USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 SER OG : rot 141:sc= 0.0448 USER MOD Set 1.2: A 65 GLN : amide:sc= 0.0448 X(o=0.09,f=-1.6e-05) USER MOD Set 2.1: A 30 CYS SG : rot 124:sc= 0.361! USER MOD Set 2.2: A 79 CYS SG : rot -163:sc= -0.796 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 44:sc= 0.0273 USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0614) USER MOD Single : A 17 ASN :FLIP amide:sc= -1.69! C(o=-2.2!,f=-1.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 11:sc= 0.749! USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= -0.021 (180deg=-0.201) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0572 (180deg=-0.376) USER MOD Single : A 44 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0091) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.681 X(o=-0.68,f=-0.54) USER MOD Single : A 57 GLN : amide:sc= -1.61! C(o=-1.6!,f=-4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 110:sc= -2.25! USER MOD Single : A 77 TYR OH : rot 139:sc= -1.96! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 114:sc= 0.757 USER MOD Single : A 83 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.7) USER MOD Single : A 86 THR OG1 : rot 140:sc= -0.249 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 22:sc= 0.247 USER MOD Single : A 105 SER OG : rot 44:sc= 0.388 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.092 42.148 -6.723 1.00 0.00 N ATOM 2 CA GLY A 1 -1.462 42.341 -5.429 1.00 0.00 C ATOM 3 C GLY A 1 -0.631 41.146 -5.005 1.00 0.00 C ATOM 4 O GLY A 1 0.585 41.129 -5.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.648 42.992 -6.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.360 41.994 -7.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.719 41.319 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.827 43.226 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.230 42.530 -4.679 1.00 0.00 H new ATOM 8 N SER A 2 -1.288 40.145 -4.428 1.00 0.00 N ATOM 9 CA SER A 2 -0.601 38.943 -3.970 1.00 0.00 C ATOM 10 C SER A 2 -0.982 37.740 -4.827 1.00 0.00 C ATOM 11 O SER A 2 -2.117 37.630 -5.292 1.00 0.00 O ATOM 12 CB SER A 2 -0.936 38.666 -2.504 1.00 0.00 C ATOM 13 OG SER A 2 -0.142 39.461 -1.640 1.00 0.00 O ATOM 0 H SER A 2 -2.295 40.143 -4.267 1.00 0.00 H new ATOM 0 HA SER A 2 0.472 39.109 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.991 38.871 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.774 37.611 -2.284 1.00 0.00 H new ATOM 0 HG SER A 2 -0.377 39.266 -0.709 1.00 0.00 H new ATOM 19 N SER A 3 -0.026 36.840 -5.031 1.00 0.00 N ATOM 20 CA SER A 3 -0.259 35.646 -5.835 1.00 0.00 C ATOM 21 C SER A 3 -1.004 34.585 -5.029 1.00 0.00 C ATOM 22 O SER A 3 -2.081 34.135 -5.419 1.00 0.00 O ATOM 23 CB SER A 3 1.068 35.079 -6.342 1.00 0.00 C ATOM 24 OG SER A 3 1.668 35.949 -7.286 1.00 0.00 O ATOM 0 H SER A 3 0.917 36.915 -4.651 1.00 0.00 H new ATOM 0 HA SER A 3 -0.875 35.928 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.746 34.926 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.899 34.103 -6.798 1.00 0.00 H new ATOM 0 HG SER A 3 2.515 35.564 -7.593 1.00 0.00 H new ATOM 30 N GLY A 4 -0.421 34.190 -3.902 1.00 0.00 N ATOM 31 CA GLY A 4 -1.042 33.186 -3.058 1.00 0.00 C ATOM 32 C GLY A 4 -0.294 32.980 -1.756 1.00 0.00 C ATOM 33 O GLY A 4 0.841 32.503 -1.752 1.00 0.00 O ATOM 0 H GLY A 4 0.470 34.547 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.068 33.483 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.091 32.241 -3.599 1.00 0.00 H new ATOM 37 N SER A 5 -0.930 33.341 -0.646 1.00 0.00 N ATOM 38 CA SER A 5 -0.316 33.198 0.669 1.00 0.00 C ATOM 39 C SER A 5 -0.051 31.730 0.988 1.00 0.00 C ATOM 40 O SER A 5 1.052 31.360 1.391 1.00 0.00 O ATOM 41 CB SER A 5 -1.214 33.812 1.744 1.00 0.00 C ATOM 42 OG SER A 5 -0.985 35.205 1.866 1.00 0.00 O ATOM 0 H SER A 5 -1.871 33.735 -0.631 1.00 0.00 H new ATOM 0 HA SER A 5 0.637 33.727 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.260 33.633 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.027 33.324 2.701 1.00 0.00 H new ATOM 0 HG SER A 5 -1.572 35.574 2.558 1.00 0.00 H new ATOM 48 N SER A 6 -1.071 30.898 0.805 1.00 0.00 N ATOM 49 CA SER A 6 -0.951 29.470 1.077 1.00 0.00 C ATOM 50 C SER A 6 -1.410 28.648 -0.124 1.00 0.00 C ATOM 51 O SER A 6 -2.000 29.178 -1.064 1.00 0.00 O ATOM 52 CB SER A 6 -1.773 29.094 2.311 1.00 0.00 C ATOM 53 OG SER A 6 -3.102 29.575 2.205 1.00 0.00 O ATOM 0 H SER A 6 -1.990 31.188 0.470 1.00 0.00 H new ATOM 0 HA SER A 6 0.099 29.248 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.783 28.010 2.428 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.304 29.507 3.204 1.00 0.00 H new ATOM 0 HG SER A 6 -3.607 29.320 3.005 1.00 0.00 H new ATOM 59 N GLY A 7 -1.135 27.348 -0.083 1.00 0.00 N ATOM 60 CA GLY A 7 -1.526 26.473 -1.173 1.00 0.00 C ATOM 61 C GLY A 7 -2.031 25.129 -0.684 1.00 0.00 C ATOM 62 O GLY A 7 -2.109 24.871 0.517 1.00 0.00 O ATOM 0 H GLY A 7 -0.649 26.885 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.304 26.958 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.674 26.319 -1.835 1.00 0.00 H new ATOM 66 N PRO A 8 -2.385 24.247 -1.630 1.00 0.00 N ATOM 67 CA PRO A 8 -2.892 22.908 -1.313 1.00 0.00 C ATOM 68 C PRO A 8 -1.813 22.001 -0.733 1.00 0.00 C ATOM 69 O PRO A 8 -0.674 22.425 -0.533 1.00 0.00 O ATOM 70 CB PRO A 8 -3.364 22.378 -2.669 1.00 0.00 C ATOM 71 CG PRO A 8 -2.553 23.124 -3.671 1.00 0.00 C ATOM 72 CD PRO A 8 -2.318 24.487 -3.081 1.00 0.00 C ATOM 0 HA PRO A 8 -3.675 22.938 -0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.204 21.303 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.430 22.553 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.609 22.615 -3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.079 23.196 -4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.350 24.892 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.075 25.201 -3.406 1.00 0.00 H new ATOM 80 N SER A 9 -2.177 20.751 -0.465 1.00 0.00 N ATOM 81 CA SER A 9 -1.239 19.785 0.096 1.00 0.00 C ATOM 82 C SER A 9 -0.621 18.927 -1.004 1.00 0.00 C ATOM 83 O SER A 9 -1.329 18.268 -1.765 1.00 0.00 O ATOM 84 CB SER A 9 -1.945 18.893 1.119 1.00 0.00 C ATOM 85 OG SER A 9 -3.234 18.518 0.666 1.00 0.00 O ATOM 0 H SER A 9 -3.114 20.383 -0.627 1.00 0.00 H new ATOM 0 HA SER A 9 -0.441 20.336 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.347 18.000 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.029 19.421 2.069 1.00 0.00 H new ATOM 0 HG SER A 9 -3.188 18.267 -0.280 1.00 0.00 H new ATOM 91 N LYS A 10 0.705 18.940 -1.081 1.00 0.00 N ATOM 92 CA LYS A 10 1.421 18.163 -2.085 1.00 0.00 C ATOM 93 C LYS A 10 2.150 16.986 -1.444 1.00 0.00 C ATOM 94 O LYS A 10 2.755 17.123 -0.381 1.00 0.00 O ATOM 95 CB LYS A 10 2.421 19.051 -2.830 1.00 0.00 C ATOM 96 CG LYS A 10 1.818 19.781 -4.018 1.00 0.00 C ATOM 97 CD LYS A 10 0.943 20.942 -3.574 1.00 0.00 C ATOM 98 CE LYS A 10 1.769 22.190 -3.303 1.00 0.00 C ATOM 99 NZ LYS A 10 2.224 22.839 -4.564 1.00 0.00 N ATOM 0 H LYS A 10 1.306 19.481 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 10 0.691 17.773 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.832 19.783 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.253 18.437 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.616 20.151 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.226 19.085 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.201 21.155 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.396 20.663 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.177 22.898 -2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.636 21.927 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.604 23.783 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.966 22.259 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.420 22.929 -5.218 1.00 0.00 H new ATOM 113 N PHE A 11 2.090 15.831 -2.099 1.00 0.00 N ATOM 114 CA PHE A 11 2.745 14.631 -1.593 1.00 0.00 C ATOM 115 C PHE A 11 4.262 14.754 -1.697 1.00 0.00 C ATOM 116 O PHE A 11 4.794 15.143 -2.738 1.00 0.00 O ATOM 117 CB PHE A 11 2.268 13.400 -2.367 1.00 0.00 C ATOM 118 CG PHE A 11 0.858 12.997 -2.042 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.515 12.600 -0.760 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.124 13.014 -3.020 1.00 0.00 C ATOM 121 CE1 PHE A 11 -0.782 12.229 -0.458 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.422 12.645 -2.723 1.00 0.00 C ATOM 123 CZ PHE A 11 -1.751 12.251 -1.441 1.00 0.00 C ATOM 0 H PHE A 11 1.595 15.701 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 11 2.479 14.518 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.343 13.601 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.935 12.565 -2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.270 12.580 0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.128 13.319 -4.025 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.037 11.922 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.179 12.665 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.765 11.961 -1.208 1.00 0.00 H new ATOM 133 N ILE A 12 4.953 14.422 -0.612 1.00 0.00 N ATOM 134 CA ILE A 12 6.408 14.495 -0.580 1.00 0.00 C ATOM 135 C ILE A 12 7.035 13.203 -1.096 1.00 0.00 C ATOM 136 O ILE A 12 7.755 13.207 -2.094 1.00 0.00 O ATOM 137 CB ILE A 12 6.927 14.771 0.843 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.930 15.638 1.614 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.290 15.445 0.788 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.533 16.900 0.881 1.00 0.00 C ATOM 0 H ILE A 12 4.528 14.100 0.257 1.00 0.00 H new ATOM 0 HA ILE A 12 6.697 15.321 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 12 7.033 13.820 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.035 15.051 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.364 15.908 2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.644 15.634 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.997 14.795 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.207 16.390 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.825 17.465 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.419 17.508 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.069 16.638 -0.070 1.00 0.00 H new ATOM 152 N GLU A 13 6.753 12.100 -0.410 1.00 0.00 N ATOM 153 CA GLU A 13 7.289 10.801 -0.800 1.00 0.00 C ATOM 154 C GLU A 13 6.372 10.115 -1.807 1.00 0.00 C ATOM 155 O GLU A 13 6.834 9.517 -2.778 1.00 0.00 O ATOM 156 CB GLU A 13 7.471 9.910 0.430 1.00 0.00 C ATOM 157 CG GLU A 13 8.798 10.117 1.141 1.00 0.00 C ATOM 158 CD GLU A 13 9.987 9.981 0.210 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.467 8.843 0.024 1.00 0.00 O ATOM 160 OE2 GLU A 13 10.437 11.012 -0.334 1.00 0.00 O ATOM 0 H GLU A 13 6.157 12.080 0.418 1.00 0.00 H new ATOM 0 HA GLU A 13 8.259 10.963 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.659 10.103 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.390 8.866 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.810 11.107 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.890 9.392 1.949 1.00 0.00 H new ATOM 167 N GLY A 14 5.067 10.206 -1.569 1.00 0.00 N ATOM 168 CA GLY A 14 4.104 9.589 -2.463 1.00 0.00 C ATOM 169 C GLY A 14 4.055 8.081 -2.311 1.00 0.00 C ATOM 170 O GLY A 14 5.086 7.435 -2.122 1.00 0.00 O ATOM 0 H GLY A 14 4.659 10.696 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.115 10.003 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.357 9.839 -3.493 1.00 0.00 H new ATOM 174 N LEU A 15 2.854 7.519 -2.391 1.00 0.00 N ATOM 175 CA LEU A 15 2.673 6.078 -2.259 1.00 0.00 C ATOM 176 C LEU A 15 3.669 5.322 -3.134 1.00 0.00 C ATOM 177 O LEU A 15 3.868 5.662 -4.300 1.00 0.00 O ATOM 178 CB LEU A 15 1.244 5.686 -2.638 1.00 0.00 C ATOM 179 CG LEU A 15 0.169 5.977 -1.591 1.00 0.00 C ATOM 180 CD1 LEU A 15 -1.186 5.473 -2.063 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.539 5.345 -0.257 1.00 0.00 C ATOM 0 H LEU A 15 1.991 8.040 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 15 2.853 5.808 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.977 6.207 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.228 4.619 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 15 0.105 7.056 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.939 5.689 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.455 5.971 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.136 4.397 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.237 5.562 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.631 4.266 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.489 5.754 0.088 1.00 0.00 H new ATOM 193 N ARG A 16 4.289 4.294 -2.563 1.00 0.00 N ATOM 194 CA ARG A 16 5.263 3.490 -3.291 1.00 0.00 C ATOM 195 C ARG A 16 4.756 2.063 -3.482 1.00 0.00 C ATOM 196 O ARG A 16 3.960 1.566 -2.687 1.00 0.00 O ATOM 197 CB ARG A 16 6.599 3.472 -2.547 1.00 0.00 C ATOM 198 CG ARG A 16 7.330 4.805 -2.575 1.00 0.00 C ATOM 199 CD ARG A 16 7.870 5.115 -3.963 1.00 0.00 C ATOM 200 NE ARG A 16 9.188 4.526 -4.182 1.00 0.00 N ATOM 201 CZ ARG A 16 9.375 3.307 -4.675 1.00 0.00 C ATOM 202 NH1 ARG A 16 8.334 2.552 -4.999 1.00 0.00 N ATOM 203 NH2 ARG A 16 10.606 2.841 -4.845 1.00 0.00 N ATOM 0 H ARG A 16 4.134 3.999 -1.599 1.00 0.00 H new ATOM 0 HA ARG A 16 5.408 3.941 -4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.424 3.185 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.239 2.707 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.653 5.599 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.152 4.786 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.176 4.739 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.929 6.195 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 16 10.010 5.081 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.387 2.907 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.481 1.616 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.409 3.419 -4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.749 1.905 -5.224 1.00 0.00 H new ATOM 217 N ASN A 17 5.222 1.412 -4.542 1.00 0.00 N ATOM 218 CA ASN A 17 4.815 0.043 -4.838 1.00 0.00 C ATOM 219 C ASN A 17 5.036 -0.864 -3.631 1.00 0.00 C ATOM 220 O ASN A 17 6.172 -1.184 -3.283 1.00 0.00 O ATOM 221 CB ASN A 17 5.592 -0.494 -6.042 1.00 0.00 C ATOM 222 CG ASN A 17 7.020 0.016 -6.082 1.00 0.00 C ATOM 223 OD1 ASN A 17 7.317 0.867 -7.058 1.00 0.00 O flip ATOM 224 ND2 ASN A 17 7.846 -0.350 -5.246 1.00 0.00 N flip ATOM 0 H ASN A 17 5.882 1.810 -5.211 1.00 0.00 H new ATOM 0 HA ASN A 17 3.751 0.051 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.599 -1.584 -6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.080 -0.205 -6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.574 -1.005 -4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.802 0.002 -5.286 1.00 0.00 H new ATOM 231 N GLU A 18 3.942 -1.273 -2.996 1.00 0.00 N ATOM 232 CA GLU A 18 4.017 -2.142 -1.828 1.00 0.00 C ATOM 233 C GLU A 18 3.758 -3.596 -2.214 1.00 0.00 C ATOM 234 O GLU A 18 2.689 -3.932 -2.722 1.00 0.00 O ATOM 235 CB GLU A 18 3.009 -1.697 -0.767 1.00 0.00 C ATOM 236 CG GLU A 18 2.938 -2.625 0.433 1.00 0.00 C ATOM 237 CD GLU A 18 4.078 -2.406 1.409 1.00 0.00 C ATOM 238 OE1 GLU A 18 4.439 -1.235 1.648 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.610 -3.407 1.933 1.00 0.00 O ATOM 0 H GLU A 18 2.994 -1.016 -3.271 1.00 0.00 H new ATOM 0 HA GLU A 18 5.023 -2.067 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.272 -0.696 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.021 -1.630 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.990 -2.474 0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.953 -3.659 0.089 1.00 0.00 H new ATOM 246 N GLU A 19 4.744 -4.453 -1.968 1.00 0.00 N ATOM 247 CA GLU A 19 4.623 -5.869 -2.291 1.00 0.00 C ATOM 248 C GLU A 19 4.480 -6.706 -1.023 1.00 0.00 C ATOM 249 O GLU A 19 5.373 -6.727 -0.177 1.00 0.00 O ATOM 250 CB GLU A 19 5.839 -6.339 -3.091 1.00 0.00 C ATOM 251 CG GLU A 19 6.122 -7.826 -2.953 1.00 0.00 C ATOM 252 CD GLU A 19 7.377 -8.252 -3.689 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.469 -8.186 -3.087 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.267 -8.652 -4.867 1.00 0.00 O ATOM 0 H GLU A 19 5.635 -4.191 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 19 3.726 -6.001 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.683 -6.104 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.716 -5.779 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.222 -8.076 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.272 -8.391 -3.335 1.00 0.00 H new ATOM 261 N ALA A 20 3.349 -7.394 -0.899 1.00 0.00 N ATOM 262 CA ALA A 20 3.089 -8.233 0.264 1.00 0.00 C ATOM 263 C ALA A 20 2.661 -9.635 -0.156 1.00 0.00 C ATOM 264 O ALA A 20 2.490 -9.915 -1.343 1.00 0.00 O ATOM 265 CB ALA A 20 2.027 -7.596 1.147 1.00 0.00 C ATOM 0 H ALA A 20 2.599 -7.386 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 20 4.014 -8.320 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.843 -8.233 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.372 -6.618 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.104 -7.479 0.579 1.00 0.00 H new ATOM 271 N THR A 21 2.489 -10.515 0.826 1.00 0.00 N ATOM 272 CA THR A 21 2.082 -11.889 0.558 1.00 0.00 C ATOM 273 C THR A 21 0.595 -12.084 0.829 1.00 0.00 C ATOM 274 O THR A 21 0.080 -11.648 1.858 1.00 0.00 O ATOM 275 CB THR A 21 2.884 -12.889 1.413 1.00 0.00 C ATOM 276 OG1 THR A 21 4.287 -12.644 1.266 1.00 0.00 O ATOM 277 CG2 THR A 21 2.569 -14.321 1.008 1.00 0.00 C ATOM 0 H THR A 21 2.625 -10.300 1.814 1.00 0.00 H new ATOM 0 HA THR A 21 2.284 -12.079 -0.496 1.00 0.00 H new ATOM 0 HB THR A 21 2.599 -12.752 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.790 -13.282 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.147 -15.009 1.625 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.505 -14.513 1.148 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.829 -14.468 -0.040 1.00 0.00 H new ATOM 285 N GLU A 22 -0.090 -12.744 -0.100 1.00 0.00 N ATOM 286 CA GLU A 22 -1.519 -12.997 0.040 1.00 0.00 C ATOM 287 C GLU A 22 -1.861 -13.409 1.469 1.00 0.00 C ATOM 288 O GLU A 22 -1.047 -14.018 2.162 1.00 0.00 O ATOM 289 CB GLU A 22 -1.966 -14.085 -0.938 1.00 0.00 C ATOM 290 CG GLU A 22 -3.446 -14.417 -0.846 1.00 0.00 C ATOM 291 CD GLU A 22 -3.810 -15.677 -1.606 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.690 -15.677 -2.849 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.215 -16.664 -0.957 1.00 0.00 O ATOM 0 H GLU A 22 0.322 -13.113 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.050 -12.073 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.737 -13.764 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.387 -14.990 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.723 -14.536 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.027 -13.581 -1.236 1.00 0.00 H new ATOM 300 N GLY A 23 -3.072 -13.073 1.902 1.00 0.00 N ATOM 301 CA GLY A 23 -3.501 -13.416 3.246 1.00 0.00 C ATOM 302 C GLY A 23 -3.046 -12.401 4.276 1.00 0.00 C ATOM 303 O GLY A 23 -3.706 -12.204 5.297 1.00 0.00 O ATOM 0 H GLY A 23 -3.764 -12.570 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.588 -13.490 3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.109 -14.398 3.510 1.00 0.00 H new ATOM 307 N ASP A 24 -1.915 -11.757 4.010 1.00 0.00 N ATOM 308 CA ASP A 24 -1.372 -10.757 4.923 1.00 0.00 C ATOM 309 C ASP A 24 -2.211 -9.483 4.894 1.00 0.00 C ATOM 310 O ASP A 24 -3.255 -9.428 4.244 1.00 0.00 O ATOM 311 CB ASP A 24 0.078 -10.436 4.557 1.00 0.00 C ATOM 312 CG ASP A 24 0.865 -9.895 5.734 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.664 -10.392 6.862 1.00 0.00 O ATOM 314 OD2 ASP A 24 1.683 -8.974 5.527 1.00 0.00 O ATOM 0 H ASP A 24 -1.356 -11.909 3.170 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.402 -11.167 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.563 -11.337 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.092 -9.706 3.747 1.00 0.00 H new ATOM 319 N THR A 25 -1.747 -8.459 5.604 1.00 0.00 N ATOM 320 CA THR A 25 -2.454 -7.186 5.662 1.00 0.00 C ATOM 321 C THR A 25 -1.590 -6.052 5.124 1.00 0.00 C ATOM 322 O THR A 25 -0.637 -5.623 5.773 1.00 0.00 O ATOM 323 CB THR A 25 -2.886 -6.848 7.102 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.658 -7.924 7.647 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.701 -5.565 7.136 1.00 0.00 C ATOM 0 H THR A 25 -0.884 -8.487 6.147 1.00 0.00 H new ATOM 0 HA THR A 25 -3.342 -7.290 5.039 1.00 0.00 H new ATOM 0 HB THR A 25 -1.988 -6.705 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.927 -7.702 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.994 -5.347 8.163 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.101 -4.742 6.748 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.593 -5.684 6.521 1.00 0.00 H new ATOM 333 N ALA A 26 -1.930 -5.570 3.933 1.00 0.00 N ATOM 334 CA ALA A 26 -1.187 -4.483 3.308 1.00 0.00 C ATOM 335 C ALA A 26 -1.317 -3.195 4.114 1.00 0.00 C ATOM 336 O ALA A 26 -2.389 -2.877 4.630 1.00 0.00 O ATOM 337 CB ALA A 26 -1.668 -4.265 1.881 1.00 0.00 C ATOM 0 H ALA A 26 -2.716 -5.915 3.382 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.134 -4.763 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.104 -3.450 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.517 -5.177 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.728 -4.012 1.889 1.00 0.00 H new ATOM 343 N THR A 27 -0.217 -2.455 4.220 1.00 0.00 N ATOM 344 CA THR A 27 -0.208 -1.202 4.965 1.00 0.00 C ATOM 345 C THR A 27 0.505 -0.104 4.184 1.00 0.00 C ATOM 346 O THR A 27 1.730 0.013 4.235 1.00 0.00 O ATOM 347 CB THR A 27 0.476 -1.369 6.335 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.281 -2.267 7.154 1.00 0.00 O ATOM 349 CG2 THR A 27 0.613 -0.026 7.038 1.00 0.00 C ATOM 0 H THR A 27 0.679 -2.702 3.799 1.00 0.00 H new ATOM 0 HA THR A 27 -1.249 -0.917 5.119 1.00 0.00 H new ATOM 0 HB THR A 27 1.472 -1.779 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.161 -2.369 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.099 -0.169 8.003 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.214 0.646 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.375 0.408 7.190 1.00 0.00 H new ATOM 357 N LEU A 28 -0.268 0.700 3.463 1.00 0.00 N ATOM 358 CA LEU A 28 0.290 1.791 2.672 1.00 0.00 C ATOM 359 C LEU A 28 0.561 3.013 3.543 1.00 0.00 C ATOM 360 O LEU A 28 0.194 3.043 4.718 1.00 0.00 O ATOM 361 CB LEU A 28 -0.664 2.163 1.535 1.00 0.00 C ATOM 362 CG LEU A 28 -0.664 1.227 0.326 1.00 0.00 C ATOM 363 CD1 LEU A 28 0.547 1.492 -0.554 1.00 0.00 C ATOM 364 CD2 LEU A 28 -0.691 -0.227 0.776 1.00 0.00 C ATOM 0 H LEU A 28 -1.283 0.617 3.410 1.00 0.00 H new ATOM 0 HA LEU A 28 1.236 1.452 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.677 2.206 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.415 3.167 1.192 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.563 1.422 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.530 0.817 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.523 2.523 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.458 1.326 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.691 -0.878 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.189 -0.436 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.591 -0.409 1.364 1.00 0.00 H new ATOM 376 N TRP A 29 1.203 4.019 2.960 1.00 0.00 N ATOM 377 CA TRP A 29 1.521 5.245 3.683 1.00 0.00 C ATOM 378 C TRP A 29 2.132 6.284 2.750 1.00 0.00 C ATOM 379 O TRP A 29 2.832 5.940 1.796 1.00 0.00 O ATOM 380 CB TRP A 29 2.482 4.947 4.835 1.00 0.00 C ATOM 381 CG TRP A 29 3.910 4.817 4.398 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.585 3.660 4.133 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.839 5.885 4.179 1.00 0.00 C ATOM 384 NE1 TRP A 29 5.877 3.943 3.762 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.058 5.301 3.781 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.759 7.276 4.277 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.185 6.062 3.484 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.879 8.030 3.982 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.079 7.422 3.589 1.00 0.00 C ATOM 0 H TRP A 29 1.514 4.010 1.988 1.00 0.00 H new ATOM 0 HA TRP A 29 0.594 5.650 4.089 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.407 5.743 5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.174 4.024 5.326 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.165 2.668 4.205 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.587 3.254 3.513 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.838 7.754 4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.111 5.595 3.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.829 9.106 4.056 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.937 8.039 3.365 1.00 0.00 H new ATOM 400 N CYS A 30 1.865 7.555 3.031 1.00 0.00 N ATOM 401 CA CYS A 30 2.389 8.644 2.216 1.00 0.00 C ATOM 402 C CYS A 30 2.586 9.904 3.053 1.00 0.00 C ATOM 403 O CYS A 30 1.785 10.204 3.937 1.00 0.00 O ATOM 404 CB CYS A 30 1.445 8.936 1.049 1.00 0.00 C ATOM 405 SG CYS A 30 -0.190 9.523 1.551 1.00 0.00 S ATOM 0 H CYS A 30 1.289 7.856 3.817 1.00 0.00 H new ATOM 0 HA CYS A 30 3.358 8.336 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.905 9.683 0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.327 8.029 0.455 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.431 10.670 0.988 1.00 0.00 H new ATOM 411 N GLU A 31 3.660 10.635 2.770 1.00 0.00 N ATOM 412 CA GLU A 31 3.963 11.861 3.499 1.00 0.00 C ATOM 413 C GLU A 31 3.170 13.038 2.938 1.00 0.00 C ATOM 414 O GLU A 31 2.661 12.981 1.818 1.00 0.00 O ATOM 415 CB GLU A 31 5.461 12.163 3.433 1.00 0.00 C ATOM 416 CG GLU A 31 5.891 13.311 4.330 1.00 0.00 C ATOM 417 CD GLU A 31 7.326 13.178 4.800 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.569 12.416 5.758 1.00 0.00 O ATOM 419 OE2 GLU A 31 8.207 13.838 4.209 1.00 0.00 O ATOM 0 H GLU A 31 4.334 10.400 2.042 1.00 0.00 H new ATOM 0 HA GLU A 31 3.675 11.715 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.016 11.267 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.731 12.397 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.775 14.251 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.232 13.357 5.197 1.00 0.00 H new ATOM 426 N LEU A 32 3.068 14.104 3.725 1.00 0.00 N ATOM 427 CA LEU A 32 2.337 15.295 3.309 1.00 0.00 C ATOM 428 C LEU A 32 3.025 16.560 3.812 1.00 0.00 C ATOM 429 O LEU A 32 3.539 16.596 4.930 1.00 0.00 O ATOM 430 CB LEU A 32 0.899 15.243 3.827 1.00 0.00 C ATOM 431 CG LEU A 32 -0.147 15.970 2.982 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.070 15.517 1.532 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.542 15.737 3.542 1.00 0.00 C ATOM 0 H LEU A 32 3.483 14.167 4.655 1.00 0.00 H new ATOM 0 HA LEU A 32 2.323 15.320 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.603 14.197 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.881 15.664 4.832 1.00 0.00 H new ATOM 0 HG LEU A 32 0.063 17.039 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.822 16.045 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.921 15.737 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.254 14.444 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.273 16.262 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.763 14.670 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.591 16.112 4.564 1.00 0.00 H new ATOM 445 N SER A 33 3.030 17.596 2.979 1.00 0.00 N ATOM 446 CA SER A 33 3.657 18.863 3.339 1.00 0.00 C ATOM 447 C SER A 33 2.664 19.777 4.051 1.00 0.00 C ATOM 448 O SER A 33 3.006 20.887 4.459 1.00 0.00 O ATOM 449 CB SER A 33 4.202 19.559 2.090 1.00 0.00 C ATOM 450 OG SER A 33 4.378 20.947 2.316 1.00 0.00 O ATOM 0 H SER A 33 2.607 17.583 2.051 1.00 0.00 H new ATOM 0 HA SER A 33 4.483 18.652 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.154 19.110 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.516 19.407 1.257 1.00 0.00 H new ATOM 0 HG SER A 33 4.285 21.137 3.273 1.00 0.00 H new ATOM 456 N LYS A 34 1.432 19.301 4.198 1.00 0.00 N ATOM 457 CA LYS A 34 0.388 20.073 4.862 1.00 0.00 C ATOM 458 C LYS A 34 -0.662 19.152 5.475 1.00 0.00 C ATOM 459 O LYS A 34 -1.432 18.510 4.761 1.00 0.00 O ATOM 460 CB LYS A 34 -0.276 21.031 3.870 1.00 0.00 C ATOM 461 CG LYS A 34 -1.650 21.506 4.310 1.00 0.00 C ATOM 462 CD LYS A 34 -1.586 22.241 5.638 1.00 0.00 C ATOM 463 CE LYS A 34 -2.975 22.602 6.142 1.00 0.00 C ATOM 464 NZ LYS A 34 -3.722 23.436 5.161 1.00 0.00 N ATOM 0 H LYS A 34 1.132 18.384 3.866 1.00 0.00 H new ATOM 0 HA LYS A 34 0.851 20.651 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.370 21.897 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.364 20.536 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.070 22.164 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.321 20.651 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.080 21.618 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.992 23.148 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.536 21.690 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.890 23.140 7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.606 23.773 5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.139 24.251 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.944 22.867 4.319 1.00 0.00 H new ATOM 478 N ALA A 35 -0.688 19.093 6.803 1.00 0.00 N ATOM 479 CA ALA A 35 -1.646 18.254 7.512 1.00 0.00 C ATOM 480 C ALA A 35 -3.056 18.449 6.966 1.00 0.00 C ATOM 481 O ALA A 35 -3.659 19.508 7.141 1.00 0.00 O ATOM 482 CB ALA A 35 -1.608 18.555 9.003 1.00 0.00 C ATOM 0 H ALA A 35 -0.056 19.616 7.409 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.366 17.212 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.328 17.921 9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.608 18.357 9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.861 19.602 9.169 1.00 0.00 H new ATOM 488 N ALA A 36 -3.577 17.422 6.303 1.00 0.00 N ATOM 489 CA ALA A 36 -4.917 17.480 5.733 1.00 0.00 C ATOM 490 C ALA A 36 -5.499 16.082 5.554 1.00 0.00 C ATOM 491 O ALA A 36 -4.777 15.100 5.380 1.00 0.00 O ATOM 492 CB ALA A 36 -4.893 18.218 4.403 1.00 0.00 C ATOM 0 H ALA A 36 -3.091 16.539 6.147 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.557 18.025 6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.900 18.254 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.528 19.233 4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.234 17.696 3.709 1.00 0.00 H new ATOM 498 N PRO A 37 -6.836 15.987 5.598 1.00 0.00 N ATOM 499 CA PRO A 37 -7.545 14.713 5.442 1.00 0.00 C ATOM 500 C PRO A 37 -7.454 14.169 4.021 1.00 0.00 C ATOM 501 O PRO A 37 -7.997 14.757 3.085 1.00 0.00 O ATOM 502 CB PRO A 37 -8.993 15.068 5.788 1.00 0.00 C ATOM 503 CG PRO A 37 -9.107 16.524 5.493 1.00 0.00 C ATOM 504 CD PRO A 37 -7.760 17.116 5.802 1.00 0.00 C ATOM 0 HA PRO A 37 -7.122 13.931 6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.696 14.487 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.213 14.858 6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.377 16.691 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.885 16.986 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.527 17.951 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.712 17.495 6.823 1.00 0.00 H new ATOM 512 N VAL A 38 -6.766 13.043 3.865 1.00 0.00 N ATOM 513 CA VAL A 38 -6.606 12.419 2.557 1.00 0.00 C ATOM 514 C VAL A 38 -7.666 11.348 2.326 1.00 0.00 C ATOM 515 O VAL A 38 -8.293 10.868 3.270 1.00 0.00 O ATOM 516 CB VAL A 38 -5.210 11.785 2.405 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.126 12.785 2.776 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.101 10.527 3.253 1.00 0.00 C ATOM 0 H VAL A 38 -6.310 12.544 4.629 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.722 13.208 1.813 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.069 11.504 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.147 12.319 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.193 13.654 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.260 13.100 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.109 10.092 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.263 10.779 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.854 9.806 2.933 1.00 0.00 H new ATOM 528 N GLU A 39 -7.861 10.978 1.064 1.00 0.00 N ATOM 529 CA GLU A 39 -8.846 9.964 0.709 1.00 0.00 C ATOM 530 C GLU A 39 -8.205 8.843 -0.103 1.00 0.00 C ATOM 531 O GLU A 39 -7.598 9.087 -1.146 1.00 0.00 O ATOM 532 CB GLU A 39 -9.994 10.592 -0.085 1.00 0.00 C ATOM 533 CG GLU A 39 -11.085 9.604 -0.462 1.00 0.00 C ATOM 534 CD GLU A 39 -12.318 10.283 -1.025 1.00 0.00 C ATOM 535 OE1 GLU A 39 -13.016 10.976 -0.255 1.00 0.00 O ATOM 536 OE2 GLU A 39 -12.586 10.122 -2.234 1.00 0.00 O ATOM 0 H GLU A 39 -7.350 11.365 0.271 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.241 9.540 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.433 11.398 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.593 11.042 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.695 8.901 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.364 9.024 0.417 1.00 0.00 H new ATOM 543 N TRP A 40 -8.344 7.615 0.382 1.00 0.00 N ATOM 544 CA TRP A 40 -7.777 6.455 -0.298 1.00 0.00 C ATOM 545 C TRP A 40 -8.775 5.864 -1.288 1.00 0.00 C ATOM 546 O TRP A 40 -9.982 5.869 -1.045 1.00 0.00 O ATOM 547 CB TRP A 40 -7.361 5.393 0.721 1.00 0.00 C ATOM 548 CG TRP A 40 -6.288 5.858 1.658 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.426 6.746 2.686 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.913 5.460 1.651 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.219 6.924 3.319 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.275 6.145 2.704 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.158 4.589 0.860 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.920 5.987 2.982 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.813 4.433 1.137 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.206 5.128 2.191 1.00 0.00 C ATOM 0 H TRP A 40 -8.844 7.396 1.243 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.896 6.783 -0.850 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.234 5.093 1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.011 4.507 0.190 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.348 7.236 2.961 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.053 7.537 4.117 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.618 4.047 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.449 6.523 3.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.220 3.764 0.531 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.153 4.983 2.383 1.00 0.00 H new ATOM 567 N ARG A 41 -8.263 5.356 -2.405 1.00 0.00 N ATOM 568 CA ARG A 41 -9.111 4.762 -3.432 1.00 0.00 C ATOM 569 C ARG A 41 -8.497 3.470 -3.963 1.00 0.00 C ATOM 570 O ARG A 41 -7.275 3.337 -4.042 1.00 0.00 O ATOM 571 CB ARG A 41 -9.322 5.749 -4.582 1.00 0.00 C ATOM 572 CG ARG A 41 -10.084 7.001 -4.178 1.00 0.00 C ATOM 573 CD ARG A 41 -10.193 7.984 -5.333 1.00 0.00 C ATOM 574 NE ARG A 41 -11.269 8.950 -5.130 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.370 10.090 -5.804 1.00 0.00 C ATOM 576 NH1 ARG A 41 -10.465 10.404 -6.720 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.379 10.917 -5.563 1.00 0.00 N ATOM 0 H ARG A 41 -7.266 5.344 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.075 4.528 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.351 6.039 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.863 5.248 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.082 6.726 -3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.581 7.479 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.247 8.514 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.367 7.437 -6.259 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.982 8.738 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.689 9.770 -6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.545 11.280 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.078 10.678 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.456 11.792 -6.081 1.00 0.00 H new ATOM 591 N LYS A 42 -9.352 2.520 -4.326 1.00 0.00 N ATOM 592 CA LYS A 42 -8.895 1.238 -4.850 1.00 0.00 C ATOM 593 C LYS A 42 -9.558 0.931 -6.189 1.00 0.00 C ATOM 594 O LYS A 42 -10.565 0.226 -6.247 1.00 0.00 O ATOM 595 CB LYS A 42 -9.196 0.119 -3.851 1.00 0.00 C ATOM 596 CG LYS A 42 -8.854 -1.267 -4.369 1.00 0.00 C ATOM 597 CD LYS A 42 -9.665 -2.342 -3.664 1.00 0.00 C ATOM 598 CE LYS A 42 -9.483 -3.700 -4.324 1.00 0.00 C ATOM 599 NZ LYS A 42 -10.009 -3.715 -5.717 1.00 0.00 N ATOM 0 H LYS A 42 -10.366 2.614 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.818 1.299 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.637 0.303 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.254 0.150 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.043 -1.312 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.791 -1.458 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.362 -2.401 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.720 -2.069 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.425 -3.961 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.994 -4.461 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.134 -4.699 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.924 -3.222 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.336 -3.234 -6.347 1.00 0.00 H new ATOM 613 N GLY A 43 -8.986 1.464 -7.264 1.00 0.00 N ATOM 614 CA GLY A 43 -9.535 1.234 -8.588 1.00 0.00 C ATOM 615 C GLY A 43 -10.685 2.167 -8.909 1.00 0.00 C ATOM 616 O GLY A 43 -10.478 3.353 -9.170 1.00 0.00 O ATOM 0 H GLY A 43 -8.152 2.051 -7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.748 1.363 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.877 0.202 -8.662 1.00 0.00 H new ATOM 620 N HIS A 44 -11.902 1.632 -8.891 1.00 0.00 N ATOM 621 CA HIS A 44 -13.090 2.426 -9.184 1.00 0.00 C ATOM 622 C HIS A 44 -13.995 2.521 -7.960 1.00 0.00 C ATOM 623 O HIS A 44 -15.186 2.220 -8.033 1.00 0.00 O ATOM 624 CB HIS A 44 -13.860 1.816 -10.356 1.00 0.00 C ATOM 625 CG HIS A 44 -14.751 2.792 -11.060 1.00 0.00 C ATOM 626 ND1 HIS A 44 -15.952 2.436 -11.636 1.00 0.00 N ATOM 627 CD2 HIS A 44 -14.611 4.121 -11.278 1.00 0.00 C ATOM 628 CE1 HIS A 44 -16.511 3.502 -12.180 1.00 0.00 C ATOM 629 NE2 HIS A 44 -15.718 4.538 -11.976 1.00 0.00 N ATOM 0 H HIS A 44 -12.091 0.653 -8.677 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.768 3.431 -9.455 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.149 1.404 -11.072 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.463 0.985 -9.991 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.783 4.738 -10.962 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -17.456 3.523 -12.703 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -15.898 5.493 -12.286 1.00 0.00 H new ATOM 638 N GLU A 45 -13.421 2.940 -6.836 1.00 0.00 N ATOM 639 CA GLU A 45 -14.177 3.072 -5.596 1.00 0.00 C ATOM 640 C GLU A 45 -13.356 3.797 -4.534 1.00 0.00 C ATOM 641 O GLU A 45 -12.148 3.985 -4.686 1.00 0.00 O ATOM 642 CB GLU A 45 -14.598 1.695 -5.080 1.00 0.00 C ATOM 643 CG GLU A 45 -15.768 1.739 -4.112 1.00 0.00 C ATOM 644 CD GLU A 45 -16.498 0.414 -4.018 1.00 0.00 C ATOM 645 OE1 GLU A 45 -17.124 0.009 -5.020 1.00 0.00 O ATOM 646 OE2 GLU A 45 -16.444 -0.219 -2.943 1.00 0.00 O ATOM 0 H GLU A 45 -12.436 3.194 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.070 3.661 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.863 1.064 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.747 1.225 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.406 2.021 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.467 2.513 -4.428 1.00 0.00 H new ATOM 653 N THR A 46 -14.020 4.203 -3.456 1.00 0.00 N ATOM 654 CA THR A 46 -13.354 4.908 -2.368 1.00 0.00 C ATOM 655 C THR A 46 -13.326 4.062 -1.100 1.00 0.00 C ATOM 656 O THR A 46 -14.361 3.572 -0.646 1.00 0.00 O ATOM 657 CB THR A 46 -14.046 6.250 -2.062 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.896 7.143 -3.171 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.462 6.886 -0.810 1.00 0.00 C ATOM 0 H THR A 46 -15.019 4.055 -3.313 1.00 0.00 H new ATOM 0 HA THR A 46 -12.332 5.101 -2.695 1.00 0.00 H new ATOM 0 HB THR A 46 -15.105 6.057 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.340 7.993 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.966 7.832 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.604 6.216 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.397 7.066 -0.956 1.00 0.00 H new ATOM 667 N LEU A 47 -12.137 3.896 -0.532 1.00 0.00 N ATOM 668 CA LEU A 47 -11.975 3.109 0.686 1.00 0.00 C ATOM 669 C LEU A 47 -12.613 3.814 1.879 1.00 0.00 C ATOM 670 O LEU A 47 -12.767 5.035 1.881 1.00 0.00 O ATOM 671 CB LEU A 47 -10.491 2.859 0.961 1.00 0.00 C ATOM 672 CG LEU A 47 -9.730 2.083 -0.114 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.236 2.100 0.171 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.242 0.652 -0.201 1.00 0.00 C ATOM 0 H LEU A 47 -11.271 4.295 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.478 2.153 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.001 3.822 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.403 2.317 1.903 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.901 2.569 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.711 1.543 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.879 3.130 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.045 1.640 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.689 0.114 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.102 0.156 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.302 0.660 -0.454 1.00 0.00 H new ATOM 686 N ARG A 48 -12.980 3.036 2.892 1.00 0.00 N ATOM 687 CA ARG A 48 -13.601 3.586 4.091 1.00 0.00 C ATOM 688 C ARG A 48 -13.104 2.865 5.340 1.00 0.00 C ATOM 689 O ARG A 48 -12.736 1.691 5.286 1.00 0.00 O ATOM 690 CB ARG A 48 -15.124 3.477 3.999 1.00 0.00 C ATOM 691 CG ARG A 48 -15.707 4.124 2.753 1.00 0.00 C ATOM 692 CD ARG A 48 -17.219 4.249 2.845 1.00 0.00 C ATOM 693 NE ARG A 48 -17.626 5.356 3.707 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.823 5.929 3.650 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.726 5.502 2.778 1.00 0.00 N ATOM 696 NH2 ARG A 48 -19.119 6.932 4.468 1.00 0.00 N ATOM 0 H ARG A 48 -12.858 2.023 2.906 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.323 4.637 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.406 2.424 4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.567 3.941 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.267 5.112 2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.443 3.532 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.632 4.396 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.637 3.318 3.229 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.955 5.708 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.502 4.731 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.644 5.944 2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.427 7.263 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.038 7.372 4.424 1.00 0.00 H new ATOM 710 N ASP A 49 -13.094 3.575 6.463 1.00 0.00 N ATOM 711 CA ASP A 49 -12.642 3.003 7.726 1.00 0.00 C ATOM 712 C ASP A 49 -13.635 1.964 8.238 1.00 0.00 C ATOM 713 O ASP A 49 -14.807 2.267 8.459 1.00 0.00 O ATOM 714 CB ASP A 49 -12.453 4.104 8.770 1.00 0.00 C ATOM 715 CG ASP A 49 -13.486 5.206 8.644 1.00 0.00 C ATOM 716 OD1 ASP A 49 -14.622 5.012 9.127 1.00 0.00 O ATOM 717 OD2 ASP A 49 -13.160 6.261 8.063 1.00 0.00 O ATOM 0 H ASP A 49 -13.394 4.548 6.524 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.685 2.510 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.511 3.668 9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.456 4.531 8.666 1.00 0.00 H new ATOM 722 N GLY A 50 -13.158 0.737 8.423 1.00 0.00 N ATOM 723 CA GLY A 50 -14.017 -0.328 8.906 1.00 0.00 C ATOM 724 C GLY A 50 -13.241 -1.430 9.600 1.00 0.00 C ATOM 725 O GLY A 50 -12.156 -1.194 10.131 1.00 0.00 O ATOM 0 H GLY A 50 -12.192 0.462 8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.750 0.087 9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.572 -0.751 8.069 1.00 0.00 H new ATOM 729 N ASP A 51 -13.797 -2.636 9.596 1.00 0.00 N ATOM 730 CA ASP A 51 -13.150 -3.779 10.230 1.00 0.00 C ATOM 731 C ASP A 51 -11.899 -4.191 9.460 1.00 0.00 C ATOM 732 O ASP A 51 -10.803 -4.242 10.019 1.00 0.00 O ATOM 733 CB ASP A 51 -14.121 -4.958 10.318 1.00 0.00 C ATOM 734 CG ASP A 51 -14.935 -4.942 11.597 1.00 0.00 C ATOM 735 OD1 ASP A 51 -14.343 -4.727 12.674 1.00 0.00 O ATOM 736 OD2 ASP A 51 -16.165 -5.146 11.519 1.00 0.00 O ATOM 0 H ASP A 51 -14.695 -2.848 9.161 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.855 -3.485 11.237 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.795 -4.935 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.561 -5.891 10.258 1.00 0.00 H new ATOM 741 N ARG A 52 -12.070 -4.484 8.175 1.00 0.00 N ATOM 742 CA ARG A 52 -10.956 -4.894 7.330 1.00 0.00 C ATOM 743 C ARG A 52 -10.042 -3.711 7.025 1.00 0.00 C ATOM 744 O ARG A 52 -8.853 -3.731 7.347 1.00 0.00 O ATOM 745 CB ARG A 52 -11.474 -5.501 6.025 1.00 0.00 C ATOM 746 CG ARG A 52 -10.557 -6.563 5.441 1.00 0.00 C ATOM 747 CD ARG A 52 -11.033 -7.019 4.071 1.00 0.00 C ATOM 748 NE ARG A 52 -12.273 -7.786 4.150 1.00 0.00 N ATOM 749 CZ ARG A 52 -12.923 -8.244 3.086 1.00 0.00 C ATOM 750 NH1 ARG A 52 -12.453 -8.013 1.868 1.00 0.00 N ATOM 751 NH2 ARG A 52 -14.046 -8.935 3.239 1.00 0.00 N ATOM 0 H ARG A 52 -12.970 -4.445 7.697 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.381 -5.647 7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.456 -5.939 6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.608 -4.705 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.544 -6.167 5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.513 -7.418 6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.185 -6.149 3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.260 -7.628 3.603 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.661 -7.981 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.590 -7.482 1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.954 -8.366 1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.411 -9.115 4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.544 -9.286 2.421 1.00 0.00 H new ATOM 765 N HIS A 53 -10.604 -2.680 6.401 1.00 0.00 N ATOM 766 CA HIS A 53 -9.839 -1.488 6.052 1.00 0.00 C ATOM 767 C HIS A 53 -9.655 -0.586 7.268 1.00 0.00 C ATOM 768 O HIS A 53 -10.574 -0.410 8.068 1.00 0.00 O ATOM 769 CB HIS A 53 -10.539 -0.717 4.932 1.00 0.00 C ATOM 770 CG HIS A 53 -10.853 -1.557 3.733 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.974 -2.356 3.646 1.00 0.00 N ATOM 772 CD2 HIS A 53 -10.187 -1.719 2.566 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.983 -2.974 2.478 1.00 0.00 C ATOM 774 NE2 HIS A 53 -10.909 -2.604 1.803 1.00 0.00 N ATOM 0 H HIS A 53 -11.586 -2.646 6.127 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.856 -1.806 5.705 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.464 -0.290 5.319 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.907 0.117 4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.260 -1.241 2.286 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.739 -3.664 2.134 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.657 -2.924 0.868 1.00 0.00 H new ATOM 783 N SER A 54 -8.461 -0.017 7.402 1.00 0.00 N ATOM 784 CA SER A 54 -8.155 0.864 8.523 1.00 0.00 C ATOM 785 C SER A 54 -7.467 2.138 8.041 1.00 0.00 C ATOM 786 O SER A 54 -6.241 2.198 7.948 1.00 0.00 O ATOM 787 CB SER A 54 -7.264 0.142 9.536 1.00 0.00 C ATOM 788 OG SER A 54 -7.530 -1.249 9.550 1.00 0.00 O ATOM 0 H SER A 54 -7.690 -0.150 6.748 1.00 0.00 H new ATOM 0 HA SER A 54 -9.093 1.139 9.005 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.216 0.312 9.289 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.429 0.557 10.530 1.00 0.00 H new ATOM 0 HG SER A 54 -6.688 -1.742 9.640 1.00 0.00 H new ATOM 794 N LEU A 55 -8.267 3.154 7.737 1.00 0.00 N ATOM 795 CA LEU A 55 -7.737 4.429 7.264 1.00 0.00 C ATOM 796 C LEU A 55 -7.504 5.387 8.428 1.00 0.00 C ATOM 797 O LEU A 55 -8.453 5.869 9.048 1.00 0.00 O ATOM 798 CB LEU A 55 -8.698 5.059 6.254 1.00 0.00 C ATOM 799 CG LEU A 55 -8.801 4.359 4.899 1.00 0.00 C ATOM 800 CD1 LEU A 55 -9.221 2.908 5.079 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.781 5.091 3.994 1.00 0.00 C ATOM 0 H LEU A 55 -9.284 3.120 7.809 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.780 4.239 6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.692 5.092 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.390 6.091 6.085 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.819 4.376 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.289 2.425 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.483 2.389 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.192 2.869 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.842 4.579 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.766 5.105 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.438 6.114 3.839 1.00 0.00 H new ATOM 813 N ARG A 56 -6.237 5.659 8.719 1.00 0.00 N ATOM 814 CA ARG A 56 -5.879 6.561 9.807 1.00 0.00 C ATOM 815 C ARG A 56 -4.666 7.409 9.435 1.00 0.00 C ATOM 816 O ARG A 56 -3.742 6.931 8.778 1.00 0.00 O ATOM 817 CB ARG A 56 -5.587 5.765 11.081 1.00 0.00 C ATOM 818 CG ARG A 56 -4.626 4.607 10.869 1.00 0.00 C ATOM 819 CD ARG A 56 -4.712 3.597 12.002 1.00 0.00 C ATOM 820 NE ARG A 56 -3.525 2.750 12.072 1.00 0.00 N ATOM 821 CZ ARG A 56 -3.345 1.810 12.994 1.00 0.00 C ATOM 822 NH1 ARG A 56 -4.272 1.599 13.918 1.00 0.00 N ATOM 823 NH2 ARG A 56 -2.237 1.080 12.991 1.00 0.00 N ATOM 0 H ARG A 56 -5.440 5.268 8.216 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.723 7.226 9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.172 6.437 11.832 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.525 5.379 11.481 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.851 4.114 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.607 4.987 10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.838 4.124 12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.595 2.973 11.865 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.793 2.887 11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.125 2.159 13.922 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.132 0.877 14.625 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.523 1.240 12.281 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.100 0.359 13.699 1.00 0.00 H new ATOM 837 N GLN A 57 -4.679 8.668 9.860 1.00 0.00 N ATOM 838 CA GLN A 57 -3.581 9.583 9.569 1.00 0.00 C ATOM 839 C GLN A 57 -3.232 10.421 10.795 1.00 0.00 C ATOM 840 O GLN A 57 -4.081 10.671 11.650 1.00 0.00 O ATOM 841 CB GLN A 57 -3.946 10.497 8.399 1.00 0.00 C ATOM 842 CG GLN A 57 -4.676 11.762 8.820 1.00 0.00 C ATOM 843 CD GLN A 57 -5.492 12.367 7.694 1.00 0.00 C ATOM 844 OE1 GLN A 57 -6.702 12.158 7.607 1.00 0.00 O ATOM 845 NE2 GLN A 57 -4.831 13.122 6.824 1.00 0.00 N ATOM 0 H GLN A 57 -5.437 9.078 10.406 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.709 8.989 9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.036 10.773 7.867 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.570 9.944 7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.334 11.535 9.659 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.951 12.495 9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.828 13.268 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.327 13.556 6.045 1.00 0.00 H new ATOM 854 N ASP A 58 -1.978 10.851 10.873 1.00 0.00 N ATOM 855 CA ASP A 58 -1.516 11.662 11.994 1.00 0.00 C ATOM 856 C ASP A 58 -0.765 12.895 11.500 1.00 0.00 C ATOM 857 O ASP A 58 0.337 12.790 10.964 1.00 0.00 O ATOM 858 CB ASP A 58 -0.616 10.836 12.913 1.00 0.00 C ATOM 859 CG ASP A 58 -1.392 10.149 14.020 1.00 0.00 C ATOM 860 OD1 ASP A 58 -2.428 10.700 14.446 1.00 0.00 O ATOM 861 OD2 ASP A 58 -0.962 9.063 14.460 1.00 0.00 O ATOM 0 H ASP A 58 -1.263 10.652 10.174 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.390 11.992 12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.090 10.086 12.323 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.142 11.484 13.353 1.00 0.00 H new ATOM 866 N GLY A 59 -1.371 14.064 11.684 1.00 0.00 N ATOM 867 CA GLY A 59 -0.746 15.300 11.251 1.00 0.00 C ATOM 868 C GLY A 59 -0.546 15.353 9.749 1.00 0.00 C ATOM 869 O GLY A 59 -1.446 15.753 9.010 1.00 0.00 O ATOM 0 H GLY A 59 -2.284 14.177 12.125 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.362 16.144 11.562 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.218 15.409 11.747 1.00 0.00 H new ATOM 873 N SER A 60 0.637 14.950 9.296 1.00 0.00 N ATOM 874 CA SER A 60 0.953 14.959 7.873 1.00 0.00 C ATOM 875 C SER A 60 1.443 13.588 7.417 1.00 0.00 C ATOM 876 O SER A 60 2.156 13.471 6.420 1.00 0.00 O ATOM 877 CB SER A 60 2.015 16.019 7.572 1.00 0.00 C ATOM 878 OG SER A 60 1.715 17.241 8.222 1.00 0.00 O ATOM 0 H SER A 60 1.392 14.613 9.894 1.00 0.00 H new ATOM 0 HA SER A 60 0.042 15.201 7.325 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.992 15.661 7.896 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.076 16.181 6.496 1.00 0.00 H new ATOM 0 HG SER A 60 2.409 17.901 8.015 1.00 0.00 H new ATOM 884 N ARG A 61 1.055 12.553 8.155 1.00 0.00 N ATOM 885 CA ARG A 61 1.455 11.189 7.828 1.00 0.00 C ATOM 886 C ARG A 61 0.238 10.274 7.733 1.00 0.00 C ATOM 887 O ARG A 61 -0.337 9.882 8.749 1.00 0.00 O ATOM 888 CB ARG A 61 2.428 10.654 8.880 1.00 0.00 C ATOM 889 CG ARG A 61 3.398 9.616 8.341 1.00 0.00 C ATOM 890 CD ARG A 61 3.859 8.664 9.434 1.00 0.00 C ATOM 891 NE ARG A 61 2.961 7.522 9.580 1.00 0.00 N ATOM 892 CZ ARG A 61 2.892 6.777 10.678 1.00 0.00 C ATOM 893 NH1 ARG A 61 3.664 7.054 11.720 1.00 0.00 N ATOM 894 NH2 ARG A 61 2.050 5.754 10.735 1.00 0.00 N ATOM 0 H ARG A 61 0.464 12.633 8.983 1.00 0.00 H new ATOM 0 HA ARG A 61 1.952 11.205 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.995 11.487 9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.859 10.216 9.700 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.920 9.050 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.262 10.116 7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.863 8.308 9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.919 9.201 10.381 1.00 0.00 H new ATOM 0 HE ARG A 61 2.353 7.283 8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.312 7.840 11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.609 6.481 12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.455 5.538 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.998 5.183 11.578 1.00 0.00 H new ATOM 908 N CYS A 62 -0.149 9.938 6.507 1.00 0.00 N ATOM 909 CA CYS A 62 -1.299 9.070 6.279 1.00 0.00 C ATOM 910 C CYS A 62 -0.866 7.612 6.169 1.00 0.00 C ATOM 911 O CYS A 62 0.263 7.318 5.777 1.00 0.00 O ATOM 912 CB CYS A 62 -2.039 9.492 5.009 1.00 0.00 C ATOM 913 SG CYS A 62 -2.041 11.276 4.714 1.00 0.00 S ATOM 0 H CYS A 62 0.317 10.253 5.656 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.971 9.167 7.132 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.583 8.994 4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.070 9.143 5.069 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.285 11.548 3.692 1.00 0.00 H new ATOM 919 N GLU A 63 -1.770 6.703 6.520 1.00 0.00 N ATOM 920 CA GLU A 63 -1.480 5.275 6.462 1.00 0.00 C ATOM 921 C GLU A 63 -2.764 4.464 6.314 1.00 0.00 C ATOM 922 O GLU A 63 -3.690 4.595 7.115 1.00 0.00 O ATOM 923 CB GLU A 63 -0.727 4.835 7.720 1.00 0.00 C ATOM 924 CG GLU A 63 -0.080 3.465 7.593 1.00 0.00 C ATOM 925 CD GLU A 63 0.577 3.010 8.881 1.00 0.00 C ATOM 926 OE1 GLU A 63 1.762 3.340 9.093 1.00 0.00 O ATOM 927 OE2 GLU A 63 -0.096 2.322 9.678 1.00 0.00 O ATOM 0 H GLU A 63 -2.709 6.930 6.847 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.854 5.092 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.043 5.572 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.419 4.825 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.835 2.737 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.666 3.492 6.798 1.00 0.00 H new ATOM 934 N LEU A 64 -2.812 3.627 5.284 1.00 0.00 N ATOM 935 CA LEU A 64 -3.982 2.794 5.029 1.00 0.00 C ATOM 936 C LEU A 64 -3.678 1.327 5.314 1.00 0.00 C ATOM 937 O LEU A 64 -2.521 0.908 5.297 1.00 0.00 O ATOM 938 CB LEU A 64 -4.443 2.959 3.580 1.00 0.00 C ATOM 939 CG LEU A 64 -5.237 1.792 2.991 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.637 1.746 3.582 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.300 1.900 1.475 1.00 0.00 C ATOM 0 H LEU A 64 -2.054 3.507 4.612 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.780 3.117 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.055 3.858 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.564 3.126 2.957 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.726 0.864 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.187 0.909 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.572 1.619 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.158 2.677 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.869 1.061 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.787 2.835 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.290 1.882 1.067 1.00 0.00 H new ATOM 953 N GLN A 65 -4.726 0.551 5.574 1.00 0.00 N ATOM 954 CA GLN A 65 -4.570 -0.871 5.861 1.00 0.00 C ATOM 955 C GLN A 65 -5.689 -1.682 5.215 1.00 0.00 C ATOM 956 O GLN A 65 -6.829 -1.224 5.126 1.00 0.00 O ATOM 957 CB GLN A 65 -4.558 -1.109 7.372 1.00 0.00 C ATOM 958 CG GLN A 65 -4.095 -2.502 7.764 1.00 0.00 C ATOM 959 CD GLN A 65 -4.072 -2.709 9.266 1.00 0.00 C ATOM 960 OE1 GLN A 65 -5.002 -3.275 9.840 1.00 0.00 O ATOM 961 NE2 GLN A 65 -3.006 -2.250 9.911 1.00 0.00 N ATOM 0 H GLN A 65 -5.691 0.882 5.592 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.619 -1.199 5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.906 -0.373 7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.561 -0.944 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.755 -3.241 7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.097 -2.675 7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.258 -1.787 9.395 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.935 -2.361 10.923 1.00 0.00 H new ATOM 970 N ILE A 66 -5.356 -2.887 4.767 1.00 0.00 N ATOM 971 CA ILE A 66 -6.333 -3.762 4.130 1.00 0.00 C ATOM 972 C ILE A 66 -6.233 -5.184 4.672 1.00 0.00 C ATOM 973 O ILE A 66 -5.512 -6.018 4.125 1.00 0.00 O ATOM 974 CB ILE A 66 -6.150 -3.793 2.601 1.00 0.00 C ATOM 975 CG1 ILE A 66 -6.242 -2.378 2.026 1.00 0.00 C ATOM 976 CG2 ILE A 66 -7.190 -4.700 1.961 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.831 -2.289 0.573 1.00 0.00 C ATOM 0 H ILE A 66 -4.417 -3.280 4.833 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.318 -3.356 4.361 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.161 -4.193 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.266 -2.019 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.611 -1.713 2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.047 -4.711 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.081 -5.712 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.188 -4.328 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.921 -1.258 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.797 -2.617 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.478 -2.928 -0.028 1.00 0.00 H new ATOM 989 N ARG A 67 -6.964 -5.453 5.749 1.00 0.00 N ATOM 990 CA ARG A 67 -6.959 -6.775 6.364 1.00 0.00 C ATOM 991 C ARG A 67 -7.342 -7.849 5.350 1.00 0.00 C ATOM 992 O ARG A 67 -8.174 -7.620 4.473 1.00 0.00 O ATOM 993 CB ARG A 67 -7.923 -6.812 7.552 1.00 0.00 C ATOM 994 CG ARG A 67 -7.473 -7.735 8.673 1.00 0.00 C ATOM 995 CD ARG A 67 -8.010 -9.145 8.483 1.00 0.00 C ATOM 996 NE ARG A 67 -7.331 -10.110 9.343 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.404 -11.425 9.172 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.121 -11.929 8.178 1.00 0.00 N ATOM 999 NH2 ARG A 67 -6.757 -12.239 9.997 1.00 0.00 N ATOM 0 H ARG A 67 -7.567 -4.774 6.213 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.949 -6.979 6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.038 -5.803 7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.905 -7.131 7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.384 -7.761 8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.814 -7.340 9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.079 -9.158 8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.890 -9.441 7.441 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.770 -9.755 10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.619 -11.307 7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.175 -12.939 8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.203 -11.855 10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.813 -13.249 9.865 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.729 -9.022 5.478 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.019 -10.113 4.566 1.00 0.00 C ATOM 1015 C GLY A 68 -6.787 -9.734 3.116 1.00 0.00 C ATOM 1016 O GLY A 68 -7.739 -9.546 2.356 1.00 0.00 O ATOM 0 H GLY A 68 -6.037 -9.236 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.394 -10.970 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.055 -10.425 4.695 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.521 -9.620 2.731 1.00 0.00 N ATOM 1021 CA LEU A 69 -5.167 -9.259 1.363 1.00 0.00 C ATOM 1022 C LEU A 69 -5.666 -10.310 0.376 1.00 0.00 C ATOM 1023 O LEU A 69 -6.206 -11.341 0.773 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.652 -9.099 1.232 1.00 0.00 C ATOM 1025 CG LEU A 69 -3.093 -7.713 1.558 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.598 -7.790 1.826 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.383 -6.741 0.424 1.00 0.00 C ATOM 0 H LEU A 69 -4.722 -9.772 3.347 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.648 -8.309 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.172 -9.826 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.367 -9.353 0.211 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.585 -7.347 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.218 -6.795 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.414 -8.453 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.090 -8.177 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.978 -5.760 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.918 -7.103 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.460 -6.663 0.279 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.478 -10.041 -0.912 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.905 -10.965 -1.955 1.00 0.00 C ATOM 1041 C ALA A 70 -5.276 -10.606 -3.297 1.00 0.00 C ATOM 1042 O ALA A 70 -5.024 -9.435 -3.582 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.422 -10.973 -2.065 1.00 0.00 C ATOM 0 H ALA A 70 -5.033 -9.191 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.567 -11.965 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.726 -11.668 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.854 -11.286 -1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.774 -9.971 -2.312 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.026 -11.621 -4.119 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.427 -11.411 -5.432 1.00 0.00 C ATOM 1051 C VAL A 71 -5.095 -10.252 -6.162 1.00 0.00 C ATOM 1052 O VAL A 71 -4.433 -9.467 -6.840 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.527 -12.678 -6.302 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -3.835 -12.463 -7.640 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -3.935 -13.874 -5.572 1.00 0.00 C ATOM 0 H VAL A 71 -5.229 -12.596 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.376 -11.174 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.580 -12.884 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.916 -13.369 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.310 -11.635 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.783 -12.231 -7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.014 -14.760 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.886 -13.681 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.480 -14.039 -4.643 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.413 -10.149 -6.018 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.172 -9.084 -6.662 1.00 0.00 C ATOM 1067 C VAL A 72 -6.848 -7.728 -6.046 1.00 0.00 C ATOM 1068 O VAL A 72 -6.886 -6.701 -6.724 1.00 0.00 O ATOM 1069 CB VAL A 72 -8.688 -9.334 -6.559 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.056 -10.661 -7.205 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.136 -9.297 -5.105 1.00 0.00 C ATOM 0 H VAL A 72 -6.977 -10.791 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.883 -9.080 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.207 -8.540 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.131 -10.820 -7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.771 -10.645 -8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.529 -11.470 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.210 -9.476 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.611 -10.069 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.909 -8.320 -4.679 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.529 -7.732 -4.756 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.196 -6.502 -4.047 1.00 0.00 C ATOM 1083 C ASP A 73 -4.965 -5.839 -4.658 1.00 0.00 C ATOM 1084 O ASP A 73 -4.845 -4.614 -4.660 1.00 0.00 O ATOM 1085 CB ASP A 73 -5.953 -6.792 -2.565 1.00 0.00 C ATOM 1086 CG ASP A 73 -6.313 -5.616 -1.679 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -7.409 -5.047 -1.865 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -5.500 -5.265 -0.799 1.00 0.00 O ATOM 0 H ASP A 73 -6.494 -8.573 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.039 -5.818 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.540 -7.661 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.904 -7.049 -2.415 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.053 -6.656 -5.173 1.00 0.00 N ATOM 1094 CA ALA A 74 -2.832 -6.149 -5.787 1.00 0.00 C ATOM 1095 C ALA A 74 -3.136 -5.415 -7.089 1.00 0.00 C ATOM 1096 O ALA A 74 -3.234 -6.029 -8.151 1.00 0.00 O ATOM 1097 CB ALA A 74 -1.855 -7.288 -6.037 1.00 0.00 C ATOM 0 H ALA A 74 -4.136 -7.673 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.376 -5.438 -5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.948 -6.895 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.605 -7.767 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.312 -8.019 -6.704 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.286 -4.097 -6.998 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.578 -3.301 -8.176 1.00 0.00 C ATOM 1105 C GLY A 75 -2.918 -1.937 -8.133 1.00 0.00 C ATOM 1106 O GLY A 75 -1.697 -1.835 -8.020 1.00 0.00 O ATOM 0 H GLY A 75 -3.211 -3.567 -6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.242 -3.836 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.657 -3.176 -8.268 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.728 -0.887 -8.225 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.214 0.477 -8.198 1.00 0.00 C ATOM 1112 C GLU A 76 -3.942 1.313 -7.149 1.00 0.00 C ATOM 1113 O GLU A 76 -5.108 1.670 -7.324 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.359 1.128 -9.575 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.974 2.598 -9.597 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.576 3.076 -10.980 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -1.827 2.348 -11.666 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -3.012 4.176 -11.377 1.00 0.00 O ATOM 0 H GLU A 76 -4.741 -0.955 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.157 0.434 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.738 0.588 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.392 1.027 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.812 3.195 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.146 2.763 -8.907 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.248 1.620 -6.059 1.00 0.00 N ATOM 1126 CA TYR A 77 -3.828 2.410 -4.980 1.00 0.00 C ATOM 1127 C TYR A 77 -3.393 3.869 -5.078 1.00 0.00 C ATOM 1128 O TYR A 77 -2.201 4.170 -5.143 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.421 1.835 -3.622 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.055 0.496 -3.317 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -5.323 0.419 -2.753 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -3.387 -0.690 -3.591 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -5.906 -0.801 -2.471 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -3.963 -1.915 -3.315 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.222 -1.965 -2.754 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.799 -3.183 -2.476 1.00 0.00 O ATOM 0 H TYR A 77 -2.282 1.333 -5.899 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.913 2.366 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.337 1.729 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.694 2.544 -2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.862 1.329 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.400 -0.654 -4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.892 -0.843 -2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.431 -2.828 -3.537 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.622 -3.804 -3.213 1.00 0.00 H new ATOM 1146 N SER A 78 -4.369 4.771 -5.088 1.00 0.00 N ATOM 1147 CA SER A 78 -4.088 6.199 -5.181 1.00 0.00 C ATOM 1148 C SER A 78 -4.618 6.938 -3.955 1.00 0.00 C ATOM 1149 O SER A 78 -5.634 6.552 -3.376 1.00 0.00 O ATOM 1150 CB SER A 78 -4.713 6.781 -6.450 1.00 0.00 C ATOM 1151 OG SER A 78 -4.200 6.146 -7.609 1.00 0.00 O ATOM 0 H SER A 78 -5.361 4.539 -5.033 1.00 0.00 H new ATOM 0 HA SER A 78 -3.007 6.330 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.796 6.660 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.513 7.851 -6.499 1.00 0.00 H new ATOM 0 HG SER A 78 -4.616 6.535 -8.406 1.00 0.00 H new ATOM 1157 N CYS A 79 -3.922 8.001 -3.567 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.320 8.794 -2.410 1.00 0.00 C ATOM 1159 C CYS A 79 -4.524 10.255 -2.796 1.00 0.00 C ATOM 1160 O CYS A 79 -3.562 10.981 -3.052 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.267 8.688 -1.306 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.713 9.542 0.224 1.00 0.00 S ATOM 0 H CYS A 79 -3.080 8.333 -4.037 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.266 8.400 -2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.093 7.635 -1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.326 9.095 -1.676 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.651 9.702 0.957 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.782 10.681 -2.839 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.113 12.056 -3.195 1.00 0.00 C ATOM 1170 C VAL A 80 -6.109 12.958 -1.967 1.00 0.00 C ATOM 1171 O VAL A 80 -7.071 12.982 -1.198 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.491 12.143 -3.878 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.683 13.508 -4.520 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -7.646 11.034 -4.908 1.00 0.00 C ATOM 0 H VAL A 80 -6.590 10.093 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.348 12.395 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.262 12.013 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.662 13.551 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.618 14.282 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.907 13.671 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.625 11.111 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.869 11.130 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.555 10.065 -4.416 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.021 13.699 -1.788 1.00 0.00 N ATOM 1185 CA CYS A 81 -4.891 14.605 -0.651 1.00 0.00 C ATOM 1186 C CYS A 81 -5.777 15.833 -0.830 1.00 0.00 C ATOM 1187 O CYS A 81 -6.409 16.299 0.117 1.00 0.00 O ATOM 1188 CB CYS A 81 -3.433 15.033 -0.478 1.00 0.00 C ATOM 1189 SG CYS A 81 -2.686 15.729 -1.971 1.00 0.00 S ATOM 0 H CYS A 81 -4.216 13.691 -2.415 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.215 14.074 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.375 15.771 0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.848 14.170 -0.160 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.411 16.984 -1.774 1.00 0.00 H new ATOM 1195 N GLY A 82 -5.817 16.355 -2.053 1.00 0.00 N ATOM 1196 CA GLY A 82 -6.627 17.525 -2.333 1.00 0.00 C ATOM 1197 C GLY A 82 -6.483 18.000 -3.766 1.00 0.00 C ATOM 1198 O GLY A 82 -7.351 17.746 -4.600 1.00 0.00 O ATOM 0 H GLY A 82 -5.303 15.988 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.674 17.295 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.343 18.331 -1.656 1.00 0.00 H new ATOM 1202 N GLN A 83 -5.385 18.693 -4.050 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.132 19.207 -5.391 1.00 0.00 C ATOM 1204 C GLN A 83 -4.432 18.161 -6.252 1.00 0.00 C ATOM 1205 O GLN A 83 -4.645 18.095 -7.461 1.00 0.00 O ATOM 1206 CB GLN A 83 -4.285 20.479 -5.322 1.00 0.00 C ATOM 1207 CG GLN A 83 -4.407 21.359 -6.555 1.00 0.00 C ATOM 1208 CD GLN A 83 -5.744 22.071 -6.633 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -6.611 21.884 -5.778 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -5.918 22.893 -7.661 1.00 0.00 N ATOM 0 H GLN A 83 -4.657 18.911 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.092 19.444 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.580 21.055 -4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.240 20.202 -5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.606 22.098 -6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.272 20.748 -7.448 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.173 23.018 -8.346 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.797 23.400 -7.766 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.594 17.345 -5.618 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.861 16.303 -6.328 1.00 0.00 C ATOM 1221 C GLU A 84 -3.383 14.919 -5.952 1.00 0.00 C ATOM 1222 O GLU A 84 -4.315 14.790 -5.157 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.366 16.398 -6.016 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.675 17.564 -6.702 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.383 17.291 -8.165 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -1.289 16.797 -8.869 1.00 0.00 O ATOM 1227 OE2 GLU A 84 0.751 17.572 -8.606 1.00 0.00 O ATOM 0 H GLU A 84 -3.407 17.386 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.012 16.452 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.233 16.491 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.881 15.470 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.302 18.452 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.259 17.784 -6.184 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.776 13.888 -6.529 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.180 12.513 -6.257 1.00 0.00 C ATOM 1236 C ARG A 85 -2.082 11.534 -6.661 1.00 0.00 C ATOM 1237 O ARG A 85 -1.801 11.353 -7.847 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.474 12.182 -7.004 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.757 10.692 -7.100 1.00 0.00 C ATOM 1240 CD ARG A 85 -5.874 10.400 -8.090 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.451 10.617 -9.471 1.00 0.00 N ATOM 1242 CZ ARG A 85 -6.158 10.225 -10.525 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -7.315 9.601 -10.358 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -5.707 10.459 -11.751 1.00 0.00 N ATOM 0 H ARG A 85 -2.003 13.978 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.352 12.416 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.309 12.670 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.420 12.599 -8.010 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.852 10.168 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.031 10.308 -6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.205 9.368 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.730 11.037 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.565 11.095 -9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.666 9.420 -9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.855 9.302 -11.170 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.817 10.940 -11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.250 10.158 -12.560 1.00 0.00 H new ATOM 1258 N THR A 86 -1.464 10.903 -5.668 1.00 0.00 N ATOM 1259 CA THR A 86 -0.396 9.944 -5.919 1.00 0.00 C ATOM 1260 C THR A 86 -0.961 8.578 -6.293 1.00 0.00 C ATOM 1261 O THR A 86 -2.169 8.355 -6.221 1.00 0.00 O ATOM 1262 CB THR A 86 0.520 9.789 -4.690 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.558 8.843 -4.969 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.275 9.333 -3.476 1.00 0.00 C ATOM 0 H THR A 86 -1.685 11.039 -4.682 1.00 0.00 H new ATOM 0 HA THR A 86 0.189 10.333 -6.752 1.00 0.00 H new ATOM 0 HB THR A 86 0.963 10.760 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.402 9.161 -4.585 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.393 9.231 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.046 10.069 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.743 8.372 -3.688 1.00 0.00 H new ATOM 1272 N SER A 87 -0.078 7.667 -6.692 1.00 0.00 N ATOM 1273 CA SER A 87 -0.490 6.323 -7.080 1.00 0.00 C ATOM 1274 C SER A 87 0.669 5.340 -6.946 1.00 0.00 C ATOM 1275 O SER A 87 1.834 5.716 -7.075 1.00 0.00 O ATOM 1276 CB SER A 87 -1.010 6.323 -8.519 1.00 0.00 C ATOM 1277 OG SER A 87 -0.032 6.820 -9.415 1.00 0.00 O ATOM 0 H SER A 87 0.926 7.835 -6.755 1.00 0.00 H new ATOM 0 HA SER A 87 -1.291 6.007 -6.411 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.291 5.310 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.911 6.934 -8.583 1.00 0.00 H new ATOM 0 HG SER A 87 -0.388 6.808 -10.328 1.00 0.00 H new ATOM 1283 N ALA A 88 0.340 4.079 -6.686 1.00 0.00 N ATOM 1284 CA ALA A 88 1.351 3.041 -6.536 1.00 0.00 C ATOM 1285 C ALA A 88 0.763 1.659 -6.797 1.00 0.00 C ATOM 1286 O ALA A 88 -0.418 1.417 -6.544 1.00 0.00 O ATOM 1287 CB ALA A 88 1.967 3.101 -5.146 1.00 0.00 C ATOM 0 H ALA A 88 -0.620 3.752 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 88 2.132 3.220 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.721 2.320 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.432 4.075 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.190 2.951 -4.397 1.00 0.00 H new ATOM 1293 N THR A 89 1.593 0.753 -7.304 1.00 0.00 N ATOM 1294 CA THR A 89 1.154 -0.605 -7.601 1.00 0.00 C ATOM 1295 C THR A 89 1.413 -1.537 -6.423 1.00 0.00 C ATOM 1296 O THR A 89 2.518 -1.573 -5.878 1.00 0.00 O ATOM 1297 CB THR A 89 1.862 -1.164 -8.849 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.828 -0.198 -9.906 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.203 -2.454 -9.313 1.00 0.00 C ATOM 0 H THR A 89 2.574 0.935 -7.518 1.00 0.00 H new ATOM 0 HA THR A 89 0.082 -0.556 -7.792 1.00 0.00 H new ATOM 0 HB THR A 89 2.898 -1.378 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.282 -0.561 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.720 -2.830 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.257 -3.197 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.159 -2.261 -9.559 1.00 0.00 H new ATOM 1307 N LEU A 90 0.391 -2.290 -6.034 1.00 0.00 N ATOM 1308 CA LEU A 90 0.509 -3.224 -4.919 1.00 0.00 C ATOM 1309 C LEU A 90 0.561 -4.664 -5.419 1.00 0.00 C ATOM 1310 O LEU A 90 -0.283 -5.090 -6.208 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.666 -3.048 -3.955 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.614 -3.885 -2.676 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -1.339 -3.174 -1.544 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.216 -5.262 -2.915 1.00 0.00 C ATOM 0 H LEU A 90 -0.529 -2.273 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 90 1.439 -3.008 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.727 -1.996 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.586 -3.290 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 90 0.430 -4.012 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.292 -3.784 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.864 -2.211 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.381 -3.017 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.171 -5.844 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.255 -5.156 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.654 -5.774 -3.696 1.00 0.00 H new ATOM 1326 N THR A 91 1.556 -5.411 -4.952 1.00 0.00 N ATOM 1327 CA THR A 91 1.718 -6.804 -5.350 1.00 0.00 C ATOM 1328 C THR A 91 1.293 -7.748 -4.232 1.00 0.00 C ATOM 1329 O THR A 91 1.568 -7.500 -3.058 1.00 0.00 O ATOM 1330 CB THR A 91 3.177 -7.111 -5.739 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.601 -6.229 -6.784 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.322 -8.555 -6.196 1.00 0.00 C ATOM 0 H THR A 91 2.262 -5.075 -4.297 1.00 0.00 H new ATOM 0 HA THR A 91 1.077 -6.961 -6.218 1.00 0.00 H new ATOM 0 HB THR A 91 3.804 -6.960 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.530 -6.429 -7.024 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.360 -8.749 -6.466 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.026 -9.224 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.684 -8.728 -7.062 1.00 0.00 H new ATOM 1340 N VAL A 92 0.621 -8.833 -4.604 1.00 0.00 N ATOM 1341 CA VAL A 92 0.159 -9.817 -3.631 1.00 0.00 C ATOM 1342 C VAL A 92 0.476 -11.235 -4.091 1.00 0.00 C ATOM 1343 O VAL A 92 -0.284 -11.838 -4.849 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.357 -9.695 -3.387 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.805 -10.674 -2.313 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.722 -8.268 -3.006 1.00 0.00 C ATOM 0 H VAL A 92 0.384 -9.053 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 92 0.687 -9.614 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.878 -9.944 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.879 -10.574 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.579 -11.692 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.279 -10.459 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.797 -8.200 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.193 -7.988 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.438 -7.592 -3.813 1.00 0.00 H new ATOM 1356 N ARG A 93 1.604 -11.763 -3.627 1.00 0.00 N ATOM 1357 CA ARG A 93 2.023 -13.111 -3.991 1.00 0.00 C ATOM 1358 C ARG A 93 1.081 -14.153 -3.395 1.00 0.00 C ATOM 1359 O ARG A 93 1.053 -14.358 -2.182 1.00 0.00 O ATOM 1360 CB ARG A 93 3.454 -13.370 -3.514 1.00 0.00 C ATOM 1361 CG ARG A 93 4.467 -12.377 -4.060 1.00 0.00 C ATOM 1362 CD ARG A 93 5.057 -12.852 -5.379 1.00 0.00 C ATOM 1363 NE ARG A 93 6.042 -13.913 -5.188 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.387 -14.775 -6.138 1.00 0.00 C ATOM 1365 NH1 ARG A 93 5.831 -14.701 -7.339 1.00 0.00 N ATOM 1366 NH2 ARG A 93 7.292 -15.713 -5.887 1.00 0.00 N ATOM 0 H ARG A 93 2.244 -11.278 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 93 1.988 -13.194 -5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.476 -13.337 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.750 -14.377 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.988 -11.408 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.266 -12.234 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.257 -13.213 -6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.525 -12.011 -5.890 1.00 0.00 H new ATOM 0 HE ARG A 93 6.490 -13.997 -4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.136 -13.981 -7.536 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.098 -15.364 -8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.723 -15.772 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.557 -16.375 -6.617 1.00 0.00 H new ATOM 1380 N ALA A 94 0.310 -14.808 -4.258 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.633 -15.829 -3.817 1.00 0.00 C ATOM 1382 C ALA A 94 0.043 -16.839 -2.896 1.00 0.00 C ATOM 1383 O ALA A 94 1.126 -17.343 -3.199 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.246 -16.534 -5.018 1.00 0.00 C ATOM 0 H ALA A 94 0.320 -14.650 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.426 -15.338 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.948 -17.294 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.772 -15.807 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.458 -17.007 -5.604 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.600 -17.130 -1.771 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.061 -18.080 -0.805 1.00 0.00 C ATOM 1392 C LEU A 95 0.095 -19.463 -1.429 1.00 0.00 C ATOM 1393 O LEU A 95 -0.587 -19.817 -2.392 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.971 -18.162 0.422 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.785 -17.063 1.469 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -2.019 -16.953 2.352 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.453 -17.332 2.312 1.00 0.00 C ATOM 0 H LEU A 95 -1.496 -16.721 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 95 0.923 -17.727 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.007 -18.142 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.812 -19.126 0.904 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.648 -16.114 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.869 -16.166 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.886 -16.712 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.188 -17.902 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.569 -16.540 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.346 -18.290 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.332 -17.359 1.669 1.00 0.00 H new ATOM 1409 N PRO A 96 1.012 -20.266 -0.869 1.00 0.00 N ATOM 1410 CA PRO A 96 1.277 -21.624 -1.353 1.00 0.00 C ATOM 1411 C PRO A 96 0.123 -22.577 -1.064 1.00 0.00 C ATOM 1412 O PRO A 96 -0.774 -22.263 -0.282 1.00 0.00 O ATOM 1413 CB PRO A 96 2.525 -22.042 -0.572 1.00 0.00 C ATOM 1414 CG PRO A 96 2.487 -21.220 0.670 1.00 0.00 C ATOM 1415 CD PRO A 96 1.861 -19.909 0.280 1.00 0.00 C ATOM 0 HA PRO A 96 1.406 -21.654 -2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.510 -23.107 -0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.433 -21.852 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.905 -21.714 1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.490 -21.070 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.276 -19.485 1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.614 -19.169 0.009 1.00 0.00 H new ATOM 1423 N ALA A 97 0.152 -23.744 -1.700 1.00 0.00 N ATOM 1424 CA ALA A 97 -0.891 -24.745 -1.509 1.00 0.00 C ATOM 1425 C ALA A 97 -0.474 -25.781 -0.470 1.00 0.00 C ATOM 1426 O ALA A 97 0.456 -26.557 -0.693 1.00 0.00 O ATOM 1427 CB ALA A 97 -1.221 -25.422 -2.830 1.00 0.00 C ATOM 0 H ALA A 97 0.886 -24.019 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.783 -24.239 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.001 -26.167 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.571 -24.676 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.328 -25.909 -3.222 1.00 0.00 H new ATOM 1433 N ARG A 98 -1.166 -25.787 0.664 1.00 0.00 N ATOM 1434 CA ARG A 98 -0.866 -26.726 1.738 1.00 0.00 C ATOM 1435 C ARG A 98 -1.872 -27.873 1.754 1.00 0.00 C ATOM 1436 O ARG A 98 -2.283 -28.338 2.817 1.00 0.00 O ATOM 1437 CB ARG A 98 -0.872 -26.009 3.089 1.00 0.00 C ATOM 1438 CG ARG A 98 0.481 -25.441 3.483 1.00 0.00 C ATOM 1439 CD ARG A 98 0.518 -25.061 4.955 1.00 0.00 C ATOM 1440 NE ARG A 98 1.874 -24.761 5.409 1.00 0.00 N ATOM 1441 CZ ARG A 98 2.144 -23.995 6.460 1.00 0.00 C ATOM 1442 NH1 ARG A 98 1.158 -23.453 7.161 1.00 0.00 N ATOM 1443 NH2 ARG A 98 3.404 -23.769 6.811 1.00 0.00 N ATOM 0 H ARG A 98 -1.939 -25.152 0.863 1.00 0.00 H new ATOM 0 HA ARG A 98 0.127 -27.139 1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.601 -25.199 3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.202 -26.706 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.259 -26.175 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.700 -24.564 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.120 -24.193 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.109 -25.877 5.550 1.00 0.00 H new ATOM 0 HE ARG A 98 2.656 -25.162 4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.189 -23.624 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.369 -22.865 7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.165 -24.184 6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.611 -23.181 7.618 1.00 0.00 H new ATOM 1457 N PHE A 99 -2.265 -28.325 0.567 1.00 0.00 N ATOM 1458 CA PHE A 99 -3.225 -29.416 0.445 1.00 0.00 C ATOM 1459 C PHE A 99 -2.509 -30.759 0.324 1.00 0.00 C ATOM 1460 O PHE A 99 -1.638 -30.935 -0.529 1.00 0.00 O ATOM 1461 CB PHE A 99 -4.128 -29.196 -0.771 1.00 0.00 C ATOM 1462 CG PHE A 99 -5.119 -30.303 -0.990 1.00 0.00 C ATOM 1463 CD1 PHE A 99 -6.222 -30.436 -0.162 1.00 0.00 C ATOM 1464 CD2 PHE A 99 -4.948 -31.209 -2.023 1.00 0.00 C ATOM 1465 CE1 PHE A 99 -7.135 -31.454 -0.361 1.00 0.00 C ATOM 1466 CE2 PHE A 99 -5.858 -32.229 -2.227 1.00 0.00 C ATOM 1467 CZ PHE A 99 -6.954 -32.351 -1.396 1.00 0.00 C ATOM 0 H PHE A 99 -1.934 -27.953 -0.323 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.838 -29.430 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.666 -28.256 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.507 -29.094 -1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.370 -29.737 0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.093 -31.118 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.990 -31.548 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.712 -32.930 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.668 -33.146 -1.555 1.00 0.00 H new ATOM 1477 N ILE A 100 -2.882 -31.701 1.183 1.00 0.00 N ATOM 1478 CA ILE A 100 -2.276 -33.027 1.172 1.00 0.00 C ATOM 1479 C ILE A 100 -2.624 -33.779 -0.107 1.00 0.00 C ATOM 1480 O ILE A 100 -3.780 -33.806 -0.528 1.00 0.00 O ATOM 1481 CB ILE A 100 -2.729 -33.862 2.385 1.00 0.00 C ATOM 1482 CG1 ILE A 100 -1.981 -35.196 2.420 1.00 0.00 C ATOM 1483 CG2 ILE A 100 -4.232 -34.092 2.339 1.00 0.00 C ATOM 1484 CD1 ILE A 100 -2.117 -35.930 3.736 1.00 0.00 C ATOM 0 H ILE A 100 -3.601 -31.571 1.895 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.197 -32.882 1.223 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.494 -33.311 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.353 -35.833 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.925 -35.016 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.536 -34.683 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.748 -33.132 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.491 -34.626 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.562 -36.867 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.719 -35.312 4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.169 -36.141 3.928 1.00 0.00 H new ATOM 1496 N GLU A 101 -1.616 -34.391 -0.720 1.00 0.00 N ATOM 1497 CA GLU A 101 -1.816 -35.146 -1.952 1.00 0.00 C ATOM 1498 C GLU A 101 -1.418 -36.607 -1.766 1.00 0.00 C ATOM 1499 O GLU A 101 -2.178 -37.516 -2.099 1.00 0.00 O ATOM 1500 CB GLU A 101 -1.006 -34.527 -3.093 1.00 0.00 C ATOM 1501 CG GLU A 101 -1.452 -33.122 -3.464 1.00 0.00 C ATOM 1502 CD GLU A 101 -0.331 -32.292 -4.057 1.00 0.00 C ATOM 1503 OE1 GLU A 101 -0.031 -32.471 -5.256 1.00 0.00 O ATOM 1504 OE2 GLU A 101 0.247 -31.463 -3.323 1.00 0.00 O ATOM 0 H GLU A 101 -0.653 -34.379 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.876 -35.105 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 101 0.046 -34.502 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.083 -35.168 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.272 -33.182 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.839 -32.622 -2.577 1.00 0.00 H new ATOM 1511 N SER A 102 -0.220 -36.825 -1.231 1.00 0.00 N ATOM 1512 CA SER A 102 0.282 -38.175 -1.004 1.00 0.00 C ATOM 1513 C SER A 102 -0.801 -39.062 -0.396 1.00 0.00 C ATOM 1514 O SER A 102 -1.389 -38.727 0.632 1.00 0.00 O ATOM 1515 CB SER A 102 1.504 -38.139 -0.084 1.00 0.00 C ATOM 1516 OG SER A 102 1.145 -37.734 1.226 1.00 0.00 O ATOM 0 H SER A 102 0.420 -36.084 -0.947 1.00 0.00 H new ATOM 0 HA SER A 102 0.573 -38.595 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.966 -39.126 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.248 -37.453 -0.489 1.00 0.00 H new ATOM 0 HG SER A 102 0.188 -37.892 1.367 1.00 0.00 H new ATOM 1522 N GLY A 103 -1.059 -40.196 -1.040 1.00 0.00 N ATOM 1523 CA GLY A 103 -2.070 -41.114 -0.550 1.00 0.00 C ATOM 1524 C GLY A 103 -1.510 -42.118 0.438 1.00 0.00 C ATOM 1525 O GLY A 103 -0.487 -41.885 1.082 1.00 0.00 O ATOM 0 H GLY A 103 -0.586 -40.495 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.871 -40.548 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.513 -41.646 -1.392 1.00 0.00 H new ATOM 1529 N PRO A 104 -2.191 -43.266 0.571 1.00 0.00 N ATOM 1530 CA PRO A 104 -1.775 -44.332 1.488 1.00 0.00 C ATOM 1531 C PRO A 104 -0.500 -45.028 1.026 1.00 0.00 C ATOM 1532 O PRO A 104 -0.478 -45.677 -0.020 1.00 0.00 O ATOM 1533 CB PRO A 104 -2.956 -45.306 1.459 1.00 0.00 C ATOM 1534 CG PRO A 104 -3.606 -45.074 0.138 1.00 0.00 C ATOM 1535 CD PRO A 104 -3.419 -43.613 -0.164 1.00 0.00 C ATOM 0 HA PRO A 104 -1.546 -43.948 2.482 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.620 -46.338 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.647 -45.114 2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.151 -45.694 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.664 -45.333 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.311 -43.435 -1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.270 -43.021 0.173 1.00 0.00 H new ATOM 1543 N SER A 105 0.563 -44.890 1.813 1.00 0.00 N ATOM 1544 CA SER A 105 1.844 -45.503 1.483 1.00 0.00 C ATOM 1545 C SER A 105 1.680 -46.997 1.223 1.00 0.00 C ATOM 1546 O SER A 105 1.558 -47.791 2.155 1.00 0.00 O ATOM 1547 CB SER A 105 2.847 -45.278 2.616 1.00 0.00 C ATOM 1548 OG SER A 105 2.309 -45.683 3.863 1.00 0.00 O ATOM 0 H SER A 105 0.562 -44.359 2.684 1.00 0.00 H new ATOM 0 HA SER A 105 2.221 -45.033 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.761 -45.836 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.120 -44.224 2.660 1.00 0.00 H new ATOM 0 HG SER A 105 1.852 -46.544 3.758 1.00 0.00 H new ATOM 1554 N SER A 106 1.677 -47.372 -0.052 1.00 0.00 N ATOM 1555 CA SER A 106 1.525 -48.770 -0.437 1.00 0.00 C ATOM 1556 C SER A 106 2.433 -49.667 0.399 1.00 0.00 C ATOM 1557 O SER A 106 2.013 -50.717 0.883 1.00 0.00 O ATOM 1558 CB SER A 106 1.840 -48.949 -1.924 1.00 0.00 C ATOM 1559 OG SER A 106 1.441 -50.230 -2.379 1.00 0.00 O ATOM 0 H SER A 106 1.778 -46.727 -0.836 1.00 0.00 H new ATOM 0 HA SER A 106 0.490 -49.060 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.330 -48.179 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.909 -48.817 -2.091 1.00 0.00 H new ATOM 0 HG SER A 106 1.652 -50.319 -3.332 1.00 0.00 H new ATOM 1565 N GLY A 107 3.683 -49.243 0.564 1.00 0.00 N ATOM 1566 CA GLY A 107 4.632 -50.018 1.341 1.00 0.00 C ATOM 1567 C GLY A 107 5.339 -49.184 2.391 1.00 0.00 C ATOM 1568 O GLY A 107 4.772 -48.886 3.442 1.00 0.00 O ATOM 0 H GLY A 107 4.055 -48.377 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.111 -50.843 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.372 -50.458 0.672 1.00 0.00 H new TER 1572 GLY A 107