USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 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 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 77:sc= 0.998 USER MOD Single : A 48 SER OG : rot 180:sc= 0.08 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.25 K(o=-3.3,f=-2.6) USER MOD Single : A 52 SER OG : rot 55:sc= 0.363 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : A 59 HIS : no HD1:sc= -6.25! C(o=-6.2!,f=-9!) USER MOD Single : A 60 ASN : amide:sc= -0.0703 K(o=-0.07,f=-0.65) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -3.72! C(o=-3.7!,f=-5.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 156:sc= -0.0979 (180deg=-0.532) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot -43:sc= 0.101 USER MOD Single : B 83 THR OG1 : rot -42:sc= 1.09 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -13.508 -6.329 9.392 1.00 0.00 N ATOM 2 CA GLY A 16 -13.909 -7.532 8.613 1.00 0.00 C ATOM 3 C GLY A 16 -12.886 -7.914 7.565 1.00 0.00 C ATOM 4 O GLY A 16 -11.905 -8.594 7.864 1.00 0.00 O ATOM 0 HA2 GLY A 16 -14.055 -8.370 9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.867 -7.344 8.129 1.00 0.00 H new ATOM 10 N ARG A 17 -13.116 -7.478 6.332 1.00 0.00 N ATOM 11 CA ARG A 17 -12.207 -7.783 5.238 1.00 0.00 C ATOM 12 C ARG A 17 -11.365 -6.571 4.869 1.00 0.00 C ATOM 13 O ARG A 17 -11.767 -5.739 4.054 1.00 0.00 O ATOM 14 CB ARG A 17 -12.985 -8.282 4.024 1.00 0.00 C ATOM 15 CG ARG A 17 -13.068 -9.795 3.963 1.00 0.00 C ATOM 16 CD ARG A 17 -14.496 -10.270 3.752 1.00 0.00 C ATOM 17 NE ARG A 17 -14.732 -10.707 2.379 1.00 0.00 N ATOM 18 CZ ARG A 17 -15.795 -10.354 1.662 1.00 0.00 C ATOM 19 NH1 ARG A 17 -16.719 -9.562 2.188 1.00 0.00 N ATOM 20 NH2 ARG A 17 -15.935 -10.795 0.419 1.00 0.00 N ATOM 0 H ARG A 17 -13.923 -6.913 6.067 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.532 -8.572 5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.993 -7.868 4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.510 -7.911 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.439 -10.162 3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.676 -10.219 4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.709 -11.092 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.186 -9.463 3.999 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.041 -11.319 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.615 -9.222 3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.534 -9.292 1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.227 -11.406 0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.751 -10.523 -0.130 1.00 0.00 H new ATOM 34 N VAL A 18 -10.192 -6.483 5.481 1.00 0.00 N ATOM 35 CA VAL A 18 -9.274 -5.380 5.233 1.00 0.00 C ATOM 36 C VAL A 18 -8.341 -5.690 4.064 1.00 0.00 C ATOM 37 O VAL A 18 -7.365 -6.425 4.213 1.00 0.00 O ATOM 38 CB VAL A 18 -8.430 -5.060 6.484 1.00 0.00 C ATOM 39 CG1 VAL A 18 -9.216 -4.182 7.447 1.00 0.00 C ATOM 40 CG2 VAL A 18 -7.976 -6.339 7.171 1.00 0.00 C ATOM 0 H VAL A 18 -9.852 -7.167 6.157 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.883 -4.511 4.984 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.542 -4.513 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.605 -3.966 8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.483 -3.248 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.123 -4.702 7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.383 -6.089 8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.848 -6.918 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.372 -6.928 6.481 1.00 0.00 H new ATOM 50 N ARG A 19 -8.650 -5.127 2.898 1.00 0.00 N ATOM 51 CA ARG A 19 -7.839 -5.346 1.703 1.00 0.00 C ATOM 52 C ARG A 19 -7.737 -4.072 0.868 1.00 0.00 C ATOM 53 O ARG A 19 -7.895 -4.102 -0.352 1.00 0.00 O ATOM 54 CB ARG A 19 -8.429 -6.480 0.860 1.00 0.00 C ATOM 55 CG ARG A 19 -9.948 -6.538 0.894 1.00 0.00 C ATOM 56 CD ARG A 19 -10.458 -7.945 0.623 1.00 0.00 C ATOM 57 NE ARG A 19 -10.618 -8.206 -0.805 1.00 0.00 N ATOM 58 CZ ARG A 19 -11.656 -8.853 -1.326 1.00 0.00 C ATOM 59 NH1 ARG A 19 -12.626 -9.301 -0.540 1.00 0.00 N ATOM 60 NH2 ARG A 19 -11.726 -9.052 -2.636 1.00 0.00 N ATOM 0 H ARG A 19 -9.455 -4.517 2.755 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.836 -5.626 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.101 -6.362 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.030 -7.430 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.304 -6.202 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.356 -5.853 0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.764 -8.670 1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.414 -8.087 1.126 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.892 -7.873 -1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.577 -9.149 0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.421 -9.797 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.983 -8.708 -3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.523 -9.549 -3.035 1.00 0.00 H new ATOM 74 N TRP A 20 -7.476 -2.954 1.538 1.00 0.00 N ATOM 75 CA TRP A 20 -7.352 -1.662 0.877 1.00 0.00 C ATOM 76 C TRP A 20 -6.226 -0.858 1.510 1.00 0.00 C ATOM 77 O TRP A 20 -5.854 -1.103 2.653 1.00 0.00 O ATOM 78 CB TRP A 20 -8.671 -0.887 0.967 1.00 0.00 C ATOM 79 CG TRP A 20 -9.792 -1.567 0.250 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.500 -2.651 0.681 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.325 -1.217 -1.031 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.434 -3.006 -0.263 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.347 -2.138 -1.322 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.036 -0.214 -1.961 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.077 -2.086 -2.507 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.763 -0.163 -3.134 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.772 -1.095 -3.399 1.00 0.00 C ATOM 0 H TRP A 20 -7.345 -2.919 2.549 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.119 -1.829 -0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.941 -0.759 2.015 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.531 0.110 0.550 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.349 -3.155 1.624 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.085 -3.787 -0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.258 0.509 -1.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.857 -2.804 -2.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.549 0.609 -3.858 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.321 -1.031 -4.327 1.00 0.00 H new ATOM 98 N ALA A 21 -5.674 0.094 0.772 1.00 0.00 N ATOM 99 CA ALA A 21 -4.604 0.913 1.296 1.00 0.00 C ATOM 100 C ALA A 21 -5.030 2.368 1.318 1.00 0.00 C ATOM 101 O ALA A 21 -5.046 3.035 0.283 1.00 0.00 O ATOM 102 CB ALA A 21 -3.348 0.742 0.456 1.00 0.00 C ATOM 0 H ALA A 21 -5.951 0.313 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.383 0.595 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.551 1.365 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.038 -0.303 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.554 1.041 -0.572 1.00 0.00 H new ATOM 108 N ARG A 22 -5.355 2.871 2.502 1.00 0.00 N ATOM 109 CA ARG A 22 -5.754 4.259 2.632 1.00 0.00 C ATOM 110 C ARG A 22 -4.610 5.047 3.232 1.00 0.00 C ATOM 111 O ARG A 22 -4.276 4.891 4.408 1.00 0.00 O ATOM 112 CB ARG A 22 -7.018 4.397 3.485 1.00 0.00 C ATOM 113 CG ARG A 22 -7.220 5.789 4.064 1.00 0.00 C ATOM 114 CD ARG A 22 -8.102 5.757 5.301 1.00 0.00 C ATOM 115 NE ARG A 22 -8.436 7.098 5.769 1.00 0.00 N ATOM 116 CZ ARG A 22 -9.620 7.432 6.275 1.00 0.00 C ATOM 117 NH1 ARG A 22 -10.584 6.527 6.375 1.00 0.00 N ATOM 118 NH2 ARG A 22 -9.841 8.674 6.681 1.00 0.00 N ATOM 0 H ARG A 22 -5.349 2.343 3.375 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.989 4.655 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.885 4.137 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.974 3.677 4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.252 6.222 4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.671 6.435 3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.019 5.212 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.592 5.212 6.096 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.720 7.821 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.419 5.570 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.490 6.788 6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.103 9.374 6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.749 8.930 7.069 1.00 0.00 H new ATOM 132 N ALA A 23 -4.002 5.875 2.404 1.00 0.00 N ATOM 133 CA ALA A 23 -2.870 6.679 2.824 1.00 0.00 C ATOM 134 C ALA A 23 -3.298 7.920 3.587 1.00 0.00 C ATOM 135 O ALA A 23 -3.980 8.790 3.047 1.00 0.00 O ATOM 136 CB ALA A 23 -2.032 7.070 1.618 1.00 0.00 C ATOM 0 H ALA A 23 -4.275 6.009 1.430 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.273 6.070 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.185 7.673 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.667 6.171 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.642 7.647 0.923 1.00 0.00 H new ATOM 142 N LEU A 24 -2.859 8.006 4.839 1.00 0.00 N ATOM 143 CA LEU A 24 -3.156 9.156 5.680 1.00 0.00 C ATOM 144 C LEU A 24 -2.085 10.211 5.447 1.00 0.00 C ATOM 145 O LEU A 24 -2.296 11.404 5.660 1.00 0.00 O ATOM 146 CB LEU A 24 -3.188 8.747 7.155 1.00 0.00 C ATOM 147 CG LEU A 24 -3.628 7.306 7.418 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.103 6.825 8.761 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.144 7.193 7.366 1.00 0.00 C ATOM 0 H LEU A 24 -2.294 7.288 5.293 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.136 9.558 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.193 8.890 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.860 9.419 7.688 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.209 6.671 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.426 5.798 8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.014 6.868 8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.492 7.464 9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.439 6.161 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.583 7.841 8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.498 7.496 6.381 1.00 0.00 H new ATOM 161 N TYR A 25 -0.937 9.734 4.978 1.00 0.00 N ATOM 162 CA TYR A 25 0.206 10.578 4.664 1.00 0.00 C ATOM 163 C TYR A 25 0.740 10.205 3.286 1.00 0.00 C ATOM 164 O TYR A 25 0.211 9.298 2.641 1.00 0.00 O ATOM 165 CB TYR A 25 1.319 10.431 5.709 1.00 0.00 C ATOM 166 CG TYR A 25 0.908 9.716 6.978 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.108 10.346 7.926 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.333 8.419 7.239 1.00 0.00 C ATOM 169 CE1 TYR A 25 -0.257 9.701 9.092 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.974 7.769 8.403 1.00 0.00 C ATOM 171 CZ TYR A 25 0.178 8.413 9.326 1.00 0.00 C ATOM 172 OH TYR A 25 -0.181 7.769 10.488 1.00 0.00 O ATOM 0 H TYR A 25 -0.774 8.742 4.804 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.122 11.617 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.152 9.892 5.258 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.686 11.424 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.233 11.355 7.748 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.956 7.910 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.880 10.203 9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.315 6.761 8.589 1.00 0.00 H new ATOM 0 HH TYR A 25 0.207 6.869 10.497 1.00 0.00 H new ATOM 182 N ASP A 26 1.775 10.907 2.835 1.00 0.00 N ATOM 183 CA ASP A 26 2.375 10.643 1.527 1.00 0.00 C ATOM 184 C ASP A 26 2.690 9.154 1.339 1.00 0.00 C ATOM 185 O ASP A 26 2.415 8.329 2.209 1.00 0.00 O ATOM 186 CB ASP A 26 3.650 11.469 1.357 1.00 0.00 C ATOM 187 CG ASP A 26 3.592 12.375 0.144 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.409 11.857 -0.977 1.00 0.00 O ATOM 189 OD2 ASP A 26 3.730 13.604 0.315 1.00 0.00 O ATOM 0 H ASP A 26 2.218 11.664 3.355 1.00 0.00 H new ATOM 0 HA ASP A 26 1.650 10.931 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.811 12.072 2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.505 10.799 1.266 1.00 0.00 H new ATOM 194 N PHE A 27 3.254 8.817 0.184 1.00 0.00 N ATOM 195 CA PHE A 27 3.586 7.432 -0.137 1.00 0.00 C ATOM 196 C PHE A 27 5.073 7.134 0.055 1.00 0.00 C ATOM 197 O PHE A 27 5.926 7.994 -0.167 1.00 0.00 O ATOM 198 CB PHE A 27 3.194 7.134 -1.581 1.00 0.00 C ATOM 199 CG PHE A 27 4.084 7.798 -2.591 1.00 0.00 C ATOM 200 CD1 PHE A 27 3.820 9.088 -3.024 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.182 7.133 -3.106 1.00 0.00 C ATOM 202 CE1 PHE A 27 4.638 9.702 -3.953 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.004 7.742 -4.036 1.00 0.00 C ATOM 204 CZ PHE A 27 5.731 9.028 -4.459 1.00 0.00 C ATOM 0 H PHE A 27 3.492 9.486 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 27 3.028 6.795 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.217 6.056 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.166 7.458 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.966 9.619 -2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.400 6.127 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.422 10.708 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.858 7.213 -4.431 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.372 9.506 -5.185 1.00 0.00 H new ATOM 214 N GLU A 28 5.369 5.902 0.467 1.00 0.00 N ATOM 215 CA GLU A 28 6.745 5.469 0.689 1.00 0.00 C ATOM 216 C GLU A 28 7.280 4.684 -0.501 1.00 0.00 C ATOM 217 O GLU A 28 8.338 4.061 -0.412 1.00 0.00 O ATOM 218 CB GLU A 28 6.836 4.592 1.935 1.00 0.00 C ATOM 219 CG GLU A 28 6.254 5.237 3.176 1.00 0.00 C ATOM 220 CD GLU A 28 7.294 5.459 4.257 1.00 0.00 C ATOM 221 OE1 GLU A 28 8.002 6.486 4.197 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.403 4.606 5.162 1.00 0.00 O ATOM 0 H GLU A 28 4.669 5.184 0.654 1.00 0.00 H new ATOM 0 HA GLU A 28 7.347 6.368 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.316 3.653 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.882 4.346 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.804 6.193 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.455 4.607 3.568 1.00 0.00 H new ATOM 229 N ALA A 29 6.554 4.702 -1.611 1.00 0.00 N ATOM 230 CA ALA A 29 6.984 3.973 -2.797 1.00 0.00 C ATOM 231 C ALA A 29 8.220 4.618 -3.408 1.00 0.00 C ATOM 232 O ALA A 29 8.134 5.647 -4.077 1.00 0.00 O ATOM 233 CB ALA A 29 5.863 3.905 -3.818 1.00 0.00 C ATOM 0 H ALA A 29 5.674 5.207 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 29 7.240 2.957 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.204 3.357 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.004 3.394 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.575 4.915 -4.110 1.00 0.00 H new ATOM 239 N LEU A 30 9.374 4.001 -3.173 1.00 0.00 N ATOM 240 CA LEU A 30 10.634 4.510 -3.697 1.00 0.00 C ATOM 241 C LEU A 30 11.174 3.590 -4.785 1.00 0.00 C ATOM 242 O LEU A 30 12.153 3.916 -5.457 1.00 0.00 O ATOM 243 CB LEU A 30 11.667 4.648 -2.573 1.00 0.00 C ATOM 244 CG LEU A 30 11.088 4.950 -1.187 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.168 4.842 -0.121 1.00 0.00 C ATOM 246 CD2 LEU A 30 10.453 6.333 -1.164 1.00 0.00 C ATOM 0 H LEU A 30 9.461 3.147 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 30 10.448 5.493 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.243 3.724 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.365 5.442 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 30 10.316 4.212 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.738 5.060 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.578 3.832 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.963 5.556 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.047 6.530 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.206 7.083 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.650 6.377 -1.900 1.00 0.00 H new ATOM 258 N GLU A 31 10.530 2.439 -4.953 1.00 0.00 N ATOM 259 CA GLU A 31 10.954 1.471 -5.962 1.00 0.00 C ATOM 260 C GLU A 31 10.124 1.599 -7.236 1.00 0.00 C ATOM 261 O GLU A 31 9.055 2.210 -7.235 1.00 0.00 O ATOM 262 CB GLU A 31 10.852 0.049 -5.415 1.00 0.00 C ATOM 263 CG GLU A 31 11.739 -0.198 -4.207 1.00 0.00 C ATOM 264 CD GLU A 31 12.873 -1.160 -4.502 1.00 0.00 C ATOM 265 OE1 GLU A 31 12.636 -2.161 -5.209 1.00 0.00 O ATOM 266 OE2 GLU A 31 14.000 -0.912 -4.023 1.00 0.00 O ATOM 0 H GLU A 31 9.717 2.154 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 31 11.994 1.684 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.816 -0.154 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.119 -0.655 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.152 0.751 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.134 -0.595 -3.392 1.00 0.00 H new ATOM 273 N GLU A 32 10.629 1.018 -8.321 1.00 0.00 N ATOM 274 CA GLU A 32 9.940 1.064 -9.607 1.00 0.00 C ATOM 275 C GLU A 32 8.690 0.190 -9.591 1.00 0.00 C ATOM 276 O GLU A 32 7.622 0.613 -10.035 1.00 0.00 O ATOM 277 CB GLU A 32 10.878 0.619 -10.732 1.00 0.00 C ATOM 278 CG GLU A 32 11.697 -0.617 -10.394 1.00 0.00 C ATOM 279 CD GLU A 32 13.186 -0.337 -10.362 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.709 0.211 -11.356 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.831 -0.664 -9.343 1.00 0.00 O ATOM 0 H GLU A 32 11.513 0.510 -8.335 1.00 0.00 H new ATOM 0 HA GLU A 32 9.635 2.095 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.288 0.419 -11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.556 1.438 -10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.382 -1.003 -9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.493 -1.396 -11.129 1.00 0.00 H new ATOM 288 N ASP A 33 8.827 -1.026 -9.070 1.00 0.00 N ATOM 289 CA ASP A 33 7.703 -1.955 -8.988 1.00 0.00 C ATOM 290 C ASP A 33 6.820 -1.625 -7.790 1.00 0.00 C ATOM 291 O ASP A 33 6.158 -2.502 -7.234 1.00 0.00 O ATOM 292 CB ASP A 33 8.207 -3.395 -8.875 1.00 0.00 C ATOM 293 CG ASP A 33 7.764 -4.256 -10.043 1.00 0.00 C ATOM 294 OD1 ASP A 33 8.385 -4.156 -11.122 1.00 0.00 O ATOM 295 OD2 ASP A 33 6.798 -5.028 -9.878 1.00 0.00 O ATOM 0 H ASP A 33 9.704 -1.391 -8.699 1.00 0.00 H new ATOM 0 HA ASP A 33 7.114 -1.854 -9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.296 -3.393 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.843 -3.833 -7.946 1.00 0.00 H new ATOM 300 N GLU A 34 6.822 -0.357 -7.394 1.00 0.00 N ATOM 301 CA GLU A 34 6.030 0.090 -6.257 1.00 0.00 C ATOM 302 C GLU A 34 4.963 1.090 -6.689 1.00 0.00 C ATOM 303 O GLU A 34 5.062 1.698 -7.755 1.00 0.00 O ATOM 304 CB GLU A 34 6.939 0.724 -5.202 1.00 0.00 C ATOM 305 CG GLU A 34 7.096 -0.122 -3.949 1.00 0.00 C ATOM 306 CD GLU A 34 8.102 -1.244 -4.118 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.284 -1.715 -5.260 1.00 0.00 O ATOM 308 OE2 GLU A 34 8.708 -1.655 -3.106 1.00 0.00 O ATOM 0 H GLU A 34 7.365 0.380 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 34 5.531 -0.780 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.922 0.898 -5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.536 1.698 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.407 0.516 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.129 -0.545 -3.679 1.00 0.00 H new ATOM 315 N LEU A 35 3.950 1.256 -5.848 1.00 0.00 N ATOM 316 CA LEU A 35 2.862 2.186 -6.127 1.00 0.00 C ATOM 317 C LEU A 35 2.839 3.297 -5.086 1.00 0.00 C ATOM 318 O LEU A 35 3.042 3.048 -3.897 1.00 0.00 O ATOM 319 CB LEU A 35 1.522 1.446 -6.140 1.00 0.00 C ATOM 320 CG LEU A 35 0.286 2.335 -5.995 1.00 0.00 C ATOM 321 CD1 LEU A 35 0.026 3.103 -7.281 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.927 1.500 -5.616 1.00 0.00 C ATOM 0 H LEU A 35 3.859 0.757 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 35 3.026 2.630 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.442 0.889 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.521 0.715 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 35 0.471 3.055 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.857 3.730 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.887 3.730 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.139 2.400 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.798 2.148 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.114 0.757 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.740 0.996 -4.668 1.00 0.00 H new ATOM 334 N GLY A 36 2.600 4.522 -5.537 1.00 0.00 N ATOM 335 CA GLY A 36 2.571 5.647 -4.627 1.00 0.00 C ATOM 336 C GLY A 36 1.218 6.325 -4.542 1.00 0.00 C ATOM 337 O GLY A 36 0.602 6.642 -5.560 1.00 0.00 O ATOM 0 H GLY A 36 2.426 4.755 -6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.860 5.307 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.315 6.378 -4.943 1.00 0.00 H new ATOM 341 N PHE A 37 0.766 6.554 -3.314 1.00 0.00 N ATOM 342 CA PHE A 37 -0.511 7.210 -3.063 1.00 0.00 C ATOM 343 C PHE A 37 -0.304 8.521 -2.313 1.00 0.00 C ATOM 344 O PHE A 37 0.826 8.910 -2.024 1.00 0.00 O ATOM 345 CB PHE A 37 -1.427 6.308 -2.236 1.00 0.00 C ATOM 346 CG PHE A 37 -0.700 5.277 -1.422 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.268 5.653 -0.502 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.987 3.931 -1.572 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.934 4.706 0.250 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.324 2.980 -0.822 1.00 0.00 C ATOM 351 CZ PHE A 37 0.637 3.368 0.090 1.00 0.00 C ATOM 0 H PHE A 37 1.272 6.291 -2.468 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.974 7.412 -4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.023 6.929 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.122 5.802 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.503 6.699 -0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.738 3.621 -2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.686 5.012 0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.557 1.933 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.156 2.625 0.678 1.00 0.00 H new ATOM 361 N ARG A 38 -1.403 9.193 -1.991 1.00 0.00 N ATOM 362 CA ARG A 38 -1.334 10.455 -1.262 1.00 0.00 C ATOM 363 C ARG A 38 -2.285 10.456 -0.069 1.00 0.00 C ATOM 364 O ARG A 38 -3.059 9.518 0.120 1.00 0.00 O ATOM 365 CB ARG A 38 -1.650 11.623 -2.193 1.00 0.00 C ATOM 366 CG ARG A 38 -0.718 11.705 -3.387 1.00 0.00 C ATOM 367 CD ARG A 38 -1.438 11.371 -4.681 1.00 0.00 C ATOM 368 NE ARG A 38 -2.571 12.262 -4.922 1.00 0.00 N ATOM 369 CZ ARG A 38 -2.674 13.053 -5.986 1.00 0.00 C ATOM 370 NH1 ARG A 38 -1.720 13.060 -6.907 1.00 0.00 N ATOM 371 NH2 ARG A 38 -3.732 13.839 -6.130 1.00 0.00 N ATOM 0 H ARG A 38 -2.349 8.888 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.318 10.570 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.676 11.529 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.591 12.554 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.297 12.708 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.116 11.018 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.738 11.441 -5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.789 10.340 -4.645 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.325 12.278 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.904 12.457 -6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.802 13.668 -7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.468 13.838 -5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.810 14.445 -6.947 1.00 0.00 H new ATOM 385 N SER A 39 -2.219 11.515 0.733 1.00 0.00 N ATOM 386 CA SER A 39 -3.073 11.644 1.910 1.00 0.00 C ATOM 387 C SER A 39 -4.549 11.554 1.532 1.00 0.00 C ATOM 388 O SER A 39 -4.967 12.066 0.492 1.00 0.00 O ATOM 389 CB SER A 39 -2.798 12.972 2.618 1.00 0.00 C ATOM 390 OG SER A 39 -3.573 13.094 3.797 1.00 0.00 O ATOM 0 H SER A 39 -1.581 12.298 0.589 1.00 0.00 H new ATOM 0 HA SER A 39 -2.842 10.820 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.739 13.042 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.023 13.799 1.945 1.00 0.00 H new ATOM 0 HG SER A 39 -3.181 12.541 4.505 1.00 0.00 H new ATOM 396 N GLY A 40 -5.332 10.902 2.387 1.00 0.00 N ATOM 397 CA GLY A 40 -6.756 10.752 2.139 1.00 0.00 C ATOM 398 C GLY A 40 -7.056 10.082 0.811 1.00 0.00 C ATOM 399 O GLY A 40 -7.898 10.557 0.049 1.00 0.00 O ATOM 0 H GLY A 40 -5.004 10.473 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.200 10.167 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.229 11.734 2.160 1.00 0.00 H new ATOM 403 N GLU A 41 -6.369 8.976 0.532 1.00 0.00 N ATOM 404 CA GLU A 41 -6.578 8.251 -0.719 1.00 0.00 C ATOM 405 C GLU A 41 -6.799 6.763 -0.467 1.00 0.00 C ATOM 406 O GLU A 41 -6.101 6.149 0.337 1.00 0.00 O ATOM 407 CB GLU A 41 -5.386 8.450 -1.656 1.00 0.00 C ATOM 408 CG GLU A 41 -5.156 9.901 -2.050 1.00 0.00 C ATOM 409 CD GLU A 41 -6.205 10.417 -3.015 1.00 0.00 C ATOM 410 OE1 GLU A 41 -6.555 9.682 -3.962 1.00 0.00 O ATOM 411 OE2 GLU A 41 -6.676 11.558 -2.825 1.00 0.00 O ATOM 0 H GLU A 41 -5.669 8.565 1.149 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.475 8.654 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.487 8.067 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.541 7.858 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.156 10.521 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.170 9.998 -2.505 1.00 0.00 H new ATOM 418 N VAL A 42 -7.778 6.191 -1.166 1.00 0.00 N ATOM 419 CA VAL A 42 -8.097 4.774 -1.024 1.00 0.00 C ATOM 420 C VAL A 42 -7.489 3.953 -2.159 1.00 0.00 C ATOM 421 O VAL A 42 -7.509 4.365 -3.318 1.00 0.00 O ATOM 422 CB VAL A 42 -9.622 4.538 -0.998 1.00 0.00 C ATOM 423 CG1 VAL A 42 -9.936 3.131 -0.510 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.315 5.575 -0.126 1.00 0.00 C ATOM 0 H VAL A 42 -8.364 6.689 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.669 4.451 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.001 4.643 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.016 2.983 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.477 2.403 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.541 2.998 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.389 5.389 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.932 5.508 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.121 6.572 -0.522 1.00 0.00 H new ATOM 434 N VAL A 43 -6.952 2.787 -1.811 1.00 0.00 N ATOM 435 CA VAL A 43 -6.336 1.899 -2.792 1.00 0.00 C ATOM 436 C VAL A 43 -6.871 0.477 -2.644 1.00 0.00 C ATOM 437 O VAL A 43 -7.136 0.024 -1.535 1.00 0.00 O ATOM 438 CB VAL A 43 -4.802 1.873 -2.637 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.156 1.103 -3.778 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.248 3.287 -2.559 1.00 0.00 C ATOM 0 H VAL A 43 -6.931 2.434 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.588 2.285 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.562 1.360 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.074 1.098 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.526 0.078 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.405 1.580 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.164 3.248 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.501 3.828 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.681 3.800 -1.700 1.00 0.00 H new ATOM 450 N GLU A 44 -7.025 -0.226 -3.761 1.00 0.00 N ATOM 451 CA GLU A 44 -7.526 -1.596 -3.724 1.00 0.00 C ATOM 452 C GLU A 44 -6.372 -2.587 -3.612 1.00 0.00 C ATOM 453 O GLU A 44 -5.594 -2.756 -4.551 1.00 0.00 O ATOM 454 CB GLU A 44 -8.363 -1.900 -4.968 1.00 0.00 C ATOM 455 CG GLU A 44 -8.890 -3.325 -5.013 1.00 0.00 C ATOM 456 CD GLU A 44 -8.873 -3.910 -6.412 1.00 0.00 C ATOM 457 OE1 GLU A 44 -7.875 -3.697 -7.132 1.00 0.00 O ATOM 458 OE2 GLU A 44 -9.858 -4.581 -6.787 1.00 0.00 O ATOM 0 H GLU A 44 -6.813 0.125 -4.695 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.161 -1.700 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.205 -1.209 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.758 -1.717 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.289 -3.952 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.910 -3.344 -4.628 1.00 0.00 H new ATOM 465 N VAL A 45 -6.267 -3.243 -2.457 1.00 0.00 N ATOM 466 CA VAL A 45 -5.205 -4.217 -2.229 1.00 0.00 C ATOM 467 C VAL A 45 -5.552 -5.556 -2.868 1.00 0.00 C ATOM 468 O VAL A 45 -6.677 -6.042 -2.744 1.00 0.00 O ATOM 469 CB VAL A 45 -4.927 -4.426 -0.727 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.967 -5.586 -0.512 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.376 -3.153 -0.105 1.00 0.00 C ATOM 0 H VAL A 45 -6.902 -3.117 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.304 -3.814 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.869 -4.670 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.785 -5.715 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.402 -6.499 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.024 -5.377 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.186 -3.319 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.446 -2.878 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.101 -2.348 -0.222 1.00 0.00 H new ATOM 481 N LEU A 46 -4.580 -6.144 -3.556 1.00 0.00 N ATOM 482 CA LEU A 46 -4.782 -7.424 -4.223 1.00 0.00 C ATOM 483 C LEU A 46 -3.973 -8.530 -3.554 1.00 0.00 C ATOM 484 O LEU A 46 -4.186 -9.713 -3.820 1.00 0.00 O ATOM 485 CB LEU A 46 -4.396 -7.311 -5.699 1.00 0.00 C ATOM 486 CG LEU A 46 -5.542 -6.944 -6.642 1.00 0.00 C ATOM 487 CD1 LEU A 46 -5.176 -5.730 -7.481 1.00 0.00 C ATOM 488 CD2 LEU A 46 -5.895 -8.125 -7.532 1.00 0.00 C ATOM 0 H LEU A 46 -3.644 -5.754 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.838 -7.684 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.611 -6.561 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.971 -8.262 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.416 -6.692 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.004 -5.484 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.973 -4.883 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.288 -5.951 -8.074 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.713 -7.848 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.025 -8.407 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.201 -8.968 -6.913 1.00 0.00 H new ATOM 500 N ASP A 47 -3.043 -8.143 -2.686 1.00 0.00 N ATOM 501 CA ASP A 47 -2.206 -9.113 -1.987 1.00 0.00 C ATOM 502 C ASP A 47 -1.789 -8.598 -0.611 1.00 0.00 C ATOM 503 O ASP A 47 -0.615 -8.313 -0.371 1.00 0.00 O ATOM 504 CB ASP A 47 -0.967 -9.444 -2.823 1.00 0.00 C ATOM 505 CG ASP A 47 -1.034 -10.830 -3.437 1.00 0.00 C ATOM 506 OD1 ASP A 47 -2.061 -11.516 -3.247 1.00 0.00 O ATOM 507 OD2 ASP A 47 -0.059 -11.229 -4.108 1.00 0.00 O ATOM 0 H ASP A 47 -2.850 -7.169 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.793 -10.020 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.859 -8.704 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.079 -9.371 -2.195 1.00 0.00 H new ATOM 512 N SER A 48 -2.758 -8.495 0.294 1.00 0.00 N ATOM 513 CA SER A 48 -2.499 -8.030 1.654 1.00 0.00 C ATOM 514 C SER A 48 -1.778 -9.088 2.453 1.00 0.00 C ATOM 515 O SER A 48 -1.397 -8.850 3.599 1.00 0.00 O ATOM 516 CB SER A 48 -3.807 -7.643 2.346 1.00 0.00 C ATOM 517 OG SER A 48 -4.896 -8.390 1.833 1.00 0.00 O ATOM 0 H SER A 48 -3.734 -8.728 0.109 1.00 0.00 H new ATOM 0 HA SER A 48 -1.861 -7.148 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.719 -7.813 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.995 -6.578 2.207 1.00 0.00 H new ATOM 0 HG SER A 48 -5.720 -8.125 2.293 1.00 0.00 H new ATOM 523 N SER A 49 -1.557 -10.251 1.853 1.00 0.00 N ATOM 524 CA SER A 49 -0.843 -11.286 2.560 1.00 0.00 C ATOM 525 C SER A 49 0.632 -10.922 2.591 1.00 0.00 C ATOM 526 O SER A 49 1.294 -10.879 1.555 1.00 0.00 O ATOM 527 CB SER A 49 -1.042 -12.643 1.881 1.00 0.00 C ATOM 528 OG SER A 49 -0.551 -13.697 2.690 1.00 0.00 O ATOM 0 H SER A 49 -1.855 -10.490 0.907 1.00 0.00 H new ATOM 0 HA SER A 49 -1.228 -11.364 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.102 -12.800 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.529 -12.650 0.919 1.00 0.00 H new ATOM 0 HG SER A 49 -0.692 -14.553 2.234 1.00 0.00 H new ATOM 534 N ASN A 50 1.111 -10.653 3.798 1.00 0.00 N ATOM 535 CA ASN A 50 2.496 -10.263 4.056 1.00 0.00 C ATOM 536 C ASN A 50 2.571 -9.584 5.421 1.00 0.00 C ATOM 537 O ASN A 50 1.557 -9.104 5.929 1.00 0.00 O ATOM 538 CB ASN A 50 2.992 -9.303 2.982 1.00 0.00 C ATOM 539 CG ASN A 50 3.886 -9.967 1.957 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.807 -10.707 2.299 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.610 -9.700 0.685 1.00 0.00 N ATOM 0 H ASN A 50 0.540 -10.700 4.642 1.00 0.00 H new ATOM 0 HA ASN A 50 3.126 -11.152 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.135 -8.861 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.537 -8.487 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.173 -10.116 -0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.835 -9.079 0.451 1.00 0.00 H new ATOM 548 N PRO A 51 3.754 -9.543 6.052 1.00 0.00 N ATOM 549 CA PRO A 51 3.913 -8.936 7.363 1.00 0.00 C ATOM 550 C PRO A 51 4.326 -7.465 7.320 1.00 0.00 C ATOM 551 O PRO A 51 4.671 -6.890 8.352 1.00 0.00 O ATOM 552 CB PRO A 51 5.022 -9.785 7.971 1.00 0.00 C ATOM 553 CG PRO A 51 5.885 -10.177 6.810 1.00 0.00 C ATOM 554 CD PRO A 51 5.023 -10.107 5.566 1.00 0.00 C ATOM 0 HA PRO A 51 2.977 -8.923 7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.589 -9.223 8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.617 -10.662 8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.740 -9.507 6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.281 -11.183 6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.475 -9.476 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.879 -11.092 5.122 1.00 0.00 H new ATOM 562 N SER A 52 4.290 -6.851 6.137 1.00 0.00 N ATOM 563 CA SER A 52 4.668 -5.443 6.013 1.00 0.00 C ATOM 564 C SER A 52 4.357 -4.879 4.628 1.00 0.00 C ATOM 565 O SER A 52 3.598 -3.920 4.499 1.00 0.00 O ATOM 566 CB SER A 52 6.157 -5.269 6.315 1.00 0.00 C ATOM 567 OG SER A 52 6.354 -4.684 7.591 1.00 0.00 O ATOM 0 H SER A 52 4.008 -7.297 5.264 1.00 0.00 H new ATOM 0 HA SER A 52 4.074 -4.887 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.655 -6.238 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.616 -4.643 5.550 1.00 0.00 H new ATOM 0 HG SER A 52 5.885 -5.213 8.269 1.00 0.00 H new ATOM 573 N TRP A 53 4.965 -5.458 3.599 1.00 0.00 N ATOM 574 CA TRP A 53 4.763 -4.985 2.231 1.00 0.00 C ATOM 575 C TRP A 53 3.712 -5.811 1.495 1.00 0.00 C ATOM 576 O TRP A 53 3.890 -7.010 1.288 1.00 0.00 O ATOM 577 CB TRP A 53 6.080 -5.047 1.456 1.00 0.00 C ATOM 578 CG TRP A 53 6.946 -3.837 1.621 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.921 -3.648 2.557 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.921 -2.652 0.820 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.505 -2.416 2.386 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.908 -1.785 1.326 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.161 -2.239 -0.276 1.00 0.00 C ATOM 584 CZ2 TRP A 53 8.153 -0.532 0.771 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.405 -0.995 -0.824 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.394 -0.154 -0.301 1.00 0.00 C ATOM 0 H TRP A 53 5.599 -6.252 3.683 1.00 0.00 H new ATOM 0 HA TRP A 53 4.410 -3.956 2.291 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.638 -5.926 1.779 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.860 -5.181 0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 53 8.194 -4.362 3.320 1.00 0.00 H new ATOM 0 HE1 TRP A 53 9.260 -2.033 2.955 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.396 -2.881 -0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.916 0.118 1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.822 -0.665 -1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.561 0.812 -0.753 1.00 0.00 H new ATOM 597 N TRP A 54 2.632 -5.157 1.073 1.00 0.00 N ATOM 598 CA TRP A 54 1.576 -5.838 0.327 1.00 0.00 C ATOM 599 C TRP A 54 1.532 -5.336 -1.112 1.00 0.00 C ATOM 600 O TRP A 54 1.793 -4.161 -1.375 1.00 0.00 O ATOM 601 CB TRP A 54 0.196 -5.623 0.959 1.00 0.00 C ATOM 602 CG TRP A 54 0.106 -5.920 2.424 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.927 -6.720 3.153 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.890 -5.432 3.330 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.499 -6.773 4.456 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.611 -5.983 4.593 1.00 0.00 C ATOM 607 CE3 TRP A 54 -1.991 -4.581 3.195 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.391 -5.713 5.713 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.765 -4.312 4.308 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.461 -4.876 5.554 1.00 0.00 C ATOM 0 H TRP A 54 2.465 -4.164 1.233 1.00 0.00 H new ATOM 0 HA TRP A 54 1.811 -6.902 0.351 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.101 -4.587 0.797 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.526 -6.248 0.434 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.791 -7.239 2.764 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.937 -7.314 5.202 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.232 -4.142 2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.160 -6.149 6.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.618 -3.656 4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.084 -4.645 6.406 1.00 0.00 H new ATOM 621 N THR A 55 1.188 -6.223 -2.040 1.00 0.00 N ATOM 622 CA THR A 55 1.095 -5.853 -3.449 1.00 0.00 C ATOM 623 C THR A 55 -0.323 -5.408 -3.798 1.00 0.00 C ATOM 624 O THR A 55 -1.268 -6.193 -3.711 1.00 0.00 O ATOM 625 CB THR A 55 1.496 -7.021 -4.369 1.00 0.00 C ATOM 626 OG1 THR A 55 2.761 -7.556 -3.962 1.00 0.00 O ATOM 627 CG2 THR A 55 1.579 -6.563 -5.819 1.00 0.00 C ATOM 0 H THR A 55 0.970 -7.200 -1.844 1.00 0.00 H new ATOM 0 HA THR A 55 1.788 -5.027 -3.609 1.00 0.00 H new ATOM 0 HB THR A 55 0.732 -7.795 -4.289 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.007 -8.299 -4.552 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.864 -7.404 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.608 -6.183 -6.137 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.325 -5.773 -5.909 1.00 0.00 H new ATOM 635 N GLY A 56 -0.467 -4.145 -4.192 1.00 0.00 N ATOM 636 CA GLY A 56 -1.776 -3.620 -4.546 1.00 0.00 C ATOM 637 C GLY A 56 -1.708 -2.618 -5.682 1.00 0.00 C ATOM 638 O GLY A 56 -0.637 -2.383 -6.240 1.00 0.00 O ATOM 0 H GLY A 56 0.299 -3.476 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.430 -4.444 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.223 -3.145 -3.672 1.00 0.00 H new ATOM 642 N ARG A 57 -2.847 -2.024 -6.029 1.00 0.00 N ATOM 643 CA ARG A 57 -2.885 -1.046 -7.111 1.00 0.00 C ATOM 644 C ARG A 57 -3.935 0.036 -6.862 1.00 0.00 C ATOM 645 O ARG A 57 -5.038 -0.243 -6.391 1.00 0.00 O ATOM 646 CB ARG A 57 -3.149 -1.738 -8.453 1.00 0.00 C ATOM 647 CG ARG A 57 -4.514 -2.397 -8.554 1.00 0.00 C ATOM 648 CD ARG A 57 -4.954 -2.535 -10.003 1.00 0.00 C ATOM 649 NE ARG A 57 -5.311 -3.910 -10.344 1.00 0.00 N ATOM 650 CZ ARG A 57 -5.895 -4.257 -11.487 1.00 0.00 C ATOM 651 NH1 ARG A 57 -6.192 -3.334 -12.391 1.00 0.00 N ATOM 652 NH2 ARG A 57 -6.183 -5.529 -11.729 1.00 0.00 N ATOM 0 H ARG A 57 -3.747 -2.201 -5.582 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.909 -0.562 -7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.052 -1.004 -9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.380 -2.493 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.481 -3.381 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.247 -1.807 -8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.809 -1.884 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.151 -2.197 -10.658 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.101 -4.644 -9.668 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.973 -2.354 -12.211 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.640 -3.603 -13.267 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.956 -6.244 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.631 -5.792 -12.607 1.00 0.00 H new ATOM 666 N LEU A 58 -3.576 1.275 -7.196 1.00 0.00 N ATOM 667 CA LEU A 58 -4.471 2.415 -7.029 1.00 0.00 C ATOM 668 C LEU A 58 -5.131 2.758 -8.357 1.00 0.00 C ATOM 669 O LEU A 58 -4.458 3.183 -9.288 1.00 0.00 O ATOM 670 CB LEU A 58 -3.691 3.629 -6.508 1.00 0.00 C ATOM 671 CG LEU A 58 -4.505 4.644 -5.696 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.587 5.689 -5.082 1.00 0.00 C ATOM 673 CD2 LEU A 58 -5.561 5.314 -6.565 1.00 0.00 C ATOM 0 H LEU A 58 -2.664 1.514 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.241 2.152 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.869 3.271 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.247 4.145 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.013 4.108 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.180 6.402 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.869 5.201 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.053 6.214 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.125 6.029 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.076 5.835 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.239 4.558 -6.961 1.00 0.00 H new ATOM 685 N HIS A 59 -6.448 2.562 -8.421 1.00 0.00 N ATOM 686 CA HIS A 59 -7.251 2.829 -9.620 1.00 0.00 C ATOM 687 C HIS A 59 -6.738 2.063 -10.853 1.00 0.00 C ATOM 688 O HIS A 59 -7.423 1.163 -11.340 1.00 0.00 O ATOM 689 CB HIS A 59 -7.399 4.346 -9.878 1.00 0.00 C ATOM 690 CG HIS A 59 -6.260 5.012 -10.591 1.00 0.00 C ATOM 691 ND1 HIS A 59 -6.052 4.904 -11.949 1.00 0.00 N ATOM 692 CD2 HIS A 59 -5.280 5.824 -10.125 1.00 0.00 C ATOM 693 CE1 HIS A 59 -4.993 5.618 -12.288 1.00 0.00 C ATOM 694 NE2 HIS A 59 -4.507 6.187 -11.201 1.00 0.00 N ATOM 0 H HIS A 59 -6.995 2.210 -7.635 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.252 2.444 -9.428 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.307 4.508 -10.458 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.541 4.844 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.134 6.129 -9.099 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.593 5.719 -13.286 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.690 6.797 -11.166 1.00 0.00 H new ATOM 703 N ASN A 60 -5.552 2.400 -11.361 1.00 0.00 N ATOM 704 CA ASN A 60 -5.009 1.709 -12.527 1.00 0.00 C ATOM 705 C ASN A 60 -3.486 1.600 -12.474 1.00 0.00 C ATOM 706 O ASN A 60 -2.854 1.194 -13.449 1.00 0.00 O ATOM 707 CB ASN A 60 -5.436 2.418 -13.813 1.00 0.00 C ATOM 708 CG ASN A 60 -5.656 1.455 -14.958 1.00 0.00 C ATOM 709 OD1 ASN A 60 -6.231 0.381 -14.782 1.00 0.00 O ATOM 710 ND2 ASN A 60 -5.197 1.837 -16.143 1.00 0.00 N ATOM 0 H ASN A 60 -4.956 3.139 -10.987 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.413 0.697 -12.518 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.355 2.975 -13.629 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.673 3.144 -14.094 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.315 1.231 -16.955 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.726 2.737 -16.242 1.00 0.00 H new ATOM 717 N LYS A 61 -2.900 1.943 -11.332 1.00 0.00 N ATOM 718 CA LYS A 61 -1.456 1.859 -11.161 1.00 0.00 C ATOM 719 C LYS A 61 -1.120 0.720 -10.209 1.00 0.00 C ATOM 720 O LYS A 61 -1.643 0.665 -9.100 1.00 0.00 O ATOM 721 CB LYS A 61 -0.901 3.176 -10.616 1.00 0.00 C ATOM 722 CG LYS A 61 -1.261 4.389 -11.458 1.00 0.00 C ATOM 723 CD LYS A 61 -1.090 5.680 -10.674 1.00 0.00 C ATOM 724 CE LYS A 61 0.319 6.232 -10.811 1.00 0.00 C ATOM 725 NZ LYS A 61 0.323 7.714 -10.946 1.00 0.00 N ATOM 0 H LYS A 61 -3.403 2.282 -10.512 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.998 1.668 -12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.274 3.325 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.184 3.102 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.632 4.416 -12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.292 4.303 -11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.808 6.420 -11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.311 5.500 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.908 5.945 -9.940 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.800 5.787 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.302 8.052 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.217 7.987 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.113 8.140 -10.104 1.00 0.00 H new ATOM 739 N LEU A 62 -0.260 -0.192 -10.647 1.00 0.00 N ATOM 740 CA LEU A 62 0.115 -1.335 -9.822 1.00 0.00 C ATOM 741 C LEU A 62 1.495 -1.153 -9.205 1.00 0.00 C ATOM 742 O LEU A 62 2.400 -0.595 -9.826 1.00 0.00 O ATOM 743 CB LEU A 62 0.083 -2.620 -10.651 1.00 0.00 C ATOM 744 CG LEU A 62 -1.302 -3.044 -11.139 1.00 0.00 C ATOM 745 CD1 LEU A 62 -1.380 -2.970 -12.656 1.00 0.00 C ATOM 746 CD2 LEU A 62 -1.630 -4.448 -10.653 1.00 0.00 C ATOM 0 H LEU A 62 0.189 -0.163 -11.563 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.610 -1.408 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.732 -2.491 -11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.504 -3.429 -10.054 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.039 -2.356 -10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.373 -3.276 -12.985 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.189 -1.947 -12.981 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.634 -3.634 -13.092 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.620 -4.734 -11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.889 -5.149 -11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.617 -4.468 -9.563 1.00 0.00 H new ATOM 758 N GLY A 63 1.645 -1.639 -7.976 1.00 0.00 N ATOM 759 CA GLY A 63 2.913 -1.534 -7.284 1.00 0.00 C ATOM 760 C GLY A 63 2.795 -1.824 -5.799 1.00 0.00 C ATOM 761 O GLY A 63 1.717 -1.702 -5.217 1.00 0.00 O ATOM 0 H GLY A 63 0.907 -2.105 -7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.625 -2.229 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.316 -0.531 -7.423 1.00 0.00 H new ATOM 765 N LEU A 64 3.910 -2.211 -5.189 1.00 0.00 N ATOM 766 CA LEU A 64 3.937 -2.524 -3.763 1.00 0.00 C ATOM 767 C LEU A 64 3.785 -1.255 -2.926 1.00 0.00 C ATOM 768 O LEU A 64 4.118 -0.161 -3.378 1.00 0.00 O ATOM 769 CB LEU A 64 5.244 -3.238 -3.405 1.00 0.00 C ATOM 770 CG LEU A 64 5.878 -4.048 -4.538 1.00 0.00 C ATOM 771 CD1 LEU A 64 7.269 -4.518 -4.142 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.998 -5.235 -4.902 1.00 0.00 C ATOM 0 H LEU A 64 4.809 -2.316 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 64 3.099 -3.184 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.964 -2.494 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.056 -3.906 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 64 5.968 -3.405 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.705 -5.092 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.898 -3.654 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.202 -5.145 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.464 -5.800 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.878 -5.879 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.021 -4.877 -5.227 1.00 0.00 H new ATOM 784 N PHE A 65 3.276 -1.404 -1.706 1.00 0.00 N ATOM 785 CA PHE A 65 3.083 -0.261 -0.818 1.00 0.00 C ATOM 786 C PHE A 65 3.363 -0.638 0.639 1.00 0.00 C ATOM 787 O PHE A 65 3.361 -1.818 0.994 1.00 0.00 O ATOM 788 CB PHE A 65 1.656 0.291 -0.962 1.00 0.00 C ATOM 789 CG PHE A 65 0.650 -0.361 -0.055 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.493 0.091 1.244 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.131 -1.417 -0.493 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.418 -0.496 2.091 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.048 -2.012 0.351 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.193 -1.551 1.647 1.00 0.00 C ATOM 0 H PHE A 65 2.991 -2.300 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 65 3.793 0.514 -1.107 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.670 1.362 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.332 0.166 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.094 0.916 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.022 -1.779 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.528 -0.133 3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.651 -2.836 -0.000 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.909 -2.014 2.310 1.00 0.00 H new ATOM 804 N PRO A 66 3.605 0.366 1.508 1.00 0.00 N ATOM 805 CA PRO A 66 3.882 0.137 2.929 1.00 0.00 C ATOM 806 C PRO A 66 2.608 -0.028 3.756 1.00 0.00 C ATOM 807 O PRO A 66 1.898 0.945 4.016 1.00 0.00 O ATOM 808 CB PRO A 66 4.600 1.420 3.330 1.00 0.00 C ATOM 809 CG PRO A 66 3.942 2.465 2.500 1.00 0.00 C ATOM 810 CD PRO A 66 3.630 1.811 1.180 1.00 0.00 C ATOM 0 HA PRO A 66 4.449 -0.778 3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.489 1.625 4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.669 1.361 3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.033 2.829 2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.597 3.325 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.674 2.149 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.387 2.039 0.430 1.00 0.00 H new ATOM 818 N ALA A 67 2.323 -1.256 4.174 1.00 0.00 N ATOM 819 CA ALA A 67 1.136 -1.524 4.978 1.00 0.00 C ATOM 820 C ALA A 67 1.264 -0.889 6.356 1.00 0.00 C ATOM 821 O ALA A 67 0.288 -0.784 7.099 1.00 0.00 O ATOM 822 CB ALA A 67 0.904 -3.020 5.105 1.00 0.00 C ATOM 0 H ALA A 67 2.893 -2.077 3.971 1.00 0.00 H new ATOM 0 HA ALA A 67 0.277 -1.081 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.014 -3.200 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.764 -3.452 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.767 -3.483 5.584 1.00 0.00 H new ATOM 828 N ASN A 68 2.479 -0.464 6.688 1.00 0.00 N ATOM 829 CA ASN A 68 2.747 0.166 7.975 1.00 0.00 C ATOM 830 C ASN A 68 2.485 1.668 7.905 1.00 0.00 C ATOM 831 O ASN A 68 2.227 2.310 8.923 1.00 0.00 O ATOM 832 CB ASN A 68 4.195 -0.115 8.404 1.00 0.00 C ATOM 833 CG ASN A 68 4.997 1.141 8.685 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.359 1.415 9.829 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.287 1.911 7.640 1.00 0.00 N ATOM 0 H ASN A 68 3.295 -0.545 6.082 1.00 0.00 H new ATOM 0 HA ASN A 68 2.073 -0.257 8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.186 -0.739 9.298 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.693 -0.687 7.621 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.829 2.765 7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.967 1.647 6.708 1.00 0.00 H new ATOM 842 N TYR A 69 2.549 2.220 6.696 1.00 0.00 N ATOM 843 CA TYR A 69 2.316 3.646 6.494 1.00 0.00 C ATOM 844 C TYR A 69 0.827 3.943 6.364 1.00 0.00 C ATOM 845 O TYR A 69 0.332 4.922 6.922 1.00 0.00 O ATOM 846 CB TYR A 69 3.056 4.139 5.251 1.00 0.00 C ATOM 847 CG TYR A 69 3.701 5.493 5.433 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.727 5.673 6.350 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.285 6.591 4.690 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.321 6.908 6.525 1.00 0.00 C ATOM 851 CE2 TYR A 69 3.875 7.829 4.858 1.00 0.00 C ATOM 852 CZ TYR A 69 4.892 7.983 5.777 1.00 0.00 C ATOM 853 OH TYR A 69 5.480 9.215 5.948 1.00 0.00 O ATOM 0 H TYR A 69 2.760 1.702 5.843 1.00 0.00 H new ATOM 0 HA TYR A 69 2.699 4.174 7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.823 3.413 4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.357 4.187 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.067 4.833 6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.488 6.475 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.117 7.030 7.244 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.541 8.673 4.272 1.00 0.00 H new ATOM 0 HH TYR A 69 5.062 9.864 5.344 1.00 0.00 H new ATOM 863 N VAL A 70 0.118 3.100 5.618 1.00 0.00 N ATOM 864 CA VAL A 70 -1.315 3.293 5.416 1.00 0.00 C ATOM 865 C VAL A 70 -2.114 2.068 5.869 1.00 0.00 C ATOM 866 O VAL A 70 -1.599 0.950 5.884 1.00 0.00 O ATOM 867 CB VAL A 70 -1.629 3.604 3.937 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.482 4.376 3.304 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.912 2.331 3.152 1.00 0.00 C ATOM 0 H VAL A 70 0.508 2.284 5.147 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.614 4.145 6.027 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.527 4.221 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.718 4.588 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.334 5.313 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.430 3.781 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.129 2.584 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.040 1.678 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.769 1.818 3.588 1.00 0.00 H new ATOM 879 N ALA A 71 -3.372 2.295 6.251 1.00 0.00 N ATOM 880 CA ALA A 71 -4.239 1.215 6.720 1.00 0.00 C ATOM 881 C ALA A 71 -5.477 1.060 5.835 1.00 0.00 C ATOM 882 O ALA A 71 -5.920 2.021 5.206 1.00 0.00 O ATOM 883 CB ALA A 71 -4.650 1.465 8.163 1.00 0.00 C ATOM 0 H ALA A 71 -3.812 3.215 6.245 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.674 0.285 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.296 0.655 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.761 1.509 8.792 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.188 2.410 8.229 1.00 0.00 H new ATOM 889 N PRO A 72 -6.046 -0.162 5.764 1.00 0.00 N ATOM 890 CA PRO A 72 -7.228 -0.446 4.940 1.00 0.00 C ATOM 891 C PRO A 72 -8.431 0.421 5.269 1.00 0.00 C ATOM 892 O PRO A 72 -8.375 1.298 6.131 1.00 0.00 O ATOM 893 CB PRO A 72 -7.536 -1.913 5.235 1.00 0.00 C ATOM 894 CG PRO A 72 -6.243 -2.479 5.694 1.00 0.00 C ATOM 895 CD PRO A 72 -5.574 -1.373 6.463 1.00 0.00 C ATOM 0 HA PRO A 72 -7.024 -0.234 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.306 -2.011 6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.902 -2.428 4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.399 -3.356 6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.631 -2.796 4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.867 -1.375 7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.488 -1.460 6.435 1.00 0.00 H new ATOM 903 N MET A 73 -9.517 0.168 4.549 1.00 0.00 N ATOM 904 CA MET A 73 -10.748 0.917 4.720 1.00 0.00 C ATOM 905 C MET A 73 -11.961 0.039 4.428 1.00 0.00 C ATOM 906 O MET A 73 -12.315 -0.179 3.269 1.00 0.00 O ATOM 907 CB MET A 73 -10.737 2.117 3.780 1.00 0.00 C ATOM 908 CG MET A 73 -11.598 3.276 4.256 1.00 0.00 C ATOM 909 SD MET A 73 -12.237 4.273 2.897 1.00 0.00 S ATOM 910 CE MET A 73 -13.407 3.136 2.161 1.00 0.00 C ATOM 0 H MET A 73 -9.566 -0.559 3.835 1.00 0.00 H new ATOM 0 HA MET A 73 -10.815 1.257 5.753 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.711 2.464 3.661 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.083 1.800 2.796 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.433 2.887 4.840 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.011 3.910 4.921 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.165 3.697 1.615 1.00 0.00 H new ATOM 0 HE2 MET A 73 -12.884 2.470 1.475 1.00 0.00 H new ATOM 0 HE3 MET A 73 -13.885 2.548 2.944 1.00 0.00 H new ATOM 920 N MET A 74 -12.596 -0.459 5.484 1.00 0.00 N ATOM 921 CA MET A 74 -13.770 -1.311 5.333 1.00 0.00 C ATOM 922 C MET A 74 -14.972 -0.494 4.868 1.00 0.00 C ATOM 923 O MET A 74 -15.549 0.276 5.636 1.00 0.00 O ATOM 924 CB MET A 74 -14.085 -2.019 6.655 1.00 0.00 C ATOM 925 CG MET A 74 -15.455 -2.680 6.687 1.00 0.00 C ATOM 926 SD MET A 74 -16.431 -2.181 8.119 1.00 0.00 S ATOM 927 CE MET A 74 -17.375 -3.674 8.419 1.00 0.00 C ATOM 0 H MET A 74 -12.319 -0.288 6.451 1.00 0.00 H new ATOM 0 HA MET A 74 -13.554 -2.064 4.575 1.00 0.00 H new ATOM 0 HB2 MET A 74 -13.323 -2.775 6.842 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.022 -1.295 7.468 1.00 0.00 H new ATOM 0 HG2 MET A 74 -15.998 -2.428 5.776 1.00 0.00 H new ATOM 0 HG3 MET A 74 -15.332 -3.763 6.695 1.00 0.00 H new ATOM 0 HE1 MET A 74 -18.029 -3.524 9.278 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.977 -3.907 7.540 1.00 0.00 H new ATOM 0 HE3 MET A 74 -16.694 -4.501 8.622 1.00 0.00 H new ATOM 937 N ARG A 75 -15.342 -0.669 3.603 1.00 0.00 N ATOM 938 CA ARG A 75 -16.473 0.049 3.029 1.00 0.00 C ATOM 939 C ARG A 75 -17.773 -0.335 3.727 1.00 0.00 C ATOM 940 O ARG A 75 -18.548 0.579 4.080 1.00 0.00 O ATOM 941 CB ARG A 75 -16.582 -0.242 1.532 1.00 0.00 C ATOM 942 CG ARG A 75 -15.407 0.279 0.722 1.00 0.00 C ATOM 943 CD ARG A 75 -15.484 -0.177 -0.725 1.00 0.00 C ATOM 944 NE ARG A 75 -16.414 0.634 -1.506 1.00 0.00 N ATOM 945 CZ ARG A 75 -16.033 1.487 -2.451 1.00 0.00 C ATOM 946 NH1 ARG A 75 -14.745 1.639 -2.730 1.00 0.00 N ATOM 947 NH2 ARG A 75 -16.939 2.188 -3.119 1.00 0.00 N ATOM 948 OXT ARG A 75 -18.006 -1.548 3.915 1.00 0.00 O ATOM 0 H ARG A 75 -14.874 -1.303 2.956 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.304 1.116 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.664 -1.319 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -17.501 0.203 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.391 1.368 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.474 -0.070 1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.492 -0.125 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.796 -1.221 -0.760 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.412 0.540 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.045 1.101 -2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.454 2.294 -3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.930 2.073 -2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.645 2.842 -3.844 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 6.600 8.712 12.464 1.00 0.00 N ATOM 964 CA ALA B 76 6.451 8.344 11.033 1.00 0.00 C ATOM 965 C ALA B 76 6.733 6.861 10.815 1.00 0.00 C ATOM 966 O ALA B 76 7.885 6.429 10.858 1.00 0.00 O ATOM 967 CB ALA B 76 7.377 9.190 10.172 1.00 0.00 C ATOM 0 HA ALA B 76 5.420 8.538 10.739 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.258 8.910 9.125 1.00 0.00 H new ATOM 0 HB2 ALA B 76 7.128 10.244 10.296 1.00 0.00 H new ATOM 0 HB3 ALA B 76 8.410 9.023 10.477 1.00 0.00 H new ATOM 975 N PRO B 77 5.678 6.058 10.574 1.00 0.00 N ATOM 976 CA PRO B 77 5.817 4.618 10.346 1.00 0.00 C ATOM 977 C PRO B 77 6.902 4.301 9.324 1.00 0.00 C ATOM 978 O PRO B 77 6.714 4.491 8.124 1.00 0.00 O ATOM 979 CB PRO B 77 4.443 4.214 9.812 1.00 0.00 C ATOM 980 CG PRO B 77 3.504 5.200 10.410 1.00 0.00 C ATOM 981 CD PRO B 77 4.268 6.493 10.504 1.00 0.00 C ATOM 0 HA PRO B 77 6.112 4.084 11.249 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.415 4.250 8.723 1.00 0.00 H new ATOM 0 HB3 PRO B 77 4.188 3.195 10.104 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.614 5.316 9.792 1.00 0.00 H new ATOM 0 HG3 PRO B 77 3.168 4.872 11.394 1.00 0.00 H new ATOM 0 HD2 PRO B 77 4.087 7.130 9.638 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.981 7.065 11.386 1.00 0.00 H new ATOM 989 N SER B 78 8.042 3.826 9.807 1.00 0.00 N ATOM 990 CA SER B 78 9.157 3.494 8.932 1.00 0.00 C ATOM 991 C SER B 78 9.052 2.061 8.434 1.00 0.00 C ATOM 992 O SER B 78 9.053 1.113 9.220 1.00 0.00 O ATOM 993 CB SER B 78 10.481 3.706 9.661 1.00 0.00 C ATOM 994 OG SER B 78 11.579 3.587 8.773 1.00 0.00 O ATOM 0 H SER B 78 8.218 3.662 10.798 1.00 0.00 H new ATOM 0 HA SER B 78 9.120 4.156 8.067 1.00 0.00 H new ATOM 0 HB2 SER B 78 10.490 4.692 10.125 1.00 0.00 H new ATOM 0 HB3 SER B 78 10.578 2.975 10.464 1.00 0.00 H new ATOM 0 HG SER B 78 12.415 3.729 9.265 1.00 0.00 H new ATOM 1000 N ILE B 79 8.956 1.917 7.118 1.00 0.00 N ATOM 1001 CA ILE B 79 8.844 0.609 6.497 1.00 0.00 C ATOM 1002 C ILE B 79 10.154 0.204 5.822 1.00 0.00 C ATOM 1003 O ILE B 79 10.799 1.013 5.152 1.00 0.00 O ATOM 1004 CB ILE B 79 7.681 0.587 5.474 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.576 -0.357 5.960 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.163 0.195 4.081 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.834 -1.821 5.668 1.00 0.00 C ATOM 0 H ILE B 79 8.954 2.696 6.460 1.00 0.00 H new ATOM 0 HA ILE B 79 8.630 -0.115 7.283 1.00 0.00 H new ATOM 0 HB ILE B 79 7.275 1.596 5.399 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.452 -0.229 7.035 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.635 -0.066 5.494 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.319 0.191 3.392 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.908 0.913 3.738 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.608 -0.800 4.116 1.00 0.00 H new ATOM 0 HD11 ILE B 79 6.004 -2.419 6.045 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.927 -1.966 4.592 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.757 -2.132 6.157 1.00 0.00 H new ATOM 1019 N ASP B 80 10.538 -1.054 6.008 1.00 0.00 N ATOM 1020 CA ASP B 80 11.767 -1.579 5.420 1.00 0.00 C ATOM 1021 C ASP B 80 11.467 -2.344 4.133 1.00 0.00 C ATOM 1022 O ASP B 80 10.571 -3.187 4.099 1.00 0.00 O ATOM 1023 CB ASP B 80 12.482 -2.495 6.415 1.00 0.00 C ATOM 1024 CG ASP B 80 13.991 -2.432 6.283 1.00 0.00 C ATOM 1025 OD1 ASP B 80 14.502 -2.708 5.176 1.00 0.00 O ATOM 1026 OD2 ASP B 80 14.662 -2.109 7.284 1.00 0.00 O ATOM 0 H ASP B 80 10.015 -1.732 6.563 1.00 0.00 H new ATOM 0 HA ASP B 80 12.416 -0.737 5.181 1.00 0.00 H new ATOM 0 HB2 ASP B 80 12.198 -2.216 7.430 1.00 0.00 H new ATOM 0 HB3 ASP B 80 12.150 -3.522 6.262 1.00 0.00 H new ATOM 1031 N ARG B 81 12.218 -2.042 3.079 1.00 0.00 N ATOM 1032 CA ARG B 81 12.027 -2.701 1.790 1.00 0.00 C ATOM 1033 C ARG B 81 12.639 -4.099 1.792 1.00 0.00 C ATOM 1034 O ARG B 81 12.497 -4.849 0.826 1.00 0.00 O ATOM 1035 CB ARG B 81 12.642 -1.867 0.661 1.00 0.00 C ATOM 1036 CG ARG B 81 12.654 -0.371 0.939 1.00 0.00 C ATOM 1037 CD ARG B 81 12.065 0.421 -0.218 1.00 0.00 C ATOM 1038 NE ARG B 81 10.764 0.994 0.116 1.00 0.00 N ATOM 1039 CZ ARG B 81 10.572 1.884 1.088 1.00 0.00 C ATOM 1040 NH1 ARG B 81 11.596 2.324 1.808 1.00 0.00 N ATOM 1041 NH2 ARG B 81 9.352 2.339 1.338 1.00 0.00 N ATOM 0 H ARG B 81 12.964 -1.346 3.091 1.00 0.00 H new ATOM 0 HA ARG B 81 10.954 -2.792 1.621 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.664 -2.203 0.489 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.087 -2.052 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG B 81 12.087 -0.165 1.847 1.00 0.00 H new ATOM 0 HG3 ARG B 81 13.677 -0.043 1.121 1.00 0.00 H new ATOM 0 HD2 ARG B 81 12.752 1.220 -0.497 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.962 -0.229 -1.087 1.00 0.00 H new ATOM 0 HE ARG B 81 9.954 0.695 -0.427 1.00 0.00 H new ATOM 0 HH11 ARG B 81 12.538 1.981 1.619 1.00 0.00 H new ATOM 0 HH12 ARG B 81 11.442 3.006 2.551 1.00 0.00 H new ATOM 0 HH21 ARG B 81 8.561 2.007 0.786 1.00 0.00 H new ATOM 0 HH22 ARG B 81 9.204 3.021 2.082 1.00 0.00 H new ATOM 1055 N SER B 82 13.326 -4.439 2.876 1.00 0.00 N ATOM 1056 CA SER B 82 13.968 -5.743 2.999 1.00 0.00 C ATOM 1057 C SER B 82 12.956 -6.833 3.350 1.00 0.00 C ATOM 1058 O SER B 82 13.328 -7.988 3.564 1.00 0.00 O ATOM 1059 CB SER B 82 15.072 -5.693 4.057 1.00 0.00 C ATOM 1060 OG SER B 82 15.999 -6.751 3.880 1.00 0.00 O ATOM 0 H SER B 82 13.453 -3.829 3.684 1.00 0.00 H new ATOM 0 HA SER B 82 14.408 -5.989 2.033 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.592 -4.737 3.999 1.00 0.00 H new ATOM 0 HB3 SER B 82 14.630 -5.756 5.051 1.00 0.00 H new ATOM 0 HG SER B 82 15.515 -7.582 3.691 1.00 0.00 H new ATOM 1066 N THR B 83 11.681 -6.462 3.412 1.00 0.00 N ATOM 1067 CA THR B 83 10.626 -7.416 3.741 1.00 0.00 C ATOM 1068 C THR B 83 9.508 -7.397 2.698 1.00 0.00 C ATOM 1069 O THR B 83 8.361 -7.735 2.993 1.00 0.00 O ATOM 1070 CB THR B 83 10.033 -7.137 5.137 1.00 0.00 C ATOM 1071 OG1 THR B 83 9.072 -8.144 5.476 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.377 -5.767 5.185 1.00 0.00 C ATOM 0 H THR B 83 11.353 -5.512 3.240 1.00 0.00 H new ATOM 0 HA THR B 83 11.085 -8.405 3.744 1.00 0.00 H new ATOM 0 HB THR B 83 10.848 -7.157 5.860 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.513 -8.338 4.695 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.967 -5.595 6.180 1.00 0.00 H new ATOM 0 HG22 THR B 83 10.119 -5.000 4.961 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.574 -5.722 4.449 1.00 0.00 H new ATOM 1080 N LYS B 84 9.856 -7.005 1.475 1.00 0.00 N ATOM 1081 CA LYS B 84 8.890 -6.944 0.382 1.00 0.00 C ATOM 1082 C LYS B 84 8.285 -8.323 0.113 1.00 0.00 C ATOM 1083 O LYS B 84 8.828 -9.337 0.552 1.00 0.00 O ATOM 1084 CB LYS B 84 9.566 -6.409 -0.883 1.00 0.00 C ATOM 1085 CG LYS B 84 9.374 -4.915 -1.085 1.00 0.00 C ATOM 1086 CD LYS B 84 10.655 -4.244 -1.556 1.00 0.00 C ATOM 1087 CE LYS B 84 10.754 -4.234 -3.074 1.00 0.00 C ATOM 1088 NZ LYS B 84 11.685 -5.281 -3.578 1.00 0.00 N ATOM 0 H LYS B 84 10.802 -6.724 1.216 1.00 0.00 H new ATOM 0 HA LYS B 84 8.085 -6.268 0.670 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.633 -6.627 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.170 -6.939 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.584 -4.745 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS B 84 9.047 -4.460 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.690 -3.221 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.515 -4.766 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS B 84 9.764 -4.391 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS B 84 11.094 -3.254 -3.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 11.724 -5.240 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.636 -5.117 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 11.347 -6.218 -3.281 1.00 0.00 H new ATOM 1102 N PRO B 85 7.146 -8.384 -0.611 1.00 0.00 N ATOM 1103 CA PRO B 85 6.479 -9.652 -0.925 1.00 0.00 C ATOM 1104 C PRO B 85 7.445 -10.696 -1.472 1.00 0.00 C ATOM 1105 O PRO B 85 7.830 -10.651 -2.640 1.00 0.00 O ATOM 1106 CB PRO B 85 5.459 -9.262 -1.993 1.00 0.00 C ATOM 1107 CG PRO B 85 5.152 -7.831 -1.716 1.00 0.00 C ATOM 1108 CD PRO B 85 6.420 -7.227 -1.176 1.00 0.00 C ATOM 0 HA PRO B 85 6.037 -10.108 -0.039 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.866 -9.393 -2.996 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.563 -9.879 -1.929 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.832 -7.319 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.339 -7.740 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.996 -6.737 -1.961 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.213 -6.474 -0.416 1.00 0.00 H new ATOM 1116 N ALA B 86 7.835 -11.635 -0.617 1.00 0.00 N ATOM 1117 CA ALA B 86 8.758 -12.691 -1.012 1.00 0.00 C ATOM 1118 C ALA B 86 8.541 -13.949 -0.177 1.00 0.00 C ATOM 1119 O ALA B 86 8.570 -13.844 1.067 1.00 0.00 O ATOM 1120 CB ALA B 86 10.195 -12.209 -0.881 1.00 0.00 C ATOM 1121 OXT ALA B 86 8.342 -15.028 -0.775 1.00 0.00 O ATOM 0 H ALA B 86 7.526 -11.686 0.354 1.00 0.00 H new ATOM 0 HA ALA B 86 8.563 -12.941 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.875 -13.007 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.348 -11.343 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA B 86 10.393 -11.932 0.154 1.00 0.00 H new TER 1127 ALA B 86