USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Set 1.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -0.0709 F(o=-1.7!,f=-0.071) USER MOD Set 2.1: A 47 HIS :FLIP no HE2:sc= -4.41! C(o=-5.1!,f=-3.3!) USER MOD Set 2.2: A 201 HEC O2D : rot -147:sc= 1.11 USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.776 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0816 F(o=-0.45,f=0.082) USER MOD Single : A 41 GLN : amide:sc= -0.0537 K(o=-0.054,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= -1.43 K(o=-1.4,f=-5.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.57! USER MOD Single : A 64 THR OG1 : rot 166:sc= -2.12 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.0058) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 156:sc= -0.982 (180deg=-2.92!) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.01) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 58:sc= 0.0819 USER MOD Single : A 201 HEC O2A : rot 165:sc= -0.0985 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -11.387 -6.819 -6.466 1.00 1.00 N ATOM 2 CA ALA A 25 -11.901 -8.028 -5.846 1.00 1.00 C ATOM 3 C ALA A 25 -10.729 -8.922 -5.434 1.00 1.00 C ATOM 4 O ALA A 25 -9.766 -9.074 -6.184 1.00 1.00 O ATOM 5 CB ALA A 25 -12.858 -8.730 -6.811 1.00 1.00 C ATOM 0 HA ALA A 25 -12.465 -7.787 -4.945 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -13.243 -9.637 -6.346 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.687 -8.064 -7.050 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -12.326 -8.990 -7.726 1.00 1.00 H new ATOM 11 N GLY A 26 -10.850 -9.490 -4.243 1.00 1.00 N ATOM 12 CA GLY A 26 -9.812 -10.364 -3.723 1.00 1.00 C ATOM 13 C GLY A 26 -8.751 -9.565 -2.964 1.00 1.00 C ATOM 14 O GLY A 26 -8.834 -9.415 -1.746 1.00 1.00 O ATOM 0 H GLY A 26 -11.650 -9.362 -3.624 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.256 -11.107 -3.060 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.345 -10.908 -4.544 1.00 1.00 H new ATOM 18 N GLY A 27 -7.778 -9.073 -3.716 1.00 1.00 N ATOM 19 CA GLY A 27 -6.701 -8.292 -3.130 1.00 1.00 C ATOM 20 C GLY A 27 -7.253 -7.192 -2.222 1.00 1.00 C ATOM 21 O GLY A 27 -6.584 -6.763 -1.283 1.00 1.00 O ATOM 0 H GLY A 27 -7.712 -9.200 -4.726 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.043 -8.946 -2.557 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.098 -7.847 -3.921 1.00 1.00 H new ATOM 25 N GLY A 28 -8.468 -6.765 -2.535 1.00 1.00 N ATOM 26 CA GLY A 28 -9.117 -5.722 -1.759 1.00 1.00 C ATOM 27 C GLY A 28 -9.454 -6.216 -0.351 1.00 1.00 C ATOM 28 O GLY A 28 -9.280 -5.487 0.625 1.00 1.00 O ATOM 0 H GLY A 28 -9.020 -7.122 -3.315 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.465 -4.851 -1.696 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.028 -5.402 -2.264 1.00 1.00 H new ATOM 32 N GLU A 29 -9.931 -7.450 -0.289 1.00 1.00 N ATOM 33 CA GLU A 29 -10.295 -8.050 0.983 1.00 1.00 C ATOM 34 C GLU A 29 -9.108 -8.006 1.949 1.00 1.00 C ATOM 35 O GLU A 29 -9.294 -7.946 3.163 1.00 1.00 O ATOM 36 CB GLU A 29 -10.792 -9.484 0.791 1.00 1.00 C ATOM 37 CG GLU A 29 -11.240 -10.092 2.122 1.00 1.00 C ATOM 38 CD GLU A 29 -12.698 -9.739 2.423 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.047 -8.552 2.495 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.481 -10.751 2.585 1.00 1.00 O ATOM 0 H GLU A 29 -10.074 -8.052 -1.100 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.112 -7.472 1.415 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.622 -9.493 0.085 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -9.998 -10.093 0.358 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.124 -11.175 2.088 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.600 -9.728 2.926 1.00 1.00 H new ATOM 48 N LEU A 30 -7.916 -8.037 1.372 1.00 1.00 N ATOM 49 CA LEU A 30 -6.700 -8.001 2.167 1.00 1.00 C ATOM 50 C LEU A 30 -6.396 -6.555 2.561 1.00 1.00 C ATOM 51 O LEU A 30 -5.987 -6.288 3.690 1.00 1.00 O ATOM 52 CB LEU A 30 -5.553 -8.689 1.423 1.00 1.00 C ATOM 53 CG LEU A 30 -5.788 -10.150 1.033 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.469 -10.842 0.683 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.552 -10.894 2.130 1.00 1.00 C ATOM 0 H LEU A 30 -7.766 -8.087 0.364 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.833 -8.563 3.092 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.342 -8.121 0.517 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.660 -8.639 2.046 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.410 -10.169 0.138 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.664 -11.879 0.409 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -3.999 -10.327 -0.155 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.803 -10.813 1.545 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.706 -11.930 1.828 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.977 -10.868 3.056 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.518 -10.415 2.289 1.00 1.00 H new ATOM 67 N PHE A 31 -6.608 -5.658 1.609 1.00 1.00 N ATOM 68 CA PHE A 31 -6.363 -4.245 1.844 1.00 1.00 C ATOM 69 C PHE A 31 -7.466 -3.633 2.709 1.00 1.00 C ATOM 70 O PHE A 31 -7.289 -2.555 3.275 1.00 1.00 O ATOM 71 CB PHE A 31 -6.363 -3.558 0.477 1.00 1.00 C ATOM 72 CG PHE A 31 -6.333 -2.030 0.548 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.219 -1.353 0.160 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.420 -1.349 0.999 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.191 0.065 0.226 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.392 0.069 1.065 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.278 0.746 0.677 1.00 1.00 C ATOM 0 H PHE A 31 -6.947 -5.882 0.673 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.415 -4.114 2.366 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.499 -3.902 -0.091 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.251 -3.868 -0.074 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.356 -1.894 -0.198 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.305 -1.887 1.307 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.306 0.603 -0.082 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.255 0.610 1.423 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.257 1.825 0.727 1.00 1.00 H new ATOM 87 N ALA A 32 -8.580 -4.346 2.784 1.00 1.00 N ATOM 88 CA ALA A 32 -9.711 -3.886 3.571 1.00 1.00 C ATOM 89 C ALA A 32 -9.694 -4.579 4.935 1.00 1.00 C ATOM 90 O ALA A 32 -10.730 -5.031 5.419 1.00 1.00 O ATOM 91 CB ALA A 32 -11.008 -4.147 2.801 1.00 1.00 C ATOM 0 H ALA A 32 -8.723 -5.239 2.313 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.645 -2.812 3.746 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.857 -3.802 3.391 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.983 -3.610 1.853 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.109 -5.215 2.610 1.00 1.00 H new ATOM 97 N THR A 33 -8.505 -4.641 5.516 1.00 1.00 N ATOM 98 CA THR A 33 -8.339 -5.271 6.815 1.00 1.00 C ATOM 99 C THR A 33 -6.918 -5.050 7.337 1.00 1.00 C ATOM 100 O THR A 33 -6.719 -4.825 8.530 1.00 1.00 O ATOM 101 CB THR A 33 -8.712 -6.748 6.675 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.117 -6.775 6.908 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.131 -7.608 7.800 1.00 1.00 C ATOM 0 H THR A 33 -7.647 -4.265 5.111 1.00 1.00 H new ATOM 0 HA THR A 33 -8.998 -4.823 7.559 1.00 1.00 H new ATOM 0 HB THR A 33 -8.360 -7.122 5.714 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.584 -6.387 6.138 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.426 -8.647 7.653 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.044 -7.534 7.790 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.510 -7.256 8.760 1.00 1.00 H new ATOM 111 N HIS A 34 -5.966 -5.122 6.418 1.00 1.00 N ATOM 112 CA HIS A 34 -4.569 -4.932 6.771 1.00 1.00 C ATOM 113 C HIS A 34 -4.125 -3.525 6.369 1.00 1.00 C ATOM 114 O HIS A 34 -3.002 -3.116 6.662 1.00 1.00 O ATOM 115 CB HIS A 34 -3.699 -6.028 6.152 1.00 1.00 C ATOM 116 CG HIS A 34 -4.175 -7.431 6.446 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.900 -8.303 5.689 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.913 -8.075 7.643 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -5.070 -9.421 6.384 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.459 -9.281 7.596 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.135 -5.309 5.430 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.448 -5.019 7.851 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.667 -5.885 5.072 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.678 -5.918 6.518 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.252 -8.126 4.748 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.358 -7.664 8.474 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.604 -10.297 6.046 1.00 1.00 H new ATOM 128 N CYS A 35 -5.029 -2.821 5.703 1.00 1.00 N ATOM 129 CA CYS A 35 -4.744 -1.468 5.257 1.00 1.00 C ATOM 130 C CYS A 35 -5.932 -0.579 5.631 1.00 1.00 C ATOM 131 O CYS A 35 -5.751 0.507 6.179 1.00 1.00 O ATOM 132 CB CYS A 35 -4.443 -1.417 3.758 1.00 1.00 C ATOM 133 SG CYS A 35 -3.397 -2.785 3.139 1.00 1.00 S ATOM 0 H CYS A 35 -5.959 -3.163 5.462 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.846 -1.101 5.753 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.386 -1.424 3.212 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.951 -0.471 3.532 1.00 1.00 H new ATOM 138 N ALA A 36 -7.121 -1.074 5.320 1.00 1.00 N ATOM 139 CA ALA A 36 -8.338 -0.338 5.616 1.00 1.00 C ATOM 140 C ALA A 36 -8.195 0.351 6.975 1.00 1.00 C ATOM 141 O ALA A 36 -8.727 1.441 7.181 1.00 1.00 O ATOM 142 CB ALA A 36 -9.535 -1.290 5.569 1.00 1.00 C ATOM 0 H ALA A 36 -7.267 -1.976 4.866 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.508 0.437 4.869 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.448 -0.738 5.791 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.610 -1.731 4.575 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.400 -2.080 6.307 1.00 1.00 H new ATOM 148 N GLY A 37 -7.473 -0.313 7.866 1.00 1.00 N ATOM 149 CA GLY A 37 -7.253 0.222 9.199 1.00 1.00 C ATOM 150 C GLY A 37 -6.117 1.247 9.197 1.00 1.00 C ATOM 151 O GLY A 37 -5.230 1.197 10.048 1.00 1.00 O ATOM 0 H GLY A 37 -7.033 -1.216 7.691 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.168 0.689 9.563 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -7.014 -0.590 9.886 1.00 1.00 H new ATOM 155 N CYS A 38 -6.181 2.153 8.232 1.00 1.00 N ATOM 156 CA CYS A 38 -5.169 3.188 8.109 1.00 1.00 C ATOM 157 C CYS A 38 -5.349 3.877 6.755 1.00 1.00 C ATOM 158 O CYS A 38 -5.082 5.070 6.620 1.00 1.00 O ATOM 159 CB CYS A 38 -3.758 2.622 8.279 1.00 1.00 C ATOM 160 SG CYS A 38 -3.072 3.127 9.899 1.00 1.00 S ATOM 0 H CYS A 38 -6.918 2.192 7.528 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.294 3.920 8.907 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.783 1.535 8.208 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.115 2.979 7.475 1.00 1.00 H new ATOM 165 N HIS A 39 -5.801 3.095 5.785 1.00 1.00 N ATOM 166 CA HIS A 39 -6.020 3.615 4.446 1.00 1.00 C ATOM 167 C HIS A 39 -7.503 3.503 4.087 1.00 1.00 C ATOM 168 O HIS A 39 -7.896 2.831 3.136 1.00 1.00 O ATOM 169 CB HIS A 39 -5.111 2.912 3.435 1.00 1.00 C ATOM 170 CG HIS A 39 -3.658 3.309 3.536 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.219 4.607 3.333 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.549 2.568 3.820 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.904 4.633 3.490 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.490 3.368 3.792 1.00 1.00 N ATOM 0 H HIS A 39 -6.021 2.106 5.900 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.753 4.671 4.415 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.193 1.834 3.576 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.467 3.130 2.428 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.808 5.407 3.102 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.535 1.509 4.032 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.271 5.503 3.396 1.00 1.00 H new ATOM 182 N PRO A 40 -8.329 4.187 4.883 1.00 1.00 N ATOM 183 CA PRO A 40 -9.767 4.224 4.727 1.00 1.00 C ATOM 184 C PRO A 40 -10.128 5.085 3.526 1.00 1.00 C ATOM 185 O PRO A 40 -9.794 6.269 3.522 1.00 1.00 O ATOM 186 CB PRO A 40 -10.285 4.846 6.022 1.00 1.00 C ATOM 187 CG PRO A 40 -9.102 5.867 6.347 1.00 1.00 C ATOM 188 CD PRO A 40 -7.901 4.987 6.010 1.00 1.00 C ATOM 0 HA PRO A 40 -10.201 3.239 4.554 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.242 5.350 5.886 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.423 4.107 6.811 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.146 6.767 5.733 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -9.104 6.191 7.388 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -7.028 5.590 5.758 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.621 4.359 6.856 1.00 1.00 H new ATOM 196 N GLN A 41 -10.790 4.489 2.545 1.00 1.00 N ATOM 197 CA GLN A 41 -11.182 5.222 1.353 1.00 1.00 C ATOM 198 C GLN A 41 -9.968 5.921 0.738 1.00 1.00 C ATOM 199 O GLN A 41 -9.951 7.144 0.609 1.00 1.00 O ATOM 200 CB GLN A 41 -12.293 6.226 1.666 1.00 1.00 C ATOM 201 CG GLN A 41 -13.671 5.624 1.386 1.00 1.00 C ATOM 202 CD GLN A 41 -14.773 6.433 2.073 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.521 7.336 2.854 1.00 1.00 O ATOM 204 NE2 GLN A 41 -16.006 6.060 1.740 1.00 1.00 N ATOM 0 H GLN A 41 -11.065 3.507 2.551 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.575 4.511 0.626 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.230 6.529 2.711 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -12.156 7.125 1.065 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.849 5.600 0.311 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.699 4.593 1.737 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -16.147 5.296 1.079 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.811 6.539 2.145 1.00 1.00 H new ATOM 213 N GLY A 42 -8.982 5.115 0.374 1.00 1.00 N ATOM 214 CA GLY A 42 -7.767 5.641 -0.225 1.00 1.00 C ATOM 215 C GLY A 42 -7.299 6.903 0.503 1.00 1.00 C ATOM 216 O GLY A 42 -6.629 7.751 -0.085 1.00 1.00 O ATOM 0 H GLY A 42 -8.999 4.101 0.482 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.983 4.885 -0.190 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.944 5.868 -1.276 1.00 1.00 H new ATOM 220 N GLY A 43 -7.671 6.989 1.772 1.00 1.00 N ATOM 221 CA GLY A 43 -7.299 8.133 2.586 1.00 1.00 C ATOM 222 C GLY A 43 -6.192 7.764 3.576 1.00 1.00 C ATOM 223 O GLY A 43 -5.345 6.922 3.282 1.00 1.00 O ATOM 0 H GLY A 43 -8.227 6.284 2.256 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.961 8.946 1.944 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.171 8.497 3.129 1.00 1.00 H new ATOM 227 N ASN A 44 -6.236 8.412 4.731 1.00 1.00 N ATOM 228 CA ASN A 44 -5.248 8.163 5.767 1.00 1.00 C ATOM 229 C ASN A 44 -5.678 8.867 7.056 1.00 1.00 C ATOM 230 O ASN A 44 -6.200 9.980 7.015 1.00 1.00 O ATOM 231 CB ASN A 44 -3.877 8.710 5.364 1.00 1.00 C ATOM 232 CG ASN A 44 -2.874 7.574 5.154 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.115 6.427 5.493 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.737 7.956 4.579 1.00 1.00 N ATOM 0 H ASN A 44 -6.940 9.109 4.972 1.00 1.00 H new ATOM 0 HA ASN A 44 -5.177 7.085 5.913 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.969 9.293 4.447 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.510 9.386 6.136 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.003 7.272 4.397 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.600 8.933 4.320 1.00 1.00 H new ATOM 241 N THR A 45 -5.442 8.189 8.170 1.00 1.00 N ATOM 242 CA THR A 45 -5.799 8.736 9.468 1.00 1.00 C ATOM 243 C THR A 45 -4.541 9.135 10.241 1.00 1.00 C ATOM 244 O THR A 45 -4.624 9.560 11.393 1.00 1.00 O ATOM 245 CB THR A 45 -6.657 7.701 10.197 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.909 6.493 10.092 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.962 7.396 9.458 1.00 1.00 C ATOM 0 H THR A 45 -5.008 7.266 8.200 1.00 1.00 H new ATOM 0 HA THR A 45 -6.384 9.650 9.366 1.00 1.00 H new ATOM 0 HB THR A 45 -6.884 8.061 11.201 1.00 1.00 H new ATOM 0 HG1 THR A 45 -6.393 5.769 10.541 1.00 1.00 H new ATOM 0 HG21 THR A 45 -8.533 6.656 10.018 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.548 8.310 9.362 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.736 7.005 8.466 1.00 1.00 H new ATOM 255 N VAL A 46 -3.404 8.986 9.578 1.00 1.00 N ATOM 256 CA VAL A 46 -2.130 9.326 10.189 1.00 1.00 C ATOM 257 C VAL A 46 -1.570 10.585 9.523 1.00 1.00 C ATOM 258 O VAL A 46 -1.319 11.585 10.193 1.00 1.00 O ATOM 259 CB VAL A 46 -1.176 8.132 10.108 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.168 8.460 10.761 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.802 6.886 10.738 1.00 1.00 C ATOM 0 H VAL A 46 -3.338 8.634 8.623 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.261 9.549 11.248 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.994 7.919 9.055 1.00 1.00 H new ATOM 0 HG11 VAL A 46 0.828 7.595 10.690 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.624 9.307 10.249 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.011 8.712 11.810 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -1.103 6.052 10.667 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -2.027 7.082 11.786 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.722 6.634 10.210 1.00 1.00 H new ATOM 271 N HIS A 47 -1.391 10.493 8.214 1.00 1.00 N ATOM 272 CA HIS A 47 -0.865 11.613 7.451 1.00 1.00 C ATOM 273 C HIS A 47 -1.914 12.083 6.441 1.00 1.00 C ATOM 274 O HIS A 47 -2.345 11.346 5.557 1.00 1.00 O ATOM 275 CB HIS A 47 0.467 11.245 6.794 1.00 1.00 C ATOM 276 CG HIS A 47 1.598 11.039 7.773 1.00 1.00 C ATOM 277 ND1 HIS A 47 1.635 11.165 9.131 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 2.870 10.660 7.381 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 2.863 10.877 9.546 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 3.630 10.564 8.462 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.600 9.661 7.662 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.655 12.447 8.120 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.334 10.333 6.212 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.745 12.033 6.094 1.00 1.00 H new ATOM 0 HD1 HIS A 47 0.852 11.435 9.727 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.189 10.474 6.366 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.199 10.889 10.572 1.00 1.00 H new ATOM 288 N PRO A 48 -2.319 13.345 6.595 1.00 1.00 N ATOM 289 CA PRO A 48 -3.301 13.996 5.753 1.00 1.00 C ATOM 290 C PRO A 48 -2.608 14.619 4.550 1.00 1.00 C ATOM 291 O PRO A 48 -3.239 15.402 3.842 1.00 1.00 O ATOM 292 CB PRO A 48 -3.928 15.069 6.641 1.00 1.00 C ATOM 293 CG PRO A 48 -2.656 15.515 7.458 1.00 1.00 C ATOM 294 CD PRO A 48 -1.833 14.240 7.624 1.00 1.00 C ATOM 0 HA PRO A 48 -4.052 13.308 5.366 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.363 15.886 6.065 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.718 14.674 7.280 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.094 16.283 6.927 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.934 15.935 8.425 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.768 14.439 7.504 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.967 13.810 8.617 1.00 1.00 H new ATOM 302 N GLU A 49 -1.347 14.269 4.344 1.00 1.00 N ATOM 303 CA GLU A 49 -0.595 14.808 3.224 1.00 1.00 C ATOM 304 C GLU A 49 0.091 13.679 2.452 1.00 1.00 C ATOM 305 O GLU A 49 0.848 13.932 1.516 1.00 1.00 O ATOM 306 CB GLU A 49 0.425 15.846 3.697 1.00 1.00 C ATOM 307 CG GLU A 49 1.468 15.210 4.618 1.00 1.00 C ATOM 308 CD GLU A 49 2.793 15.973 4.555 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.203 16.414 3.471 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.403 16.101 5.684 1.00 1.00 O ATOM 0 H GLU A 49 -0.827 13.619 4.934 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.292 15.310 2.553 1.00 1.00 H new ATOM 0 HB2 GLU A 49 0.920 16.293 2.835 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -0.088 16.651 4.223 1.00 1.00 H new ATOM 0 HG2 GLU A 49 1.097 15.202 5.643 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.628 14.171 4.329 1.00 1.00 H new ATOM 318 N LYS A 50 -0.200 12.457 2.872 1.00 1.00 N ATOM 319 CA LYS A 50 0.379 11.288 2.232 1.00 1.00 C ATOM 320 C LYS A 50 -0.735 10.300 1.880 1.00 1.00 C ATOM 321 O LYS A 50 -0.842 9.237 2.489 1.00 1.00 O ATOM 322 CB LYS A 50 1.479 10.686 3.109 1.00 1.00 C ATOM 323 CG LYS A 50 2.460 11.765 3.575 1.00 1.00 C ATOM 324 CD LYS A 50 3.901 11.377 3.238 1.00 1.00 C ATOM 325 CE LYS A 50 4.431 12.201 2.063 1.00 1.00 C ATOM 326 NZ LYS A 50 5.823 11.814 1.744 1.00 1.00 N ATOM 0 H LYS A 50 -0.829 12.251 3.648 1.00 1.00 H new ATOM 0 HA LYS A 50 0.865 11.568 1.297 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.032 10.197 3.975 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.015 9.918 2.551 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.215 12.715 3.100 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.361 11.912 4.651 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.536 11.531 4.110 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.948 10.316 2.993 1.00 1.00 H new ATOM 0 HE2 LYS A 50 3.796 12.050 1.190 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.389 13.262 2.308 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 6.167 12.383 0.944 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.428 11.981 2.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 5.854 10.806 1.490 1.00 1.00 H new ATOM 339 N THR A 51 -1.538 10.687 0.900 1.00 1.00 N ATOM 340 CA THR A 51 -2.640 9.849 0.459 1.00 1.00 C ATOM 341 C THR A 51 -2.164 8.858 -0.605 1.00 1.00 C ATOM 342 O THR A 51 -0.966 8.732 -0.849 1.00 1.00 O ATOM 343 CB THR A 51 -3.766 10.765 -0.023 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.131 11.635 -0.956 1.00 1.00 O ATOM 345 CG2 THR A 51 -4.272 11.701 1.076 1.00 1.00 C ATOM 0 H THR A 51 -1.447 11.571 0.398 1.00 1.00 H new ATOM 0 HA THR A 51 -3.025 9.239 1.276 1.00 1.00 H new ATOM 0 HB THR A 51 -4.594 10.159 -0.391 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.790 12.262 -1.320 1.00 1.00 H new ATOM 0 HG21 THR A 51 -5.070 12.329 0.680 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.654 11.111 1.909 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.453 12.331 1.423 1.00 1.00 H new ATOM 353 N LEU A 52 -3.129 8.180 -1.209 1.00 1.00 N ATOM 354 CA LEU A 52 -2.824 7.204 -2.241 1.00 1.00 C ATOM 355 C LEU A 52 -2.970 7.859 -3.616 1.00 1.00 C ATOM 356 O LEU A 52 -3.180 7.174 -4.615 1.00 1.00 O ATOM 357 CB LEU A 52 -3.683 5.950 -2.064 1.00 1.00 C ATOM 358 CG LEU A 52 -3.480 5.178 -0.758 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.358 3.925 -0.721 1.00 1.00 C ATOM 360 CD2 LEU A 52 -2.002 4.849 -0.540 1.00 1.00 C ATOM 0 H LEU A 52 -4.122 8.287 -1.003 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.790 6.869 -2.154 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.732 6.239 -2.133 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.483 5.276 -2.897 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.793 5.816 0.069 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.195 3.394 0.217 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.406 4.213 -0.798 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.099 3.274 -1.556 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.885 4.300 0.395 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.639 4.238 -1.367 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.427 5.774 -0.492 1.00 1.00 H new ATOM 372 N ALA A 53 -2.854 9.179 -3.622 1.00 1.00 N ATOM 373 CA ALA A 53 -2.970 9.935 -4.858 1.00 1.00 C ATOM 374 C ALA A 53 -1.654 9.843 -5.633 1.00 1.00 C ATOM 375 O ALA A 53 -0.582 10.059 -5.070 1.00 1.00 O ATOM 376 CB ALA A 53 -3.359 11.380 -4.538 1.00 1.00 C ATOM 0 H ALA A 53 -2.681 9.744 -2.791 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.754 9.519 -5.490 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.446 11.947 -5.465 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.315 11.392 -4.014 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.594 11.832 -3.907 1.00 1.00 H new ATOM 382 N ARG A 54 -1.779 9.523 -6.912 1.00 1.00 N ATOM 383 CA ARG A 54 -0.613 9.399 -7.770 1.00 1.00 C ATOM 384 C ARG A 54 0.277 10.637 -7.637 1.00 1.00 C ATOM 385 O ARG A 54 1.485 10.519 -7.438 1.00 1.00 O ATOM 386 CB ARG A 54 -1.021 9.229 -9.234 1.00 1.00 C ATOM 387 CG ARG A 54 0.196 8.936 -10.113 1.00 1.00 C ATOM 388 CD ARG A 54 -0.080 9.300 -11.573 1.00 1.00 C ATOM 389 NE ARG A 54 1.099 9.977 -12.158 1.00 1.00 N ATOM 390 CZ ARG A 54 1.145 10.465 -13.416 1.00 1.00 C ATOM 391 NH1 ARG A 54 2.251 11.051 -13.834 1.00 1.00 N ATOM 392 NH2 ARG A 54 0.076 10.355 -14.233 1.00 1.00 N ATOM 0 H ARG A 54 -2.670 9.346 -7.375 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.062 8.514 -7.454 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.742 8.416 -9.322 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.517 10.134 -9.584 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.055 9.500 -9.750 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.455 7.880 -10.041 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.313 8.400 -12.143 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -0.952 9.951 -11.635 1.00 1.00 H new ATOM 0 HE ARG A 54 1.929 10.081 -11.574 1.00 1.00 H new ATOM 0 HH11 ARG A 54 3.054 11.130 -13.210 1.00 1.00 H new ATOM 0 HH12 ARG A 54 2.303 11.425 -14.781 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -0.775 9.901 -13.901 1.00 1.00 H new ATOM 0 HH22 ARG A 54 0.119 10.726 -15.182 1.00 1.00 H new ATOM 402 N ALA A 55 -0.354 11.796 -7.751 1.00 1.00 N ATOM 403 CA ALA A 55 0.365 13.054 -7.646 1.00 1.00 C ATOM 404 C ALA A 55 1.407 12.949 -6.530 1.00 1.00 C ATOM 405 O ALA A 55 2.502 13.497 -6.646 1.00 1.00 O ATOM 406 CB ALA A 55 -0.630 14.193 -7.410 1.00 1.00 C ATOM 0 H ALA A 55 -1.356 11.890 -7.915 1.00 1.00 H new ATOM 0 HA ALA A 55 0.895 13.272 -8.573 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.091 15.137 -7.331 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.330 14.244 -8.244 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.179 14.011 -6.486 1.00 1.00 H new ATOM 412 N ARG A 56 1.028 12.242 -5.476 1.00 1.00 N ATOM 413 CA ARG A 56 1.916 12.058 -4.340 1.00 1.00 C ATOM 414 C ARG A 56 2.781 10.812 -4.539 1.00 1.00 C ATOM 415 O ARG A 56 4.000 10.867 -4.388 1.00 1.00 O ATOM 416 CB ARG A 56 1.125 11.920 -3.039 1.00 1.00 C ATOM 417 CG ARG A 56 1.091 13.244 -2.273 1.00 1.00 C ATOM 418 CD ARG A 56 0.094 14.217 -2.905 1.00 1.00 C ATOM 419 NE ARG A 56 -0.367 15.197 -1.896 1.00 1.00 N ATOM 420 CZ ARG A 56 -1.150 14.885 -0.842 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.502 15.840 -0.001 1.00 1.00 N ATOM 422 NH2 ARG A 56 -1.568 13.616 -0.650 1.00 1.00 N ATOM 0 H ARG A 56 0.118 11.790 -5.384 1.00 1.00 H new ATOM 0 HA ARG A 56 2.554 12.939 -4.271 1.00 1.00 H new ATOM 0 HB2 ARG A 56 0.107 11.598 -3.261 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.575 11.147 -2.416 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.817 13.060 -1.234 1.00 1.00 H new ATOM 0 HG3 ARG A 56 2.086 13.690 -2.266 1.00 1.00 H new ATOM 0 HD2 ARG A 56 0.561 14.737 -3.742 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -0.758 13.668 -3.306 1.00 1.00 H new ATOM 0 HE ARG A 56 -0.075 16.168 -2.004 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -1.183 16.797 -0.153 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -2.093 15.621 0.801 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -1.292 12.884 -1.304 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -2.160 13.389 0.149 1.00 1.00 H new ATOM 432 N ARG A 57 2.115 9.716 -4.874 1.00 1.00 N ATOM 433 CA ARG A 57 2.807 8.458 -5.095 1.00 1.00 C ATOM 434 C ARG A 57 3.904 8.633 -6.147 1.00 1.00 C ATOM 435 O ARG A 57 4.819 7.816 -6.237 1.00 1.00 O ATOM 436 CB ARG A 57 1.837 7.369 -5.555 1.00 1.00 C ATOM 437 CG ARG A 57 1.652 6.304 -4.472 1.00 1.00 C ATOM 438 CD ARG A 57 0.519 6.685 -3.517 1.00 1.00 C ATOM 439 NE ARG A 57 -0.285 5.488 -3.182 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.178 4.918 -4.019 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.841 3.851 -3.617 1.00 1.00 N ATOM 442 NH2 ARG A 57 -1.389 5.433 -5.249 1.00 1.00 N ATOM 0 H ARG A 57 1.103 9.674 -4.998 1.00 1.00 H new ATOM 0 HA ARG A 57 3.253 8.154 -4.148 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.873 7.815 -5.799 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.213 6.904 -6.466 1.00 1.00 H new ATOM 0 HG2 ARG A 57 1.433 5.342 -4.936 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.580 6.184 -3.912 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.931 7.123 -2.608 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -0.116 7.443 -3.977 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.156 5.068 -2.262 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -1.676 3.469 -2.686 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -2.519 3.408 -4.237 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -0.872 6.258 -5.552 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -2.065 4.997 -5.875 1.00 1.00 H new ATOM 452 N GLU A 58 3.775 9.703 -6.918 1.00 1.00 N ATOM 453 CA GLU A 58 4.744 9.995 -7.960 1.00 1.00 C ATOM 454 C GLU A 58 6.004 10.617 -7.355 1.00 1.00 C ATOM 455 O GLU A 58 7.118 10.209 -7.678 1.00 1.00 O ATOM 456 CB GLU A 58 4.140 10.909 -9.029 1.00 1.00 C ATOM 457 CG GLU A 58 4.534 12.368 -8.789 1.00 1.00 C ATOM 458 CD GLU A 58 3.961 13.277 -9.878 1.00 1.00 C ATOM 459 OE1 GLU A 58 3.197 14.205 -9.573 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.335 12.992 -11.079 1.00 1.00 O ATOM 0 H GLU A 58 3.014 10.378 -6.842 1.00 1.00 H new ATOM 0 HA GLU A 58 5.022 9.058 -8.444 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.480 10.594 -10.016 1.00 1.00 H new ATOM 0 HB3 GLU A 58 3.054 10.816 -9.021 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.171 12.691 -7.813 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.620 12.457 -8.771 1.00 1.00 H new ATOM 468 N ALA A 59 5.785 11.595 -6.489 1.00 1.00 N ATOM 469 CA ALA A 59 6.889 12.278 -5.835 1.00 1.00 C ATOM 470 C ALA A 59 7.856 11.240 -5.262 1.00 1.00 C ATOM 471 O ALA A 59 9.060 11.309 -5.505 1.00 1.00 O ATOM 472 CB ALA A 59 6.343 13.221 -4.762 1.00 1.00 C ATOM 0 H ALA A 59 4.859 11.931 -6.225 1.00 1.00 H new ATOM 0 HA ALA A 59 7.443 12.886 -6.551 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.171 13.733 -4.272 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.685 13.956 -5.225 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.783 12.647 -4.024 1.00 1.00 H new ATOM 478 N ASN A 60 7.294 10.303 -4.513 1.00 1.00 N ATOM 479 CA ASN A 60 8.092 9.253 -3.904 1.00 1.00 C ATOM 480 C ASN A 60 8.444 8.207 -4.963 1.00 1.00 C ATOM 481 O ASN A 60 9.470 7.535 -4.860 1.00 1.00 O ATOM 482 CB ASN A 60 7.318 8.552 -2.786 1.00 1.00 C ATOM 483 CG ASN A 60 7.318 9.393 -1.508 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.966 10.662 -1.696 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.616 8.922 -0.423 1.00 1.00 N flip ATOM 0 H ASN A 60 6.295 10.249 -4.314 1.00 1.00 H new ATOM 0 HA ASN A 60 8.991 9.710 -3.489 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.292 8.372 -3.107 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.765 7.578 -2.585 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.877 7.939 -0.348 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.604 9.511 0.409 1.00 1.00 H new ATOM 492 N GLY A 61 7.575 8.101 -5.957 1.00 1.00 N ATOM 493 CA GLY A 61 7.781 7.148 -7.034 1.00 1.00 C ATOM 494 C GLY A 61 7.262 5.762 -6.647 1.00 1.00 C ATOM 495 O GLY A 61 8.046 4.848 -6.398 1.00 1.00 O ATOM 0 H GLY A 61 6.726 8.660 -6.039 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.270 7.494 -7.933 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.843 7.089 -7.274 1.00 1.00 H new ATOM 499 N ILE A 62 5.942 5.650 -6.609 1.00 1.00 N ATOM 500 CA ILE A 62 5.308 4.391 -6.256 1.00 1.00 C ATOM 501 C ILE A 62 4.181 4.097 -7.248 1.00 1.00 C ATOM 502 O ILE A 62 3.020 3.980 -6.857 1.00 1.00 O ATOM 503 CB ILE A 62 4.853 4.410 -4.796 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.041 4.619 -3.854 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.063 3.147 -4.450 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.700 4.167 -2.433 1.00 1.00 C ATOM 0 H ILE A 62 5.295 6.410 -6.817 1.00 1.00 H new ATOM 0 HA ILE A 62 6.022 3.571 -6.332 1.00 1.00 H new ATOM 0 HB ILE A 62 4.181 5.257 -4.660 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.903 4.061 -4.220 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.323 5.672 -3.847 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.752 3.187 -3.406 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.182 3.082 -5.089 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.691 2.270 -4.608 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.561 4.326 -1.784 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.853 4.744 -2.061 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.442 3.108 -2.440 1.00 1.00 H new ATOM 518 N ARG A 63 4.561 3.986 -8.512 1.00 1.00 N ATOM 519 CA ARG A 63 3.596 3.709 -9.562 1.00 1.00 C ATOM 520 C ARG A 63 3.872 2.340 -10.188 1.00 1.00 C ATOM 521 O ARG A 63 4.041 2.231 -11.402 1.00 1.00 O ATOM 522 CB ARG A 63 3.647 4.780 -10.653 1.00 1.00 C ATOM 523 CG ARG A 63 4.994 4.763 -11.378 1.00 1.00 C ATOM 524 CD ARG A 63 4.808 4.935 -12.886 1.00 1.00 C ATOM 525 NE ARG A 63 5.043 6.346 -13.267 1.00 1.00 N ATOM 526 CZ ARG A 63 5.079 6.790 -14.542 1.00 1.00 C ATOM 527 NH1 ARG A 63 5.296 8.073 -14.767 1.00 1.00 N ATOM 528 NH2 ARG A 63 4.895 5.936 -15.570 1.00 1.00 N ATOM 0 H ARG A 63 5.524 4.083 -8.833 1.00 1.00 H new ATOM 0 HA ARG A 63 2.604 3.713 -9.111 1.00 1.00 H new ATOM 0 HB2 ARG A 63 2.843 4.613 -11.369 1.00 1.00 H new ATOM 0 HB3 ARG A 63 3.481 5.762 -10.211 1.00 1.00 H new ATOM 0 HG2 ARG A 63 5.628 5.562 -10.993 1.00 1.00 H new ATOM 0 HG3 ARG A 63 5.508 3.823 -11.176 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.499 4.285 -13.423 1.00 1.00 H new ATOM 0 HD3 ARG A 63 3.800 4.635 -13.173 1.00 1.00 H new ATOM 0 HE ARG A 63 5.187 7.025 -12.520 1.00 1.00 H new ATOM 0 HH11 ARG A 63 5.433 8.712 -13.984 1.00 1.00 H new ATOM 0 HH12 ARG A 63 5.326 8.425 -15.724 1.00 1.00 H new ATOM 0 HH21 ARG A 63 4.727 4.947 -15.387 1.00 1.00 H new ATOM 0 HH22 ARG A 63 4.924 6.280 -16.530 1.00 1.00 H new ATOM 538 N THR A 64 3.910 1.330 -9.332 1.00 1.00 N ATOM 539 CA THR A 64 4.162 -0.027 -9.785 1.00 1.00 C ATOM 540 C THR A 64 3.581 -1.038 -8.795 1.00 1.00 C ATOM 541 O THR A 64 3.473 -0.753 -7.603 1.00 1.00 O ATOM 542 CB THR A 64 5.669 -0.182 -9.997 1.00 1.00 C ATOM 543 OG1 THR A 64 6.234 0.158 -8.734 1.00 1.00 O ATOM 544 CG2 THR A 64 6.238 0.868 -10.954 1.00 1.00 C ATOM 0 H THR A 64 3.770 1.424 -8.326 1.00 1.00 H new ATOM 0 HA THR A 64 3.663 -0.226 -10.733 1.00 1.00 H new ATOM 0 HB THR A 64 5.880 -1.179 -10.385 1.00 1.00 H new ATOM 0 HG1 THR A 64 7.173 -0.120 -8.710 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.311 0.712 -11.069 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.752 0.776 -11.925 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.057 1.864 -10.550 1.00 1.00 H new ATOM 552 N VAL A 65 3.221 -2.198 -9.325 1.00 1.00 N ATOM 553 CA VAL A 65 2.654 -3.252 -8.502 1.00 1.00 C ATOM 554 C VAL A 65 3.695 -3.713 -7.480 1.00 1.00 C ATOM 555 O VAL A 65 3.455 -3.658 -6.275 1.00 1.00 O ATOM 556 CB VAL A 65 2.142 -4.389 -9.388 1.00 1.00 C ATOM 557 CG1 VAL A 65 2.011 -5.689 -8.592 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.813 -4.015 -10.048 1.00 1.00 C ATOM 0 H VAL A 65 3.311 -2.431 -10.314 1.00 1.00 H new ATOM 0 HA VAL A 65 1.795 -2.880 -7.944 1.00 1.00 H new ATOM 0 HB VAL A 65 2.875 -4.552 -10.178 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.645 -6.481 -9.246 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.985 -5.970 -8.192 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.309 -5.544 -7.771 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.472 -4.841 -10.672 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.069 -3.811 -9.278 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.950 -3.127 -10.665 1.00 1.00 H new ATOM 568 N ARG A 66 4.830 -4.157 -8.000 1.00 1.00 N ATOM 569 CA ARG A 66 5.910 -4.628 -7.148 1.00 1.00 C ATOM 570 C ARG A 66 6.114 -3.670 -5.972 1.00 1.00 C ATOM 571 O ARG A 66 5.936 -4.053 -4.817 1.00 1.00 O ATOM 572 CB ARG A 66 7.218 -4.748 -7.932 1.00 1.00 C ATOM 573 CG ARG A 66 7.119 -5.839 -9.000 1.00 1.00 C ATOM 574 CD ARG A 66 8.472 -6.068 -9.677 1.00 1.00 C ATOM 575 NE ARG A 66 8.304 -6.939 -10.862 1.00 1.00 N ATOM 576 CZ ARG A 66 7.943 -6.494 -12.084 1.00 1.00 C ATOM 577 NH1 ARG A 66 7.823 -7.361 -13.071 1.00 1.00 N ATOM 578 NH2 ARG A 66 7.708 -5.181 -12.293 1.00 1.00 N ATOM 0 H ARG A 66 5.026 -4.201 -9.000 1.00 1.00 H new ATOM 0 HA ARG A 66 5.632 -5.614 -6.775 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.453 -3.793 -8.403 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.036 -4.976 -7.249 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.774 -6.768 -8.545 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.378 -5.555 -9.747 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.905 -5.113 -9.976 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.167 -6.527 -8.974 1.00 1.00 H new ATOM 0 HE ARG A 66 8.472 -7.939 -10.748 1.00 1.00 H new ATOM 0 HH11 ARG A 66 8.002 -8.351 -12.905 1.00 1.00 H new ATOM 0 HH12 ARG A 66 7.551 -7.041 -14.001 1.00 1.00 H new ATOM 0 HH21 ARG A 66 7.803 -4.517 -11.524 1.00 1.00 H new ATOM 0 HH22 ARG A 66 7.436 -4.853 -13.220 1.00 1.00 H new ATOM 588 N ASP A 67 6.485 -2.443 -6.308 1.00 1.00 N ATOM 589 CA ASP A 67 6.715 -1.428 -5.294 1.00 1.00 C ATOM 590 C ASP A 67 5.701 -1.604 -4.162 1.00 1.00 C ATOM 591 O ASP A 67 6.049 -1.486 -2.988 1.00 1.00 O ATOM 592 CB ASP A 67 6.538 -0.022 -5.872 1.00 1.00 C ATOM 593 CG ASP A 67 7.781 0.561 -6.547 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.118 1.739 -6.356 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.424 -0.259 -7.307 1.00 1.00 O ATOM 0 H ASP A 67 6.632 -2.129 -7.267 1.00 1.00 H new ATOM 0 HA ASP A 67 7.735 -1.543 -4.928 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.725 -0.044 -6.598 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.231 0.648 -5.069 1.00 1.00 H new ATOM 601 N VAL A 68 4.467 -1.884 -4.554 1.00 1.00 N ATOM 602 CA VAL A 68 3.400 -2.078 -3.587 1.00 1.00 C ATOM 603 C VAL A 68 3.389 -3.539 -3.132 1.00 1.00 C ATOM 604 O VAL A 68 2.355 -4.202 -3.188 1.00 1.00 O ATOM 605 CB VAL A 68 2.065 -1.627 -4.182 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.941 -1.728 -3.149 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.167 -0.208 -4.744 1.00 1.00 C ATOM 0 H VAL A 68 4.182 -1.981 -5.529 1.00 1.00 H new ATOM 0 HA VAL A 68 3.570 -1.463 -2.703 1.00 1.00 H new ATOM 0 HB VAL A 68 1.823 -2.298 -5.006 1.00 1.00 H new ATOM 0 HG11 VAL A 68 0.003 -1.401 -3.599 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.844 -2.762 -2.817 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.174 -1.093 -2.294 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.204 0.088 -5.161 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.444 0.480 -3.946 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.925 -0.180 -5.526 1.00 1.00 H new ATOM 617 N ALA A 69 4.552 -3.997 -2.693 1.00 1.00 N ATOM 618 CA ALA A 69 4.689 -5.368 -2.229 1.00 1.00 C ATOM 619 C ALA A 69 6.015 -5.518 -1.482 1.00 1.00 C ATOM 620 O ALA A 69 6.074 -6.168 -0.439 1.00 1.00 O ATOM 621 CB ALA A 69 4.579 -6.323 -3.419 1.00 1.00 C ATOM 0 H ALA A 69 5.408 -3.444 -2.649 1.00 1.00 H new ATOM 0 HA ALA A 69 3.888 -5.620 -1.534 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.682 -7.351 -3.071 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.608 -6.197 -3.898 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.369 -6.102 -4.137 1.00 1.00 H new ATOM 627 N ALA A 70 7.048 -4.907 -2.044 1.00 1.00 N ATOM 628 CA ALA A 70 8.370 -4.965 -1.443 1.00 1.00 C ATOM 629 C ALA A 70 8.422 -4.017 -0.243 1.00 1.00 C ATOM 630 O ALA A 70 8.568 -4.426 0.906 1.00 1.00 O ATOM 631 CB ALA A 70 9.425 -4.628 -2.499 1.00 1.00 C ATOM 0 H ALA A 70 6.996 -4.369 -2.909 1.00 1.00 H new ATOM 0 HA ALA A 70 8.583 -5.970 -1.078 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.417 -4.671 -2.049 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.365 -5.348 -3.316 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.245 -3.625 -2.886 1.00 1.00 H new ATOM 637 N TYR A 71 8.297 -2.722 -0.542 1.00 1.00 N ATOM 638 CA TYR A 71 8.327 -1.697 0.482 1.00 1.00 C ATOM 639 C TYR A 71 7.470 -2.123 1.665 1.00 1.00 C ATOM 640 O TYR A 71 7.979 -2.163 2.784 1.00 1.00 O ATOM 641 CB TYR A 71 7.825 -0.380 -0.104 1.00 1.00 C ATOM 642 CG TYR A 71 8.927 0.615 -0.382 1.00 1.00 C ATOM 643 CD1 TYR A 71 9.980 0.271 -1.238 1.00 1.00 C ATOM 644 CD2 TYR A 71 8.894 1.880 0.216 1.00 1.00 C ATOM 645 CE1 TYR A 71 11.001 1.194 -1.496 1.00 1.00 C ATOM 646 CE2 TYR A 71 9.915 2.803 -0.043 1.00 1.00 C ATOM 647 CZ TYR A 71 10.968 2.460 -0.899 1.00 1.00 C ATOM 648 OH TYR A 71 11.963 3.359 -1.151 1.00 1.00 O ATOM 0 H TYR A 71 8.174 -2.366 -1.490 1.00 1.00 H new ATOM 0 HA TYR A 71 9.350 -1.558 0.833 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.289 -0.585 -1.031 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.109 0.066 0.586 1.00 1.00 H new ATOM 0 HD1 TYR A 71 10.005 -0.705 -1.699 1.00 1.00 H new ATOM 0 HD2 TYR A 71 8.082 2.144 0.877 1.00 1.00 H new ATOM 0 HE1 TYR A 71 11.814 0.929 -2.156 1.00 1.00 H new ATOM 0 HE2 TYR A 71 9.890 3.779 0.418 1.00 1.00 H new ATOM 0 HH TYR A 71 11.787 4.188 -0.659 1.00 1.00 H new ATOM 658 N ILE A 72 6.208 -2.428 1.403 1.00 1.00 N ATOM 659 CA ILE A 72 5.304 -2.847 2.461 1.00 1.00 C ATOM 660 C ILE A 72 6.045 -3.783 3.418 1.00 1.00 C ATOM 661 O ILE A 72 5.820 -3.747 4.627 1.00 1.00 O ATOM 662 CB ILE A 72 4.031 -3.456 1.870 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.359 -4.660 0.985 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.216 -2.400 1.121 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.233 -5.695 1.028 1.00 1.00 C ATOM 0 H ILE A 72 5.790 -2.393 0.473 1.00 1.00 H new ATOM 0 HA ILE A 72 4.977 -1.986 3.044 1.00 1.00 H new ATOM 0 HB ILE A 72 3.412 -3.819 2.691 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.515 -4.329 -0.042 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.291 -5.117 1.318 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.316 -2.858 0.710 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.935 -1.602 1.808 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.815 -1.986 0.310 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.491 -6.540 0.390 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.096 -6.041 2.052 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.308 -5.241 0.672 1.00 1.00 H new ATOM 677 N ARG A 73 6.915 -4.599 2.842 1.00 1.00 N ATOM 678 CA ARG A 73 7.691 -5.543 3.628 1.00 1.00 C ATOM 679 C ARG A 73 8.490 -4.806 4.705 1.00 1.00 C ATOM 680 O ARG A 73 8.255 -4.997 5.897 1.00 1.00 O ATOM 681 CB ARG A 73 8.653 -6.338 2.743 1.00 1.00 C ATOM 682 CG ARG A 73 9.137 -7.602 3.457 1.00 1.00 C ATOM 683 CD ARG A 73 9.049 -8.820 2.535 1.00 1.00 C ATOM 684 NE ARG A 73 10.312 -9.589 2.590 1.00 1.00 N ATOM 685 CZ ARG A 73 10.696 -10.484 1.655 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.845 -11.115 1.805 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.914 -10.730 0.581 1.00 1.00 N ATOM 0 H ARG A 73 7.100 -4.626 1.839 1.00 1.00 H new ATOM 0 HA ARG A 73 6.993 -6.235 4.098 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.156 -6.610 1.812 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.508 -5.716 2.478 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.167 -7.465 3.788 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.535 -7.773 4.350 1.00 1.00 H new ATOM 0 HD2 ARG A 73 8.214 -9.454 2.835 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.854 -8.499 1.512 1.00 1.00 H new ATOM 0 HE ARG A 73 10.932 -9.433 3.385 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.429 -10.924 2.619 1.00 1.00 H new ATOM 0 HH12 ARG A 73 12.149 -11.794 1.107 1.00 1.00 H new ATOM 0 HH21 ARG A 73 9.027 -10.238 0.473 1.00 1.00 H new ATOM 0 HH22 ARG A 73 10.211 -11.408 -0.121 1.00 1.00 H new ATOM 697 N ASN A 74 9.419 -3.980 4.246 1.00 1.00 N ATOM 698 CA ASN A 74 10.254 -3.213 5.155 1.00 1.00 C ATOM 699 C ASN A 74 10.168 -1.730 4.791 1.00 1.00 C ATOM 700 O ASN A 74 11.078 -1.147 4.206 1.00 1.00 O ATOM 701 CB ASN A 74 11.719 -3.642 5.050 1.00 1.00 C ATOM 702 CG ASN A 74 12.472 -3.340 6.347 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.390 -2.537 6.390 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.035 -4.026 7.398 1.00 1.00 N ATOM 0 H ASN A 74 9.612 -3.825 3.256 1.00 1.00 H new ATOM 0 HA ASN A 74 9.898 -3.389 6.170 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.775 -4.709 4.833 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.195 -3.122 4.219 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.473 -3.896 8.310 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.262 -4.683 7.293 1.00 1.00 H new ATOM 711 N PRO A 75 9.035 -1.124 5.156 1.00 1.00 N ATOM 712 CA PRO A 75 8.743 0.272 4.915 1.00 1.00 C ATOM 713 C PRO A 75 9.382 1.123 6.003 1.00 1.00 C ATOM 714 O PRO A 75 9.955 0.563 6.935 1.00 1.00 O ATOM 715 CB PRO A 75 7.220 0.368 4.968 1.00 1.00 C ATOM 716 CG PRO A 75 6.830 -0.736 5.898 1.00 1.00 C ATOM 717 CD PRO A 75 7.944 -1.779 5.845 1.00 1.00 C ATOM 0 HA PRO A 75 9.134 0.629 3.962 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.892 1.339 5.339 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.775 0.237 3.981 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.703 -0.359 6.913 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.877 -1.174 5.599 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.240 -2.092 6.846 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.622 -2.674 5.313 1.00 1.00 H new ATOM 725 N GLY A 76 9.276 2.437 5.868 1.00 1.00 N ATOM 726 CA GLY A 76 9.852 3.339 6.851 1.00 1.00 C ATOM 727 C GLY A 76 8.862 3.623 7.982 1.00 1.00 C ATOM 728 O GLY A 76 7.766 3.071 8.043 1.00 1.00 O ATOM 0 H GLY A 76 8.800 2.898 5.093 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.762 2.902 7.261 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.137 4.274 6.369 1.00 1.00 H new ATOM 732 N PRO A 77 9.280 4.510 8.887 1.00 1.00 N ATOM 733 CA PRO A 77 8.506 4.928 10.037 1.00 1.00 C ATOM 734 C PRO A 77 7.148 5.441 9.579 1.00 1.00 C ATOM 735 O PRO A 77 7.028 5.859 8.429 1.00 1.00 O ATOM 736 CB PRO A 77 9.327 6.047 10.676 1.00 1.00 C ATOM 737 CG PRO A 77 10.713 5.829 10.219 1.00 1.00 C ATOM 738 CD PRO A 77 10.562 5.179 8.845 1.00 1.00 C ATOM 0 HA PRO A 77 8.319 4.117 10.741 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.962 7.027 10.368 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.262 6.010 11.763 1.00 1.00 H new ATOM 0 HG2 PRO A 77 11.263 6.768 10.156 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.261 5.184 10.906 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.593 5.924 8.050 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.370 4.473 8.651 1.00 1.00 H new ATOM 746 N GLY A 78 6.168 5.401 10.469 1.00 1.00 N ATOM 747 CA GLY A 78 4.832 5.865 10.133 1.00 1.00 C ATOM 748 C GLY A 78 3.950 4.706 9.666 1.00 1.00 C ATOM 749 O GLY A 78 2.748 4.691 9.927 1.00 1.00 O ATOM 0 H GLY A 78 6.272 5.054 11.423 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.380 6.343 11.002 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.892 6.620 9.349 1.00 1.00 H new ATOM 753 N MET A 79 4.581 3.761 8.983 1.00 1.00 N ATOM 754 CA MET A 79 3.868 2.601 8.478 1.00 1.00 C ATOM 755 C MET A 79 4.471 1.306 9.026 1.00 1.00 C ATOM 756 O MET A 79 5.676 1.074 8.976 1.00 1.00 O ATOM 757 CB MET A 79 3.934 2.587 6.949 1.00 1.00 C ATOM 758 CG MET A 79 2.723 1.865 6.355 1.00 1.00 C ATOM 759 SD MET A 79 2.512 2.332 4.645 1.00 1.00 S ATOM 760 CE MET A 79 3.067 0.837 3.845 1.00 1.00 C ATOM 0 H MET A 79 5.578 3.776 8.768 1.00 1.00 H new ATOM 0 HA MET A 79 2.830 2.664 8.806 1.00 1.00 H new ATOM 0 HB2 MET A 79 3.972 3.610 6.574 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.851 2.094 6.625 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.859 0.786 6.432 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.826 2.115 6.922 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.001 0.957 2.764 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.101 0.637 4.125 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.439 0.003 4.157 1.00 1.00 H new ATOM 770 N PRO A 80 3.590 0.455 9.559 1.00 1.00 N ATOM 771 CA PRO A 80 3.939 -0.826 10.134 1.00 1.00 C ATOM 772 C PRO A 80 4.734 -1.640 9.123 1.00 1.00 C ATOM 773 O PRO A 80 5.496 -1.052 8.356 1.00 1.00 O ATOM 774 CB PRO A 80 2.601 -1.494 10.442 1.00 1.00 C ATOM 775 CG PRO A 80 1.628 -0.405 10.547 1.00 1.00 C ATOM 776 CD PRO A 80 2.166 0.696 9.636 1.00 1.00 C ATOM 0 HA PRO A 80 4.557 -0.736 11.027 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.322 -2.193 9.654 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.652 -2.064 11.370 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.637 -0.730 10.230 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.536 -0.056 11.576 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.704 0.653 8.650 1.00 1.00 H new ATOM 0 HD3 PRO A 80 1.954 1.684 10.044 1.00 1.00 H new ATOM 784 N ALA A 81 4.550 -2.951 9.139 1.00 1.00 N ATOM 785 CA ALA A 81 5.263 -3.819 8.217 1.00 1.00 C ATOM 786 C ALA A 81 4.459 -5.103 8.007 1.00 1.00 C ATOM 787 O ALA A 81 3.580 -5.427 8.805 1.00 1.00 O ATOM 788 CB ALA A 81 6.669 -4.092 8.755 1.00 1.00 C ATOM 0 H ALA A 81 3.917 -3.434 9.776 1.00 1.00 H new ATOM 0 HA ALA A 81 5.374 -3.338 7.245 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.203 -4.743 8.063 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.209 -3.150 8.857 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.598 -4.577 9.728 1.00 1.00 H new ATOM 794 N PHE A 82 4.788 -5.800 6.929 1.00 1.00 N ATOM 795 CA PHE A 82 4.107 -7.042 6.605 1.00 1.00 C ATOM 796 C PHE A 82 5.085 -8.071 6.034 1.00 1.00 C ATOM 797 O PHE A 82 5.408 -8.034 4.848 1.00 1.00 O ATOM 798 CB PHE A 82 3.056 -6.712 5.543 1.00 1.00 C ATOM 799 CG PHE A 82 2.040 -5.655 5.981 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.266 -4.342 5.711 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.911 -6.030 6.640 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.323 -3.361 6.117 1.00 1.00 C ATOM 803 CE2 PHE A 82 -0.032 -5.049 7.047 1.00 1.00 C ATOM 804 CZ PHE A 82 0.193 -3.735 6.776 1.00 1.00 C ATOM 0 H PHE A 82 5.517 -5.528 6.269 1.00 1.00 H new ATOM 0 HA PHE A 82 3.659 -7.466 7.504 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.561 -6.364 4.642 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.523 -7.625 5.277 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.163 -4.045 5.188 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.732 -7.073 6.854 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.503 -2.318 5.903 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.928 -5.346 7.572 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.525 -2.989 7.084 1.00 1.00 H new ATOM 814 N GLY A 83 5.530 -8.964 6.905 1.00 1.00 N ATOM 815 CA GLY A 83 6.465 -10.001 6.503 1.00 1.00 C ATOM 816 C GLY A 83 5.725 -11.241 5.999 1.00 1.00 C ATOM 817 O GLY A 83 4.513 -11.204 5.791 1.00 1.00 O ATOM 0 H GLY A 83 5.260 -8.991 7.888 1.00 1.00 H new ATOM 0 HA2 GLY A 83 7.120 -9.621 5.719 1.00 1.00 H new ATOM 0 HA3 GLY A 83 7.100 -10.270 7.347 1.00 1.00 H new ATOM 821 N GLU A 84 6.485 -12.311 5.816 1.00 1.00 N ATOM 822 CA GLU A 84 5.916 -13.560 5.339 1.00 1.00 C ATOM 823 C GLU A 84 5.289 -14.335 6.500 1.00 1.00 C ATOM 824 O GLU A 84 4.890 -15.487 6.339 1.00 1.00 O ATOM 825 CB GLU A 84 6.971 -14.405 4.622 1.00 1.00 C ATOM 826 CG GLU A 84 6.325 -15.577 3.882 1.00 1.00 C ATOM 827 CD GLU A 84 7.065 -16.885 4.171 1.00 1.00 C ATOM 828 OE1 GLU A 84 8.295 -16.945 4.028 1.00 1.00 O ATOM 829 OE2 GLU A 84 6.316 -17.861 4.559 1.00 1.00 O ATOM 0 H GLU A 84 7.490 -12.339 5.989 1.00 1.00 H new ATOM 0 HA GLU A 84 5.133 -13.328 4.618 1.00 1.00 H new ATOM 0 HB2 GLU A 84 7.521 -13.783 3.916 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.694 -14.781 5.346 1.00 1.00 H new ATOM 0 HG2 GLU A 84 5.282 -15.671 4.184 1.00 1.00 H new ATOM 0 HG3 GLU A 84 6.330 -15.382 2.810 1.00 1.00 H new ATOM 837 N ALA A 85 5.223 -13.672 7.645 1.00 1.00 N ATOM 838 CA ALA A 85 4.651 -14.284 8.833 1.00 1.00 C ATOM 839 C ALA A 85 3.132 -14.375 8.674 1.00 1.00 C ATOM 840 O ALA A 85 2.524 -15.377 9.050 1.00 1.00 O ATOM 841 CB ALA A 85 5.061 -13.480 10.069 1.00 1.00 C ATOM 0 H ALA A 85 5.556 -12.717 7.776 1.00 1.00 H new ATOM 0 HA ALA A 85 5.030 -15.298 8.963 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.632 -13.939 10.960 1.00 1.00 H new ATOM 0 HB2 ALA A 85 6.148 -13.471 10.153 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.695 -12.457 9.976 1.00 1.00 H new ATOM 847 N MET A 86 2.563 -13.317 8.116 1.00 1.00 N ATOM 848 CA MET A 86 1.127 -13.266 7.902 1.00 1.00 C ATOM 849 C MET A 86 0.794 -13.265 6.409 1.00 1.00 C ATOM 850 O MET A 86 0.024 -14.103 5.940 1.00 1.00 O ATOM 851 CB MET A 86 0.559 -12.002 8.552 1.00 1.00 C ATOM 852 CG MET A 86 -0.958 -12.108 8.722 1.00 1.00 C ATOM 853 SD MET A 86 -1.460 -11.307 10.236 1.00 1.00 S ATOM 854 CE MET A 86 -0.261 -9.986 10.301 1.00 1.00 C ATOM 0 H MET A 86 3.070 -12.488 7.806 1.00 1.00 H new ATOM 0 HA MET A 86 0.680 -14.151 8.354 1.00 1.00 H new ATOM 0 HB2 MET A 86 1.028 -11.846 9.524 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.800 -11.134 7.939 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.461 -11.646 7.872 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.258 -13.156 8.738 1.00 1.00 H new ATOM 0 HE1 MET A 86 -0.656 -9.166 10.901 1.00 1.00 H new ATOM 0 HE2 MET A 86 0.661 -10.353 10.751 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.055 -9.631 9.291 1.00 1.00 H new ATOM 864 N ILE A 87 1.391 -12.316 5.702 1.00 1.00 N ATOM 865 CA ILE A 87 1.167 -12.196 4.272 1.00 1.00 C ATOM 866 C ILE A 87 2.498 -12.364 3.536 1.00 1.00 C ATOM 867 O ILE A 87 3.434 -11.583 3.694 1.00 1.00 O ATOM 868 CB ILE A 87 0.448 -10.885 3.950 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.823 -10.736 4.788 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.163 -10.769 2.451 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.812 -9.780 4.120 1.00 1.00 C ATOM 0 H ILE A 87 2.029 -11.623 6.093 1.00 1.00 H new ATOM 0 HA ILE A 87 0.506 -12.989 3.922 1.00 1.00 H new ATOM 0 HB ILE A 87 1.108 -10.060 4.217 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.290 -11.712 4.923 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.567 -10.365 5.780 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.349 -9.828 2.250 1.00 1.00 H new ATOM 0 HG22 ILE A 87 1.102 -10.797 1.899 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.468 -11.600 2.135 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.706 -9.692 4.737 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.351 -8.799 4.008 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.085 -10.166 3.138 1.00 1.00 H new ATOM 883 N PRO A 88 2.562 -13.417 2.717 1.00 1.00 N ATOM 884 CA PRO A 88 3.721 -13.764 1.924 1.00 1.00 C ATOM 885 C PRO A 88 3.857 -12.788 0.764 1.00 1.00 C ATOM 886 O PRO A 88 2.860 -12.271 0.265 1.00 1.00 O ATOM 887 CB PRO A 88 3.440 -15.178 1.419 1.00 1.00 C ATOM 888 CG PRO A 88 1.961 -15.264 1.380 1.00 1.00 C ATOM 889 CD PRO A 88 1.481 -14.355 2.508 1.00 1.00 C ATOM 0 HA PRO A 88 4.652 -13.718 2.490 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.874 -15.342 0.433 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.865 -15.930 2.084 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.572 -14.935 0.416 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.621 -16.289 1.528 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.559 -13.841 2.236 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.272 -14.925 3.413 1.00 1.00 H new ATOM 897 N PRO A 89 5.096 -12.536 0.337 1.00 1.00 N ATOM 898 CA PRO A 89 5.417 -11.637 -0.752 1.00 1.00 C ATOM 899 C PRO A 89 4.589 -12.002 -1.975 1.00 1.00 C ATOM 900 O PRO A 89 4.095 -11.099 -2.649 1.00 1.00 O ATOM 901 CB PRO A 89 6.905 -11.854 -1.013 1.00 1.00 C ATOM 902 CG PRO A 89 7.301 -13.141 -0.244 1.00 1.00 C ATOM 903 CD PRO A 89 6.291 -13.126 0.900 1.00 1.00 C ATOM 0 HA PRO A 89 5.200 -10.594 -0.520 1.00 1.00 H new ATOM 0 HB2 PRO A 89 7.100 -11.963 -2.080 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.488 -11.000 -0.668 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.209 -14.034 -0.862 1.00 1.00 H new ATOM 0 HG3 PRO A 89 8.330 -13.106 0.115 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.098 -14.133 1.269 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.659 -12.543 1.744 1.00 1.00 H new ATOM 911 N ALA A 90 4.455 -13.293 -2.238 1.00 1.00 N ATOM 912 CA ALA A 90 3.685 -13.748 -3.384 1.00 1.00 C ATOM 913 C ALA A 90 2.223 -13.333 -3.209 1.00 1.00 C ATOM 914 O ALA A 90 1.491 -13.198 -4.188 1.00 1.00 O ATOM 915 CB ALA A 90 3.847 -15.262 -3.540 1.00 1.00 C ATOM 0 H ALA A 90 4.867 -14.039 -1.677 1.00 1.00 H new ATOM 0 HA ALA A 90 4.051 -13.285 -4.300 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.270 -15.603 -4.399 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.899 -15.502 -3.692 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.487 -15.761 -2.640 1.00 1.00 H new ATOM 921 N ASP A 91 1.842 -13.142 -1.954 1.00 1.00 N ATOM 922 CA ASP A 91 0.481 -12.745 -1.638 1.00 1.00 C ATOM 923 C ASP A 91 0.400 -11.218 -1.579 1.00 1.00 C ATOM 924 O ASP A 91 -0.687 -10.655 -1.463 1.00 1.00 O ATOM 925 CB ASP A 91 0.049 -13.294 -0.277 1.00 1.00 C ATOM 926 CG ASP A 91 -0.260 -14.793 -0.252 1.00 1.00 C ATOM 927 OD1 ASP A 91 0.415 -15.595 -0.914 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.255 -15.132 0.495 1.00 1.00 O ATOM 0 H ASP A 91 2.452 -13.255 -1.145 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.175 -13.143 -2.412 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.837 -13.089 0.447 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -0.836 -12.750 0.053 1.00 1.00 H new ATOM 934 N ALA A 92 1.565 -10.593 -1.661 1.00 1.00 N ATOM 935 CA ALA A 92 1.639 -9.142 -1.619 1.00 1.00 C ATOM 936 C ALA A 92 1.510 -8.587 -3.039 1.00 1.00 C ATOM 937 O ALA A 92 0.990 -7.490 -3.235 1.00 1.00 O ATOM 938 CB ALA A 92 2.945 -8.718 -0.944 1.00 1.00 C ATOM 0 H ALA A 92 2.465 -11.064 -1.756 1.00 1.00 H new ATOM 0 HA ALA A 92 0.818 -8.733 -1.030 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.001 -7.630 -0.912 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.975 -9.113 0.072 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.791 -9.109 -1.510 1.00 1.00 H new ATOM 944 N LEU A 93 1.992 -9.371 -3.992 1.00 1.00 N ATOM 945 CA LEU A 93 1.937 -8.971 -5.388 1.00 1.00 C ATOM 946 C LEU A 93 0.475 -8.841 -5.819 1.00 1.00 C ATOM 947 O LEU A 93 0.176 -8.208 -6.831 1.00 1.00 O ATOM 948 CB LEU A 93 2.750 -9.936 -6.254 1.00 1.00 C ATOM 949 CG LEU A 93 4.270 -9.862 -6.094 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.947 -11.082 -6.723 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.818 -8.549 -6.657 1.00 1.00 C ATOM 0 H LEU A 93 2.422 -10.281 -3.825 1.00 1.00 H new ATOM 0 HA LEU A 93 2.398 -7.992 -5.523 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.430 -10.953 -6.028 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.505 -9.749 -7.300 1.00 1.00 H new ATOM 0 HG LEU A 93 4.502 -9.877 -5.029 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.027 -11.005 -6.596 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.588 -11.989 -6.236 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.709 -11.122 -7.786 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.900 -8.522 -6.530 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.575 -8.478 -7.717 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.370 -7.710 -6.125 1.00 1.00 H new ATOM 963 N LYS A 94 -0.398 -9.451 -5.031 1.00 1.00 N ATOM 964 CA LYS A 94 -1.821 -9.411 -5.319 1.00 1.00 C ATOM 965 C LYS A 94 -2.422 -8.135 -4.725 1.00 1.00 C ATOM 966 O LYS A 94 -3.519 -7.727 -5.103 1.00 1.00 O ATOM 967 CB LYS A 94 -2.502 -10.694 -4.835 1.00 1.00 C ATOM 968 CG LYS A 94 -2.580 -10.731 -3.308 1.00 1.00 C ATOM 969 CD LYS A 94 -4.033 -10.816 -2.835 1.00 1.00 C ATOM 970 CE LYS A 94 -4.569 -12.243 -2.964 1.00 1.00 C ATOM 971 NZ LYS A 94 -5.602 -12.315 -4.021 1.00 1.00 N ATOM 0 H LYS A 94 -0.147 -9.976 -4.193 1.00 1.00 H new ATOM 0 HA LYS A 94 -1.991 -9.373 -6.395 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.506 -10.758 -5.256 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -1.949 -11.562 -5.196 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.021 -11.588 -2.932 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -2.111 -9.838 -2.895 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.101 -10.491 -1.797 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -4.651 -10.137 -3.423 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -3.752 -12.925 -3.199 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.991 -12.567 -2.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -5.991 -13.279 -4.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.365 -11.642 -3.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -5.176 -12.075 -4.939 1.00 1.00 H new ATOM 984 N ILE A 95 -1.677 -7.542 -3.804 1.00 1.00 N ATOM 985 CA ILE A 95 -2.122 -6.321 -3.154 1.00 1.00 C ATOM 986 C ILE A 95 -1.824 -5.127 -4.063 1.00 1.00 C ATOM 987 O ILE A 95 -2.581 -4.158 -4.090 1.00 1.00 O ATOM 988 CB ILE A 95 -1.505 -6.201 -1.759 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.653 -7.509 -0.980 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.096 -5.011 -0.999 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.077 -7.671 -0.444 1.00 1.00 C ATOM 0 H ILE A 95 -0.768 -7.884 -3.492 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.201 -6.343 -2.999 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.437 -6.013 -1.872 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.406 -8.351 -1.626 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -0.945 -7.525 -0.151 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.641 -4.948 -0.011 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.896 -4.092 -1.550 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.173 -5.144 -0.895 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.154 -8.609 0.106 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.312 -6.840 0.221 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.780 -7.679 -1.277 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.719 -5.235 -4.786 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.311 -4.177 -5.694 1.00 1.00 C ATOM 1005 C GLY A 96 -1.390 -3.910 -6.745 1.00 1.00 C ATOM 1006 O GLY A 96 -1.370 -2.876 -7.411 1.00 1.00 O ATOM 0 H GLY A 96 -0.093 -6.040 -4.761 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.114 -3.265 -5.130 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.621 -4.455 -6.187 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.306 -4.860 -6.860 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.391 -4.740 -7.819 1.00 1.00 C ATOM 1012 C GLU A 97 -4.423 -3.721 -7.329 1.00 1.00 C ATOM 1013 O GLU A 97 -4.803 -2.788 -8.032 1.00 1.00 O ATOM 1014 CB GLU A 97 -4.045 -6.099 -8.080 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.996 -7.213 -8.118 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.569 -8.483 -8.751 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -4.261 -9.256 -8.071 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.273 -8.654 -9.994 1.00 1.00 O ATOM 0 H GLU A 97 -2.319 -5.716 -6.305 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.977 -4.385 -8.763 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.777 -6.310 -7.301 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.586 -6.071 -9.026 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -2.127 -6.880 -8.685 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.653 -7.429 -7.106 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.872 -3.925 -6.089 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.852 -3.049 -5.479 1.00 1.00 C ATOM 1028 C TYR A 98 -5.425 -1.599 -5.648 1.00 1.00 C ATOM 1029 O TYR A 98 -6.289 -0.724 -5.680 1.00 1.00 O ATOM 1030 CB TYR A 98 -5.998 -3.402 -4.002 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.252 -2.846 -3.370 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -7.159 -1.856 -2.384 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.507 -3.320 -3.770 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.321 -1.340 -1.799 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.669 -2.804 -3.184 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.576 -1.814 -2.199 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.708 -1.311 -1.628 1.00 1.00 O ATOM 0 H TYR A 98 -4.566 -4.694 -5.493 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.817 -3.181 -5.968 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -5.997 -4.487 -3.894 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.130 -3.027 -3.460 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.191 -1.491 -2.075 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.579 -4.084 -4.530 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -8.249 -0.576 -1.039 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.637 -3.170 -3.492 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.493 -1.747 -2.020 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.123 -1.372 -5.750 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.609 -0.022 -5.914 1.00 1.00 C ATOM 1049 C VAL A 99 -3.377 0.253 -7.401 1.00 1.00 C ATOM 1050 O VAL A 99 -2.473 1.005 -7.763 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.349 0.164 -5.068 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -1.653 1.485 -5.403 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -2.674 0.079 -3.575 1.00 1.00 C ATOM 0 H VAL A 99 -3.409 -2.100 -5.722 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.334 0.709 -5.557 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.662 -0.647 -5.308 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -0.760 1.592 -4.787 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.371 1.491 -6.456 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.332 2.314 -5.205 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -1.761 0.215 -2.996 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.389 0.859 -3.313 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.104 -0.897 -3.351 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.208 -0.371 -8.223 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.105 -0.203 -9.662 1.00 1.00 C ATOM 1065 C VAL A 100 -5.504 -0.255 -10.280 1.00 1.00 C ATOM 1066 O VAL A 100 -5.648 -0.475 -11.481 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.155 -1.252 -10.245 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.154 -1.201 -11.774 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.740 -1.079 -9.689 1.00 1.00 C ATOM 0 H VAL A 100 -4.956 -0.994 -7.919 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.680 0.771 -9.902 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.515 -2.235 -9.943 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.471 -1.956 -12.163 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.160 -1.396 -12.145 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.830 -0.214 -12.105 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.085 -1.837 -10.119 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.367 -0.088 -9.946 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.759 -1.189 -8.605 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.499 -0.047 -9.430 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.881 -0.067 -9.877 1.00 1.00 C ATOM 1081 C ALA A 101 -8.605 1.169 -9.339 1.00 1.00 C ATOM 1082 O ALA A 101 -9.765 1.088 -8.939 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.544 -1.372 -9.429 1.00 1.00 C ATOM 0 H ALA A 101 -6.375 0.136 -8.434 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.933 -0.032 -10.965 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.581 -1.387 -9.764 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.010 -2.218 -9.862 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.513 -1.441 -8.342 1.00 1.00 H new ATOM 1089 N SER A 102 -7.890 2.284 -9.347 1.00 1.00 N ATOM 1090 CA SER A 102 -8.449 3.535 -8.865 1.00 1.00 C ATOM 1091 C SER A 102 -7.458 4.677 -9.100 1.00 1.00 C ATOM 1092 O SER A 102 -7.857 5.790 -9.438 1.00 1.00 O ATOM 1093 CB SER A 102 -8.809 3.442 -7.380 1.00 1.00 C ATOM 1094 OG SER A 102 -10.218 3.460 -7.171 1.00 1.00 O ATOM 0 H SER A 102 -6.928 2.347 -9.680 1.00 1.00 H new ATOM 0 HA SER A 102 -9.364 3.737 -9.421 1.00 1.00 H new ATOM 0 HB2 SER A 102 -8.392 2.525 -6.962 1.00 1.00 H new ATOM 0 HB3 SER A 102 -8.352 4.273 -6.843 1.00 1.00 H new ATOM 0 HG SER A 102 -10.632 2.722 -7.666 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.185 4.361 -8.910 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.134 5.346 -9.098 1.00 1.00 C ATOM 1102 C PHE A 103 -3.784 4.668 -9.342 1.00 1.00 C ATOM 1103 O PHE A 103 -2.882 4.690 -8.507 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.053 6.165 -7.808 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.469 5.394 -6.554 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -4.863 4.215 -6.248 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.445 5.886 -5.745 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.249 3.499 -5.084 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -6.831 5.170 -4.581 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.225 3.991 -4.275 1.00 1.00 C ATOM 0 H PHE A 103 -5.858 3.437 -8.628 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.359 5.970 -9.963 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.031 6.522 -7.680 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -5.688 7.045 -7.908 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.088 3.824 -6.891 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -6.927 6.822 -5.988 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -4.767 2.563 -4.841 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.606 5.561 -3.938 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.519 3.446 -3.390 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.665 4.057 -10.523 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.478 3.356 -10.963 1.00 1.00 C ATOM 1122 C PRO A 104 -1.273 4.281 -10.865 1.00 1.00 C ATOM 1123 O PRO A 104 -1.418 5.462 -10.556 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.762 2.979 -12.416 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.274 2.911 -12.493 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.705 4.013 -11.528 1.00 1.00 C ATOM 0 HA PRO A 104 -2.255 2.478 -10.358 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.361 3.722 -13.106 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.306 2.023 -12.676 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.637 3.093 -13.505 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.652 1.935 -12.189 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -4.801 4.971 -12.040 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.675 3.791 -11.083 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.370 2.839 4.242 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.706 5.676 2.866 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.242 1.429 0.984 1.00 1.00 C HETATM 1138 CHC HEC A 201 -1.009 -0.117 5.430 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.126 4.303 7.264 1.00 1.00 C HETATM 1140 NA HEC A 201 0.905 3.408 2.319 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.376 4.663 1.972 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.480 4.780 0.537 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.075 3.604 0.013 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.716 2.747 1.118 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.996 3.217 -1.436 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.956 6.002 -0.192 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.443 6.294 -0.011 1.00 1.00 C HETATM 1148 CGA HEC A 201 3.658 7.529 0.851 1.00 1.00 C HETATM 1149 O1A HEC A 201 2.847 8.469 0.708 1.00 1.00 O HETATM 1150 O2A HEC A 201 4.629 7.510 1.637 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.266 1.033 3.366 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.211 0.643 2.039 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.695 -0.709 1.893 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.043 -1.141 3.124 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.778 -0.060 4.044 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.778 -1.457 0.594 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.602 -2.479 3.510 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.791 -3.664 2.992 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.238 2.190 6.023 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.837 0.989 6.364 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.325 1.041 7.722 1.00 1.00 C HETATM 1162 C3C HEC A 201 -1.026 2.265 8.205 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.349 2.984 7.151 1.00 1.00 C HETATM 1164 CMC HEC A 201 -2.029 -0.083 8.425 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.320 2.817 9.570 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.879 1.909 10.715 1.00 1.00 C HETATM 1167 ND HEC A 201 0.742 4.639 4.898 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.725 5.016 6.230 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.422 6.269 6.405 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.861 6.652 5.188 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.440 5.641 4.247 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.600 6.976 7.717 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.640 7.885 4.833 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.148 7.741 5.021 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.665 8.717 6.068 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.885 9.889 5.692 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.830 8.274 7.225 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.623 7.215 8.137 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.144 6.331 8.407 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.163 7.896 7.561 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.938 -0.339 7.881 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.374 -0.953 8.467 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.287 0.226 9.438 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.433 -0.921 -0.093 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.217 -1.539 0.157 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.179 -2.455 0.774 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.316 3.891 -1.956 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.987 3.284 -1.885 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.628 2.194 -1.520 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.384 6.721 5.322 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.655 7.918 4.072 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.393 0.951 10.638 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.198 1.749 10.658 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -1.126 2.378 11.667 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.756 -3.633 1.903 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.223 -3.613 3.389 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.260 -4.594 3.313 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.932 5.436 0.450 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.909 6.441 -0.985 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.437 8.144 3.794 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.285 8.715 5.444 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.747 5.883 -1.255 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.383 6.863 0.151 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.017 4.801 8.228 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.345 -1.069 5.841 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.229 0.994 -0.015 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.206 6.559 2.469 1.00 1.00 H new HETATM 0 H2D HEC A 201 4.644 8.982 7.876 1.00 1.00 H new HETATM 0 H2A HEC A 201 4.811 8.419 1.954 1.00 1.00 H new