USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 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 47 HIS : no HD1:sc= -2.71! C(o=-1.8!,f=-10!) USER MOD Set 1.2: A 201 HEC O2D : rot 141:sc= 0.906 USER MOD Single : A 33 THR OG1 : rot 81:sc= 0.799 USER MOD Single : A 34 HIS : no HD1:sc= -0.321 X(o=-0.32,f=0.052) USER MOD Single : A 41 GLN : amide:sc= -1.67 K(o=-1.7,f=-8.7!) USER MOD Single : A 44 ASN : amide:sc= -6.47! C(o=-6.5!,f=-14!) USER MOD Single : A 45 THR OG1 : rot 150:sc= -1.29 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0574 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0858 F(o=-2.1!,f=-0.086) USER MOD Single : A 64 THR OG1 : rot -125:sc= -0.8 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0962 X(o=-0.096,f=-5.8e-05) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -140:sc= -0.499 (180deg=-2.01!) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -1 (180deg=-1.99!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 96:sc= 1.97 USER MOD Single : A 201 HEC O2A : rot -130:sc= -0.531 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -11.849 -7.042 -5.250 1.00 1.00 N ATOM 2 CA ALA A 25 -12.026 -8.357 -5.842 1.00 1.00 C ATOM 3 C ALA A 25 -10.888 -9.273 -5.387 1.00 1.00 C ATOM 4 O ALA A 25 -10.085 -9.725 -6.202 1.00 1.00 O ATOM 5 CB ALA A 25 -12.095 -8.227 -7.365 1.00 1.00 C ATOM 0 HA ALA A 25 -12.963 -8.804 -5.510 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.228 -9.214 -7.809 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -12.936 -7.590 -7.638 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.170 -7.784 -7.735 1.00 1.00 H new ATOM 11 N GLY A 26 -10.854 -9.520 -4.085 1.00 1.00 N ATOM 12 CA GLY A 26 -9.828 -10.374 -3.512 1.00 1.00 C ATOM 13 C GLY A 26 -8.793 -9.548 -2.746 1.00 1.00 C ATOM 14 O GLY A 26 -8.877 -9.417 -1.526 1.00 1.00 O ATOM 0 H GLY A 26 -11.521 -9.143 -3.411 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.287 -11.101 -2.842 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.335 -10.938 -4.304 1.00 1.00 H new ATOM 18 N GLY A 27 -7.839 -9.013 -3.494 1.00 1.00 N ATOM 19 CA GLY A 27 -6.788 -8.203 -2.901 1.00 1.00 C ATOM 20 C GLY A 27 -7.376 -7.132 -1.980 1.00 1.00 C ATOM 21 O GLY A 27 -6.719 -6.690 -1.038 1.00 1.00 O ATOM 0 H GLY A 27 -7.772 -9.125 -4.506 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.108 -8.840 -2.336 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.201 -7.729 -3.688 1.00 1.00 H new ATOM 25 N GLY A 28 -8.606 -6.746 -2.283 1.00 1.00 N ATOM 26 CA GLY A 28 -9.289 -5.735 -1.494 1.00 1.00 C ATOM 27 C GLY A 28 -9.617 -6.261 -0.095 1.00 1.00 C ATOM 28 O GLY A 28 -9.438 -5.553 0.895 1.00 1.00 O ATOM 0 H GLY A 28 -9.148 -7.115 -3.064 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.663 -4.846 -1.415 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.207 -5.434 -1.998 1.00 1.00 H new ATOM 32 N GLU A 29 -10.091 -7.497 -0.058 1.00 1.00 N ATOM 33 CA GLU A 29 -10.445 -8.126 1.203 1.00 1.00 C ATOM 34 C GLU A 29 -9.251 -8.109 2.159 1.00 1.00 C ATOM 35 O GLU A 29 -9.425 -8.121 3.376 1.00 1.00 O ATOM 36 CB GLU A 29 -10.950 -9.553 0.981 1.00 1.00 C ATOM 37 CG GLU A 29 -11.429 -10.175 2.294 1.00 1.00 C ATOM 38 CD GLU A 29 -11.656 -11.680 2.137 1.00 1.00 C ATOM 39 OE1 GLU A 29 -10.742 -12.405 1.718 1.00 1.00 O ATOM 40 OE2 GLU A 29 -12.833 -12.091 2.470 1.00 1.00 O ATOM 0 H GLU A 29 -10.238 -8.080 -0.882 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.256 -7.555 1.656 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.766 -9.546 0.259 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.153 -10.163 0.555 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -10.692 -9.994 3.076 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -12.355 -9.695 2.611 1.00 1.00 H new ATOM 48 N LEU A 30 -8.064 -8.080 1.571 1.00 1.00 N ATOM 49 CA LEU A 30 -6.840 -8.061 2.355 1.00 1.00 C ATOM 50 C LEU A 30 -6.509 -6.618 2.740 1.00 1.00 C ATOM 51 O LEU A 30 -6.150 -6.344 3.884 1.00 1.00 O ATOM 52 CB LEU A 30 -5.712 -8.772 1.605 1.00 1.00 C ATOM 53 CG LEU A 30 -6.030 -10.177 1.090 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.811 -10.801 0.410 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.575 -11.062 2.213 1.00 1.00 C ATOM 0 H LEU A 30 -7.924 -8.069 0.561 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.973 -8.616 3.283 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.420 -8.153 0.757 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.847 -8.836 2.265 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.812 -10.095 0.336 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.065 -11.799 0.053 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.507 -10.181 -0.433 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.991 -10.869 1.125 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.793 -12.055 1.820 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.832 -11.141 3.007 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.488 -10.621 2.613 1.00 1.00 H new ATOM 67 N PHE A 31 -6.641 -5.733 1.763 1.00 1.00 N ATOM 68 CA PHE A 31 -6.360 -4.325 1.985 1.00 1.00 C ATOM 69 C PHE A 31 -7.427 -3.687 2.877 1.00 1.00 C ATOM 70 O PHE A 31 -7.202 -2.628 3.460 1.00 1.00 O ATOM 71 CB PHE A 31 -6.383 -3.643 0.615 1.00 1.00 C ATOM 72 CG PHE A 31 -6.380 -2.114 0.682 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.281 -1.419 0.286 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.478 -1.451 1.135 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.278 0.000 0.348 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.475 -0.033 1.197 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.375 0.663 0.802 1.00 1.00 C ATOM 0 H PHE A 31 -6.939 -5.964 0.815 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.396 -4.212 2.480 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.517 -3.973 0.041 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.269 -3.971 0.072 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.410 -1.946 -0.076 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.352 -2.003 1.447 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.404 0.552 0.035 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.346 0.493 1.558 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.373 1.742 0.849 1.00 1.00 H new ATOM 87 N ALA A 32 -8.567 -4.359 2.955 1.00 1.00 N ATOM 88 CA ALA A 32 -9.669 -3.871 3.766 1.00 1.00 C ATOM 89 C ALA A 32 -9.618 -4.538 5.142 1.00 1.00 C ATOM 90 O ALA A 32 -10.645 -4.964 5.668 1.00 1.00 O ATOM 91 CB ALA A 32 -10.991 -4.131 3.041 1.00 1.00 C ATOM 0 H ALA A 32 -8.751 -5.237 2.470 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.587 -2.795 3.918 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.818 -3.765 3.650 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.988 -3.612 2.082 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.110 -5.202 2.874 1.00 1.00 H new ATOM 97 N THR A 33 -8.412 -4.606 5.687 1.00 1.00 N ATOM 98 CA THR A 33 -8.214 -5.214 6.992 1.00 1.00 C ATOM 99 C THR A 33 -6.784 -4.972 7.481 1.00 1.00 C ATOM 100 O THR A 33 -6.563 -4.722 8.665 1.00 1.00 O ATOM 101 CB THR A 33 -8.577 -6.696 6.883 1.00 1.00 C ATOM 102 OG1 THR A 33 -9.981 -6.728 7.123 1.00 1.00 O ATOM 103 CG2 THR A 33 -7.985 -7.529 8.022 1.00 1.00 C ATOM 0 H THR A 33 -7.562 -4.250 5.249 1.00 1.00 H new ATOM 0 HA THR A 33 -8.862 -4.761 7.742 1.00 1.00 H new ATOM 0 HB THR A 33 -8.226 -7.086 5.928 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.459 -6.481 6.304 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.273 -8.573 7.897 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.898 -7.448 8.005 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.362 -7.161 8.976 1.00 1.00 H new ATOM 111 N HIS A 34 -5.851 -5.056 6.544 1.00 1.00 N ATOM 112 CA HIS A 34 -4.449 -4.849 6.865 1.00 1.00 C ATOM 113 C HIS A 34 -4.020 -3.451 6.418 1.00 1.00 C ATOM 114 O HIS A 34 -2.874 -3.054 6.620 1.00 1.00 O ATOM 115 CB HIS A 34 -3.584 -5.957 6.259 1.00 1.00 C ATOM 116 CG HIS A 34 -4.045 -7.353 6.601 1.00 1.00 C ATOM 117 ND1 HIS A 34 -3.751 -7.965 7.807 1.00 1.00 N ATOM 118 CD2 HIS A 34 -4.783 -8.249 5.884 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.291 -9.175 7.805 1.00 1.00 C ATOM 120 NE2 HIS A 34 -4.930 -9.349 6.612 1.00 1.00 N ATOM 0 H HIS A 34 -6.038 -5.264 5.563 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.307 -4.906 7.944 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.574 -5.844 5.175 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.557 -5.830 6.602 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.180 -8.090 4.892 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -4.235 -9.897 8.607 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.437 -10.187 6.327 1.00 1.00 H new ATOM 128 N CYS A 35 -4.965 -2.741 5.818 1.00 1.00 N ATOM 129 CA CYS A 35 -4.700 -1.395 5.340 1.00 1.00 C ATOM 130 C CYS A 35 -5.890 -0.509 5.714 1.00 1.00 C ATOM 131 O CYS A 35 -5.712 0.589 6.239 1.00 1.00 O ATOM 132 CB CYS A 35 -4.422 -1.373 3.836 1.00 1.00 C ATOM 133 SG CYS A 35 -3.436 -2.785 3.217 1.00 1.00 S ATOM 0 H CYS A 35 -5.915 -3.073 5.652 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.798 -1.009 5.815 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.374 -1.352 3.305 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.900 -0.448 3.591 1.00 1.00 H new ATOM 138 N ALA A 36 -7.079 -1.019 5.427 1.00 1.00 N ATOM 139 CA ALA A 36 -8.299 -0.289 5.726 1.00 1.00 C ATOM 140 C ALA A 36 -8.140 0.433 7.066 1.00 1.00 C ATOM 141 O ALA A 36 -8.649 1.539 7.244 1.00 1.00 O ATOM 142 CB ALA A 36 -9.486 -1.253 5.721 1.00 1.00 C ATOM 0 H ALA A 36 -7.223 -1.929 4.990 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.490 0.467 4.964 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.401 -0.705 5.945 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.573 -1.718 4.739 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.331 -2.025 6.475 1.00 1.00 H new ATOM 148 N GLY A 37 -7.433 -0.222 7.975 1.00 1.00 N ATOM 149 CA GLY A 37 -7.201 0.344 9.293 1.00 1.00 C ATOM 150 C GLY A 37 -6.049 1.351 9.263 1.00 1.00 C ATOM 151 O GLY A 37 -5.164 1.312 10.116 1.00 1.00 O ATOM 0 H GLY A 37 -7.013 -1.139 7.825 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.108 0.834 9.647 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.973 -0.454 10.000 1.00 1.00 H new ATOM 155 N CYS A 38 -6.098 2.228 8.271 1.00 1.00 N ATOM 156 CA CYS A 38 -5.070 3.244 8.119 1.00 1.00 C ATOM 157 C CYS A 38 -5.252 3.910 6.754 1.00 1.00 C ATOM 158 O CYS A 38 -4.965 5.095 6.594 1.00 1.00 O ATOM 159 CB CYS A 38 -3.667 2.657 8.286 1.00 1.00 C ATOM 160 SG CYS A 38 -2.961 3.172 9.894 1.00 1.00 S ATOM 0 H CYS A 38 -6.833 2.256 7.565 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.175 3.993 8.904 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.710 1.569 8.230 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.024 2.993 7.473 1.00 1.00 H new ATOM 165 N HIS A 39 -5.727 3.118 5.803 1.00 1.00 N ATOM 166 CA HIS A 39 -5.950 3.616 4.457 1.00 1.00 C ATOM 167 C HIS A 39 -7.440 3.533 4.119 1.00 1.00 C ATOM 168 O HIS A 39 -7.861 2.851 3.188 1.00 1.00 O ATOM 169 CB HIS A 39 -5.071 2.871 3.449 1.00 1.00 C ATOM 170 CG HIS A 39 -3.610 3.246 3.514 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.147 4.515 3.213 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.514 2.506 3.849 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.831 4.527 3.362 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.440 3.281 3.756 1.00 1.00 N ATOM 0 H HIS A 39 -5.963 2.135 5.939 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.658 4.665 4.401 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.168 1.799 3.620 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.442 3.068 2.443 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.722 5.307 2.925 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.519 1.466 4.140 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.182 5.375 3.200 1.00 1.00 H new ATOM 182 N PRO A 40 -8.238 4.255 4.909 1.00 1.00 N ATOM 183 CA PRO A 40 -9.677 4.324 4.770 1.00 1.00 C ATOM 184 C PRO A 40 -10.031 5.153 3.544 1.00 1.00 C ATOM 185 O PRO A 40 -9.742 6.348 3.530 1.00 1.00 O ATOM 186 CB PRO A 40 -10.161 5.004 6.049 1.00 1.00 C ATOM 187 CG PRO A 40 -8.947 5.992 6.339 1.00 1.00 C ATOM 188 CD PRO A 40 -7.776 5.068 6.013 1.00 1.00 C ATOM 0 HA PRO A 40 -10.139 3.346 4.637 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.101 5.536 5.904 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.319 4.294 6.861 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.969 6.878 5.704 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.929 6.340 7.372 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.888 5.638 5.739 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.508 4.452 6.872 1.00 1.00 H new ATOM 196 N GLN A 41 -10.639 4.517 2.553 1.00 1.00 N ATOM 197 CA GLN A 41 -11.019 5.215 1.337 1.00 1.00 C ATOM 198 C GLN A 41 -9.807 5.925 0.731 1.00 1.00 C ATOM 199 O GLN A 41 -9.809 7.146 0.579 1.00 1.00 O ATOM 200 CB GLN A 41 -12.156 6.204 1.605 1.00 1.00 C ATOM 201 CG GLN A 41 -13.496 5.642 1.125 1.00 1.00 C ATOM 202 CD GLN A 41 -13.853 4.358 1.876 1.00 1.00 C ATOM 203 OE1 GLN A 41 -13.101 3.859 2.697 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.039 3.853 1.550 1.00 1.00 N ATOM 0 H GLN A 41 -10.878 3.525 2.568 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.382 4.480 0.618 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.210 6.421 2.672 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.950 7.147 1.098 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -14.280 6.384 1.274 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.447 5.440 0.055 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.619 4.322 0.854 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -15.369 2.997 1.996 1.00 1.00 H new ATOM 213 N GLY A 42 -8.799 5.130 0.402 1.00 1.00 N ATOM 214 CA GLY A 42 -7.582 5.667 -0.183 1.00 1.00 C ATOM 215 C GLY A 42 -7.110 6.908 0.576 1.00 1.00 C ATOM 216 O GLY A 42 -6.441 7.770 0.008 1.00 1.00 O ATOM 0 H GLY A 42 -8.800 4.118 0.530 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.801 4.907 -0.167 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.758 5.921 -1.228 1.00 1.00 H new ATOM 220 N GLY A 43 -7.477 6.960 1.848 1.00 1.00 N ATOM 221 CA GLY A 43 -7.100 8.082 2.690 1.00 1.00 C ATOM 222 C GLY A 43 -5.993 7.684 3.670 1.00 1.00 C ATOM 223 O GLY A 43 -5.281 6.707 3.444 1.00 1.00 O ATOM 0 H GLY A 43 -8.032 6.243 2.316 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.760 8.910 2.068 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.970 8.435 3.243 1.00 1.00 H new ATOM 227 N ASN A 44 -5.883 8.462 4.736 1.00 1.00 N ATOM 228 CA ASN A 44 -4.876 8.203 5.751 1.00 1.00 C ATOM 229 C ASN A 44 -5.391 8.682 7.109 1.00 1.00 C ATOM 230 O ASN A 44 -6.082 9.697 7.193 1.00 1.00 O ATOM 231 CB ASN A 44 -3.580 8.957 5.444 1.00 1.00 C ATOM 232 CG ASN A 44 -2.961 8.473 4.131 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.600 8.430 3.093 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.685 8.112 4.235 1.00 1.00 N ATOM 0 H ASN A 44 -6.475 9.272 4.919 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.677 7.131 5.763 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.783 10.026 5.382 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.870 8.814 6.259 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.182 7.774 3.414 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.209 8.173 5.135 1.00 1.00 H new ATOM 241 N THR A 45 -5.036 7.930 8.140 1.00 1.00 N ATOM 242 CA THR A 45 -5.454 8.265 9.491 1.00 1.00 C ATOM 243 C THR A 45 -4.262 8.764 10.309 1.00 1.00 C ATOM 244 O THR A 45 -4.413 9.129 11.474 1.00 1.00 O ATOM 245 CB THR A 45 -6.133 7.034 10.094 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.227 5.968 9.820 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.408 6.641 9.345 1.00 1.00 C ATOM 0 H THR A 45 -4.463 7.089 8.067 1.00 1.00 H new ATOM 0 HA THR A 45 -6.174 9.084 9.492 1.00 1.00 H new ATOM 0 HB THR A 45 -6.372 7.228 11.140 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.298 5.289 10.523 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.849 5.762 9.814 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.119 7.466 9.379 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.165 6.415 8.307 1.00 1.00 H new ATOM 255 N VAL A 46 -3.103 8.765 9.668 1.00 1.00 N ATOM 256 CA VAL A 46 -1.885 9.213 10.322 1.00 1.00 C ATOM 257 C VAL A 46 -1.395 10.498 9.651 1.00 1.00 C ATOM 258 O VAL A 46 -1.251 11.529 10.307 1.00 1.00 O ATOM 259 CB VAL A 46 -0.841 8.095 10.308 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.480 8.571 10.915 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.360 6.851 11.032 1.00 1.00 C ATOM 0 H VAL A 46 -2.981 8.462 8.702 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.077 9.446 11.369 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.654 7.824 9.269 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.205 7.757 10.893 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.863 9.413 10.339 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.315 8.882 11.947 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.599 6.071 11.007 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.589 7.102 12.068 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.263 6.492 10.537 1.00 1.00 H new ATOM 271 N HIS A 47 -1.151 10.394 8.353 1.00 1.00 N ATOM 272 CA HIS A 47 -0.679 11.534 7.586 1.00 1.00 C ATOM 273 C HIS A 47 -1.723 11.912 6.534 1.00 1.00 C ATOM 274 O HIS A 47 -1.965 11.193 5.567 1.00 1.00 O ATOM 275 CB HIS A 47 0.697 11.251 6.981 1.00 1.00 C ATOM 276 CG HIS A 47 1.814 11.192 7.996 1.00 1.00 C ATOM 277 ND1 HIS A 47 3.138 11.000 7.643 1.00 1.00 N ATOM 278 CD2 HIS A 47 1.789 11.301 9.356 1.00 1.00 C ATOM 279 CE1 HIS A 47 3.869 10.996 8.748 1.00 1.00 C ATOM 280 NE2 HIS A 47 3.031 11.182 9.809 1.00 1.00 N ATOM 0 H HIS A 47 -1.271 9.537 7.813 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.551 12.392 8.246 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.658 10.304 6.443 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.926 12.025 6.248 1.00 1.00 H new ATOM 0 HD2 HIS A 47 0.908 11.458 9.961 1.00 1.00 H new ATOM 0 HE1 HIS A 47 4.940 10.868 8.800 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.313 11.223 10.788 1.00 1.00 H new ATOM 288 N PRO A 48 -2.345 13.074 6.747 1.00 1.00 N ATOM 289 CA PRO A 48 -3.364 13.626 5.880 1.00 1.00 C ATOM 290 C PRO A 48 -2.705 14.374 4.730 1.00 1.00 C ATOM 291 O PRO A 48 -3.378 15.168 4.075 1.00 1.00 O ATOM 292 CB PRO A 48 -4.160 14.579 6.768 1.00 1.00 C ATOM 293 CG PRO A 48 -3.066 15.103 7.710 1.00 1.00 C ATOM 294 CD PRO A 48 -2.085 13.945 7.873 1.00 1.00 C ATOM 0 HA PRO A 48 -4.004 12.862 5.438 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.627 15.380 6.195 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.957 14.068 7.308 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.573 15.980 7.291 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -3.485 15.402 8.671 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -1.054 14.298 7.869 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -2.241 13.425 8.818 1.00 1.00 H new ATOM 302 N GLU A 49 -1.425 14.115 4.508 1.00 1.00 N ATOM 303 CA GLU A 49 -0.702 14.777 3.436 1.00 1.00 C ATOM 304 C GLU A 49 -0.004 13.743 2.550 1.00 1.00 C ATOM 305 O GLU A 49 0.709 14.103 1.614 1.00 1.00 O ATOM 306 CB GLU A 49 0.302 15.788 3.994 1.00 1.00 C ATOM 307 CG GLU A 49 -0.326 16.624 5.111 1.00 1.00 C ATOM 308 CD GLU A 49 -0.596 18.054 4.640 1.00 1.00 C ATOM 309 OE1 GLU A 49 0.350 18.829 4.434 1.00 1.00 O ATOM 310 OE2 GLU A 49 -1.842 18.351 4.487 1.00 1.00 O ATOM 0 H GLU A 49 -0.870 13.455 5.053 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.419 15.326 2.825 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.178 15.263 4.376 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.647 16.443 3.194 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -1.258 16.162 5.435 1.00 1.00 H new ATOM 0 HG3 GLU A 49 0.339 16.641 5.975 1.00 1.00 H new ATOM 318 N LYS A 50 -0.233 12.480 2.875 1.00 1.00 N ATOM 319 CA LYS A 50 0.365 11.392 2.120 1.00 1.00 C ATOM 320 C LYS A 50 -0.721 10.383 1.741 1.00 1.00 C ATOM 321 O LYS A 50 -0.755 9.273 2.270 1.00 1.00 O ATOM 322 CB LYS A 50 1.530 10.777 2.898 1.00 1.00 C ATOM 323 CG LYS A 50 2.457 11.864 3.447 1.00 1.00 C ATOM 324 CD LYS A 50 3.513 12.258 2.413 1.00 1.00 C ATOM 325 CE LYS A 50 3.926 13.722 2.580 1.00 1.00 C ATOM 326 NZ LYS A 50 5.099 13.830 3.476 1.00 1.00 N ATOM 0 H LYS A 50 -0.825 12.185 3.652 1.00 1.00 H new ATOM 0 HA LYS A 50 0.794 11.765 1.190 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.145 10.173 3.720 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.093 10.108 2.248 1.00 1.00 H new ATOM 0 HG2 LYS A 50 1.871 12.740 3.725 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.946 11.506 4.353 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.387 11.616 2.518 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.120 12.100 1.409 1.00 1.00 H new ATOM 0 HE2 LYS A 50 4.163 14.152 1.607 1.00 1.00 H new ATOM 0 HE3 LYS A 50 3.095 14.296 2.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 5.366 14.830 3.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 4.860 13.438 4.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 5.896 13.298 3.071 1.00 1.00 H new ATOM 339 N THR A 51 -1.582 10.806 0.827 1.00 1.00 N ATOM 340 CA THR A 51 -2.667 9.953 0.370 1.00 1.00 C ATOM 341 C THR A 51 -2.169 8.988 -0.708 1.00 1.00 C ATOM 342 O THR A 51 -0.977 8.951 -1.010 1.00 1.00 O ATOM 343 CB THR A 51 -3.810 10.854 -0.102 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.198 11.721 -1.053 1.00 1.00 O ATOM 345 CG2 THR A 51 -4.305 11.796 0.997 1.00 1.00 C ATOM 0 H THR A 51 -1.551 11.727 0.391 1.00 1.00 H new ATOM 0 HA THR A 51 -3.042 9.324 1.177 1.00 1.00 H new ATOM 0 HB THR A 51 -4.638 10.237 -0.451 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.869 12.339 -1.412 1.00 1.00 H new ATOM 0 HG21 THR A 51 -5.116 12.413 0.610 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.667 11.211 1.842 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.486 12.437 1.323 1.00 1.00 H new ATOM 353 N LEU A 52 -3.106 8.231 -1.259 1.00 1.00 N ATOM 354 CA LEU A 52 -2.778 7.269 -2.297 1.00 1.00 C ATOM 355 C LEU A 52 -2.959 7.923 -3.668 1.00 1.00 C ATOM 356 O LEU A 52 -3.135 7.232 -4.671 1.00 1.00 O ATOM 357 CB LEU A 52 -3.591 5.986 -2.115 1.00 1.00 C ATOM 358 CG LEU A 52 -3.328 5.202 -0.827 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.210 3.954 -0.755 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.843 4.862 -0.686 1.00 1.00 C ATOM 0 H LEU A 52 -4.094 8.264 -1.006 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.733 6.969 -2.222 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.650 6.242 -2.151 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.393 5.330 -2.963 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.596 5.835 0.019 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.003 3.415 0.170 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.259 4.248 -0.777 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.997 3.308 -1.607 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.683 4.305 0.237 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.526 4.256 -1.535 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.260 5.783 -0.660 1.00 1.00 H new ATOM 372 N ALA A 53 -2.911 9.247 -3.668 1.00 1.00 N ATOM 373 CA ALA A 53 -3.068 10.002 -4.900 1.00 1.00 C ATOM 374 C ALA A 53 -1.783 9.896 -5.724 1.00 1.00 C ATOM 375 O ALA A 53 -0.692 10.146 -5.215 1.00 1.00 O ATOM 376 CB ALA A 53 -3.430 11.450 -4.568 1.00 1.00 C ATOM 0 H ALA A 53 -2.766 9.817 -2.834 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.880 9.593 -5.501 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.548 12.017 -5.492 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.364 11.472 -4.007 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.636 11.895 -3.968 1.00 1.00 H new ATOM 382 N ARG A 54 -1.956 9.526 -6.985 1.00 1.00 N ATOM 383 CA ARG A 54 -0.824 9.384 -7.885 1.00 1.00 C ATOM 384 C ARG A 54 0.073 10.621 -7.808 1.00 1.00 C ATOM 385 O ARG A 54 1.278 10.505 -7.589 1.00 1.00 O ATOM 386 CB ARG A 54 -1.290 9.189 -9.329 1.00 1.00 C ATOM 387 CG ARG A 54 -0.100 8.953 -10.262 1.00 1.00 C ATOM 388 CD ARG A 54 -0.323 9.629 -11.616 1.00 1.00 C ATOM 389 NE ARG A 54 0.576 9.036 -12.632 1.00 1.00 N ATOM 390 CZ ARG A 54 0.990 9.680 -13.743 1.00 1.00 C ATOM 391 NH1 ARG A 54 1.794 9.054 -14.583 1.00 1.00 N ATOM 392 NH2 ARG A 54 0.589 10.944 -13.993 1.00 1.00 N ATOM 0 H ARG A 54 -2.863 9.320 -7.404 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.262 8.503 -7.575 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.973 8.341 -9.383 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.846 10.067 -9.657 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.809 9.341 -9.803 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.047 7.883 -10.406 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -1.362 9.511 -11.924 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -0.135 10.699 -11.533 1.00 1.00 H new ATOM 0 HE ARG A 54 0.903 8.081 -12.483 1.00 1.00 H new ATOM 0 HH11 ARG A 54 2.092 8.099 -14.387 1.00 1.00 H new ATOM 0 HH12 ARG A 54 2.117 9.526 -15.428 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -0.032 11.421 -13.339 1.00 1.00 H new ATOM 0 HH22 ARG A 54 0.907 11.423 -14.836 1.00 1.00 H new ATOM 402 N ALA A 55 -0.549 11.776 -7.992 1.00 1.00 N ATOM 403 CA ALA A 55 0.178 13.033 -7.946 1.00 1.00 C ATOM 404 C ALA A 55 1.192 12.989 -6.801 1.00 1.00 C ATOM 405 O ALA A 55 2.246 13.620 -6.876 1.00 1.00 O ATOM 406 CB ALA A 55 -0.812 14.191 -7.804 1.00 1.00 C ATOM 0 H ALA A 55 -1.549 11.868 -8.173 1.00 1.00 H new ATOM 0 HA ALA A 55 0.732 13.190 -8.871 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.266 15.134 -7.769 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.491 14.196 -8.657 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.385 14.069 -6.885 1.00 1.00 H new ATOM 412 N ARG A 56 0.839 12.239 -5.768 1.00 1.00 N ATOM 413 CA ARG A 56 1.705 12.105 -4.610 1.00 1.00 C ATOM 414 C ARG A 56 2.595 10.868 -4.752 1.00 1.00 C ATOM 415 O ARG A 56 3.816 10.962 -4.645 1.00 1.00 O ATOM 416 CB ARG A 56 0.887 11.991 -3.321 1.00 1.00 C ATOM 417 CG ARG A 56 1.097 13.215 -2.429 1.00 1.00 C ATOM 418 CD ARG A 56 2.527 13.261 -1.887 1.00 1.00 C ATOM 419 NE ARG A 56 2.767 14.550 -1.201 1.00 1.00 N ATOM 420 CZ ARG A 56 2.825 15.743 -1.829 1.00 1.00 C ATOM 421 NH1 ARG A 56 3.045 16.832 -1.117 1.00 1.00 N ATOM 422 NH2 ARG A 56 2.659 15.822 -3.167 1.00 1.00 N ATOM 0 H ARG A 56 -0.036 11.718 -5.709 1.00 1.00 H new ATOM 0 HA ARG A 56 2.326 12.999 -4.555 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.171 11.891 -3.565 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.176 11.089 -2.781 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.890 14.122 -2.996 1.00 1.00 H new ATOM 0 HG3 ARG A 56 0.391 13.190 -1.599 1.00 1.00 H new ATOM 0 HD2 ARG A 56 2.689 12.435 -1.194 1.00 1.00 H new ATOM 0 HD3 ARG A 56 3.238 13.136 -2.703 1.00 1.00 H new ATOM 0 HE ARG A 56 2.897 14.536 -0.189 1.00 1.00 H new ATOM 0 HH11 ARG A 56 3.168 16.765 -0.107 1.00 1.00 H new ATOM 0 HH12 ARG A 56 3.092 17.741 -1.577 1.00 1.00 H new ATOM 0 HH21 ARG A 56 2.488 14.976 -3.711 1.00 1.00 H new ATOM 0 HH22 ARG A 56 2.704 16.728 -3.634 1.00 1.00 H new ATOM 432 N ARG A 57 1.947 9.737 -4.991 1.00 1.00 N ATOM 433 CA ARG A 57 2.664 8.483 -5.149 1.00 1.00 C ATOM 434 C ARG A 57 3.695 8.600 -6.274 1.00 1.00 C ATOM 435 O ARG A 57 4.598 7.772 -6.381 1.00 1.00 O ATOM 436 CB ARG A 57 1.703 7.335 -5.465 1.00 1.00 C ATOM 437 CG ARG A 57 1.319 6.576 -4.192 1.00 1.00 C ATOM 438 CD ARG A 57 1.060 5.099 -4.492 1.00 1.00 C ATOM 439 NE ARG A 57 -0.390 4.867 -4.677 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.049 5.083 -5.836 1.00 1.00 C ATOM 441 NH1 ARG A 57 -2.346 4.842 -5.889 1.00 1.00 N ATOM 442 NH2 ARG A 57 -0.392 5.538 -6.924 1.00 1.00 N ATOM 0 H ARG A 57 0.934 9.663 -5.079 1.00 1.00 H new ATOM 0 HA ARG A 57 3.170 8.269 -4.208 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.806 7.728 -5.943 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.169 6.651 -6.174 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.117 6.667 -3.455 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.427 7.023 -3.752 1.00 1.00 H new ATOM 0 HD2 ARG A 57 1.602 4.801 -5.390 1.00 1.00 H new ATOM 0 HD3 ARG A 57 1.434 4.482 -3.675 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.925 4.523 -3.880 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -2.835 4.498 -5.063 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -2.859 5.000 -6.756 1.00 1.00 H new ATOM 0 HH21 ARG A 57 0.610 5.721 -6.875 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -0.898 5.698 -7.795 1.00 1.00 H new ATOM 452 N GLU A 58 3.525 9.634 -7.084 1.00 1.00 N ATOM 453 CA GLU A 58 4.430 9.870 -8.197 1.00 1.00 C ATOM 454 C GLU A 58 5.694 10.582 -7.712 1.00 1.00 C ATOM 455 O GLU A 58 6.806 10.165 -8.030 1.00 1.00 O ATOM 456 CB GLU A 58 3.740 10.669 -9.304 1.00 1.00 C ATOM 457 CG GLU A 58 4.016 12.166 -9.153 1.00 1.00 C ATOM 458 CD GLU A 58 3.426 12.954 -10.324 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.200 12.968 -10.507 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.291 13.568 -11.059 1.00 1.00 O ATOM 0 H GLU A 58 2.774 10.318 -6.992 1.00 1.00 H new ATOM 0 HA GLU A 58 4.719 8.906 -8.616 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.092 10.327 -10.277 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.666 10.489 -9.272 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.589 12.525 -8.217 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.091 12.337 -9.100 1.00 1.00 H new ATOM 468 N ALA A 59 5.480 11.645 -6.950 1.00 1.00 N ATOM 469 CA ALA A 59 6.588 12.419 -6.418 1.00 1.00 C ATOM 470 C ALA A 59 7.623 11.470 -5.810 1.00 1.00 C ATOM 471 O ALA A 59 8.819 11.604 -6.064 1.00 1.00 O ATOM 472 CB ALA A 59 6.061 13.435 -5.402 1.00 1.00 C ATOM 0 H ALA A 59 4.556 11.988 -6.689 1.00 1.00 H new ATOM 0 HA ALA A 59 7.081 12.979 -7.213 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.893 14.016 -5.003 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.353 14.104 -5.890 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.562 12.910 -4.588 1.00 1.00 H new ATOM 478 N ASN A 60 7.124 10.532 -5.018 1.00 1.00 N ATOM 479 CA ASN A 60 7.990 9.561 -4.372 1.00 1.00 C ATOM 480 C ASN A 60 8.365 8.469 -5.376 1.00 1.00 C ATOM 481 O ASN A 60 9.399 7.818 -5.234 1.00 1.00 O ATOM 482 CB ASN A 60 7.284 8.893 -3.190 1.00 1.00 C ATOM 483 CG ASN A 60 7.270 9.813 -1.968 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.887 11.059 -2.233 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.587 9.418 -0.858 1.00 1.00 N flip ATOM 0 H ASN A 60 6.131 10.424 -4.809 1.00 1.00 H new ATOM 0 HA ASN A 60 8.876 10.086 -4.014 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.262 8.638 -3.469 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.789 7.959 -2.941 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.871 8.448 -0.724 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.568 10.058 -0.064 1.00 1.00 H new ATOM 492 N GLY A 61 7.504 8.303 -6.370 1.00 1.00 N ATOM 493 CA GLY A 61 7.732 7.302 -7.398 1.00 1.00 C ATOM 494 C GLY A 61 7.287 5.918 -6.923 1.00 1.00 C ATOM 495 O GLY A 61 8.118 5.044 -6.681 1.00 1.00 O ATOM 0 H GLY A 61 6.648 8.845 -6.485 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.187 7.573 -8.302 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.790 7.278 -7.659 1.00 1.00 H new ATOM 499 N ILE A 62 5.976 5.761 -6.804 1.00 1.00 N ATOM 500 CA ILE A 62 5.411 4.498 -6.362 1.00 1.00 C ATOM 501 C ILE A 62 4.224 4.134 -7.257 1.00 1.00 C ATOM 502 O ILE A 62 3.101 3.991 -6.777 1.00 1.00 O ATOM 503 CB ILE A 62 5.063 4.557 -4.874 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.327 4.664 -4.019 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.194 3.366 -4.465 1.00 1.00 C ATOM 506 CD1 ILE A 62 6.007 4.451 -2.538 1.00 1.00 C ATOM 0 H ILE A 62 5.290 6.488 -7.006 1.00 1.00 H new ATOM 0 HA ILE A 62 6.144 3.698 -6.462 1.00 1.00 H new ATOM 0 HB ILE A 62 4.477 5.459 -4.697 1.00 1.00 H new ATOM 0 HG12 ILE A 62 7.056 3.923 -4.347 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.783 5.644 -4.159 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.962 3.433 -3.402 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.268 3.376 -5.040 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.732 2.439 -4.661 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.923 4.532 -1.953 1.00 1.00 H new ATOM 0 HD12 ILE A 62 5.296 5.208 -2.207 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.574 3.461 -2.398 1.00 1.00 H new ATOM 518 N ARG A 63 4.514 3.996 -8.543 1.00 1.00 N ATOM 519 CA ARG A 63 3.485 3.652 -9.509 1.00 1.00 C ATOM 520 C ARG A 63 3.771 2.281 -10.124 1.00 1.00 C ATOM 521 O ARG A 63 3.916 2.160 -11.339 1.00 1.00 O ATOM 522 CB ARG A 63 3.405 4.697 -10.624 1.00 1.00 C ATOM 523 CG ARG A 63 3.565 6.111 -10.063 1.00 1.00 C ATOM 524 CD ARG A 63 4.744 6.832 -10.720 1.00 1.00 C ATOM 525 NE ARG A 63 6.020 6.281 -10.213 1.00 1.00 N ATOM 526 CZ ARG A 63 7.181 6.302 -10.902 1.00 1.00 C ATOM 527 NH1 ARG A 63 8.262 5.781 -10.352 1.00 1.00 N ATOM 528 NH2 ARG A 63 7.235 6.849 -12.135 1.00 1.00 N ATOM 0 H ARG A 63 5.447 4.116 -8.938 1.00 1.00 H new ATOM 0 HA ARG A 63 2.531 3.626 -8.982 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.183 4.505 -11.363 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.448 4.612 -11.139 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.649 6.678 -10.230 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.719 6.063 -8.985 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.693 6.717 -11.803 1.00 1.00 H new ATOM 0 HD3 ARG A 63 4.691 7.900 -10.510 1.00 1.00 H new ATOM 0 HE ARG A 63 6.023 5.859 -9.285 1.00 1.00 H new ATOM 0 HH11 ARG A 63 8.212 5.370 -9.420 1.00 1.00 H new ATOM 0 HH12 ARG A 63 9.147 5.789 -10.859 1.00 1.00 H new ATOM 0 HH21 ARG A 63 6.395 7.250 -12.552 1.00 1.00 H new ATOM 0 HH22 ARG A 63 8.116 6.861 -12.649 1.00 1.00 H new ATOM 538 N THR A 64 3.843 1.282 -9.256 1.00 1.00 N ATOM 539 CA THR A 64 4.110 -0.076 -9.699 1.00 1.00 C ATOM 540 C THR A 64 3.540 -1.084 -8.699 1.00 1.00 C ATOM 541 O THR A 64 3.513 -0.824 -7.497 1.00 1.00 O ATOM 542 CB THR A 64 5.618 -0.217 -9.911 1.00 1.00 C ATOM 543 OG1 THR A 64 6.187 0.282 -8.703 1.00 1.00 O ATOM 544 CG2 THR A 64 6.149 0.729 -10.991 1.00 1.00 C ATOM 0 H THR A 64 3.721 1.386 -8.249 1.00 1.00 H new ATOM 0 HA THR A 64 3.614 -0.288 -10.646 1.00 1.00 H new ATOM 0 HB THR A 64 5.851 -1.246 -10.183 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.826 0.995 -8.912 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.224 0.588 -11.101 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.656 0.513 -11.939 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.946 1.760 -10.703 1.00 1.00 H new ATOM 552 N VAL A 65 3.098 -2.213 -9.232 1.00 1.00 N ATOM 553 CA VAL A 65 2.530 -3.261 -8.402 1.00 1.00 C ATOM 554 C VAL A 65 3.582 -3.736 -7.397 1.00 1.00 C ATOM 555 O VAL A 65 3.312 -3.808 -6.199 1.00 1.00 O ATOM 556 CB VAL A 65 1.991 -4.392 -9.281 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.795 -5.673 -8.468 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.691 -3.976 -9.972 1.00 1.00 C ATOM 0 H VAL A 65 3.122 -2.425 -10.229 1.00 1.00 H new ATOM 0 HA VAL A 65 1.683 -2.879 -7.832 1.00 1.00 H new ATOM 0 HB VAL A 65 2.731 -4.597 -10.055 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.411 -6.460 -9.117 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.750 -5.985 -8.044 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.084 -5.488 -7.663 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.329 -4.797 -10.591 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.059 -3.730 -9.220 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.875 -3.104 -10.599 1.00 1.00 H new ATOM 568 N ARG A 66 4.758 -4.046 -7.921 1.00 1.00 N ATOM 569 CA ARG A 66 5.852 -4.511 -7.085 1.00 1.00 C ATOM 570 C ARG A 66 6.022 -3.591 -5.874 1.00 1.00 C ATOM 571 O ARG A 66 5.788 -4.003 -4.739 1.00 1.00 O ATOM 572 CB ARG A 66 7.164 -4.558 -7.870 1.00 1.00 C ATOM 573 CG ARG A 66 7.150 -5.695 -8.893 1.00 1.00 C ATOM 574 CD ARG A 66 8.430 -5.695 -9.731 1.00 1.00 C ATOM 575 NE ARG A 66 8.684 -7.050 -10.268 1.00 1.00 N ATOM 576 CZ ARG A 66 7.957 -7.623 -11.251 1.00 1.00 C ATOM 577 NH1 ARG A 66 8.273 -8.840 -11.654 1.00 1.00 N ATOM 578 NH2 ARG A 66 6.923 -6.962 -11.813 1.00 1.00 N ATOM 0 H ARG A 66 4.978 -3.984 -8.915 1.00 1.00 H new ATOM 0 HA ARG A 66 5.608 -5.519 -6.749 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.321 -3.607 -8.380 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.999 -4.693 -7.182 1.00 1.00 H new ATOM 0 HG2 ARG A 66 7.048 -6.651 -8.379 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.284 -5.591 -9.546 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.338 -4.982 -10.550 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.274 -5.373 -9.121 1.00 1.00 H new ATOM 0 HE ARG A 66 9.457 -7.585 -9.871 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.056 -9.332 -11.224 1.00 1.00 H new ATOM 0 HH12 ARG A 66 7.734 -9.288 -12.395 1.00 1.00 H new ATOM 0 HH21 ARG A 66 6.686 -6.022 -11.496 1.00 1.00 H new ATOM 0 HH22 ARG A 66 6.379 -7.402 -12.555 1.00 1.00 H new ATOM 588 N ASP A 67 6.429 -2.362 -6.158 1.00 1.00 N ATOM 589 CA ASP A 67 6.634 -1.380 -5.107 1.00 1.00 C ATOM 590 C ASP A 67 5.562 -1.562 -4.030 1.00 1.00 C ATOM 591 O ASP A 67 5.851 -1.459 -2.838 1.00 1.00 O ATOM 592 CB ASP A 67 6.518 0.044 -5.653 1.00 1.00 C ATOM 593 CG ASP A 67 7.787 0.589 -6.312 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.658 -0.177 -6.751 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.865 1.875 -6.366 1.00 1.00 O ATOM 0 H ASP A 67 6.622 -2.024 -7.101 1.00 1.00 H new ATOM 0 HA ASP A 67 7.633 -1.528 -4.697 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.707 0.073 -6.381 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.237 0.709 -4.836 1.00 1.00 H new ATOM 601 N VAL A 68 4.348 -1.828 -4.487 1.00 1.00 N ATOM 602 CA VAL A 68 3.232 -2.025 -3.578 1.00 1.00 C ATOM 603 C VAL A 68 3.149 -3.503 -3.191 1.00 1.00 C ATOM 604 O VAL A 68 2.101 -4.130 -3.342 1.00 1.00 O ATOM 605 CB VAL A 68 1.942 -1.499 -4.211 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.779 -1.562 -3.219 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.132 -0.078 -4.744 1.00 1.00 C ATOM 0 H VAL A 68 4.112 -1.912 -5.476 1.00 1.00 H new ATOM 0 HA VAL A 68 3.383 -1.457 -2.660 1.00 1.00 H new ATOM 0 HB VAL A 68 1.697 -2.143 -5.056 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.126 -1.182 -3.694 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.620 -2.595 -2.910 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.013 -0.953 -2.345 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.200 0.271 -5.189 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.414 0.583 -3.925 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.918 -0.075 -5.499 1.00 1.00 H new ATOM 617 N ALA A 69 4.267 -4.017 -2.701 1.00 1.00 N ATOM 618 CA ALA A 69 4.334 -5.410 -2.292 1.00 1.00 C ATOM 619 C ALA A 69 5.674 -5.670 -1.600 1.00 1.00 C ATOM 620 O ALA A 69 5.732 -6.385 -0.601 1.00 1.00 O ATOM 621 CB ALA A 69 4.122 -6.311 -3.510 1.00 1.00 C ATOM 0 H ALA A 69 5.134 -3.494 -2.578 1.00 1.00 H new ATOM 0 HA ALA A 69 3.544 -5.638 -1.577 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.172 -7.356 -3.203 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.144 -6.108 -3.947 1.00 1.00 H new ATOM 0 HB3 ALA A 69 4.898 -6.112 -4.249 1.00 1.00 H new ATOM 627 N ALA A 70 6.717 -5.076 -2.160 1.00 1.00 N ATOM 628 CA ALA A 70 8.053 -5.234 -1.610 1.00 1.00 C ATOM 629 C ALA A 70 8.229 -4.280 -0.427 1.00 1.00 C ATOM 630 O ALA A 70 8.385 -4.686 0.723 1.00 1.00 O ATOM 631 CB ALA A 70 9.090 -4.997 -2.710 1.00 1.00 C ATOM 0 H ALA A 70 6.664 -4.484 -2.989 1.00 1.00 H new ATOM 0 HA ALA A 70 8.198 -6.249 -1.239 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.092 -5.116 -2.297 1.00 1.00 H new ATOM 0 HB2 ALA A 70 8.940 -5.719 -3.513 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.977 -3.987 -3.105 1.00 1.00 H new ATOM 637 N TYR A 71 8.200 -2.982 -0.740 1.00 1.00 N ATOM 638 CA TYR A 71 8.355 -1.951 0.267 1.00 1.00 C ATOM 639 C TYR A 71 7.527 -2.301 1.495 1.00 1.00 C ATOM 640 O TYR A 71 8.072 -2.307 2.597 1.00 1.00 O ATOM 641 CB TYR A 71 7.922 -0.608 -0.313 1.00 1.00 C ATOM 642 CG TYR A 71 9.075 0.243 -0.789 1.00 1.00 C ATOM 643 CD1 TYR A 71 10.226 0.365 -0.002 1.00 1.00 C ATOM 644 CD2 TYR A 71 8.992 0.910 -2.018 1.00 1.00 C ATOM 645 CE1 TYR A 71 11.295 1.153 -0.444 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.062 1.698 -2.459 1.00 1.00 C ATOM 647 CZ TYR A 71 11.213 1.820 -1.672 1.00 1.00 C ATOM 648 OH TYR A 71 12.255 2.588 -2.102 1.00 1.00 O ATOM 0 H TYR A 71 8.070 -2.628 -1.688 1.00 1.00 H new ATOM 0 HA TYR A 71 9.401 -1.883 0.567 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.242 -0.784 -1.147 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.363 -0.058 0.444 1.00 1.00 H new ATOM 0 HD1 TYR A 71 10.289 -0.149 0.946 1.00 1.00 H new ATOM 0 HD2 TYR A 71 8.103 0.817 -2.625 1.00 1.00 H new ATOM 0 HE1 TYR A 71 12.184 1.246 0.163 1.00 1.00 H new ATOM 0 HE2 TYR A 71 9.999 2.212 -3.407 1.00 1.00 H new ATOM 0 HH TYR A 71 12.035 2.979 -2.973 1.00 1.00 H new ATOM 658 N ILE A 72 6.248 -2.580 1.289 1.00 1.00 N ATOM 659 CA ILE A 72 5.370 -2.927 2.393 1.00 1.00 C ATOM 660 C ILE A 72 6.118 -3.841 3.366 1.00 1.00 C ATOM 661 O ILE A 72 5.935 -3.744 4.579 1.00 1.00 O ATOM 662 CB ILE A 72 4.062 -3.523 1.871 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.332 -4.696 0.926 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.192 -2.449 1.216 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.255 -5.773 1.066 1.00 1.00 C ATOM 0 H ILE A 72 5.799 -2.573 0.373 1.00 1.00 H new ATOM 0 HA ILE A 72 5.086 -2.034 2.949 1.00 1.00 H new ATOM 0 HB ILE A 72 3.504 -3.916 2.721 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.362 -4.339 -0.103 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.310 -5.125 1.143 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.268 -2.900 0.854 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.956 -1.676 1.947 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.731 -2.004 0.379 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.471 -6.595 0.383 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.244 -6.146 2.090 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.281 -5.347 0.824 1.00 1.00 H new ATOM 677 N ARG A 73 6.944 -4.707 2.798 1.00 1.00 N ATOM 678 CA ARG A 73 7.720 -5.638 3.600 1.00 1.00 C ATOM 679 C ARG A 73 8.500 -4.885 4.680 1.00 1.00 C ATOM 680 O ARG A 73 8.231 -5.044 5.869 1.00 1.00 O ATOM 681 CB ARG A 73 8.699 -6.430 2.731 1.00 1.00 C ATOM 682 CG ARG A 73 9.384 -7.532 3.542 1.00 1.00 C ATOM 683 CD ARG A 73 8.985 -8.918 3.031 1.00 1.00 C ATOM 684 NE ARG A 73 10.187 -9.766 2.877 1.00 1.00 N ATOM 685 CZ ARG A 73 10.151 -11.094 2.635 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.288 -11.754 2.516 1.00 1.00 N ATOM 687 NH2 ARG A 73 8.970 -11.736 2.516 1.00 1.00 N ATOM 0 H ARG A 73 7.093 -4.784 1.792 1.00 1.00 H new ATOM 0 HA ARG A 73 7.024 -6.334 4.068 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.168 -6.871 1.888 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.450 -5.757 2.318 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.466 -7.415 3.480 1.00 1.00 H new ATOM 0 HG3 ARG A 73 9.113 -7.436 4.593 1.00 1.00 H new ATOM 0 HD2 ARG A 73 8.288 -9.384 3.727 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.469 -8.828 2.075 1.00 1.00 H new ATOM 0 HE ARG A 73 11.101 -9.320 2.959 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.176 -11.261 2.607 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.278 -12.757 2.333 1.00 1.00 H new ATOM 0 HH21 ARG A 73 8.096 -11.218 2.609 1.00 1.00 H new ATOM 0 HH22 ARG A 73 8.951 -12.739 2.333 1.00 1.00 H new ATOM 697 N ASN A 74 9.451 -4.082 4.226 1.00 1.00 N ATOM 698 CA ASN A 74 10.272 -3.305 5.139 1.00 1.00 C ATOM 699 C ASN A 74 10.186 -1.825 4.761 1.00 1.00 C ATOM 700 O ASN A 74 11.074 -1.260 4.126 1.00 1.00 O ATOM 701 CB ASN A 74 11.740 -3.729 5.056 1.00 1.00 C ATOM 702 CG ASN A 74 12.478 -3.407 6.357 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.379 -2.585 6.402 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.047 -4.097 7.408 1.00 1.00 N ATOM 0 H ASN A 74 9.671 -3.953 3.238 1.00 1.00 H new ATOM 0 HA ASN A 74 9.904 -3.474 6.151 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.803 -4.798 4.853 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.223 -3.218 4.223 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.475 -3.954 8.323 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.288 -4.770 7.300 1.00 1.00 H new ATOM 711 N PRO A 75 9.079 -1.202 5.172 1.00 1.00 N ATOM 712 CA PRO A 75 8.791 0.195 4.927 1.00 1.00 C ATOM 713 C PRO A 75 9.444 1.048 6.006 1.00 1.00 C ATOM 714 O PRO A 75 10.028 0.488 6.932 1.00 1.00 O ATOM 715 CB PRO A 75 7.268 0.299 4.995 1.00 1.00 C ATOM 716 CG PRO A 75 6.869 -0.826 5.908 1.00 1.00 C ATOM 717 CD PRO A 75 8.015 -1.835 5.920 1.00 1.00 C ATOM 0 HA PRO A 75 9.174 0.545 3.969 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.951 1.265 5.389 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.816 0.193 4.009 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.676 -0.453 6.914 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.949 -1.295 5.559 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.330 -2.063 6.938 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.716 -2.777 5.461 1.00 1.00 H new ATOM 725 N GLY A 76 9.338 2.361 5.870 1.00 1.00 N ATOM 726 CA GLY A 76 9.928 3.264 6.843 1.00 1.00 C ATOM 727 C GLY A 76 8.960 3.533 7.998 1.00 1.00 C ATOM 728 O GLY A 76 7.924 2.889 8.145 1.00 1.00 O ATOM 0 H GLY A 76 8.852 2.822 5.100 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.852 2.834 7.230 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.192 4.204 6.359 1.00 1.00 H new ATOM 732 N PRO A 77 9.329 4.514 8.826 1.00 1.00 N ATOM 733 CA PRO A 77 8.565 4.936 9.980 1.00 1.00 C ATOM 734 C PRO A 77 7.203 5.445 9.533 1.00 1.00 C ATOM 735 O PRO A 77 7.077 5.879 8.389 1.00 1.00 O ATOM 736 CB PRO A 77 9.391 6.058 10.606 1.00 1.00 C ATOM 737 CG PRO A 77 10.313 6.536 9.538 1.00 1.00 C ATOM 738 CD PRO A 77 10.540 5.291 8.683 1.00 1.00 C ATOM 0 HA PRO A 77 8.385 4.128 10.689 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.749 6.866 10.957 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.949 5.696 11.470 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.871 7.346 8.958 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.247 6.914 9.953 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.719 5.555 7.641 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.411 4.731 9.024 1.00 1.00 H new ATOM 746 N GLY A 78 6.224 5.384 10.424 1.00 1.00 N ATOM 747 CA GLY A 78 4.885 5.842 10.097 1.00 1.00 C ATOM 748 C GLY A 78 4.003 4.679 9.638 1.00 1.00 C ATOM 749 O GLY A 78 2.804 4.659 9.910 1.00 1.00 O ATOM 0 H GLY A 78 6.332 5.024 11.372 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.438 6.320 10.968 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.937 6.596 9.311 1.00 1.00 H new ATOM 753 N MET A 79 4.632 3.739 8.948 1.00 1.00 N ATOM 754 CA MET A 79 3.921 2.575 8.448 1.00 1.00 C ATOM 755 C MET A 79 4.529 1.282 8.997 1.00 1.00 C ATOM 756 O MET A 79 5.734 1.052 8.938 1.00 1.00 O ATOM 757 CB MET A 79 3.979 2.558 6.920 1.00 1.00 C ATOM 758 CG MET A 79 2.777 1.815 6.333 1.00 1.00 C ATOM 759 SD MET A 79 2.559 2.263 4.619 1.00 1.00 S ATOM 760 CE MET A 79 3.109 0.758 3.833 1.00 1.00 C ATOM 0 H MET A 79 5.627 3.760 8.723 1.00 1.00 H new ATOM 0 HA MET A 79 2.885 2.636 8.780 1.00 1.00 H new ATOM 0 HB2 MET A 79 3.999 3.580 6.542 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.902 2.079 6.593 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.927 0.739 6.420 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.877 2.058 6.898 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.038 0.866 2.751 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.144 0.560 4.111 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.481 -0.072 4.157 1.00 1.00 H new ATOM 770 N PRO A 80 3.654 0.433 9.540 1.00 1.00 N ATOM 771 CA PRO A 80 4.008 -0.846 10.116 1.00 1.00 C ATOM 772 C PRO A 80 4.806 -1.658 9.106 1.00 1.00 C ATOM 773 O PRO A 80 5.563 -1.069 8.336 1.00 1.00 O ATOM 774 CB PRO A 80 2.673 -1.519 10.427 1.00 1.00 C ATOM 775 CG PRO A 80 1.698 -0.435 10.534 1.00 1.00 C ATOM 776 CD PRO A 80 2.229 0.672 9.626 1.00 1.00 C ATOM 0 HA PRO A 80 4.626 -0.752 11.009 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.395 -2.219 9.639 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.729 -2.088 11.355 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.708 -0.763 10.217 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.605 -0.089 11.563 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.762 0.633 8.642 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.018 1.658 10.040 1.00 1.00 H new ATOM 784 N ALA A 81 4.628 -2.971 9.125 1.00 1.00 N ATOM 785 CA ALA A 81 5.343 -3.837 8.203 1.00 1.00 C ATOM 786 C ALA A 81 4.524 -5.107 7.965 1.00 1.00 C ATOM 787 O ALA A 81 3.620 -5.421 8.737 1.00 1.00 O ATOM 788 CB ALA A 81 6.736 -4.137 8.760 1.00 1.00 C ATOM 0 H ALA A 81 3.999 -3.456 9.765 1.00 1.00 H new ATOM 0 HA ALA A 81 5.477 -3.345 7.239 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.272 -4.787 8.068 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.287 -3.205 8.883 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.642 -4.634 9.726 1.00 1.00 H new ATOM 794 N PHE A 82 4.870 -5.804 6.892 1.00 1.00 N ATOM 795 CA PHE A 82 4.179 -7.033 6.543 1.00 1.00 C ATOM 796 C PHE A 82 5.151 -8.064 5.967 1.00 1.00 C ATOM 797 O PHE A 82 5.612 -7.924 4.835 1.00 1.00 O ATOM 798 CB PHE A 82 3.143 -6.675 5.475 1.00 1.00 C ATOM 799 CG PHE A 82 2.107 -5.646 5.933 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.263 -4.334 5.610 1.00 1.00 C ATOM 801 CD2 PHE A 82 1.031 -6.043 6.664 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.302 -3.379 6.035 1.00 1.00 C ATOM 803 CE2 PHE A 82 0.070 -5.088 7.089 1.00 1.00 C ATOM 804 CZ PHE A 82 0.226 -3.776 6.766 1.00 1.00 C ATOM 0 H PHE A 82 5.620 -5.540 6.253 1.00 1.00 H new ATOM 0 HA PHE A 82 3.717 -7.465 7.431 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.660 -6.288 4.597 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.626 -7.583 5.166 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.118 -4.019 5.030 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.908 -7.085 6.921 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.425 -2.337 5.778 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.785 -5.403 7.669 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.505 -3.050 7.090 1.00 1.00 H new ATOM 814 N GLY A 83 5.434 -9.078 6.773 1.00 1.00 N ATOM 815 CA GLY A 83 6.344 -10.132 6.357 1.00 1.00 C ATOM 816 C GLY A 83 5.573 -11.346 5.834 1.00 1.00 C ATOM 817 O GLY A 83 4.364 -11.273 5.621 1.00 1.00 O ATOM 0 H GLY A 83 5.049 -9.192 7.711 1.00 1.00 H new ATOM 0 HA2 GLY A 83 7.010 -9.757 5.580 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.971 -10.429 7.198 1.00 1.00 H new ATOM 821 N GLU A 84 6.305 -12.434 5.643 1.00 1.00 N ATOM 822 CA GLU A 84 5.705 -13.662 5.149 1.00 1.00 C ATOM 823 C GLU A 84 5.053 -14.434 6.298 1.00 1.00 C ATOM 824 O GLU A 84 4.615 -15.569 6.118 1.00 1.00 O ATOM 825 CB GLU A 84 6.741 -14.526 4.427 1.00 1.00 C ATOM 826 CG GLU A 84 7.798 -15.045 5.403 1.00 1.00 C ATOM 827 CD GLU A 84 7.642 -16.550 5.631 1.00 1.00 C ATOM 828 OE1 GLU A 84 7.135 -17.261 4.751 1.00 1.00 O ATOM 829 OE2 GLU A 84 8.070 -16.976 6.771 1.00 1.00 O ATOM 0 H GLU A 84 7.308 -12.491 5.821 1.00 1.00 H new ATOM 0 HA GLU A 84 4.931 -13.401 4.427 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.244 -15.367 3.942 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.221 -13.943 3.641 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.794 -14.834 5.012 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.710 -14.519 6.353 1.00 1.00 H new ATOM 837 N ALA A 85 5.008 -13.786 7.453 1.00 1.00 N ATOM 838 CA ALA A 85 4.417 -14.398 8.631 1.00 1.00 C ATOM 839 C ALA A 85 2.900 -14.488 8.446 1.00 1.00 C ATOM 840 O ALA A 85 2.285 -15.488 8.812 1.00 1.00 O ATOM 841 CB ALA A 85 4.806 -13.594 9.873 1.00 1.00 C ATOM 0 H ALA A 85 5.371 -12.844 7.598 1.00 1.00 H new ATOM 0 HA ALA A 85 4.794 -15.412 8.768 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.363 -14.053 10.757 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.891 -13.584 9.975 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.441 -12.572 9.773 1.00 1.00 H new ATOM 847 N MET A 86 2.341 -13.429 7.879 1.00 1.00 N ATOM 848 CA MET A 86 0.909 -13.376 7.642 1.00 1.00 C ATOM 849 C MET A 86 0.603 -13.331 6.143 1.00 1.00 C ATOM 850 O MET A 86 -0.171 -14.144 5.640 1.00 1.00 O ATOM 851 CB MET A 86 0.324 -12.135 8.320 1.00 1.00 C ATOM 852 CG MET A 86 -1.191 -12.265 8.488 1.00 1.00 C ATOM 853 SD MET A 86 -1.781 -11.057 9.662 1.00 1.00 S ATOM 854 CE MET A 86 -0.901 -11.588 11.121 1.00 1.00 C ATOM 0 H MET A 86 2.854 -12.601 7.577 1.00 1.00 H new ATOM 0 HA MET A 86 0.457 -14.276 8.060 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.791 -11.995 9.295 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.553 -11.250 7.727 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.685 -12.122 7.527 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.442 -13.269 8.829 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.556 -11.513 11.989 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.581 -12.622 10.996 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.027 -10.953 11.270 1.00 1.00 H new ATOM 864 N ILE A 87 1.225 -12.373 5.473 1.00 1.00 N ATOM 865 CA ILE A 87 1.029 -12.212 4.042 1.00 1.00 C ATOM 866 C ILE A 87 2.357 -12.446 3.320 1.00 1.00 C ATOM 867 O ILE A 87 3.335 -11.723 3.501 1.00 1.00 O ATOM 868 CB ILE A 87 0.395 -10.852 3.739 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.857 -10.629 4.589 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.107 -10.704 2.243 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.800 -9.625 3.923 1.00 1.00 C ATOM 0 H ILE A 87 1.865 -11.700 5.894 1.00 1.00 H new ATOM 0 HA ILE A 87 0.327 -12.957 3.667 1.00 1.00 H new ATOM 0 HB ILE A 87 1.109 -10.074 4.009 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.374 -11.577 4.736 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.571 -10.265 5.576 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.343 -9.729 2.054 1.00 1.00 H new ATOM 0 HG22 ILE A 87 1.038 -10.788 1.683 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.580 -11.489 1.925 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.682 -9.485 4.548 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.287 -8.671 3.799 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.103 -10.003 2.947 1.00 1.00 H new ATOM 883 N PRO A 88 2.370 -13.488 2.486 1.00 1.00 N ATOM 884 CA PRO A 88 3.517 -13.891 1.701 1.00 1.00 C ATOM 885 C PRO A 88 3.731 -12.900 0.566 1.00 1.00 C ATOM 886 O PRO A 88 2.772 -12.435 -0.045 1.00 1.00 O ATOM 887 CB PRO A 88 3.155 -15.273 1.160 1.00 1.00 C ATOM 888 CG PRO A 88 1.686 -15.290 1.126 1.00 1.00 C ATOM 889 CD PRO A 88 1.239 -14.359 2.250 1.00 1.00 C ATOM 0 HA PRO A 88 4.440 -13.917 2.280 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.575 -15.432 0.167 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.545 -16.063 1.801 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.312 -14.947 0.161 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.302 -16.299 1.277 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.355 -13.789 1.963 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.979 -14.920 3.147 1.00 1.00 H new ATOM 897 N PRO A 89 4.996 -12.577 0.285 1.00 1.00 N ATOM 898 CA PRO A 89 5.390 -11.654 -0.758 1.00 1.00 C ATOM 899 C PRO A 89 4.542 -11.894 -1.999 1.00 1.00 C ATOM 900 O PRO A 89 4.062 -10.926 -2.587 1.00 1.00 O ATOM 901 CB PRO A 89 6.859 -11.973 -1.029 1.00 1.00 C ATOM 902 CG PRO A 89 7.354 -12.520 0.250 1.00 1.00 C ATOM 903 CD PRO A 89 6.148 -13.105 0.982 1.00 1.00 C ATOM 0 HA PRO A 89 5.252 -10.610 -0.475 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.967 -12.695 -1.839 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.413 -11.081 -1.321 1.00 1.00 H new ATOM 0 HG2 PRO A 89 8.108 -13.287 0.075 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.826 -11.739 0.847 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.160 -14.195 0.955 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.143 -12.812 2.032 1.00 1.00 H new ATOM 911 N ALA A 90 4.376 -13.155 -2.370 1.00 1.00 N ATOM 912 CA ALA A 90 3.586 -13.492 -3.542 1.00 1.00 C ATOM 913 C ALA A 90 2.175 -12.922 -3.382 1.00 1.00 C ATOM 914 O ALA A 90 1.609 -12.381 -4.330 1.00 1.00 O ATOM 915 CB ALA A 90 3.582 -15.010 -3.736 1.00 1.00 C ATOM 0 H ALA A 90 4.775 -13.956 -1.880 1.00 1.00 H new ATOM 0 HA ALA A 90 4.021 -13.049 -4.438 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.989 -15.263 -4.615 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.604 -15.362 -3.874 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.149 -15.488 -2.857 1.00 1.00 H new ATOM 921 N ASP A 91 1.648 -13.062 -2.174 1.00 1.00 N ATOM 922 CA ASP A 91 0.315 -12.567 -1.878 1.00 1.00 C ATOM 923 C ASP A 91 0.334 -11.037 -1.866 1.00 1.00 C ATOM 924 O ASP A 91 -0.718 -10.400 -1.839 1.00 1.00 O ATOM 925 CB ASP A 91 -0.157 -13.045 -0.502 1.00 1.00 C ATOM 926 CG ASP A 91 -0.722 -14.466 -0.470 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.478 -14.832 0.442 1.00 1.00 O ATOM 928 OD2 ASP A 91 -0.352 -15.222 -1.448 1.00 1.00 O ATOM 0 H ASP A 91 2.120 -13.511 -1.389 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.363 -12.945 -2.644 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.681 -12.988 0.193 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -0.921 -12.358 -0.138 1.00 1.00 H new ATOM 934 N ALA A 92 1.541 -10.492 -1.887 1.00 1.00 N ATOM 935 CA ALA A 92 1.711 -9.049 -1.879 1.00 1.00 C ATOM 936 C ALA A 92 1.515 -8.509 -3.297 1.00 1.00 C ATOM 937 O ALA A 92 0.938 -7.439 -3.484 1.00 1.00 O ATOM 938 CB ALA A 92 3.086 -8.700 -1.307 1.00 1.00 C ATOM 0 H ALA A 92 2.411 -11.024 -1.910 1.00 1.00 H new ATOM 0 HA ALA A 92 0.964 -8.578 -1.241 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.214 -7.618 -1.301 1.00 1.00 H new ATOM 0 HB2 ALA A 92 3.163 -9.080 -0.288 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.862 -9.153 -1.923 1.00 1.00 H new ATOM 944 N LEU A 93 2.007 -9.274 -4.261 1.00 1.00 N ATOM 945 CA LEU A 93 1.893 -8.886 -5.656 1.00 1.00 C ATOM 946 C LEU A 93 0.415 -8.826 -6.045 1.00 1.00 C ATOM 947 O LEU A 93 0.068 -8.295 -7.099 1.00 1.00 O ATOM 948 CB LEU A 93 2.725 -9.818 -6.541 1.00 1.00 C ATOM 949 CG LEU A 93 4.235 -9.800 -6.300 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.913 -10.992 -6.979 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.845 -8.468 -6.739 1.00 1.00 C ATOM 0 H LEU A 93 2.486 -10.161 -4.103 1.00 1.00 H new ATOM 0 HA LEU A 93 2.304 -7.888 -5.809 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.367 -10.837 -6.399 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.540 -9.558 -7.583 1.00 1.00 H new ATOM 0 HG LEU A 93 4.410 -9.897 -5.229 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.986 -10.955 -6.792 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.506 -11.920 -6.577 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.730 -10.951 -8.053 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.920 -8.482 -6.557 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.659 -8.316 -7.802 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.391 -7.655 -6.171 1.00 1.00 H new ATOM 963 N LYS A 94 -0.417 -9.377 -5.174 1.00 1.00 N ATOM 964 CA LYS A 94 -1.850 -9.393 -5.413 1.00 1.00 C ATOM 965 C LYS A 94 -2.469 -8.110 -4.855 1.00 1.00 C ATOM 966 O LYS A 94 -3.447 -7.600 -5.400 1.00 1.00 O ATOM 967 CB LYS A 94 -2.473 -10.672 -4.852 1.00 1.00 C ATOM 968 CG LYS A 94 -4.000 -10.578 -4.838 1.00 1.00 C ATOM 969 CD LYS A 94 -4.556 -10.876 -3.444 1.00 1.00 C ATOM 970 CE LYS A 94 -4.580 -12.382 -3.175 1.00 1.00 C ATOM 971 NZ LYS A 94 -3.208 -12.890 -2.949 1.00 1.00 N ATOM 0 H LYS A 94 -0.126 -9.816 -4.301 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.058 -9.409 -6.483 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -2.163 -11.526 -5.454 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.107 -10.846 -3.840 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.309 -9.581 -5.151 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.418 -11.282 -5.558 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -3.946 -10.378 -2.691 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.564 -10.471 -3.356 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -5.200 -12.592 -2.303 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.032 -12.901 -4.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -3.252 -13.783 -2.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -2.743 -13.055 -3.865 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -2.664 -12.190 -2.406 1.00 1.00 H new ATOM 984 N ILE A 95 -1.875 -7.625 -3.774 1.00 1.00 N ATOM 985 CA ILE A 95 -2.356 -6.412 -3.136 1.00 1.00 C ATOM 986 C ILE A 95 -2.077 -5.216 -4.048 1.00 1.00 C ATOM 987 O ILE A 95 -2.961 -4.395 -4.290 1.00 1.00 O ATOM 988 CB ILE A 95 -1.758 -6.270 -1.735 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.949 -7.554 -0.925 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.332 -5.047 -1.015 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.407 -7.715 -0.488 1.00 1.00 C ATOM 0 H ILE A 95 -1.065 -8.051 -3.324 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.436 -6.459 -2.993 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.685 -6.110 -1.836 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.648 -8.414 -1.523 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.303 -7.534 -0.048 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.890 -4.969 -0.021 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.102 -4.147 -1.586 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.413 -5.152 -0.924 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.515 -8.635 0.086 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.697 -6.866 0.130 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.048 -7.759 -1.368 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.844 -5.154 -4.529 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.437 -4.072 -5.409 1.00 1.00 C ATOM 1005 C GLY A 96 -1.498 -3.807 -6.479 1.00 1.00 C ATOM 1006 O GLY A 96 -1.614 -2.690 -6.981 1.00 1.00 O ATOM 0 H GLY A 96 -0.113 -5.836 -4.326 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.270 -3.167 -4.825 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.511 -4.323 -5.886 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.247 -4.853 -6.797 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.295 -4.747 -7.798 1.00 1.00 C ATOM 1012 C GLU A 97 -4.397 -3.802 -7.315 1.00 1.00 C ATOM 1013 O GLU A 97 -4.824 -2.886 -8.013 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.865 -6.124 -8.142 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.748 -7.159 -8.292 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.249 -8.404 -9.026 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.807 -9.314 -8.394 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.042 -8.407 -10.300 1.00 1.00 O ATOM 0 H GLU A 97 -2.149 -5.778 -6.379 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.861 -4.332 -8.708 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.556 -6.441 -7.361 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.436 -6.064 -9.068 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.913 -6.721 -8.839 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.372 -7.439 -7.308 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.853 -4.050 -6.085 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.898 -3.246 -5.482 1.00 1.00 C ATOM 1028 C TYR A 98 -5.575 -1.768 -5.652 1.00 1.00 C ATOM 1029 O TYR A 98 -6.500 -0.959 -5.698 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.026 -3.606 -4.005 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.227 -2.982 -3.335 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -7.050 -1.988 -2.365 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.517 -3.399 -3.683 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.163 -1.410 -1.744 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.631 -2.820 -3.062 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.454 -1.826 -2.093 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.539 -1.262 -1.488 1.00 1.00 O ATOM 0 H TYR A 98 -4.509 -4.805 -5.492 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.849 -3.448 -5.975 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.088 -4.690 -3.907 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.123 -3.290 -3.482 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.054 -1.667 -2.096 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.653 -4.167 -4.430 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -8.026 -0.643 -0.996 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.627 -3.141 -3.331 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.358 -1.663 -1.846 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.293 -1.448 -5.740 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.877 -0.065 -5.904 1.00 1.00 C ATOM 1049 C VAL A 99 -3.618 0.213 -7.386 1.00 1.00 C ATOM 1050 O VAL A 99 -2.727 0.988 -7.730 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.661 0.224 -5.021 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.082 1.608 -5.320 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.015 0.086 -3.539 1.00 1.00 C ATOM 0 H VAL A 99 -3.528 -2.122 -5.701 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.667 0.612 -5.579 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.895 -0.516 -5.253 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.219 1.788 -4.679 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.774 1.656 -6.365 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.840 2.368 -5.130 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.134 0.297 -2.933 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.806 0.792 -3.287 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.358 -0.929 -3.340 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.415 -0.434 -8.224 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.283 -0.266 -9.662 1.00 1.00 C ATOM 1065 C VAL A 100 -5.671 -0.310 -10.305 1.00 1.00 C ATOM 1066 O VAL A 100 -5.793 -0.512 -11.512 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.329 -1.319 -10.227 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.329 -1.295 -11.757 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.914 -1.129 -9.676 1.00 1.00 C ATOM 0 H VAL A 100 -5.154 -1.075 -7.935 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.847 0.705 -9.895 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.685 -2.299 -9.907 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.642 -2.053 -12.133 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.334 -1.502 -12.124 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -3.010 -0.313 -12.105 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.256 -1.891 -10.094 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.546 -0.141 -9.951 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.931 -1.220 -8.590 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.682 -0.118 -9.470 1.00 1.00 N ATOM 1080 CA ALA A 101 -8.056 -0.134 -9.942 1.00 1.00 C ATOM 1081 C ALA A 101 -8.786 1.102 -9.413 1.00 1.00 C ATOM 1082 O ALA A 101 -9.972 1.037 -9.092 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.729 -1.438 -9.510 1.00 1.00 C ATOM 0 H ALA A 101 -6.577 0.049 -8.469 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.089 -0.096 -11.031 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.760 -1.450 -9.864 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.189 -2.284 -9.935 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.718 -1.510 -8.422 1.00 1.00 H new ATOM 1089 N SER A 102 -8.048 2.200 -9.338 1.00 1.00 N ATOM 1090 CA SER A 102 -8.611 3.449 -8.853 1.00 1.00 C ATOM 1091 C SER A 102 -7.624 4.594 -9.090 1.00 1.00 C ATOM 1092 O SER A 102 -8.023 5.693 -9.472 1.00 1.00 O ATOM 1093 CB SER A 102 -8.966 3.353 -7.369 1.00 1.00 C ATOM 1094 OG SER A 102 -7.859 2.923 -6.581 1.00 1.00 O ATOM 0 H SER A 102 -7.065 2.251 -9.605 1.00 1.00 H new ATOM 0 HA SER A 102 -9.529 3.648 -9.406 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.307 4.326 -7.014 1.00 1.00 H new ATOM 0 HB3 SER A 102 -9.795 2.658 -7.239 1.00 1.00 H new ATOM 0 HG SER A 102 -7.403 3.704 -6.204 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.354 4.297 -8.853 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.308 5.288 -9.035 1.00 1.00 C ATOM 1102 C PHE A 103 -3.942 4.619 -9.203 1.00 1.00 C ATOM 1103 O PHE A 103 -3.105 4.610 -8.303 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.287 6.155 -7.774 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.768 5.431 -6.515 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.259 4.212 -6.194 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.706 6.008 -5.716 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.706 3.541 -5.025 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.153 5.337 -4.547 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.643 4.117 -4.226 1.00 1.00 C ATOM 0 H PHE A 103 -6.027 3.384 -8.537 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.506 5.878 -9.930 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.271 6.514 -7.609 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -5.913 7.032 -7.938 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.515 3.754 -6.828 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.111 6.976 -5.971 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.301 2.573 -4.771 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.898 5.795 -3.913 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.982 3.606 -3.337 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.734 4.051 -10.393 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.516 3.366 -10.768 1.00 1.00 C ATOM 1122 C PRO A 104 -1.316 4.242 -10.441 1.00 1.00 C ATOM 1123 O PRO A 104 -0.204 3.743 -10.286 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.639 3.146 -12.274 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.174 3.001 -12.459 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.696 4.044 -11.474 1.00 1.00 C ATOM 0 HA PRO A 104 -2.377 2.425 -10.236 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.238 3.985 -12.842 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.103 2.255 -12.601 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.486 3.210 -13.482 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.524 1.997 -12.218 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -4.772 5.026 -11.942 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.692 3.784 -11.115 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.412 2.749 4.236 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.716 5.599 2.792 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.270 1.316 0.979 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.974 -0.176 5.445 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.187 4.279 7.224 1.00 1.00 C HETATM 1140 NA HEC A 201 0.946 3.312 2.282 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.369 4.577 1.915 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.403 4.696 0.476 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.003 3.510 -0.030 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.717 2.646 1.091 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.866 3.120 -1.473 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.814 5.929 -0.274 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.298 6.266 -0.150 1.00 1.00 C HETATM 1148 CGA HEC A 201 3.505 7.534 0.666 1.00 1.00 C HETATM 1149 O1A HEC A 201 4.518 7.579 1.398 1.00 1.00 O HETATM 1150 O2A HEC A 201 2.647 8.434 0.544 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.225 0.945 3.367 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.191 0.547 2.042 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.706 -0.795 1.909 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.052 -1.212 3.145 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.754 -0.132 4.056 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.818 -1.548 0.615 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.637 -2.535 3.545 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.867 -3.740 3.013 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.188 2.153 6.008 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.776 0.954 6.369 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.245 1.015 7.733 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.943 2.245 8.201 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.285 2.957 7.131 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.934 -0.105 8.456 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.219 2.808 9.565 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.806 1.890 10.711 1.00 1.00 C HETATM 1167 ND HEC A 201 0.795 4.576 4.852 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.754 4.990 6.172 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.388 6.280 6.312 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.813 6.649 5.085 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.446 5.591 4.173 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.525 7.033 7.603 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.533 7.907 4.696 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.042 7.852 4.915 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.493 8.930 5.891 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.841 8.553 7.031 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.482 10.109 5.478 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.535 7.236 8.013 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.097 6.436 8.314 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.043 7.975 7.422 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.850 -0.370 7.928 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.275 -0.972 8.496 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.179 0.212 9.470 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.468 -1.002 -0.069 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.171 -1.654 0.169 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.239 -2.536 0.804 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.146 3.777 -1.961 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.833 3.211 -1.968 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.520 2.089 -1.540 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.322 6.870 5.298 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.556 7.981 3.962 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.349 0.948 10.636 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.265 1.697 10.654 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -1.038 2.369 11.662 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.853 -3.711 1.923 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.156 -3.714 3.390 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.352 -4.658 3.345 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.824 5.436 0.322 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.729 6.394 -1.143 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.336 8.116 3.644 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.123 8.739 5.268 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.568 5.799 -1.328 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.229 6.774 0.088 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.102 4.781 8.188 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.317 -1.119 5.870 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.286 0.857 -0.010 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.233 6.466 2.381 1.00 1.00 H new HETATM 0 H2D HEC A 201 4.173 10.703 6.193 1.00 1.00 H new HETATM 0 H2A HEC A 201 3.092 9.289 0.368 1.00 1.00 H new