USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 589 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 32 ASN : amide:sc= -0.0447 K(o=-0.045,f=-0.66) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0875 USER MOD Single : A 35 ASN : amide:sc= 0.07 X(o=0.07,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00862 X(o=-0.0086,f=-0.24) USER MOD Single : A 61 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -131:sc= -1.8 (180deg=-4.14!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -172:sc= 0 (180deg=-0.0718) USER MOD Single : A 84 SER OG : rot 180:sc= -1.13 USER MOD Single : A 85 THR OG1 : rot 155:sc= 1.39 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 31 -19.004 10.716 -12.911 1.00 0.00 N ATOM 2 CA PHE A 31 -18.195 9.582 -13.402 1.00 0.00 C ATOM 3 C PHE A 31 -17.497 9.974 -14.695 1.00 0.00 C ATOM 4 O PHE A 31 -18.072 10.727 -15.477 1.00 0.00 O ATOM 5 CB PHE A 31 -19.043 8.311 -13.590 1.00 0.00 C ATOM 6 CG PHE A 31 -18.995 7.390 -12.384 1.00 0.00 C ATOM 7 CD1 PHE A 31 -19.770 7.664 -11.239 1.00 0.00 C ATOM 8 CD2 PHE A 31 -18.143 6.267 -12.393 1.00 0.00 C ATOM 9 CE1 PHE A 31 -19.671 6.837 -10.104 1.00 0.00 C ATOM 10 CE2 PHE A 31 -18.052 5.436 -11.262 1.00 0.00 C ATOM 11 CZ PHE A 31 -18.810 5.725 -10.116 1.00 0.00 C ATOM 0 HA PHE A 31 -17.443 9.347 -12.649 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.077 8.595 -13.784 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -18.690 7.771 -14.469 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -20.441 8.510 -11.232 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -17.557 6.044 -13.273 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.257 7.057 -9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -17.399 4.576 -11.275 1.00 0.00 H new ATOM 0 HZ PHE A 31 -18.732 5.093 -9.244 1.00 0.00 H new ATOM 21 N ASN A 32 -16.272 9.479 -14.918 1.00 0.00 N ATOM 22 CA ASN A 32 -15.538 9.585 -16.188 1.00 0.00 C ATOM 23 C ASN A 32 -14.534 8.421 -16.323 1.00 0.00 C ATOM 24 O ASN A 32 -14.709 7.565 -17.181 1.00 0.00 O ATOM 25 CB ASN A 32 -14.817 10.958 -16.291 1.00 0.00 C ATOM 26 CG ASN A 32 -15.623 12.041 -16.990 1.00 0.00 C ATOM 27 OD1 ASN A 32 -16.327 11.806 -17.962 1.00 0.00 O ATOM 28 ND2 ASN A 32 -15.541 13.285 -16.564 1.00 0.00 N ATOM 0 H ASN A 32 -15.749 8.979 -14.199 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.251 9.519 -17.010 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.567 11.300 -15.286 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.876 10.821 -16.824 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.057 14.023 -17.043 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.961 13.510 -15.755 1.00 0.00 H new ATOM 35 N VAL A 33 -13.511 8.350 -15.458 1.00 0.00 N ATOM 36 CA VAL A 33 -12.392 7.382 -15.576 1.00 0.00 C ATOM 37 C VAL A 33 -11.980 6.774 -14.228 1.00 0.00 C ATOM 38 O VAL A 33 -12.273 7.338 -13.170 1.00 0.00 O ATOM 39 CB VAL A 33 -11.163 8.015 -16.278 1.00 0.00 C ATOM 40 CG1 VAL A 33 -11.487 8.473 -17.708 1.00 0.00 C ATOM 41 CG2 VAL A 33 -10.572 9.207 -15.514 1.00 0.00 C ATOM 0 H VAL A 33 -13.429 8.964 -14.648 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.769 6.568 -16.195 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.422 7.216 -16.302 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.597 8.910 -18.161 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.812 7.617 -18.299 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.283 9.218 -17.680 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.716 9.601 -16.061 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.328 9.986 -15.413 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.252 8.882 -14.524 1.00 0.00 H new ATOM 51 N SER A 34 -11.322 5.607 -14.265 1.00 0.00 N ATOM 52 CA SER A 34 -10.884 4.822 -13.098 1.00 0.00 C ATOM 53 C SER A 34 -9.760 5.479 -12.268 1.00 0.00 C ATOM 54 O SER A 34 -8.985 6.294 -12.764 1.00 0.00 O ATOM 55 CB SER A 34 -10.494 3.399 -13.548 1.00 0.00 C ATOM 56 OG SER A 34 -9.888 3.373 -14.832 1.00 0.00 O ATOM 0 H SER A 34 -11.068 5.163 -15.148 1.00 0.00 H new ATOM 0 HA SER A 34 -11.735 4.777 -12.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.808 2.968 -12.819 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.384 2.770 -13.559 1.00 0.00 H new ATOM 0 HG SER A 34 -9.660 2.449 -15.067 1.00 0.00 H new ATOM 62 N ASN A 35 -9.707 5.129 -10.976 1.00 0.00 N ATOM 63 CA ASN A 35 -8.851 5.740 -9.941 1.00 0.00 C ATOM 64 C ASN A 35 -8.630 4.785 -8.739 1.00 0.00 C ATOM 65 O ASN A 35 -9.098 5.027 -7.628 1.00 0.00 O ATOM 66 CB ASN A 35 -9.400 7.129 -9.528 1.00 0.00 C ATOM 67 CG ASN A 35 -10.905 7.191 -9.281 1.00 0.00 C ATOM 68 OD1 ASN A 35 -11.421 6.945 -8.202 1.00 0.00 O ATOM 69 ND2 ASN A 35 -11.666 7.531 -10.292 1.00 0.00 N ATOM 0 H ASN A 35 -10.286 4.377 -10.603 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.861 5.907 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.887 7.449 -8.621 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.147 7.847 -10.308 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.677 7.588 -10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.247 7.739 -11.198 1.00 0.00 H new ATOM 76 N ALA A 36 -7.942 3.661 -8.970 1.00 0.00 N ATOM 77 CA ALA A 36 -7.575 2.708 -7.912 1.00 0.00 C ATOM 78 C ALA A 36 -6.546 3.290 -6.923 1.00 0.00 C ATOM 79 O ALA A 36 -6.565 2.997 -5.724 1.00 0.00 O ATOM 80 CB ALA A 36 -6.997 1.448 -8.571 1.00 0.00 C ATOM 0 H ALA A 36 -7.622 3.384 -9.898 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.473 2.477 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.719 0.729 -7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.746 1.005 -9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.115 1.714 -9.154 1.00 0.00 H new ATOM 86 N GLU A 37 -5.643 4.125 -7.432 1.00 0.00 N ATOM 87 CA GLU A 37 -4.511 4.752 -6.736 1.00 0.00 C ATOM 88 C GLU A 37 -4.909 5.947 -5.841 1.00 0.00 C ATOM 89 O GLU A 37 -4.222 6.964 -5.796 1.00 0.00 O ATOM 90 CB GLU A 37 -3.382 5.067 -7.749 1.00 0.00 C ATOM 91 CG GLU A 37 -3.766 5.807 -9.041 1.00 0.00 C ATOM 92 CD GLU A 37 -4.425 4.877 -10.071 1.00 0.00 C ATOM 93 OE1 GLU A 37 -3.679 4.002 -10.665 1.00 0.00 O ATOM 94 OE2 GLU A 37 -5.623 4.936 -10.262 1.00 0.00 O ATOM 0 H GLU A 37 -5.682 4.404 -8.412 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.119 4.032 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.626 5.661 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.911 4.125 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.449 6.622 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.875 6.256 -9.478 1.00 0.00 H new ATOM 101 N LEU A 38 -6.023 5.816 -5.107 1.00 0.00 N ATOM 102 CA LEU A 38 -6.589 6.862 -4.245 1.00 0.00 C ATOM 103 C LEU A 38 -6.694 6.364 -2.797 1.00 0.00 C ATOM 104 O LEU A 38 -6.016 6.879 -1.915 1.00 0.00 O ATOM 105 CB LEU A 38 -7.940 7.314 -4.846 1.00 0.00 C ATOM 106 CG LEU A 38 -8.458 8.691 -4.384 1.00 0.00 C ATOM 107 CD1 LEU A 38 -9.762 8.987 -5.124 1.00 0.00 C ATOM 108 CD2 LEU A 38 -8.735 8.796 -2.883 1.00 0.00 C ATOM 0 H LEU A 38 -6.570 4.955 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.936 7.734 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.845 7.329 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.693 6.564 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.666 9.406 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.146 9.958 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.576 8.999 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.496 8.215 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.095 9.798 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.491 8.063 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.817 8.602 -2.329 1.00 0.00 H new ATOM 120 N ILE A 39 -7.464 5.300 -2.544 1.00 0.00 N ATOM 121 CA ILE A 39 -7.662 4.691 -1.213 1.00 0.00 C ATOM 122 C ILE A 39 -6.320 4.403 -0.510 1.00 0.00 C ATOM 123 O ILE A 39 -6.048 4.912 0.577 1.00 0.00 O ATOM 124 CB ILE A 39 -8.536 3.424 -1.348 1.00 0.00 C ATOM 125 CG1 ILE A 39 -9.938 3.859 -1.839 1.00 0.00 C ATOM 126 CG2 ILE A 39 -8.620 2.634 -0.027 1.00 0.00 C ATOM 127 CD1 ILE A 39 -10.967 2.729 -1.924 1.00 0.00 C ATOM 0 H ILE A 39 -7.985 4.820 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.187 5.402 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.081 2.746 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.319 4.629 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.837 4.315 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.244 1.752 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.620 2.325 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.055 3.265 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.918 3.129 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.614 1.967 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.103 2.286 -0.937 1.00 0.00 H new ATOM 139 N VAL A 40 -5.436 3.669 -1.192 1.00 0.00 N ATOM 140 CA VAL A 40 -4.088 3.314 -0.705 1.00 0.00 C ATOM 141 C VAL A 40 -3.111 4.497 -0.664 1.00 0.00 C ATOM 142 O VAL A 40 -2.030 4.380 -0.097 1.00 0.00 O ATOM 143 CB VAL A 40 -3.507 2.117 -1.491 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.336 0.849 -1.227 1.00 0.00 C ATOM 145 CG2 VAL A 40 -3.443 2.356 -3.008 1.00 0.00 C ATOM 0 H VAL A 40 -5.636 3.294 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.216 3.011 0.334 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.485 1.994 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.914 0.015 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.317 0.617 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.366 1.015 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.025 1.476 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.447 2.542 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.811 3.220 -3.214 1.00 0.00 H new ATOM 155 N MET A 41 -3.472 5.650 -1.236 1.00 0.00 N ATOM 156 CA MET A 41 -2.677 6.894 -1.254 1.00 0.00 C ATOM 157 C MET A 41 -3.310 8.034 -0.418 1.00 0.00 C ATOM 158 O MET A 41 -2.805 9.162 -0.387 1.00 0.00 O ATOM 159 CB MET A 41 -2.417 7.295 -2.723 1.00 0.00 C ATOM 160 CG MET A 41 -1.253 8.287 -2.882 1.00 0.00 C ATOM 161 SD MET A 41 -0.571 8.376 -4.562 1.00 0.00 S ATOM 162 CE MET A 41 0.738 9.605 -4.298 1.00 0.00 C ATOM 0 H MET A 41 -4.363 5.752 -1.721 1.00 0.00 H new ATOM 0 HA MET A 41 -1.721 6.706 -0.764 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.204 6.399 -3.306 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.323 7.738 -3.138 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.594 9.280 -2.588 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.456 8.007 -2.193 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.265 9.783 -5.236 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.296 10.538 -3.948 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.441 9.234 -3.552 1.00 0.00 H new ATOM 172 N ARG A 42 -4.370 7.712 0.346 1.00 0.00 N ATOM 173 CA ARG A 42 -5.089 8.618 1.260 1.00 0.00 C ATOM 174 C ARG A 42 -4.877 8.191 2.710 1.00 0.00 C ATOM 175 O ARG A 42 -4.559 9.037 3.541 1.00 0.00 O ATOM 176 CB ARG A 42 -6.571 8.640 0.824 1.00 0.00 C ATOM 177 CG ARG A 42 -7.562 9.465 1.681 1.00 0.00 C ATOM 178 CD ARG A 42 -8.112 8.722 2.904 1.00 0.00 C ATOM 179 NE ARG A 42 -9.561 9.041 3.115 1.00 0.00 N ATOM 180 CZ ARG A 42 -10.066 10.043 3.813 1.00 0.00 C ATOM 181 NH1 ARG A 42 -9.331 11.012 4.287 1.00 0.00 N ATOM 182 NH2 ARG A 42 -11.356 10.188 3.922 1.00 0.00 N ATOM 0 H ARG A 42 -4.766 6.772 0.343 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.704 9.636 1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.614 9.019 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.928 7.610 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.063 10.374 2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.397 9.774 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.988 7.648 2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.541 8.999 3.790 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.232 8.415 2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.324 11.015 4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.763 11.766 4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.984 9.525 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.738 10.964 4.463 1.00 0.00 H new ATOM 196 N VAL A 43 -5.011 6.896 3.020 1.00 0.00 N ATOM 197 CA VAL A 43 -4.837 6.407 4.406 1.00 0.00 C ATOM 198 C VAL A 43 -3.372 6.450 4.860 1.00 0.00 C ATOM 199 O VAL A 43 -3.079 6.889 5.966 1.00 0.00 O ATOM 200 CB VAL A 43 -5.470 5.015 4.637 1.00 0.00 C ATOM 201 CG1 VAL A 43 -6.966 5.062 4.299 1.00 0.00 C ATOM 202 CG2 VAL A 43 -4.818 3.858 3.861 1.00 0.00 C ATOM 0 H VAL A 43 -5.237 6.169 2.342 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.388 7.104 5.038 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.299 4.800 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.407 4.079 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.461 5.793 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.094 5.347 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.335 2.927 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.886 4.054 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.770 3.772 4.149 1.00 0.00 H new ATOM 212 N ILE A 44 -2.433 6.083 3.980 1.00 0.00 N ATOM 213 CA ILE A 44 -0.998 5.985 4.312 1.00 0.00 C ATOM 214 C ILE A 44 -0.297 7.342 4.371 1.00 0.00 C ATOM 215 O ILE A 44 0.572 7.563 5.209 1.00 0.00 O ATOM 216 CB ILE A 44 -0.305 5.039 3.314 1.00 0.00 C ATOM 217 CG1 ILE A 44 -1.020 3.670 3.268 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.186 4.916 3.652 1.00 0.00 C ATOM 219 CD1 ILE A 44 -1.145 2.946 4.613 1.00 0.00 C ATOM 0 H ILE A 44 -2.644 5.843 3.011 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.921 5.575 5.319 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.376 5.460 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.020 3.815 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.483 3.022 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.666 4.245 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.654 5.899 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.299 4.517 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.661 1.997 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.151 2.760 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.712 3.565 5.308 1.00 0.00 H new ATOM 231 N TRP A 45 -0.733 8.263 3.508 1.00 0.00 N ATOM 232 CA TRP A 45 -0.355 9.671 3.532 1.00 0.00 C ATOM 233 C TRP A 45 -0.630 10.303 4.908 1.00 0.00 C ATOM 234 O TRP A 45 0.052 11.235 5.317 1.00 0.00 O ATOM 235 CB TRP A 45 -1.115 10.379 2.393 1.00 0.00 C ATOM 236 CG TRP A 45 -1.169 11.873 2.467 1.00 0.00 C ATOM 237 CD1 TRP A 45 -2.056 12.575 3.208 1.00 0.00 C ATOM 238 CD2 TRP A 45 -0.295 12.866 1.843 1.00 0.00 C ATOM 239 NE1 TRP A 45 -1.775 13.920 3.118 1.00 0.00 N ATOM 240 CE2 TRP A 45 -0.701 14.161 2.289 1.00 0.00 C ATOM 241 CE3 TRP A 45 0.803 12.806 0.958 1.00 0.00 C ATOM 242 CZ2 TRP A 45 -0.036 15.331 1.890 1.00 0.00 C ATOM 243 CZ3 TRP A 45 1.464 13.979 0.535 1.00 0.00 C ATOM 244 CH2 TRP A 45 1.048 15.239 1.000 1.00 0.00 C ATOM 0 H TRP A 45 -1.379 8.038 2.751 1.00 0.00 H new ATOM 0 HA TRP A 45 0.718 9.781 3.372 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.653 10.099 1.446 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -2.137 9.999 2.374 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.863 12.146 3.783 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -2.297 14.648 3.605 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.143 11.846 0.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.354 16.293 2.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.295 13.908 -0.151 1.00 0.00 H new ATOM 0 HH2 TRP A 45 1.559 16.133 0.675 1.00 0.00 H new ATOM 255 N SER A 46 -1.650 9.801 5.611 1.00 0.00 N ATOM 256 CA SER A 46 -2.119 10.444 6.853 1.00 0.00 C ATOM 257 C SER A 46 -1.173 10.145 8.009 1.00 0.00 C ATOM 258 O SER A 46 -1.043 10.923 8.950 1.00 0.00 O ATOM 259 CB SER A 46 -3.527 9.932 7.184 1.00 0.00 C ATOM 260 OG SER A 46 -4.233 10.828 8.035 1.00 0.00 O ATOM 0 H SER A 46 -2.165 8.961 5.349 1.00 0.00 H new ATOM 0 HA SER A 46 -2.143 11.524 6.705 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.088 9.791 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.454 8.956 7.665 1.00 0.00 H new ATOM 0 HG SER A 46 -5.125 10.468 8.221 1.00 0.00 H new ATOM 266 N LEU A 47 -0.646 8.925 8.016 1.00 0.00 N ATOM 267 CA LEU A 47 0.273 8.346 8.995 1.00 0.00 C ATOM 268 C LEU A 47 1.759 8.740 8.784 1.00 0.00 C ATOM 269 O LEU A 47 2.418 9.194 9.719 1.00 0.00 O ATOM 270 CB LEU A 47 0.030 6.847 8.818 1.00 0.00 C ATOM 271 CG LEU A 47 0.342 5.996 10.034 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.653 4.843 10.016 1.00 0.00 C ATOM 273 CD2 LEU A 47 1.791 5.527 9.978 1.00 0.00 C ATOM 0 H LEU A 47 -0.868 8.259 7.276 1.00 0.00 H new ATOM 0 HA LEU A 47 0.086 8.709 10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.014 6.694 8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.633 6.493 7.982 1.00 0.00 H new ATOM 0 HG LEU A 47 0.241 6.549 10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.474 4.194 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.668 5.237 10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.530 4.271 9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.010 4.916 10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.948 4.936 9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.453 6.393 9.965 1.00 0.00 H new ATOM 285 N GLY A 48 2.284 8.529 7.561 1.00 0.00 N ATOM 286 CA GLY A 48 3.644 8.871 7.157 1.00 0.00 C ATOM 287 C GLY A 48 4.314 7.753 6.352 1.00 0.00 C ATOM 288 O GLY A 48 4.437 7.870 5.134 1.00 0.00 O ATOM 0 H GLY A 48 1.746 8.100 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.624 9.783 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.241 9.084 8.044 1.00 0.00 H new ATOM 292 N GLU A 49 4.709 6.645 7.011 1.00 0.00 N ATOM 293 CA GLU A 49 5.360 5.478 6.386 1.00 0.00 C ATOM 294 C GLU A 49 4.743 4.164 6.905 1.00 0.00 C ATOM 295 O GLU A 49 4.442 4.037 8.094 1.00 0.00 O ATOM 296 CB GLU A 49 6.893 5.571 6.572 1.00 0.00 C ATOM 297 CG GLU A 49 7.506 5.186 7.935 1.00 0.00 C ATOM 298 CD GLU A 49 8.530 6.223 8.465 1.00 0.00 C ATOM 299 OE1 GLU A 49 8.097 7.156 9.178 1.00 0.00 O ATOM 300 OE2 GLU A 49 9.748 6.112 8.182 1.00 0.00 O ATOM 0 H GLU A 49 4.581 6.535 8.017 1.00 0.00 H new ATOM 0 HA GLU A 49 5.178 5.479 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.355 4.940 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.189 6.598 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.705 5.071 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.996 4.217 7.844 1.00 0.00 H new ATOM 307 N ALA A 50 4.555 3.165 6.029 1.00 0.00 N ATOM 308 CA ALA A 50 3.779 1.970 6.356 1.00 0.00 C ATOM 309 C ALA A 50 4.420 0.678 5.841 1.00 0.00 C ATOM 310 O ALA A 50 5.186 0.677 4.886 1.00 0.00 O ATOM 311 CB ALA A 50 2.376 2.145 5.773 1.00 0.00 C ATOM 0 H ALA A 50 4.935 3.167 5.083 1.00 0.00 H new ATOM 0 HA ALA A 50 3.742 1.868 7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.774 1.266 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.909 3.028 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.444 2.266 4.692 1.00 0.00 H new ATOM 317 N ARG A 51 4.076 -0.465 6.444 1.00 0.00 N ATOM 318 CA ARG A 51 4.600 -1.789 6.062 1.00 0.00 C ATOM 319 C ARG A 51 3.537 -2.632 5.353 1.00 0.00 C ATOM 320 O ARG A 51 2.360 -2.297 5.380 1.00 0.00 O ATOM 321 CB ARG A 51 5.197 -2.460 7.302 1.00 0.00 C ATOM 322 CG ARG A 51 6.580 -1.841 7.528 1.00 0.00 C ATOM 323 CD ARG A 51 7.139 -2.017 8.931 1.00 0.00 C ATOM 324 NE ARG A 51 6.265 -1.368 9.925 1.00 0.00 N ATOM 325 CZ ARG A 51 6.125 -1.684 11.196 1.00 0.00 C ATOM 326 NH1 ARG A 51 6.781 -2.670 11.733 1.00 0.00 N ATOM 327 NH2 ARG A 51 5.327 -0.998 11.957 1.00 0.00 N ATOM 0 H ARG A 51 3.417 -0.501 7.222 1.00 0.00 H new ATOM 0 HA ARG A 51 5.399 -1.679 5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.558 -2.302 8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.276 -3.537 7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.279 -2.280 6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.526 -0.775 7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.233 -3.079 9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.140 -1.589 8.985 1.00 0.00 H new ATOM 0 HE ARG A 51 5.704 -0.584 9.590 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.425 -3.222 11.167 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.652 -2.891 12.720 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.806 -0.211 11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.222 -1.246 12.941 1.00 0.00 H new ATOM 341 N VAL A 52 3.898 -3.738 4.699 1.00 0.00 N ATOM 342 CA VAL A 52 2.904 -4.420 3.817 1.00 0.00 C ATOM 343 C VAL A 52 1.640 -4.995 4.480 1.00 0.00 C ATOM 344 O VAL A 52 0.589 -5.077 3.849 1.00 0.00 O ATOM 345 CB VAL A 52 3.519 -5.462 2.869 1.00 0.00 C ATOM 346 CG1 VAL A 52 5.035 -5.568 3.005 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.968 -6.878 3.006 1.00 0.00 C ATOM 0 H VAL A 52 4.818 -4.175 4.746 1.00 0.00 H new ATOM 0 HA VAL A 52 2.554 -3.566 3.237 1.00 0.00 H new ATOM 0 HB VAL A 52 3.234 -5.070 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.411 -6.319 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.489 -4.604 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.290 -5.857 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.468 -7.534 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.145 -7.241 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.897 -6.873 2.804 1.00 0.00 H new ATOM 357 N ASP A 53 1.784 -5.464 5.705 1.00 0.00 N ATOM 358 CA ASP A 53 0.686 -5.874 6.581 1.00 0.00 C ATOM 359 C ASP A 53 -0.083 -4.667 7.138 1.00 0.00 C ATOM 360 O ASP A 53 -1.255 -4.779 7.466 1.00 0.00 O ATOM 361 CB ASP A 53 1.333 -6.791 7.617 1.00 0.00 C ATOM 362 CG ASP A 53 0.554 -6.969 8.915 1.00 0.00 C ATOM 363 OD1 ASP A 53 -0.425 -7.732 8.917 1.00 0.00 O ATOM 364 OD2 ASP A 53 0.997 -6.427 9.951 1.00 0.00 O ATOM 0 H ASP A 53 2.700 -5.577 6.140 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.103 -6.420 6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.482 -7.772 7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.321 -6.398 7.858 1.00 0.00 H new ATOM 369 N GLU A 54 0.550 -3.495 7.168 1.00 0.00 N ATOM 370 CA GLU A 54 -0.072 -2.237 7.563 1.00 0.00 C ATOM 371 C GLU A 54 -1.036 -1.747 6.474 1.00 0.00 C ATOM 372 O GLU A 54 -2.218 -1.559 6.708 1.00 0.00 O ATOM 373 CB GLU A 54 1.055 -1.226 7.840 1.00 0.00 C ATOM 374 CG GLU A 54 0.704 -0.164 8.865 1.00 0.00 C ATOM 375 CD GLU A 54 -0.501 0.664 8.430 1.00 0.00 C ATOM 376 OE1 GLU A 54 -0.461 1.259 7.326 1.00 0.00 O ATOM 377 OE2 GLU A 54 -1.496 0.645 9.169 1.00 0.00 O ATOM 0 H GLU A 54 1.532 -3.394 6.912 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.670 -2.365 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.937 -1.768 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.325 -0.736 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.492 -0.639 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.561 0.492 9.017 1.00 0.00 H new ATOM 384 N ILE A 55 -0.564 -1.614 5.232 1.00 0.00 N ATOM 385 CA ILE A 55 -1.341 -1.031 4.106 1.00 0.00 C ATOM 386 C ILE A 55 -2.664 -1.726 3.783 1.00 0.00 C ATOM 387 O ILE A 55 -3.658 -1.076 3.460 1.00 0.00 O ATOM 388 CB ILE A 55 -0.482 -0.976 2.825 1.00 0.00 C ATOM 389 CG1 ILE A 55 0.004 -2.400 2.498 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.707 -0.031 3.014 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.113 -2.512 1.489 1.00 0.00 C ATOM 0 H ILE A 55 0.376 -1.907 4.965 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.604 -0.033 4.456 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.080 -0.593 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.336 -2.869 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.847 -2.977 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.301 -0.006 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.343 0.972 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.326 -0.385 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.368 -3.562 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.788 -2.083 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.989 -1.973 1.850 1.00 0.00 H new ATOM 403 N TYR A 56 -2.683 -3.056 3.874 1.00 0.00 N ATOM 404 CA TYR A 56 -3.892 -3.847 3.742 1.00 0.00 C ATOM 405 C TYR A 56 -4.876 -3.644 4.886 1.00 0.00 C ATOM 406 O TYR A 56 -6.083 -3.691 4.679 1.00 0.00 O ATOM 407 CB TYR A 56 -3.443 -5.293 3.735 1.00 0.00 C ATOM 408 CG TYR A 56 -4.584 -6.278 3.808 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.643 -6.216 2.882 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.614 -7.191 4.870 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.757 -7.060 3.031 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.728 -8.032 5.032 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.811 -7.950 4.125 1.00 0.00 C ATOM 414 OH TYR A 56 -7.906 -8.732 4.307 1.00 0.00 O ATOM 0 H TYR A 56 -1.846 -3.614 4.043 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.416 -3.547 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.868 -5.482 2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.774 -5.461 4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.599 -5.520 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.786 -7.248 5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.565 -7.028 2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.758 -8.740 5.847 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.782 -9.288 5.105 1.00 0.00 H new ATOM 424 N ALA A 57 -4.358 -3.402 6.081 1.00 0.00 N ATOM 425 CA ALA A 57 -5.161 -3.264 7.288 1.00 0.00 C ATOM 426 C ALA A 57 -6.206 -2.138 7.200 1.00 0.00 C ATOM 427 O ALA A 57 -7.200 -2.188 7.923 1.00 0.00 O ATOM 428 CB ALA A 57 -4.212 -3.049 8.461 1.00 0.00 C ATOM 0 H ALA A 57 -3.357 -3.295 6.242 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.741 -4.176 7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.788 -2.942 9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.543 -3.905 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.625 -2.146 8.294 1.00 0.00 H new ATOM 434 N GLN A 58 -6.033 -1.168 6.285 1.00 0.00 N ATOM 435 CA GLN A 58 -7.001 -0.087 6.107 1.00 0.00 C ATOM 436 C GLN A 58 -8.049 -0.354 5.003 1.00 0.00 C ATOM 437 O GLN A 58 -8.848 0.525 4.683 1.00 0.00 O ATOM 438 CB GLN A 58 -6.228 1.213 5.867 1.00 0.00 C ATOM 439 CG GLN A 58 -5.824 1.864 7.187 1.00 0.00 C ATOM 440 CD GLN A 58 -4.742 1.101 7.937 1.00 0.00 C ATOM 441 OE1 GLN A 58 -4.946 0.503 8.980 1.00 0.00 O ATOM 442 NE2 GLN A 58 -3.554 1.106 7.403 1.00 0.00 N ATOM 0 H GLN A 58 -5.229 -1.116 5.660 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.595 -0.010 7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.338 1.006 5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.843 1.904 5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.473 2.877 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.704 1.950 7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.389 1.608 6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.789 0.608 7.857 1.00 0.00 H new ATOM 451 N ILE A 59 -8.028 -1.551 4.415 1.00 0.00 N ATOM 452 CA ILE A 59 -8.907 -2.013 3.331 1.00 0.00 C ATOM 453 C ILE A 59 -10.066 -2.904 3.875 1.00 0.00 C ATOM 454 O ILE A 59 -9.877 -4.112 4.061 1.00 0.00 O ATOM 455 CB ILE A 59 -8.027 -2.713 2.276 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.920 -1.728 1.815 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.844 -3.196 1.075 1.00 0.00 C ATOM 458 CD1 ILE A 59 -6.002 -2.301 0.749 1.00 0.00 C ATOM 0 H ILE A 59 -7.360 -2.268 4.696 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.411 -1.172 2.855 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.580 -3.597 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.389 -0.822 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.322 -1.436 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.183 -3.683 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.600 -3.905 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.331 -2.344 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.253 -1.557 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.505 -3.190 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.588 -2.567 -0.131 1.00 0.00 H new ATOM 470 N PRO A 60 -11.265 -2.342 4.162 1.00 0.00 N ATOM 471 CA PRO A 60 -12.404 -3.078 4.730 1.00 0.00 C ATOM 472 C PRO A 60 -13.179 -3.921 3.696 1.00 0.00 C ATOM 473 O PRO A 60 -13.053 -3.728 2.485 1.00 0.00 O ATOM 474 CB PRO A 60 -13.317 -1.992 5.314 1.00 0.00 C ATOM 475 CG PRO A 60 -13.099 -0.823 4.361 1.00 0.00 C ATOM 476 CD PRO A 60 -11.609 -0.931 4.052 1.00 0.00 C ATOM 0 HA PRO A 60 -12.052 -3.800 5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.360 -2.308 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.040 -1.737 6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.709 -0.912 3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.351 0.131 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.392 -0.556 3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.024 -0.333 4.751 1.00 0.00 H new ATOM 484 N GLN A 61 -14.074 -4.795 4.179 1.00 0.00 N ATOM 485 CA GLN A 61 -14.866 -5.720 3.347 1.00 0.00 C ATOM 486 C GLN A 61 -15.758 -5.032 2.295 1.00 0.00 C ATOM 487 O GLN A 61 -15.930 -5.580 1.210 1.00 0.00 O ATOM 488 CB GLN A 61 -15.728 -6.635 4.241 1.00 0.00 C ATOM 489 CG GLN A 61 -14.931 -7.711 4.994 1.00 0.00 C ATOM 490 CD GLN A 61 -14.302 -8.713 4.026 1.00 0.00 C ATOM 491 OE1 GLN A 61 -14.960 -9.491 3.367 1.00 0.00 O ATOM 492 NE2 GLN A 61 -13.012 -8.679 3.850 1.00 0.00 N ATOM 0 H GLN A 61 -14.273 -4.882 5.176 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.136 -6.304 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.260 -6.019 4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.482 -7.123 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.150 -7.238 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.588 -8.235 5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.440 -8.033 4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.574 -9.299 3.169 1.00 0.00 H new ATOM 501 N GLU A 62 -16.292 -3.828 2.565 1.00 0.00 N ATOM 502 CA GLU A 62 -17.211 -3.085 1.662 1.00 0.00 C ATOM 503 C GLU A 62 -16.624 -2.741 0.269 1.00 0.00 C ATOM 504 O GLU A 62 -17.357 -2.365 -0.649 1.00 0.00 O ATOM 505 CB GLU A 62 -17.698 -1.788 2.335 1.00 0.00 C ATOM 506 CG GLU A 62 -18.428 -2.032 3.662 1.00 0.00 C ATOM 507 CD GLU A 62 -19.210 -0.792 4.123 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.623 0.308 4.205 1.00 0.00 O ATOM 509 OE2 GLU A 62 -20.427 -0.900 4.412 1.00 0.00 O ATOM 0 H GLU A 62 -16.098 -3.328 3.432 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.039 -3.772 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.843 -1.136 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.365 -1.261 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.113 -2.872 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.705 -2.310 4.428 1.00 0.00 H new ATOM 516 N LEU A 63 -15.301 -2.851 0.109 1.00 0.00 N ATOM 517 CA LEU A 63 -14.570 -2.659 -1.153 1.00 0.00 C ATOM 518 C LEU A 63 -14.414 -3.950 -1.953 1.00 0.00 C ATOM 519 O LEU A 63 -14.148 -3.917 -3.147 1.00 0.00 O ATOM 520 CB LEU A 63 -13.156 -2.163 -0.825 1.00 0.00 C ATOM 521 CG LEU A 63 -13.090 -0.907 0.043 1.00 0.00 C ATOM 522 CD1 LEU A 63 -11.622 -0.582 0.237 1.00 0.00 C ATOM 523 CD2 LEU A 63 -13.836 0.238 -0.619 1.00 0.00 C ATOM 0 H LEU A 63 -14.683 -3.086 0.886 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.143 -1.949 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.616 -2.963 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.632 -1.967 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.568 -1.069 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.526 0.312 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.126 -1.418 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.157 -0.405 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.778 1.124 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.386 0.454 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.880 -0.041 -0.759 1.00 0.00 H new ATOM 535 N GLU A 64 -14.487 -5.072 -1.251 1.00 0.00 N ATOM 536 CA GLU A 64 -14.364 -6.463 -1.744 1.00 0.00 C ATOM 537 C GLU A 64 -12.945 -6.819 -2.250 1.00 0.00 C ATOM 538 O GLU A 64 -12.688 -7.891 -2.800 1.00 0.00 O ATOM 539 CB GLU A 64 -15.479 -6.793 -2.764 1.00 0.00 C ATOM 540 CG GLU A 64 -16.885 -6.605 -2.164 1.00 0.00 C ATOM 541 CD GLU A 64 -18.018 -6.801 -3.178 1.00 0.00 C ATOM 542 OE1 GLU A 64 -17.967 -7.736 -4.006 1.00 0.00 O ATOM 543 OE2 GLU A 64 -19.007 -6.029 -3.137 1.00 0.00 O ATOM 0 H GLU A 64 -14.646 -5.047 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.512 -7.116 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.370 -6.153 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.365 -7.822 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.018 -7.310 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.958 -5.604 -1.739 1.00 0.00 H new ATOM 550 N TRP A 65 -11.976 -5.926 -2.032 1.00 0.00 N ATOM 551 CA TRP A 65 -10.568 -6.091 -2.397 1.00 0.00 C ATOM 552 C TRP A 65 -9.850 -7.083 -1.471 1.00 0.00 C ATOM 553 O TRP A 65 -9.310 -6.701 -0.432 1.00 0.00 O ATOM 554 CB TRP A 65 -9.854 -4.731 -2.362 1.00 0.00 C ATOM 555 CG TRP A 65 -10.259 -3.687 -3.359 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.338 -3.705 -4.176 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.588 -2.421 -3.628 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.418 -2.517 -4.871 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.352 -1.692 -4.588 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.403 -1.821 -3.152 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.971 -0.422 -5.039 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -7.997 -0.560 -3.620 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.778 0.148 -4.556 1.00 0.00 C ATOM 0 H TRP A 65 -12.160 -5.032 -1.577 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.534 -6.497 -3.408 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.991 -4.310 -1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.787 -4.913 -2.487 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -12.032 -4.527 -4.269 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -12.173 -2.279 -5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.801 -2.337 -2.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.585 0.113 -5.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.076 -0.128 -3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.463 1.122 -4.900 1.00 0.00 H new ATOM 574 N SER A 66 -9.782 -8.357 -1.871 1.00 0.00 N ATOM 575 CA SER A 66 -8.947 -9.358 -1.190 1.00 0.00 C ATOM 576 C SER A 66 -7.458 -8.998 -1.233 1.00 0.00 C ATOM 577 O SER A 66 -7.017 -8.262 -2.116 1.00 0.00 O ATOM 578 CB SER A 66 -9.140 -10.737 -1.818 1.00 0.00 C ATOM 579 OG SER A 66 -8.646 -11.723 -0.926 1.00 0.00 O ATOM 0 H SER A 66 -10.299 -8.724 -2.670 1.00 0.00 H new ATOM 0 HA SER A 66 -9.267 -9.373 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.196 -10.912 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.614 -10.794 -2.771 1.00 0.00 H new ATOM 0 HG SER A 66 -8.768 -12.612 -1.321 1.00 0.00 H new ATOM 585 N LEU A 67 -6.658 -9.535 -0.303 1.00 0.00 N ATOM 586 CA LEU A 67 -5.244 -9.222 -0.129 1.00 0.00 C ATOM 587 C LEU A 67 -4.409 -9.265 -1.419 1.00 0.00 C ATOM 588 O LEU A 67 -3.461 -8.489 -1.564 1.00 0.00 O ATOM 589 CB LEU A 67 -4.645 -10.162 0.933 1.00 0.00 C ATOM 590 CG LEU A 67 -3.904 -9.488 2.101 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.933 -10.512 2.655 1.00 0.00 C ATOM 592 CD2 LEU A 67 -3.109 -8.242 1.730 1.00 0.00 C ATOM 0 H LEU A 67 -6.995 -10.223 0.370 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.199 -8.183 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.450 -10.770 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.953 -10.842 0.436 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.662 -9.158 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.382 -10.077 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.484 -11.386 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.233 -10.810 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.624 -7.841 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.352 -8.500 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.782 -7.492 1.314 1.00 0.00 H new ATOM 604 N ALA A 68 -4.741 -10.146 -2.369 1.00 0.00 N ATOM 605 CA ALA A 68 -4.058 -10.175 -3.661 1.00 0.00 C ATOM 606 C ALA A 68 -4.167 -8.821 -4.404 1.00 0.00 C ATOM 607 O ALA A 68 -3.175 -8.350 -4.962 1.00 0.00 O ATOM 608 CB ALA A 68 -4.619 -11.332 -4.500 1.00 0.00 C ATOM 0 H ALA A 68 -5.476 -10.845 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.994 -10.341 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.114 -11.360 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.454 -12.274 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.688 -11.185 -4.654 1.00 0.00 H new ATOM 614 N THR A 69 -5.322 -8.140 -4.322 1.00 0.00 N ATOM 615 CA THR A 69 -5.540 -6.822 -4.935 1.00 0.00 C ATOM 616 C THR A 69 -4.549 -5.766 -4.454 1.00 0.00 C ATOM 617 O THR A 69 -3.919 -5.131 -5.292 1.00 0.00 O ATOM 618 CB THR A 69 -6.982 -6.323 -4.760 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.834 -7.205 -5.459 1.00 0.00 O ATOM 620 CG2 THR A 69 -7.185 -4.917 -5.334 1.00 0.00 C ATOM 0 H THR A 69 -6.138 -8.494 -3.823 1.00 0.00 H new ATOM 0 HA THR A 69 -5.362 -6.973 -6.000 1.00 0.00 H new ATOM 0 HB THR A 69 -7.202 -6.288 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.763 -6.909 -5.361 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.220 -4.609 -5.186 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.522 -4.217 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.957 -4.923 -6.400 1.00 0.00 H new ATOM 628 N VAL A 70 -4.350 -5.535 -3.148 1.00 0.00 N ATOM 629 CA VAL A 70 -3.407 -4.486 -2.725 1.00 0.00 C ATOM 630 C VAL A 70 -1.966 -4.764 -3.161 1.00 0.00 C ATOM 631 O VAL A 70 -1.263 -3.873 -3.635 1.00 0.00 O ATOM 632 CB VAL A 70 -3.503 -4.216 -1.216 1.00 0.00 C ATOM 633 CG1 VAL A 70 -2.905 -5.302 -0.324 1.00 0.00 C ATOM 634 CG2 VAL A 70 -2.726 -2.951 -0.909 1.00 0.00 C ATOM 0 H VAL A 70 -4.810 -6.039 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.709 -3.577 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.570 -4.158 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.022 -5.019 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.420 -6.246 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.845 -5.418 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.781 -2.740 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.684 -3.085 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.154 -2.117 -1.466 1.00 0.00 H new ATOM 644 N LYS A 71 -1.554 -6.033 -3.069 1.00 0.00 N ATOM 645 CA LYS A 71 -0.283 -6.565 -3.576 1.00 0.00 C ATOM 646 C LYS A 71 -0.021 -6.180 -5.031 1.00 0.00 C ATOM 647 O LYS A 71 1.037 -5.629 -5.321 1.00 0.00 O ATOM 648 CB LYS A 71 -0.278 -8.097 -3.417 1.00 0.00 C ATOM 649 CG LYS A 71 0.502 -8.577 -2.217 1.00 0.00 C ATOM 650 CD LYS A 71 -0.427 -8.544 -1.015 1.00 0.00 C ATOM 651 CE LYS A 71 0.308 -8.668 0.290 1.00 0.00 C ATOM 652 NZ LYS A 71 1.222 -7.545 0.541 1.00 0.00 N ATOM 0 H LYS A 71 -2.123 -6.750 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 71 0.522 -6.122 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.306 -8.449 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.143 -8.546 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.875 -9.587 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.370 -7.940 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.991 -7.611 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.151 -9.355 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.415 -8.730 1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.875 -9.599 0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.155 -7.912 0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.318 -6.975 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.842 -6.952 1.306 1.00 0.00 H new ATOM 666 N THR A 72 -0.988 -6.407 -5.920 1.00 0.00 N ATOM 667 CA THR A 72 -0.832 -5.970 -7.321 1.00 0.00 C ATOM 668 C THR A 72 -0.875 -4.444 -7.473 1.00 0.00 C ATOM 669 O THR A 72 -0.036 -3.879 -8.172 1.00 0.00 O ATOM 670 CB THR A 72 -1.786 -6.702 -8.278 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.566 -6.308 -9.610 1.00 0.00 O ATOM 672 CG2 THR A 72 -3.263 -6.489 -7.993 1.00 0.00 C ATOM 0 H THR A 72 -1.868 -6.878 -5.711 1.00 0.00 H new ATOM 0 HA THR A 72 0.172 -6.266 -7.624 1.00 0.00 H new ATOM 0 HB THR A 72 -1.557 -7.755 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.184 -6.789 -10.200 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.857 -7.044 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.494 -6.843 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.498 -5.427 -8.067 1.00 0.00 H new ATOM 680 N LEU A 73 -1.771 -3.741 -6.766 1.00 0.00 N ATOM 681 CA LEU A 73 -2.025 -2.317 -6.910 1.00 0.00 C ATOM 682 C LEU A 73 -0.794 -1.484 -6.507 1.00 0.00 C ATOM 683 O LEU A 73 -0.374 -0.579 -7.232 1.00 0.00 O ATOM 684 CB LEU A 73 -3.269 -2.042 -6.039 1.00 0.00 C ATOM 685 CG LEU A 73 -4.141 -0.856 -6.444 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.181 -0.639 -5.349 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.297 0.385 -6.629 1.00 0.00 C ATOM 0 H LEU A 73 -2.357 -4.174 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.213 -2.026 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.890 -2.938 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.938 -1.886 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.635 -1.061 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.818 0.205 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.791 -1.536 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.677 -0.430 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.936 1.220 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.790 0.623 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.556 0.208 -7.409 1.00 0.00 H new ATOM 699 N LEU A 74 -0.129 -1.850 -5.407 1.00 0.00 N ATOM 700 CA LEU A 74 1.143 -1.241 -5.003 1.00 0.00 C ATOM 701 C LEU A 74 2.153 -1.214 -6.129 1.00 0.00 C ATOM 702 O LEU A 74 2.679 -0.170 -6.491 1.00 0.00 O ATOM 703 CB LEU A 74 1.775 -2.085 -3.899 1.00 0.00 C ATOM 704 CG LEU A 74 1.198 -1.828 -2.519 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.935 -2.757 -1.561 1.00 0.00 C ATOM 706 CD2 LEU A 74 1.387 -0.365 -2.148 1.00 0.00 C ATOM 0 H LEU A 74 -0.457 -2.577 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 74 0.913 -0.224 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.648 -3.139 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.847 -1.890 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 74 0.127 -2.026 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.556 -2.611 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.775 -3.792 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.001 -2.533 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.971 -0.184 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.450 -0.125 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.875 0.264 -2.876 1.00 0.00 H new ATOM 718 N GLY A 75 2.328 -2.384 -6.718 1.00 0.00 N ATOM 719 CA GLY A 75 3.140 -2.680 -7.897 1.00 0.00 C ATOM 720 C GLY A 75 2.812 -1.785 -9.091 1.00 0.00 C ATOM 721 O GLY A 75 3.606 -1.684 -10.014 1.00 0.00 O ATOM 0 H GLY A 75 1.871 -3.222 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.194 -2.565 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.992 -3.722 -8.180 1.00 0.00 H new ATOM 725 N ARG A 76 1.623 -1.189 -9.127 1.00 0.00 N ATOM 726 CA ARG A 76 1.250 -0.143 -10.092 1.00 0.00 C ATOM 727 C ARG A 76 1.734 1.225 -9.633 1.00 0.00 C ATOM 728 O ARG A 76 2.385 1.918 -10.410 1.00 0.00 O ATOM 729 CB ARG A 76 -0.264 -0.149 -10.342 1.00 0.00 C ATOM 730 CG ARG A 76 -0.803 -1.546 -10.706 1.00 0.00 C ATOM 731 CD ARG A 76 -0.460 -1.948 -12.147 1.00 0.00 C ATOM 732 NE ARG A 76 -0.548 -3.411 -12.344 1.00 0.00 N ATOM 733 CZ ARG A 76 0.462 -4.265 -12.414 1.00 0.00 C ATOM 734 NH1 ARG A 76 1.705 -3.935 -12.155 1.00 0.00 N ATOM 735 NH2 ARG A 76 0.241 -5.511 -12.702 1.00 0.00 N ATOM 0 H ARG A 76 0.873 -1.420 -8.476 1.00 0.00 H new ATOM 0 HA ARG A 76 1.744 -0.362 -11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.776 0.212 -9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.497 0.547 -11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.389 -2.283 -10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.885 -1.560 -10.575 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.140 -1.447 -12.836 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.547 -1.608 -12.389 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.485 -3.804 -12.436 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.933 -2.979 -11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.444 -4.635 -12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.711 -5.833 -12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.019 -6.168 -12.756 1.00 0.00 H new ATOM 749 N LEU A 77 1.479 1.587 -8.365 1.00 0.00 N ATOM 750 CA LEU A 77 1.903 2.891 -7.822 1.00 0.00 C ATOM 751 C LEU A 77 3.413 3.122 -7.960 1.00 0.00 C ATOM 752 O LEU A 77 3.878 4.138 -8.476 1.00 0.00 O ATOM 753 CB LEU A 77 1.584 2.972 -6.318 1.00 0.00 C ATOM 754 CG LEU A 77 0.241 2.436 -5.846 1.00 0.00 C ATOM 755 CD1 LEU A 77 0.149 2.672 -4.351 1.00 0.00 C ATOM 756 CD2 LEU A 77 -0.876 3.095 -6.612 1.00 0.00 C ATOM 0 H LEU A 77 0.983 0.997 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 77 1.362 3.644 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.366 2.435 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.651 4.018 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 77 0.150 1.366 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.806 2.297 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.963 2.149 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.223 3.740 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.833 2.705 -6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.843 4.172 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.761 2.886 -7.675 1.00 0.00 H new ATOM 768 N VAL A 78 4.161 2.130 -7.475 1.00 0.00 N ATOM 769 CA VAL A 78 5.637 2.219 -7.381 1.00 0.00 C ATOM 770 C VAL A 78 6.293 2.261 -8.778 1.00 0.00 C ATOM 771 O VAL A 78 7.237 3.014 -8.994 1.00 0.00 O ATOM 772 CB VAL A 78 6.301 1.258 -6.341 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.357 0.522 -5.361 1.00 0.00 C ATOM 774 CG2 VAL A 78 7.212 0.167 -6.914 1.00 0.00 C ATOM 0 H VAL A 78 3.776 1.248 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 78 5.856 3.186 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 78 6.880 2.012 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.945 -0.110 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.803 1.253 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.657 -0.095 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.614 -0.436 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.638 -0.469 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.033 0.629 -7.463 1.00 0.00 H new ATOM 784 N LYS A 79 5.717 1.559 -9.766 1.00 0.00 N ATOM 785 CA LYS A 79 6.043 1.539 -11.202 1.00 0.00 C ATOM 786 C LYS A 79 5.583 2.746 -12.026 1.00 0.00 C ATOM 787 O LYS A 79 5.917 2.843 -13.206 1.00 0.00 O ATOM 788 CB LYS A 79 5.519 0.216 -11.776 1.00 0.00 C ATOM 789 CG LYS A 79 6.199 -1.000 -11.117 1.00 0.00 C ATOM 790 CD LYS A 79 7.688 -1.105 -11.433 1.00 0.00 C ATOM 791 CE LYS A 79 7.763 -1.533 -12.898 1.00 0.00 C ATOM 792 NZ LYS A 79 9.115 -1.916 -13.358 1.00 0.00 N ATOM 0 H LYS A 79 4.939 0.932 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 79 7.127 1.615 -11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.441 0.156 -11.626 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.693 0.192 -12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.068 -0.939 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.699 -1.910 -11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.191 -0.151 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.177 -1.833 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.089 -2.376 -13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.399 -0.716 -13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.076 -2.192 -14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.761 -1.109 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.460 -2.717 -12.792 1.00 0.00 H new ATOM 806 N LYS A 80 4.774 3.619 -11.434 1.00 0.00 N ATOM 807 CA LYS A 80 4.318 4.898 -12.029 1.00 0.00 C ATOM 808 C LYS A 80 4.828 6.155 -11.289 1.00 0.00 C ATOM 809 O LYS A 80 4.389 7.254 -11.613 1.00 0.00 O ATOM 810 CB LYS A 80 2.786 4.890 -12.239 1.00 0.00 C ATOM 811 CG LYS A 80 2.308 3.941 -13.363 1.00 0.00 C ATOM 812 CD LYS A 80 0.811 4.173 -13.655 1.00 0.00 C ATOM 813 CE LYS A 80 0.153 3.159 -14.611 1.00 0.00 C ATOM 814 NZ LYS A 80 0.506 3.348 -16.041 1.00 0.00 N ATOM 0 H LYS A 80 4.399 3.463 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 80 4.784 4.970 -13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.303 4.602 -11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.456 5.903 -12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.893 4.112 -14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.472 2.905 -13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.269 4.158 -12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.692 5.172 -14.076 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.441 2.152 -14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.930 3.227 -14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.024 2.628 -16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.207 4.295 -16.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.535 3.254 -16.160 1.00 0.00 H new ATOM 828 N GLU A 81 5.786 5.998 -10.365 1.00 0.00 N ATOM 829 CA GLU A 81 6.475 7.064 -9.605 1.00 0.00 C ATOM 830 C GLU A 81 5.641 7.675 -8.458 1.00 0.00 C ATOM 831 O GLU A 81 6.033 8.701 -7.902 1.00 0.00 O ATOM 832 CB GLU A 81 7.065 8.178 -10.503 1.00 0.00 C ATOM 833 CG GLU A 81 7.891 7.724 -11.715 1.00 0.00 C ATOM 834 CD GLU A 81 8.620 8.914 -12.372 1.00 0.00 C ATOM 835 OE1 GLU A 81 8.006 10.022 -12.448 1.00 0.00 O ATOM 836 OE2 GLU A 81 9.791 8.762 -12.766 1.00 0.00 O ATOM 0 H GLU A 81 6.125 5.071 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 81 7.307 6.538 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.242 8.795 -10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.694 8.817 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.619 6.976 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.238 7.247 -12.445 1.00 0.00 H new ATOM 843 N MET A 82 4.500 7.078 -8.088 1.00 0.00 N ATOM 844 CA MET A 82 3.577 7.652 -7.086 1.00 0.00 C ATOM 845 C MET A 82 4.139 7.624 -5.655 1.00 0.00 C ATOM 846 O MET A 82 3.892 8.531 -4.869 1.00 0.00 O ATOM 847 CB MET A 82 2.249 6.881 -7.071 1.00 0.00 C ATOM 848 CG MET A 82 1.621 6.621 -8.442 1.00 0.00 C ATOM 849 SD MET A 82 1.149 8.069 -9.423 1.00 0.00 S ATOM 850 CE MET A 82 -0.137 8.801 -8.367 1.00 0.00 C ATOM 0 H MET A 82 4.187 6.186 -8.471 1.00 0.00 H new ATOM 0 HA MET A 82 3.434 8.690 -7.386 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.411 5.923 -6.578 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.534 7.435 -6.463 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.324 6.029 -9.029 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.732 6.007 -8.296 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.623 9.618 -8.900 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.877 8.041 -8.115 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.317 9.183 -7.453 1.00 0.00 H new ATOM 860 N LEU A 83 4.858 6.552 -5.305 1.00 0.00 N ATOM 861 CA LEU A 83 5.583 6.358 -4.031 1.00 0.00 C ATOM 862 C LEU A 83 6.719 5.319 -4.183 1.00 0.00 C ATOM 863 O LEU A 83 6.874 4.730 -5.252 1.00 0.00 O ATOM 864 CB LEU A 83 4.617 6.036 -2.859 1.00 0.00 C ATOM 865 CG LEU A 83 4.291 4.554 -2.578 1.00 0.00 C ATOM 866 CD1 LEU A 83 3.268 4.436 -1.449 1.00 0.00 C ATOM 867 CD2 LEU A 83 3.716 3.853 -3.797 1.00 0.00 C ATOM 0 H LEU A 83 4.959 5.752 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 83 6.061 7.303 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.040 6.463 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.677 6.555 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 83 5.233 4.079 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.050 3.384 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.672 4.887 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.351 4.952 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.502 2.813 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.795 4.350 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.437 3.892 -4.613 1.00 0.00 H new ATOM 879 N SER A 84 7.476 5.057 -3.113 1.00 0.00 N ATOM 880 CA SER A 84 8.546 4.045 -3.073 1.00 0.00 C ATOM 881 C SER A 84 8.359 3.006 -1.979 1.00 0.00 C ATOM 882 O SER A 84 7.464 3.088 -1.139 1.00 0.00 O ATOM 883 CB SER A 84 9.954 4.613 -2.854 1.00 0.00 C ATOM 884 OG SER A 84 10.124 5.989 -2.921 1.00 0.00 O ATOM 0 H SER A 84 7.362 5.552 -2.228 1.00 0.00 H new ATOM 0 HA SER A 84 8.464 3.601 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.298 4.282 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.615 4.160 -3.593 1.00 0.00 H new ATOM 0 HG SER A 84 11.065 6.210 -2.762 1.00 0.00 H new ATOM 890 N THR A 85 9.213 1.988 -2.013 1.00 0.00 N ATOM 891 CA THR A 85 9.194 0.900 -1.043 1.00 0.00 C ATOM 892 C THR A 85 10.579 0.278 -0.820 1.00 0.00 C ATOM 893 O THR A 85 11.351 0.196 -1.782 1.00 0.00 O ATOM 894 CB THR A 85 8.181 -0.120 -1.539 1.00 0.00 C ATOM 895 OG1 THR A 85 8.016 -1.163 -0.623 1.00 0.00 O ATOM 896 CG2 THR A 85 8.573 -0.645 -2.921 1.00 0.00 C ATOM 0 H THR A 85 9.943 1.895 -2.720 1.00 0.00 H new ATOM 0 HA THR A 85 8.905 1.282 -0.064 1.00 0.00 H new ATOM 0 HB THR A 85 7.218 0.381 -1.632 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.128 -1.562 -0.738 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.835 -1.373 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.612 0.184 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.552 -1.120 -2.865 1.00 0.00 H new ATOM 904 N GLU A 86 10.903 -0.111 0.430 1.00 0.00 N ATOM 905 CA GLU A 86 12.226 -0.659 0.786 1.00 0.00 C ATOM 906 C GLU A 86 12.116 -1.840 1.749 1.00 0.00 C ATOM 907 O GLU A 86 11.229 -1.877 2.599 1.00 0.00 O ATOM 908 CB GLU A 86 13.157 0.409 1.386 1.00 0.00 C ATOM 909 CG GLU A 86 13.706 1.428 0.353 1.00 0.00 C ATOM 910 CD GLU A 86 14.730 0.844 -0.643 1.00 0.00 C ATOM 911 OE1 GLU A 86 15.325 -0.213 -0.353 1.00 0.00 O ATOM 912 OE2 GLU A 86 15.019 1.441 -1.706 1.00 0.00 O ATOM 0 H GLU A 86 10.257 -0.054 1.217 1.00 0.00 H new ATOM 0 HA GLU A 86 12.662 -1.010 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.617 0.951 2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.997 -0.088 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.869 1.843 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.171 2.255 0.890 1.00 0.00 H new ATOM 919 N LYS A 87 13.007 -2.833 1.611 1.00 0.00 N ATOM 920 CA LYS A 87 13.020 -4.052 2.412 1.00 0.00 C ATOM 921 C LYS A 87 13.520 -3.841 3.847 1.00 0.00 C ATOM 922 O LYS A 87 14.644 -3.407 4.073 1.00 0.00 O ATOM 923 CB LYS A 87 13.905 -5.074 1.689 1.00 0.00 C ATOM 924 CG LYS A 87 13.672 -6.498 2.195 1.00 0.00 C ATOM 925 CD LYS A 87 14.717 -7.413 1.559 1.00 0.00 C ATOM 926 CE LYS A 87 14.247 -8.857 1.693 1.00 0.00 C ATOM 927 NZ LYS A 87 15.249 -9.821 1.166 1.00 0.00 N ATOM 0 H LYS A 87 13.756 -2.803 0.919 1.00 0.00 H new ATOM 0 HA LYS A 87 11.993 -4.404 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.705 -5.033 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.953 -4.808 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.750 -6.532 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.667 -6.833 1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.855 -7.156 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.682 -7.282 2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.049 -9.078 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.306 -8.983 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.889 -10.791 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.420 -9.628 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.139 -9.720 1.694 1.00 0.00 H new ATOM 941 N GLU A 88 12.730 -4.313 4.809 1.00 0.00 N ATOM 942 CA GLU A 88 13.087 -4.431 6.226 1.00 0.00 C ATOM 943 C GLU A 88 13.058 -5.908 6.663 1.00 0.00 C ATOM 944 O GLU A 88 12.076 -6.433 7.203 1.00 0.00 O ATOM 945 CB GLU A 88 12.245 -3.476 7.099 1.00 0.00 C ATOM 946 CG GLU A 88 13.097 -2.326 7.666 1.00 0.00 C ATOM 947 CD GLU A 88 14.108 -2.854 8.694 1.00 0.00 C ATOM 948 OE1 GLU A 88 13.660 -3.314 9.772 1.00 0.00 O ATOM 949 OE2 GLU A 88 15.323 -2.952 8.384 1.00 0.00 O ATOM 0 H GLU A 88 11.783 -4.638 4.617 1.00 0.00 H new ATOM 0 HA GLU A 88 14.115 -4.101 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.428 -3.066 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.794 -4.034 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.624 -1.824 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.450 -1.584 8.133 1.00 0.00 H new ATOM 956 N GLY A 89 14.137 -6.620 6.311 1.00 0.00 N ATOM 957 CA GLY A 89 14.372 -8.047 6.588 1.00 0.00 C ATOM 958 C GLY A 89 13.480 -8.999 5.786 1.00 0.00 C ATOM 959 O GLY A 89 13.951 -9.697 4.889 1.00 0.00 O ATOM 0 H GLY A 89 14.911 -6.196 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.415 -8.280 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.215 -8.230 7.651 1.00 0.00 H new ATOM 963 N ARG A 90 12.171 -8.979 6.054 1.00 0.00 N ATOM 964 CA ARG A 90 11.145 -9.847 5.431 1.00 0.00 C ATOM 965 C ARG A 90 9.963 -9.026 4.904 1.00 0.00 C ATOM 966 O ARG A 90 9.498 -9.259 3.785 1.00 0.00 O ATOM 967 CB ARG A 90 10.722 -10.914 6.469 1.00 0.00 C ATOM 968 CG ARG A 90 10.128 -12.221 5.914 1.00 0.00 C ATOM 969 CD ARG A 90 8.675 -12.155 5.410 1.00 0.00 C ATOM 970 NE ARG A 90 8.149 -13.518 5.179 1.00 0.00 N ATOM 971 CZ ARG A 90 6.985 -13.873 4.665 1.00 0.00 C ATOM 972 NH1 ARG A 90 6.095 -12.999 4.278 1.00 0.00 N ATOM 973 NH2 ARG A 90 6.704 -15.139 4.564 1.00 0.00 N ATOM 0 H ARG A 90 11.772 -8.335 6.737 1.00 0.00 H new ATOM 0 HA ARG A 90 11.556 -10.352 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.594 -11.166 7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.989 -10.465 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.759 -12.561 5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.184 -12.980 6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.053 -11.637 6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.629 -11.579 4.486 1.00 0.00 H new ATOM 0 HE ARG A 90 8.765 -14.284 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.287 -12.001 4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.208 -13.314 3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.377 -15.838 4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.810 -15.433 4.170 1.00 0.00 H new ATOM 987 N LYS A 91 9.506 -8.032 5.677 1.00 0.00 N ATOM 988 CA LYS A 91 8.492 -7.066 5.241 1.00 0.00 C ATOM 989 C LYS A 91 9.122 -5.974 4.359 1.00 0.00 C ATOM 990 O LYS A 91 10.339 -5.864 4.215 1.00 0.00 O ATOM 991 CB LYS A 91 7.765 -6.500 6.481 1.00 0.00 C ATOM 992 CG LYS A 91 6.685 -7.463 7.017 1.00 0.00 C ATOM 993 CD LYS A 91 5.992 -6.864 8.253 1.00 0.00 C ATOM 994 CE LYS A 91 4.704 -7.596 8.682 1.00 0.00 C ATOM 995 NZ LYS A 91 4.924 -8.749 9.588 1.00 0.00 N ATOM 0 H LYS A 91 9.833 -7.875 6.630 1.00 0.00 H new ATOM 0 HA LYS A 91 7.746 -7.560 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.493 -6.301 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.303 -5.546 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.947 -7.660 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.139 -8.420 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.694 -6.872 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.751 -5.821 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.044 -6.883 9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.185 -7.946 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.009 -9.183 9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.527 -9.452 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.390 -8.422 10.459 1.00 0.00 H new ATOM 1009 N PHE A 92 8.259 -5.146 3.787 1.00 0.00 N ATOM 1010 CA PHE A 92 8.624 -3.957 3.013 1.00 0.00 C ATOM 1011 C PHE A 92 7.982 -2.735 3.655 1.00 0.00 C ATOM 1012 O PHE A 92 6.886 -2.865 4.205 1.00 0.00 O ATOM 1013 CB PHE A 92 8.148 -4.094 1.566 1.00 0.00 C ATOM 1014 CG PHE A 92 9.158 -4.817 0.727 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.292 -6.209 0.851 1.00 0.00 C ATOM 1016 CD2 PHE A 92 10.020 -4.082 -0.100 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.310 -6.871 0.143 1.00 0.00 C ATOM 1018 CE2 PHE A 92 11.031 -4.740 -0.810 1.00 0.00 C ATOM 1019 CZ PHE A 92 11.178 -6.136 -0.691 1.00 0.00 C ATOM 0 H PHE A 92 7.250 -5.284 3.848 1.00 0.00 H new ATOM 0 HA PHE A 92 9.709 -3.848 3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.200 -4.632 1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.964 -3.105 1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.619 -6.767 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.904 -3.012 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.427 -7.940 0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.697 -4.178 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.957 -6.644 -1.240 1.00 0.00 H new ATOM 1029 N VAL A 93 8.628 -1.580 3.534 1.00 0.00 N ATOM 1030 CA VAL A 93 8.160 -0.274 3.992 1.00 0.00 C ATOM 1031 C VAL A 93 7.791 0.558 2.781 1.00 0.00 C ATOM 1032 O VAL A 93 8.666 1.098 2.105 1.00 0.00 O ATOM 1033 CB VAL A 93 9.195 0.480 4.842 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.534 1.781 5.334 1.00 0.00 C ATOM 1035 CG2 VAL A 93 9.647 -0.404 6.008 1.00 0.00 C ATOM 0 H VAL A 93 9.544 -1.526 3.089 1.00 0.00 H new ATOM 0 HA VAL A 93 7.297 -0.442 4.636 1.00 0.00 H new ATOM 0 HB VAL A 93 10.084 0.725 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.243 2.342 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.235 2.384 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.655 1.539 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.381 0.133 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.787 -0.657 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.096 -1.318 5.619 1.00 0.00 H new ATOM 1045 N TYR A 94 6.488 0.622 2.503 1.00 0.00 N ATOM 1046 CA TYR A 94 5.906 1.493 1.492 1.00 0.00 C ATOM 1047 C TYR A 94 5.786 2.912 2.067 1.00 0.00 C ATOM 1048 O TYR A 94 5.061 3.158 3.038 1.00 0.00 O ATOM 1049 CB TYR A 94 4.555 0.896 1.074 1.00 0.00 C ATOM 1050 CG TYR A 94 4.701 -0.427 0.340 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.757 -1.650 1.048 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.857 -0.416 -1.057 1.00 0.00 C ATOM 1053 CE1 TYR A 94 5.001 -2.856 0.361 1.00 0.00 C ATOM 1054 CE2 TYR A 94 5.125 -1.615 -1.742 1.00 0.00 C ATOM 1055 CZ TYR A 94 5.227 -2.828 -1.032 1.00 0.00 C ATOM 1056 OH TYR A 94 5.554 -3.963 -1.695 1.00 0.00 O ATOM 0 H TYR A 94 5.795 0.054 2.989 1.00 0.00 H new ATOM 0 HA TYR A 94 6.530 1.564 0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.937 0.749 1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.031 1.606 0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.612 -1.660 2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.771 0.512 -1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.015 -3.794 0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 94 5.253 -1.606 -2.814 1.00 0.00 H new ATOM 0 HH TYR A 94 5.673 -3.763 -2.647 1.00 0.00 H new ATOM 1066 N ARG A 95 6.539 3.841 1.473 1.00 0.00 N ATOM 1067 CA ARG A 95 6.632 5.244 1.917 1.00 0.00 C ATOM 1068 C ARG A 95 6.805 6.268 0.771 1.00 0.00 C ATOM 1069 O ARG A 95 7.220 5.889 -0.329 1.00 0.00 O ATOM 1070 CB ARG A 95 7.769 5.320 2.950 1.00 0.00 C ATOM 1071 CG ARG A 95 9.169 5.015 2.406 1.00 0.00 C ATOM 1072 CD ARG A 95 10.190 5.362 3.497 1.00 0.00 C ATOM 1073 NE ARG A 95 11.587 5.207 3.048 1.00 0.00 N ATOM 1074 CZ ARG A 95 12.250 5.991 2.216 1.00 0.00 C ATOM 1075 NH1 ARG A 95 11.668 6.874 1.447 1.00 0.00 N ATOM 1076 NH2 ARG A 95 13.544 5.876 2.148 1.00 0.00 N ATOM 0 H ARG A 95 7.114 3.641 0.654 1.00 0.00 H new ATOM 0 HA ARG A 95 5.681 5.534 2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.776 6.319 3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.551 4.622 3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.249 3.964 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.362 5.597 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.031 6.390 3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.019 4.723 4.363 1.00 0.00 H new ATOM 0 HE ARG A 95 12.097 4.406 3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.654 6.982 1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.228 7.454 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.026 5.191 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.076 6.471 1.513 1.00 0.00 H new ATOM 1090 N PRO A 96 6.523 7.567 1.002 1.00 0.00 N ATOM 1091 CA PRO A 96 6.726 8.617 -0.003 1.00 0.00 C ATOM 1092 C PRO A 96 8.207 8.848 -0.368 1.00 0.00 C ATOM 1093 O PRO A 96 9.125 8.248 0.206 1.00 0.00 O ATOM 1094 CB PRO A 96 6.053 9.875 0.571 1.00 0.00 C ATOM 1095 CG PRO A 96 6.090 9.653 2.080 1.00 0.00 C ATOM 1096 CD PRO A 96 5.913 8.142 2.199 1.00 0.00 C ATOM 0 HA PRO A 96 6.281 8.325 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.589 10.780 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.031 9.983 0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.032 9.986 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.294 10.196 2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.393 7.763 3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.858 7.877 2.264 1.00 0.00 H new ATOM 1104 N LEU A 97 8.405 9.717 -1.365 1.00 0.00 N ATOM 1105 CA LEU A 97 9.701 10.242 -1.818 1.00 0.00 C ATOM 1106 C LEU A 97 10.107 11.486 -0.981 1.00 0.00 C ATOM 1107 O LEU A 97 9.403 11.856 -0.042 1.00 0.00 O ATOM 1108 CB LEU A 97 9.606 10.529 -3.341 1.00 0.00 C ATOM 1109 CG LEU A 97 9.842 9.357 -4.316 1.00 0.00 C ATOM 1110 CD1 LEU A 97 11.255 8.797 -4.171 1.00 0.00 C ATOM 1111 CD2 LEU A 97 8.815 8.241 -4.170 1.00 0.00 C ATOM 0 H LEU A 97 7.627 10.093 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 97 10.494 9.511 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.615 10.936 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.327 11.311 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 97 9.722 9.770 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.393 7.972 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.981 9.581 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.401 8.437 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.036 7.447 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.855 7.840 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.818 8.636 -4.365 1.00 0.00 H new ATOM 1123 N MET A 98 11.258 12.112 -1.288 1.00 0.00 N ATOM 1124 CA MET A 98 11.867 13.162 -0.438 1.00 0.00 C ATOM 1125 C MET A 98 12.424 14.406 -1.171 1.00 0.00 C ATOM 1126 O MET A 98 12.648 15.422 -0.507 1.00 0.00 O ATOM 1127 CB MET A 98 12.955 12.485 0.420 1.00 0.00 C ATOM 1128 CG MET A 98 13.405 13.310 1.632 1.00 0.00 C ATOM 1129 SD MET A 98 14.510 12.401 2.751 1.00 0.00 S ATOM 1130 CE MET A 98 14.667 13.630 4.076 1.00 0.00 C ATOM 0 H MET A 98 11.795 11.907 -2.131 1.00 0.00 H new ATOM 0 HA MET A 98 11.063 13.584 0.165 1.00 0.00 H new ATOM 0 HB2 MET A 98 12.580 11.523 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 98 13.822 12.281 -0.208 1.00 0.00 H new ATOM 0 HG2 MET A 98 13.913 14.209 1.282 1.00 0.00 H new ATOM 0 HG3 MET A 98 12.526 13.636 2.187 1.00 0.00 H new ATOM 0 HE1 MET A 98 15.317 13.240 4.859 1.00 0.00 H new ATOM 0 HE2 MET A 98 15.095 14.548 3.672 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.683 13.842 4.494 1.00 0.00 H new ATOM 1140 N GLU A 99 12.588 14.366 -2.500 1.00 0.00 N ATOM 1141 CA GLU A 99 12.998 15.498 -3.357 1.00 0.00 C ATOM 1142 C GLU A 99 12.219 15.485 -4.682 1.00 0.00 C ATOM 1143 O GLU A 99 12.534 14.660 -5.561 1.00 0.00 O ATOM 1144 CB GLU A 99 14.526 15.498 -3.603 1.00 0.00 C ATOM 1145 CG GLU A 99 15.379 15.550 -2.323 1.00 0.00 C ATOM 1146 CD GLU A 99 16.835 15.977 -2.590 1.00 0.00 C ATOM 1147 OE1 GLU A 99 17.591 15.296 -3.322 1.00 0.00 O ATOM 1148 OE2 GLU A 99 17.253 17.033 -2.057 1.00 0.00 O ATOM 0 H GLU A 99 12.433 13.511 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 99 12.756 16.421 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.791 14.602 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.780 16.353 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 99 14.925 16.246 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.375 14.568 -1.849 1.00 0.00 H new TER 1155 GLU A 99