 2.173 -13.811 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.879 2.153 -16.898 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.234 1.517 -16.542 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.903 2.003 -15.603 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.634 0.536 -17.206 1.00 0.00 O ATOM 0 H ASP A 74 -2.871 -0.030 -15.619 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.834 1.562 -16.837 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.952 3.229 -16.737 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.698 2.002 -17.962 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.020 3.871 -15.313 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.648 4.928 -14.333 1.00 0.00 C ATOM 1077 C PHE A 75 -1.884 5.256 -13.453 1.00 0.00 C ATOM 1078 O PHE A 75 -1.744 5.627 -12.281 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.104 6.188 -15.069 1.00 0.00 C ATOM 1080 CG PHE A 75 0.663 7.189 -14.181 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.018 6.842 -12.872 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.005 8.455 -14.670 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.680 7.758 -12.058 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.667 9.369 -13.853 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.988 9.026 -12.543 1.00 0.00 C ATOM 0 H PHE A 75 -1.117 4.214 -16.269 1.00 0.00 H new ATOM 0 HA PHE A 75 0.153 4.571 -13.685 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.555 5.862 -15.874 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.942 6.707 -15.534 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.778 5.860 -12.492 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.755 8.725 -15.685 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.955 7.484 -11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.931 10.344 -14.236 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.477 9.745 -11.902 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.088 5.144 -14.044 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.362 5.525 -13.377 1.00 0.00 C ATOM 1097 C GLU A 76 -4.624 4.577 -12.173 1.00 0.00 C ATOM 1098 O GLU A 76 -5.054 5.025 -11.103 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.543 5.539 -14.391 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.727 6.799 -15.272 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.153 6.501 -16.714 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -5.369 5.872 -17.459 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.275 6.892 -17.106 1.00 0.00 O ATOM 0 H GLU A 76 -3.213 4.790 -14.992 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.278 6.541 -12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.425 4.682 -15.054 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.466 5.384 -13.832 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.474 7.445 -14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.790 7.356 -15.290 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.364 3.272 -12.372 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.617 2.220 -11.350 1.00 0.00 C ATOM 1112 C GLU A 77 -3.404 2.113 -10.386 1.00 0.00 C ATOM 1113 O GLU A 77 -3.564 1.754 -9.213 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.943 0.848 -12.012 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.556 -0.413 -11.204 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.049 -1.712 -11.845 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -4.318 -2.291 -12.680 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -6.169 -2.162 -11.519 1.00 0.00 O ATOM 0 H GLU A 77 -3.973 2.910 -13.242 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.494 2.507 -10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.014 0.811 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.437 0.805 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.471 -0.454 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.967 -0.333 -10.198 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.196 2.414 -10.898 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.937 2.347 -10.108 1.00 0.00 C ATOM 1127 C PHE A 78 -1.055 3.304 -8.891 1.00 0.00 C ATOM 1128 O PHE A 78 -0.813 2.904 -7.745 1.00 0.00 O ATOM 1129 CB PHE A 78 0.292 2.679 -11.010 1.00 0.00 C ATOM 1130 CG PHE A 78 1.665 2.543 -10.320 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.355 1.326 -10.362 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.257 3.644 -9.689 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.621 1.214 -9.792 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.523 3.529 -9.117 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.204 2.315 -9.171 1.00 0.00 C ATOM 0 H PHE A 78 -2.058 2.710 -11.864 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.781 1.336 -9.732 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.273 2.022 -11.880 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.187 3.699 -11.379 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.903 0.469 -10.839 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.731 4.586 -9.645 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.150 0.273 -9.832 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.976 4.381 -8.632 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.186 2.228 -8.730 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.398 4.576 -9.163 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.447 5.645 -8.130 1.00 0.00 C ATOM 1147 C LEU A 79 -2.482 5.233 -7.047 1.00 0.00 C ATOM 1148 O LEU A 79 -2.319 5.557 -5.864 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.799 7.021 -8.771 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.727 7.681 -9.687 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.334 8.716 -10.657 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.393 8.337 -8.854 1.00 0.00 C ATOM 0 H LEU A 79 -1.649 4.898 -10.098 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.468 5.760 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.711 6.897 -9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.029 7.719 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.301 6.876 -10.286 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.543 9.146 -11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.068 8.227 -11.298 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.821 9.507 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.126 8.789 -9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.035 9.106 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.880 7.580 -8.240 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.553 4.536 -7.471 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.639 4.074 -6.565 1.00 0.00 C ATOM 1166 C VAL A 80 -4.019 3.056 -5.569 1.00 0.00 C ATOM 1167 O VAL A 80 -4.361 3.053 -4.380 1.00 0.00 O ATOM 1168 CB VAL A 80 -5.868 3.510 -7.363 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.160 3.363 -6.521 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.207 4.352 -8.617 1.00 0.00 C ATOM 0 H VAL A 80 -3.696 4.274 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.050 4.910 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.535 2.515 -7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.960 2.968 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.978 2.680 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.453 4.338 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.065 3.914 -9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.445 5.372 -8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.350 4.363 -9.290 1.00 0.00 H new ATOM 1180 N MET A 81 -3.132 2.180 -6.078 1.00 0.00 N ATOM 1181 CA MET A 81 -2.453 1.137 -5.264 1.00 0.00 C ATOM 1182 C MET A 81 -1.737 1.840 -4.078 1.00 0.00 C ATOM 1183 O MET A 81 -2.109 1.651 -2.914 1.00 0.00 O ATOM 1184 CB MET A 81 -1.471 0.294 -6.125 1.00 0.00 C ATOM 1185 CG MET A 81 -1.272 -1.168 -5.682 1.00 0.00 C ATOM 1186 SD MET A 81 0.393 -1.724 -6.110 1.00 0.00 S ATOM 1187 CE MET A 81 0.431 -3.353 -5.335 1.00 0.00 C ATOM 0 H MET A 81 -2.862 2.170 -7.062 1.00 0.00 H new ATOM 0 HA MET A 81 -3.187 0.431 -4.874 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.828 0.296 -7.155 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.500 0.789 -6.123 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.428 -1.255 -4.607 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.012 -1.806 -6.164 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.400 -3.819 -5.515 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.272 -3.249 -4.262 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.356 -3.976 -5.760 1.00 0.00 H new ATOM 1197 N MET A 82 -0.687 2.623 -4.393 1.00 0.00 N ATOM 1198 CA MET A 82 0.173 3.274 -3.372 1.00 0.00 C ATOM 1199 C MET A 82 -0.698 4.130 -2.411 1.00 0.00 C ATOM 1200 O MET A 82 -0.330 4.334 -1.247 1.00 0.00 O ATOM 1201 CB MET A 82 1.272 4.123 -4.075 1.00 0.00 C ATOM 1202 CG MET A 82 2.107 3.429 -5.167 1.00 0.00 C ATOM 1203 SD MET A 82 2.239 1.647 -4.894 1.00 0.00 S ATOM 1204 CE MET A 82 3.323 1.575 -3.454 1.00 0.00 C ATOM 0 H MET A 82 -0.408 2.824 -5.353 1.00 0.00 H new ATOM 0 HA MET A 82 0.673 2.515 -2.771 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.792 4.995 -4.520 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.956 4.491 -3.310 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.654 3.613 -6.141 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.105 3.866 -5.192 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.017 0.742 -3.562 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.884 2.506 -3.374 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.724 1.433 -2.554 1.00 0.00 H new ATOM 1214 N VAL A 83 -1.831 4.650 -2.919 1.00 0.00 N ATOM 1215 CA VAL A 83 -2.713 5.584 -2.169 1.00 0.00 C ATOM 1216 C VAL A 83 -3.337 4.796 -0.984 1.00 0.00 C ATOM 1217 O VAL A 83 -3.437 5.318 0.134 1.00 0.00 O ATOM 1218 CB VAL A 83 -3.776 6.266 -3.102 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.227 6.206 -2.563 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.440 7.744 -3.413 1.00 0.00 C ATOM 0 H VAL A 83 -2.166 4.439 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.135 6.418 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.724 5.672 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.897 6.699 -3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.528 5.165 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.278 6.711 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.209 8.163 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.400 8.312 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.473 7.800 -3.914 1.00 0.00 H new ATOM 1230 N ARG A 84 -3.779 3.553 -1.253 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.504 2.710 -0.264 1.00 0.00 C ATOM 1232 C ARG A 84 -3.560 2.456 0.942 1.00 0.00 C ATOM 1233 O ARG A 84 -4.013 2.371 2.091 1.00 0.00 O ATOM 1234 CB ARG A 84 -4.964 1.376 -0.917 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.364 1.420 -1.574 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.469 0.512 -2.814 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.053 -0.812 -2.480 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.129 -1.353 -3.087 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.107 -0.590 -3.555 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.270 -2.668 -3.181 1.00 0.00 N ATOM 0 H ARG A 84 -3.648 3.099 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.402 3.221 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.233 1.088 -1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.960 0.596 -0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.113 1.117 -0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.594 2.446 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.083 1.000 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.479 0.373 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.608 -1.351 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.053 0.424 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.913 -1.017 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.559 -3.286 -2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.090 -3.061 -3.643 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.252 2.308 0.661 1.00 0.00 N ATOM 1255 CA GLN A 85 -1.220 2.061 1.703 1.00 0.00 C ATOM 1256 C GLN A 85 -0.988 3.379 2.492 1.00 0.00 C ATOM 1257 O GLN A 85 -0.714 3.352 3.697 1.00 0.00 O ATOM 1258 CB GLN A 85 0.085 1.522 1.049 1.00 0.00 C ATOM 1259 CG GLN A 85 0.044 0.056 0.551 1.00 0.00 C ATOM 1260 CD GLN A 85 0.843 -0.934 1.417 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.347 -1.993 1.800 1.00 0.00 O ATOM 1262 NE2 GLN A 85 2.089 -0.620 1.739 1.00 0.00 N ATOM 0 H GLN A 85 -1.876 2.355 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.556 1.297 2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.336 2.164 0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.895 1.616 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.995 -0.272 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.429 0.021 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.493 0.260 1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.645 -1.258 2.308 1.00 0.00 H new ATOM 1271 N MET A 86 -1.107 4.523 1.793 1.00 0.00 N ATOM 1272 CA MET A 86 -0.823 5.865 2.368 1.00 0.00 C ATOM 1273 C MET A 86 -1.699 6.036 3.639 1.00 0.00 C ATOM 1274 O MET A 86 -1.256 6.619 4.636 1.00 0.00 O ATOM 1275 CB MET A 86 -1.069 6.991 1.325 1.00 0.00 C ATOM 1276 CG MET A 86 0.176 7.789 0.892 1.00 0.00 C ATOM 1277 SD MET A 86 -0.226 9.545 0.763 1.00 0.00 S ATOM 1278 CE MET A 86 -1.390 9.540 -0.617 1.00 0.00 C ATOM 0 H MET A 86 -1.401 4.551 0.817 1.00 0.00 H new ATOM 0 HA MET A 86 0.229 5.943 2.643 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.519 6.546 0.437 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.799 7.688 1.737 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.980 7.644 1.614 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.539 7.420 -0.067 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.225 10.422 -1.236 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.239 8.643 -1.217 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.410 9.552 -0.233 1.00 0.00 H new ATOM 1288 N LYS A 87 -2.951 5.547 3.570 1.00 0.00 N ATOM 1289 CA LYS A 87 -3.902 5.577 4.713 1.00 0.00 C ATOM 1290 C LYS A 87 -3.693 4.290 5.557 1.00 0.00 C ATOM 1291 O LYS A 87 -3.073 3.325 5.094 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.380 5.664 4.239 1.00 0.00 C ATOM 1293 CG LYS A 87 -5.926 7.095 4.022 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.406 7.297 4.409 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.682 8.524 5.301 1.00 0.00 C ATOM 1296 NZ LYS A 87 -7.991 9.718 4.494 1.00 0.00 N ATOM 0 H LYS A 87 -3.337 5.121 2.728 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.703 6.468 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.477 5.111 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.009 5.161 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.317 7.791 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.802 7.359 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.996 7.389 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.756 6.404 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.516 8.309 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.813 8.722 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.172 10.526 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.185 9.936 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.835 9.536 3.914 1.00 0.00 H new ATOM 1310 N GLU A 88 -4.220 4.294 6.796 1.00 0.00 N ATOM 1311 CA GLU A 88 -4.108 3.142 7.730 1.00 0.00 C ATOM 1312 C GLU A 88 -5.474 2.956 8.444 1.00 0.00 C ATOM 1313 O GLU A 88 -5.545 2.931 9.678 1.00 0.00 O ATOM 1314 CB GLU A 88 -2.917 3.352 8.708 1.00 0.00 C ATOM 1315 CG GLU A 88 -2.680 2.240 9.758 1.00 0.00 C ATOM 1316 CD GLU A 88 -1.213 2.059 10.160 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -0.750 2.756 11.090 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -0.515 1.222 9.545 1.00 0.00 O ATOM 0 H GLU A 88 -4.733 5.087 7.182 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.887 2.220 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.007 3.464 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.072 4.293 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.264 2.467 10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.056 1.296 9.363 1.00 0.00 H new ATOM 1325 N ASP A 89 -6.549 2.813 7.645 1.00 0.00 N ATOM 1326 CA ASP A 89 -7.930 2.630 8.165 1.00 0.00 C ATOM 1327 C ASP A 89 -8.245 1.110 8.219 1.00 0.00 C ATOM 1328 O ASP A 89 -8.096 0.471 9.267 1.00 0.00 O ATOM 1329 CB ASP A 89 -8.970 3.428 7.325 1.00 0.00 C ATOM 1330 CG ASP A 89 -10.450 3.121 7.612 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -10.765 2.645 8.725 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -11.300 3.361 6.726 1.00 0.00 O ATOM 0 H ASP A 89 -6.492 2.820 6.627 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.998 3.035 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.802 4.492 7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.778 3.236 6.269 1.00 0.00 H new ATOM 1337 N ALA A 90 -8.654 0.546 7.067 1.00 0.00 N ATOM 1338 CA ALA A 90 -8.980 -0.899 6.942 1.00 0.00 C ATOM 1339 C ALA A 90 -7.673 -1.711 7.029 1.00 0.00 C ATOM 1340 O ALA A 90 -6.967 -1.834 5.981 1.00 0.00 O ATOM 1341 CB ALA A 90 -9.749 -1.176 5.633 1.00 0.00 C ATOM 1342 OXT ALA A 90 -7.326 -2.237 8.132 1.00 0.00 O ATOM 0 H ALA A 90 -8.769 1.069 6.199 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.636 -1.205 7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.977 -2.240 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.677 -0.605 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.137 -0.879 4.782 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.777 -1.846 -19.646 1.00 0.00 CA HETATM 1350 CA CA A 92 -5.911 -2.362 -14.300 1.00 0.00 CA