USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 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= -0.0228 F(o=-1.6!,f=-0.023) USER MOD Set 2.1: A 47 HIS : no HD1:sc= -2.11! C(o=-2!,f=-11!) USER MOD Set 2.2: A 201 HEC O2D : rot 83:sc= 0.154 USER MOD Set 3.1: A 44 ASN : amide:sc= -1.46! C(o=-3.4!,f=-6.7!) USER MOD Set 3.2: A 201 HEC O2A : rot 159:sc= -1.91! USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.929 USER MOD Single : A 34 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=0.00061) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : A 51 THR OG1 : rot 160:sc= 0.102 USER MOD Single : A 64 THR OG1 : rot -130:sc= -1.97! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0249 F(o=-0.72,f=-0.025) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -146:sc= -0.358 (180deg=-1.55!) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.805 (180deg=-1.69) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 80:sc= -1.12! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -10.627 -7.838 -6.411 1.00 1.00 N ATOM 2 CA ALA A 25 -10.962 -9.251 -6.368 1.00 1.00 C ATOM 3 C ALA A 25 -9.987 -9.973 -5.436 1.00 1.00 C ATOM 4 O ALA A 25 -8.982 -10.520 -5.887 1.00 1.00 O ATOM 5 CB ALA A 25 -10.946 -9.824 -7.786 1.00 1.00 C ATOM 0 HA ALA A 25 -11.967 -9.395 -5.971 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -11.197 -10.884 -7.753 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -11.676 -9.297 -8.400 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -9.953 -9.700 -8.217 1.00 1.00 H new ATOM 11 N GLY A 26 -10.318 -9.951 -4.153 1.00 1.00 N ATOM 12 CA GLY A 26 -9.483 -10.597 -3.154 1.00 1.00 C ATOM 13 C GLY A 26 -8.477 -9.610 -2.559 1.00 1.00 C ATOM 14 O GLY A 26 -8.503 -9.339 -1.359 1.00 1.00 O ATOM 0 H GLY A 26 -11.152 -9.496 -3.782 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.109 -11.006 -2.361 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -8.952 -11.435 -3.605 1.00 1.00 H new ATOM 18 N GLY A 27 -7.614 -9.099 -3.425 1.00 1.00 N ATOM 19 CA GLY A 27 -6.601 -8.148 -3.000 1.00 1.00 C ATOM 20 C GLY A 27 -7.215 -7.040 -2.142 1.00 1.00 C ATOM 21 O GLY A 27 -6.582 -6.549 -1.209 1.00 1.00 O ATOM 0 H GLY A 27 -7.596 -9.326 -4.419 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -5.827 -8.665 -2.433 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.118 -7.711 -3.874 1.00 1.00 H new ATOM 25 N GLY A 28 -8.442 -6.679 -2.488 1.00 1.00 N ATOM 26 CA GLY A 28 -9.149 -5.638 -1.761 1.00 1.00 C ATOM 27 C GLY A 28 -9.562 -6.124 -0.371 1.00 1.00 C ATOM 28 O GLY A 28 -9.385 -5.413 0.617 1.00 1.00 O ATOM 0 H GLY A 28 -8.965 -7.089 -3.262 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.513 -4.758 -1.668 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.033 -5.334 -2.322 1.00 1.00 H new ATOM 32 N GLU A 29 -10.106 -7.332 -0.339 1.00 1.00 N ATOM 33 CA GLU A 29 -10.546 -7.921 0.914 1.00 1.00 C ATOM 34 C GLU A 29 -9.400 -7.933 1.927 1.00 1.00 C ATOM 35 O GLU A 29 -9.634 -7.942 3.135 1.00 1.00 O ATOM 36 CB GLU A 29 -11.097 -9.331 0.693 1.00 1.00 C ATOM 37 CG GLU A 29 -11.757 -9.868 1.965 1.00 1.00 C ATOM 38 CD GLU A 29 -11.398 -11.338 2.190 1.00 1.00 C ATOM 39 OE1 GLU A 29 -11.110 -12.061 1.225 1.00 1.00 O ATOM 40 OE2 GLU A 29 -11.423 -11.723 3.421 1.00 1.00 O ATOM 0 H GLU A 29 -10.252 -7.919 -1.161 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.354 -7.309 1.316 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.823 -9.318 -0.120 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.290 -9.997 0.389 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.437 -9.276 2.823 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -12.839 -9.762 1.890 1.00 1.00 H new ATOM 48 N LEU A 30 -8.185 -7.933 1.398 1.00 1.00 N ATOM 49 CA LEU A 30 -7.002 -7.944 2.240 1.00 1.00 C ATOM 50 C LEU A 30 -6.674 -6.512 2.670 1.00 1.00 C ATOM 51 O LEU A 30 -6.388 -6.261 3.839 1.00 1.00 O ATOM 52 CB LEU A 30 -5.846 -8.653 1.532 1.00 1.00 C ATOM 53 CG LEU A 30 -6.170 -10.019 0.923 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.935 -10.629 0.257 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.777 -10.956 1.970 1.00 1.00 C ATOM 0 H LEU A 30 -7.995 -7.926 0.396 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.187 -8.516 3.149 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.477 -8.002 0.739 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -5.032 -8.779 2.245 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.919 -9.877 0.144 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.193 -11.599 -0.168 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.585 -9.967 -0.535 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.147 -10.755 0.999 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.998 -11.920 1.511 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.069 -11.097 2.787 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.697 -10.520 2.359 1.00 1.00 H new ATOM 67 N PHE A 31 -6.725 -5.611 1.700 1.00 1.00 N ATOM 68 CA PHE A 31 -6.437 -4.212 1.963 1.00 1.00 C ATOM 69 C PHE A 31 -7.516 -3.587 2.850 1.00 1.00 C ATOM 70 O PHE A 31 -7.287 -2.555 3.478 1.00 1.00 O ATOM 71 CB PHE A 31 -6.428 -3.495 0.611 1.00 1.00 C ATOM 72 CG PHE A 31 -6.456 -1.969 0.715 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.318 -1.252 0.513 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.619 -1.329 1.009 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.344 0.164 0.610 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.645 0.088 1.106 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.507 0.804 0.905 1.00 1.00 C ATOM 0 H PHE A 31 -6.962 -5.823 0.731 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.481 -4.120 2.479 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.538 -3.795 0.058 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.290 -3.825 0.031 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.394 -1.760 0.279 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.523 -1.898 1.169 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.440 0.733 0.450 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.569 0.596 1.339 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.527 1.881 0.980 1.00 1.00 H new ATOM 87 N ALA A 32 -8.669 -4.239 2.873 1.00 1.00 N ATOM 88 CA ALA A 32 -9.784 -3.761 3.672 1.00 1.00 C ATOM 89 C ALA A 32 -9.766 -4.459 5.034 1.00 1.00 C ATOM 90 O ALA A 32 -10.807 -4.887 5.529 1.00 1.00 O ATOM 91 CB ALA A 32 -11.093 -3.993 2.915 1.00 1.00 C ATOM 0 H ALA A 32 -8.855 -5.095 2.351 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.697 -2.689 3.849 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.929 -3.634 3.515 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -11.067 -3.452 1.969 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.217 -5.058 2.721 1.00 1.00 H new ATOM 97 N THR A 33 -8.571 -4.551 5.600 1.00 1.00 N ATOM 98 CA THR A 33 -8.404 -5.190 6.894 1.00 1.00 C ATOM 99 C THR A 33 -6.968 -5.016 7.393 1.00 1.00 C ATOM 100 O THR A 33 -6.742 -4.813 8.585 1.00 1.00 O ATOM 101 CB THR A 33 -8.827 -6.654 6.757 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.225 -6.639 7.032 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.240 -7.538 7.859 1.00 1.00 C ATOM 0 H THR A 33 -7.710 -4.194 5.186 1.00 1.00 H new ATOM 0 HA THR A 33 -9.036 -4.724 7.650 1.00 1.00 H new ATOM 0 HB THR A 33 -8.515 -7.032 5.783 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.702 -6.232 6.279 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.571 -8.567 7.715 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.152 -7.498 7.817 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.579 -7.180 8.831 1.00 1.00 H new ATOM 111 N HIS A 34 -6.036 -5.103 6.456 1.00 1.00 N ATOM 112 CA HIS A 34 -4.628 -4.958 6.785 1.00 1.00 C ATOM 113 C HIS A 34 -4.132 -3.586 6.325 1.00 1.00 C ATOM 114 O HIS A 34 -2.942 -3.289 6.418 1.00 1.00 O ATOM 115 CB HIS A 34 -3.811 -6.111 6.199 1.00 1.00 C ATOM 116 CG HIS A 34 -4.330 -7.481 6.567 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.037 -8.095 7.772 1.00 1.00 N ATOM 118 CD2 HIS A 34 -5.126 -8.348 5.876 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.634 -9.277 7.795 1.00 1.00 C ATOM 120 NE2 HIS A 34 -5.308 -9.433 6.619 1.00 1.00 N ATOM 0 H HIS A 34 -6.228 -5.272 5.469 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.497 -5.010 7.866 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.798 -6.018 5.113 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.779 -6.021 6.539 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.538 -8.180 4.892 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -4.594 -9.992 8.603 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.860 -10.249 6.354 1.00 1.00 H new ATOM 128 N CYS A 35 -5.069 -2.786 5.839 1.00 1.00 N ATOM 129 CA CYS A 35 -4.742 -1.452 5.365 1.00 1.00 C ATOM 130 C CYS A 35 -5.902 -0.519 5.718 1.00 1.00 C ATOM 131 O CYS A 35 -5.688 0.566 6.256 1.00 1.00 O ATOM 132 CB CYS A 35 -4.440 -1.444 3.865 1.00 1.00 C ATOM 133 SG CYS A 35 -3.444 -2.862 3.275 1.00 1.00 S ATOM 0 H CYS A 35 -6.055 -3.036 5.763 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.833 -1.102 5.855 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.383 -1.428 3.319 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.914 -0.521 3.619 1.00 1.00 H new ATOM 138 N ALA A 36 -7.105 -0.975 5.400 1.00 1.00 N ATOM 139 CA ALA A 36 -8.298 -0.194 5.677 1.00 1.00 C ATOM 140 C ALA A 36 -8.145 0.500 7.032 1.00 1.00 C ATOM 141 O ALA A 36 -8.663 1.598 7.233 1.00 1.00 O ATOM 142 CB ALA A 36 -9.527 -1.104 5.624 1.00 1.00 C ATOM 0 H ALA A 36 -7.279 -1.875 4.953 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.433 0.581 4.923 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.423 -0.518 5.832 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.607 -1.550 4.633 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.428 -1.893 6.370 1.00 1.00 H new ATOM 148 N GLY A 37 -7.432 -0.168 7.926 1.00 1.00 N ATOM 149 CA GLY A 37 -7.204 0.370 9.256 1.00 1.00 C ATOM 150 C GLY A 37 -6.034 1.356 9.256 1.00 1.00 C ATOM 151 O GLY A 37 -5.170 1.301 10.130 1.00 1.00 O ATOM 0 H GLY A 37 -7.004 -1.078 7.755 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.106 0.870 9.609 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.998 -0.444 9.951 1.00 1.00 H new ATOM 155 N CYS A 38 -6.043 2.236 8.265 1.00 1.00 N ATOM 156 CA CYS A 38 -4.994 3.232 8.139 1.00 1.00 C ATOM 157 C CYS A 38 -5.143 3.918 6.779 1.00 1.00 C ATOM 158 O CYS A 38 -4.828 5.099 6.638 1.00 1.00 O ATOM 159 CB CYS A 38 -3.604 2.616 8.317 1.00 1.00 C ATOM 160 SG CYS A 38 -2.895 3.127 9.925 1.00 1.00 S ATOM 0 H CYS A 38 -6.761 2.279 7.542 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.096 3.973 8.932 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.670 1.529 8.268 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -2.950 2.933 7.505 1.00 1.00 H new ATOM 165 N HIS A 39 -5.624 3.149 5.814 1.00 1.00 N ATOM 166 CA HIS A 39 -5.820 3.668 4.471 1.00 1.00 C ATOM 167 C HIS A 39 -7.307 3.625 4.115 1.00 1.00 C ATOM 168 O HIS A 39 -7.733 2.964 3.171 1.00 1.00 O ATOM 169 CB HIS A 39 -4.947 2.915 3.465 1.00 1.00 C ATOM 170 CG HIS A 39 -3.478 3.254 3.550 1.00 1.00 C ATOM 171 ND1 HIS A 39 -2.988 4.526 3.308 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.400 2.477 3.855 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.672 4.502 3.461 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.309 3.231 3.800 1.00 1.00 N ATOM 0 H HIS A 39 -5.884 2.170 5.935 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.503 4.710 4.431 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.072 1.844 3.622 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.302 3.133 2.458 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.545 5.342 3.055 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.429 1.426 4.100 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.004 5.341 3.339 1.00 1.00 H new ATOM 182 N PRO A 40 -8.098 4.356 4.905 1.00 1.00 N ATOM 183 CA PRO A 40 -9.533 4.461 4.750 1.00 1.00 C ATOM 184 C PRO A 40 -9.853 5.333 3.544 1.00 1.00 C ATOM 185 O PRO A 40 -9.294 6.423 3.434 1.00 1.00 O ATOM 186 CB PRO A 40 -10.019 5.114 6.042 1.00 1.00 C ATOM 187 CG PRO A 40 -8.789 6.081 6.357 1.00 1.00 C ATOM 188 CD PRO A 40 -7.630 5.145 6.023 1.00 1.00 C ATOM 0 HA PRO A 40 -10.014 3.497 4.583 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -10.952 5.661 5.905 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.189 4.387 6.836 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.793 6.978 5.737 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.773 6.411 7.396 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.732 5.706 5.762 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.375 4.513 6.874 1.00 1.00 H new ATOM 196 N GLN A 41 -10.730 4.848 2.677 1.00 1.00 N ATOM 197 CA GLN A 41 -11.104 5.599 1.491 1.00 1.00 C ATOM 198 C GLN A 41 -9.862 6.199 0.829 1.00 1.00 C ATOM 199 O GLN A 41 -9.774 7.413 0.649 1.00 1.00 O ATOM 200 CB GLN A 41 -12.124 6.688 1.832 1.00 1.00 C ATOM 201 CG GLN A 41 -13.539 6.254 1.445 1.00 1.00 C ATOM 202 CD GLN A 41 -14.528 7.411 1.600 1.00 1.00 C ATOM 203 OE1 GLN A 41 -15.019 7.702 2.678 1.00 1.00 O ATOM 204 NE2 GLN A 41 -14.793 8.052 0.465 1.00 1.00 N ATOM 0 H GLN A 41 -11.192 3.944 2.773 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.574 4.915 0.784 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.086 6.906 2.899 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.866 7.609 1.309 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.546 5.901 0.414 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.851 5.418 2.071 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -14.347 7.757 -0.404 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -15.442 8.839 0.463 1.00 1.00 H new ATOM 213 N GLY A 42 -8.932 5.320 0.484 1.00 1.00 N ATOM 214 CA GLY A 42 -7.699 5.748 -0.155 1.00 1.00 C ATOM 215 C GLY A 42 -7.102 6.960 0.562 1.00 1.00 C ATOM 216 O GLY A 42 -6.353 7.732 -0.034 1.00 1.00 O ATOM 0 H GLY A 42 -9.008 4.314 0.635 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.980 4.929 -0.152 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.893 5.997 -1.198 1.00 1.00 H new ATOM 220 N GLY A 43 -7.455 7.089 1.833 1.00 1.00 N ATOM 221 CA GLY A 43 -6.964 8.194 2.638 1.00 1.00 C ATOM 222 C GLY A 43 -5.912 7.716 3.641 1.00 1.00 C ATOM 223 O GLY A 43 -5.288 6.675 3.442 1.00 1.00 O ATOM 0 H GLY A 43 -8.075 6.446 2.325 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.534 8.958 1.990 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.794 8.658 3.170 1.00 1.00 H new ATOM 227 N ASN A 44 -5.748 8.500 4.696 1.00 1.00 N ATOM 228 CA ASN A 44 -4.782 8.170 5.731 1.00 1.00 C ATOM 229 C ASN A 44 -5.193 8.847 7.040 1.00 1.00 C ATOM 230 O ASN A 44 -5.657 9.986 7.035 1.00 1.00 O ATOM 231 CB ASN A 44 -3.384 8.669 5.359 1.00 1.00 C ATOM 232 CG ASN A 44 -2.429 7.497 5.123 1.00 1.00 C ATOM 233 OD1 ASN A 44 -2.683 6.368 5.510 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.319 7.827 4.469 1.00 1.00 N ATOM 0 H ASN A 44 -6.267 9.363 4.857 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.761 7.086 5.839 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.440 9.284 4.461 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.996 9.304 6.156 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -0.618 7.115 4.263 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.169 8.792 4.173 1.00 1.00 H new ATOM 241 N THR A 45 -5.006 8.117 8.130 1.00 1.00 N ATOM 242 CA THR A 45 -5.351 8.633 9.444 1.00 1.00 C ATOM 243 C THR A 45 -4.090 9.056 10.199 1.00 1.00 C ATOM 244 O THR A 45 -4.168 9.519 11.336 1.00 1.00 O ATOM 245 CB THR A 45 -6.166 7.562 10.173 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.542 6.337 9.800 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.590 7.437 9.627 1.00 1.00 C ATOM 0 H THR A 45 -4.620 7.173 8.130 1.00 1.00 H new ATOM 0 HA THR A 45 -5.963 9.532 9.368 1.00 1.00 H new ATOM 0 HB THR A 45 -6.205 7.797 11.237 1.00 1.00 H new ATOM 0 HG1 THR A 45 -6.007 5.589 10.230 1.00 1.00 H new ATOM 0 HG21 THR A 45 -8.125 6.664 10.179 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.108 8.389 9.742 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.553 7.169 8.571 1.00 1.00 H new ATOM 255 N VAL A 46 -2.956 8.881 9.536 1.00 1.00 N ATOM 256 CA VAL A 46 -1.679 9.239 10.131 1.00 1.00 C ATOM 257 C VAL A 46 -1.112 10.464 9.412 1.00 1.00 C ATOM 258 O VAL A 46 -0.828 11.482 10.042 1.00 1.00 O ATOM 259 CB VAL A 46 -0.733 8.037 10.101 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.634 8.400 10.684 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.342 6.841 10.835 1.00 1.00 C ATOM 0 H VAL A 46 -2.895 8.496 8.593 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.808 9.508 11.179 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.588 7.752 9.059 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.287 7.528 10.651 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.076 9.207 10.100 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.514 8.724 11.718 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.649 6.000 10.799 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.532 7.110 11.874 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.280 6.559 10.356 1.00 1.00 H new ATOM 271 N HIS A 47 -0.964 10.326 8.102 1.00 1.00 N ATOM 272 CA HIS A 47 -0.435 11.410 7.291 1.00 1.00 C ATOM 273 C HIS A 47 -1.502 11.874 6.297 1.00 1.00 C ATOM 274 O HIS A 47 -1.929 11.141 5.408 1.00 1.00 O ATOM 275 CB HIS A 47 0.868 10.991 6.608 1.00 1.00 C ATOM 276 CG HIS A 47 2.028 10.810 7.558 1.00 1.00 C ATOM 277 ND1 HIS A 47 3.290 10.429 7.136 1.00 1.00 N ATOM 278 CD2 HIS A 47 2.104 10.962 8.911 1.00 1.00 C ATOM 279 CE1 HIS A 47 4.082 10.357 8.196 1.00 1.00 C ATOM 280 NE2 HIS A 47 3.344 10.687 9.296 1.00 1.00 N ATOM 0 H HIS A 47 -1.201 9.481 7.583 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.187 12.259 7.928 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.701 10.057 6.072 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.134 11.742 5.864 1.00 1.00 H new ATOM 0 HD2 HIS A 47 1.292 11.256 9.560 1.00 1.00 H new ATOM 0 HE1 HIS A 47 5.127 10.085 8.191 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.689 10.717 10.256 1.00 1.00 H new ATOM 288 N PRO A 48 -1.929 13.127 6.472 1.00 1.00 N ATOM 289 CA PRO A 48 -2.930 13.770 5.649 1.00 1.00 C ATOM 290 C PRO A 48 -2.267 14.383 4.424 1.00 1.00 C ATOM 291 O PRO A 48 -2.891 15.211 3.762 1.00 1.00 O ATOM 292 CB PRO A 48 -3.536 14.851 6.542 1.00 1.00 C ATOM 293 CG PRO A 48 -2.299 15.277 7.370 1.00 1.00 C ATOM 294 CD PRO A 48 -1.449 14.016 7.508 1.00 1.00 C ATOM 0 HA PRO A 48 -3.690 13.078 5.287 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -3.951 15.678 5.965 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.339 14.465 7.169 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -1.745 16.071 6.869 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.593 15.661 8.347 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.390 14.238 7.379 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.563 13.569 8.496 1.00 1.00 H new ATOM 302 N GLU A 49 -1.036 13.975 4.149 1.00 1.00 N ATOM 303 CA GLU A 49 -0.313 14.499 3.002 1.00 1.00 C ATOM 304 C GLU A 49 0.310 13.355 2.199 1.00 1.00 C ATOM 305 O GLU A 49 1.061 13.592 1.255 1.00 1.00 O ATOM 306 CB GLU A 49 0.753 15.506 3.440 1.00 1.00 C ATOM 307 CG GLU A 49 1.773 14.852 4.374 1.00 1.00 C ATOM 308 CD GLU A 49 3.112 15.592 4.327 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.547 16.018 3.247 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.705 15.718 5.465 1.00 1.00 O ATOM 0 H GLU A 49 -0.522 13.288 4.700 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.020 15.024 2.360 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.262 15.907 2.563 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.278 16.347 3.946 1.00 1.00 H new ATOM 0 HG2 GLU A 49 1.389 14.851 5.394 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.919 13.810 4.087 1.00 1.00 H new ATOM 318 N LYS A 50 -0.026 12.139 2.605 1.00 1.00 N ATOM 319 CA LYS A 50 0.491 10.958 1.935 1.00 1.00 C ATOM 320 C LYS A 50 -0.670 10.021 1.594 1.00 1.00 C ATOM 321 O LYS A 50 -0.886 9.021 2.277 1.00 1.00 O ATOM 322 CB LYS A 50 1.586 10.300 2.777 1.00 1.00 C ATOM 323 CG LYS A 50 2.634 11.326 3.212 1.00 1.00 C ATOM 324 CD LYS A 50 4.019 10.953 2.681 1.00 1.00 C ATOM 325 CE LYS A 50 4.694 12.155 2.017 1.00 1.00 C ATOM 326 NZ LYS A 50 4.930 11.889 0.580 1.00 1.00 N ATOM 0 H LYS A 50 -0.649 11.946 3.389 1.00 1.00 H new ATOM 0 HA LYS A 50 0.967 11.232 0.994 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.142 9.833 3.656 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.065 9.507 2.202 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.354 12.314 2.847 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.661 11.384 4.300 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.640 10.589 3.499 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.930 10.139 1.962 1.00 1.00 H new ATOM 0 HE2 LYS A 50 4.068 13.040 2.131 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.641 12.368 2.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 5.389 12.715 0.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 5.546 11.057 0.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 4.022 11.708 0.107 1.00 1.00 H new ATOM 339 N THR A 51 -1.387 10.378 0.539 1.00 1.00 N ATOM 340 CA THR A 51 -2.520 9.582 0.099 1.00 1.00 C ATOM 341 C THR A 51 -2.075 8.545 -0.934 1.00 1.00 C ATOM 342 O THR A 51 -0.879 8.318 -1.115 1.00 1.00 O ATOM 343 CB THR A 51 -3.595 10.537 -0.422 1.00 1.00 C ATOM 344 OG1 THR A 51 -2.930 11.291 -1.432 1.00 1.00 O ATOM 345 CG2 THR A 51 -4.002 11.584 0.617 1.00 1.00 C ATOM 0 H THR A 51 -1.205 11.209 -0.024 1.00 1.00 H new ATOM 0 HA THR A 51 -2.945 9.010 0.924 1.00 1.00 H new ATOM 0 HB THR A 51 -4.472 9.965 -0.724 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.594 11.692 -2.031 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.767 12.236 0.196 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.397 11.084 1.501 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.132 12.178 0.895 1.00 1.00 H new ATOM 353 N LEU A 52 -3.060 7.946 -1.586 1.00 1.00 N ATOM 354 CA LEU A 52 -2.785 6.939 -2.597 1.00 1.00 C ATOM 355 C LEU A 52 -3.087 7.517 -3.981 1.00 1.00 C ATOM 356 O LEU A 52 -3.443 6.781 -4.901 1.00 1.00 O ATOM 357 CB LEU A 52 -3.547 5.648 -2.289 1.00 1.00 C ATOM 358 CG LEU A 52 -3.288 5.028 -0.915 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.198 3.821 -0.678 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.809 4.673 -0.744 1.00 1.00 C ATOM 0 H LEU A 52 -4.050 8.138 -1.434 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.729 6.668 -2.588 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.614 5.849 -2.379 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.296 4.911 -3.051 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.532 5.769 -0.154 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.994 3.399 0.306 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.240 4.136 -0.728 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.009 3.067 -1.443 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.652 4.234 0.241 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.516 3.957 -1.512 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.205 5.575 -0.840 1.00 1.00 H new ATOM 372 N ALA A 53 -2.935 8.829 -4.086 1.00 1.00 N ATOM 373 CA ALA A 53 -3.187 9.513 -5.343 1.00 1.00 C ATOM 374 C ALA A 53 -1.890 9.581 -6.151 1.00 1.00 C ATOM 375 O ALA A 53 -0.847 9.971 -5.627 1.00 1.00 O ATOM 376 CB ALA A 53 -3.771 10.899 -5.061 1.00 1.00 C ATOM 0 H ALA A 53 -2.641 9.436 -3.321 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.918 8.965 -5.938 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.960 11.413 -6.004 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.706 10.795 -4.510 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -3.063 11.478 -4.468 1.00 1.00 H new ATOM 382 N ARG A 54 -1.996 9.195 -7.414 1.00 1.00 N ATOM 383 CA ARG A 54 -0.844 9.207 -8.299 1.00 1.00 C ATOM 384 C ARG A 54 -0.133 10.560 -8.227 1.00 1.00 C ATOM 385 O ARG A 54 1.081 10.618 -8.040 1.00 1.00 O ATOM 386 CB ARG A 54 -1.259 8.933 -9.746 1.00 1.00 C ATOM 387 CG ARG A 54 -0.034 8.726 -10.638 1.00 1.00 C ATOM 388 CD ARG A 54 -0.296 9.236 -12.057 1.00 1.00 C ATOM 389 NE ARG A 54 0.867 10.016 -12.538 1.00 1.00 N ATOM 390 CZ ARG A 54 0.812 10.911 -13.546 1.00 1.00 C ATOM 391 NH1 ARG A 54 1.913 11.552 -13.893 1.00 1.00 N ATOM 392 NH2 ARG A 54 -0.350 11.148 -14.191 1.00 1.00 N ATOM 0 H ARG A 54 -2.862 8.872 -7.845 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.166 8.419 -7.972 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.895 8.048 -9.784 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.851 9.767 -10.123 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.823 9.249 -10.212 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.222 7.667 -10.670 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.482 8.396 -12.726 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -1.191 9.858 -12.069 1.00 1.00 H new ATOM 0 HE ARG A 54 1.766 9.867 -12.079 1.00 1.00 H new ATOM 0 HH11 ARG A 54 2.787 11.367 -13.401 1.00 1.00 H new ATOM 0 HH12 ARG A 54 1.889 12.232 -14.653 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -1.196 10.649 -13.917 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -0.382 11.827 -14.952 1.00 1.00 H new ATOM 402 N ALA A 55 -0.920 11.615 -8.380 1.00 1.00 N ATOM 403 CA ALA A 55 -0.382 12.964 -8.335 1.00 1.00 C ATOM 404 C ALA A 55 0.641 13.062 -7.200 1.00 1.00 C ATOM 405 O ALA A 55 1.620 13.798 -7.305 1.00 1.00 O ATOM 406 CB ALA A 55 -1.526 13.966 -8.176 1.00 1.00 C ATOM 0 H ALA A 55 -1.927 11.563 -8.535 1.00 1.00 H new ATOM 0 HA ALA A 55 0.133 13.203 -9.266 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -1.122 14.978 -8.142 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -2.209 13.876 -9.021 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -2.065 13.760 -7.251 1.00 1.00 H new ATOM 412 N ARG A 56 0.377 12.309 -6.142 1.00 1.00 N ATOM 413 CA ARG A 56 1.262 12.302 -4.990 1.00 1.00 C ATOM 414 C ARG A 56 2.274 11.161 -5.105 1.00 1.00 C ATOM 415 O ARG A 56 3.459 11.347 -4.830 1.00 1.00 O ATOM 416 CB ARG A 56 0.471 12.144 -3.690 1.00 1.00 C ATOM 417 CG ARG A 56 0.114 13.508 -3.096 1.00 1.00 C ATOM 418 CD ARG A 56 -0.861 14.262 -4.002 1.00 1.00 C ATOM 419 NE ARG A 56 -1.408 15.438 -3.289 1.00 1.00 N ATOM 420 CZ ARG A 56 -2.247 15.361 -2.234 1.00 1.00 C ATOM 421 NH1 ARG A 56 -2.675 16.477 -1.673 1.00 1.00 N ATOM 422 NH2 ARG A 56 -2.644 14.161 -1.760 1.00 1.00 N ATOM 0 H ARG A 56 -0.437 11.700 -6.059 1.00 1.00 H new ATOM 0 HA ARG A 56 1.787 13.257 -4.969 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.440 11.577 -3.881 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.057 11.572 -2.971 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -0.330 13.374 -2.110 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.020 14.098 -2.960 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -0.352 14.582 -4.911 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -1.673 13.601 -4.307 1.00 1.00 H new ATOM 0 HE ARG A 56 -1.134 16.365 -3.615 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -2.371 17.380 -2.037 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -3.309 16.436 -0.875 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -2.310 13.303 -2.199 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -3.278 14.112 -0.962 1.00 1.00 H new ATOM 432 N ARG A 57 1.771 10.005 -5.511 1.00 1.00 N ATOM 433 CA ARG A 57 2.617 8.833 -5.666 1.00 1.00 C ATOM 434 C ARG A 57 3.628 9.054 -6.793 1.00 1.00 C ATOM 435 O ARG A 57 4.528 8.240 -6.992 1.00 1.00 O ATOM 436 CB ARG A 57 1.783 7.588 -5.975 1.00 1.00 C ATOM 437 CG ARG A 57 0.658 7.415 -4.952 1.00 1.00 C ATOM 438 CD ARG A 57 1.137 6.612 -3.741 1.00 1.00 C ATOM 439 NE ARG A 57 2.322 7.264 -3.138 1.00 1.00 N ATOM 440 CZ ARG A 57 2.285 8.444 -2.484 1.00 1.00 C ATOM 441 NH1 ARG A 57 3.405 8.934 -1.985 1.00 1.00 N ATOM 442 NH2 ARG A 57 1.121 9.113 -2.342 1.00 1.00 N ATOM 0 H ARG A 57 0.788 9.854 -5.738 1.00 1.00 H new ATOM 0 HA ARG A 57 3.145 8.678 -4.725 1.00 1.00 H new ATOM 0 HB2 ARG A 57 1.360 7.668 -6.976 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.423 6.706 -5.969 1.00 1.00 H new ATOM 0 HG2 ARG A 57 0.303 8.393 -4.627 1.00 1.00 H new ATOM 0 HG3 ARG A 57 -0.187 6.908 -5.418 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.338 6.538 -3.004 1.00 1.00 H new ATOM 0 HD3 ARG A 57 1.386 5.595 -4.044 1.00 1.00 H new ATOM 0 HE ARG A 57 3.222 6.792 -3.222 1.00 1.00 H new ATOM 0 HH11 ARG A 57 4.280 8.422 -2.097 1.00 1.00 H new ATOM 0 HH12 ARG A 57 3.395 9.825 -1.488 1.00 1.00 H new ATOM 0 HH21 ARG A 57 0.260 8.727 -2.730 1.00 1.00 H new ATOM 0 HH22 ARG A 57 1.102 10.004 -1.846 1.00 1.00 H new ATOM 452 N GLU A 58 3.445 10.159 -7.501 1.00 1.00 N ATOM 453 CA GLU A 58 4.330 10.496 -8.603 1.00 1.00 C ATOM 454 C GLU A 58 5.553 11.258 -8.087 1.00 1.00 C ATOM 455 O GLU A 58 6.686 10.927 -8.432 1.00 1.00 O ATOM 456 CB GLU A 58 3.591 11.304 -9.672 1.00 1.00 C ATOM 457 CG GLU A 58 3.755 12.807 -9.434 1.00 1.00 C ATOM 458 CD GLU A 58 3.092 13.613 -10.552 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.723 13.046 -11.592 1.00 1.00 O ATOM 460 OE2 GLU A 58 2.964 14.874 -10.312 1.00 1.00 O ATOM 0 H GLU A 58 2.697 10.832 -7.333 1.00 1.00 H new ATOM 0 HA GLU A 58 4.672 9.570 -9.066 1.00 1.00 H new ATOM 0 HB2 GLU A 58 3.974 11.044 -10.659 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.533 11.044 -9.663 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.314 13.077 -8.475 1.00 1.00 H new ATOM 0 HG3 GLU A 58 4.815 13.057 -9.379 1.00 1.00 H new ATOM 468 N ALA A 59 5.281 12.265 -7.269 1.00 1.00 N ATOM 469 CA ALA A 59 6.345 13.077 -6.703 1.00 1.00 C ATOM 470 C ALA A 59 7.383 12.164 -6.048 1.00 1.00 C ATOM 471 O ALA A 59 8.581 12.312 -6.283 1.00 1.00 O ATOM 472 CB ALA A 59 5.749 14.084 -5.718 1.00 1.00 C ATOM 0 H ALA A 59 4.340 12.537 -6.985 1.00 1.00 H new ATOM 0 HA ALA A 59 6.852 13.645 -7.483 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.547 14.693 -5.293 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.040 14.727 -6.239 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.235 13.550 -4.918 1.00 1.00 H new ATOM 478 N ASN A 60 6.886 11.241 -5.238 1.00 1.00 N ATOM 479 CA ASN A 60 7.755 10.304 -4.547 1.00 1.00 C ATOM 480 C ASN A 60 8.144 9.175 -5.503 1.00 1.00 C ATOM 481 O ASN A 60 9.292 8.732 -5.512 1.00 1.00 O ATOM 482 CB ASN A 60 7.047 9.681 -3.342 1.00 1.00 C ATOM 483 CG ASN A 60 7.086 10.621 -2.136 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.720 11.870 -2.412 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.425 10.238 -1.029 1.00 1.00 N flip ATOM 0 H ASN A 60 5.892 11.122 -5.045 1.00 1.00 H new ATOM 0 HA ASN A 60 8.635 10.850 -4.206 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.012 9.457 -3.600 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.523 8.735 -3.085 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.694 9.265 -0.886 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.439 10.891 -0.246 1.00 1.00 H new ATOM 492 N GLY A 61 7.166 8.742 -6.285 1.00 1.00 N ATOM 493 CA GLY A 61 7.392 7.673 -7.243 1.00 1.00 C ATOM 494 C GLY A 61 6.991 6.318 -6.657 1.00 1.00 C ATOM 495 O GLY A 61 7.846 5.545 -6.228 1.00 1.00 O ATOM 0 H GLY A 61 6.215 9.112 -6.275 1.00 1.00 H new ATOM 0 HA2 GLY A 61 6.818 7.865 -8.150 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.444 7.653 -7.529 1.00 1.00 H new ATOM 499 N ILE A 62 5.689 6.071 -6.657 1.00 1.00 N ATOM 500 CA ILE A 62 5.163 4.823 -6.131 1.00 1.00 C ATOM 501 C ILE A 62 3.986 4.366 -6.994 1.00 1.00 C ATOM 502 O ILE A 62 2.886 4.152 -6.487 1.00 1.00 O ATOM 503 CB ILE A 62 4.818 4.970 -4.648 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.990 5.569 -3.868 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.359 3.636 -4.057 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.836 5.319 -2.367 1.00 1.00 C ATOM 0 H ILE A 62 4.983 6.715 -7.013 1.00 1.00 H new ATOM 0 HA ILE A 62 5.919 4.039 -6.183 1.00 1.00 H new ATOM 0 HB ILE A 62 3.984 5.666 -4.560 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.925 5.133 -4.219 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.047 6.641 -4.058 1.00 1.00 H new ATOM 0 HG21 ILE A 62 4.120 3.769 -3.002 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.473 3.288 -4.589 1.00 1.00 H new ATOM 0 HG23 ILE A 62 5.156 2.900 -4.159 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.683 5.755 -1.837 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.912 5.777 -2.015 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.804 4.246 -2.178 1.00 1.00 H new ATOM 518 N ARG A 63 4.258 4.229 -8.284 1.00 1.00 N ATOM 519 CA ARG A 63 3.234 3.801 -9.223 1.00 1.00 C ATOM 520 C ARG A 63 3.626 2.468 -9.864 1.00 1.00 C ATOM 521 O ARG A 63 3.741 2.374 -11.085 1.00 1.00 O ATOM 522 CB ARG A 63 3.022 4.845 -10.321 1.00 1.00 C ATOM 523 CG ARG A 63 3.145 6.263 -9.759 1.00 1.00 C ATOM 524 CD ARG A 63 4.331 7.000 -10.384 1.00 1.00 C ATOM 525 NE ARG A 63 5.587 6.600 -9.711 1.00 1.00 N ATOM 526 CZ ARG A 63 6.807 6.663 -10.286 1.00 1.00 C ATOM 527 NH1 ARG A 63 7.862 6.279 -9.592 1.00 1.00 N ATOM 528 NH2 ARG A 63 6.946 7.112 -11.552 1.00 1.00 N ATOM 0 H ARG A 63 5.172 4.407 -8.701 1.00 1.00 H new ATOM 0 HA ARG A 63 2.304 3.681 -8.668 1.00 1.00 H new ATOM 0 HB2 ARG A 63 3.756 4.699 -11.114 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.038 4.712 -10.770 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.226 6.816 -9.953 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.269 6.220 -8.677 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.391 6.773 -11.448 1.00 1.00 H new ATOM 0 HD3 ARG A 63 4.188 8.077 -10.295 1.00 1.00 H new ATOM 0 HE ARG A 63 5.527 6.255 -8.753 1.00 1.00 H new ATOM 0 HH11 ARG A 63 7.748 5.941 -8.636 1.00 1.00 H new ATOM 0 HH12 ARG A 63 8.791 6.320 -10.011 1.00 1.00 H new ATOM 0 HH21 ARG A 63 6.126 7.407 -12.082 1.00 1.00 H new ATOM 0 HH22 ARG A 63 7.871 7.156 -11.979 1.00 1.00 H new ATOM 538 N THR A 64 3.821 1.472 -9.012 1.00 1.00 N ATOM 539 CA THR A 64 4.198 0.150 -9.481 1.00 1.00 C ATOM 540 C THR A 64 3.697 -0.922 -8.511 1.00 1.00 C ATOM 541 O THR A 64 3.678 -0.709 -7.300 1.00 1.00 O ATOM 542 CB THR A 64 5.715 0.132 -9.676 1.00 1.00 C ATOM 543 OG1 THR A 64 6.230 0.616 -8.439 1.00 1.00 O ATOM 544 CG2 THR A 64 6.185 1.163 -10.705 1.00 1.00 C ATOM 0 H THR A 64 3.725 1.554 -8.000 1.00 1.00 H new ATOM 0 HA THR A 64 3.731 -0.078 -10.439 1.00 1.00 H new ATOM 0 HB THR A 64 6.029 -0.863 -9.990 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.873 1.335 -8.611 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.269 1.109 -10.806 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.720 0.953 -11.668 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.901 2.162 -10.375 1.00 1.00 H new ATOM 552 N VAL A 65 3.305 -2.053 -9.080 1.00 1.00 N ATOM 553 CA VAL A 65 2.806 -3.159 -8.281 1.00 1.00 C ATOM 554 C VAL A 65 3.888 -3.596 -7.291 1.00 1.00 C ATOM 555 O VAL A 65 3.639 -3.675 -6.089 1.00 1.00 O ATOM 556 CB VAL A 65 2.336 -4.294 -9.193 1.00 1.00 C ATOM 557 CG1 VAL A 65 2.236 -5.611 -8.422 1.00 1.00 C ATOM 558 CG2 VAL A 65 1.003 -3.946 -9.859 1.00 1.00 C ATOM 0 H VAL A 65 3.323 -2.227 -10.085 1.00 1.00 H new ATOM 0 HA VAL A 65 1.939 -2.848 -7.699 1.00 1.00 H new ATOM 0 HB VAL A 65 3.080 -4.422 -9.979 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.900 -6.401 -9.093 1.00 1.00 H new ATOM 0 HG12 VAL A 65 3.214 -5.871 -8.017 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.523 -5.501 -7.605 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.692 -4.769 -10.502 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.246 -3.778 -9.093 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.120 -3.043 -10.458 1.00 1.00 H new ATOM 568 N ARG A 66 5.065 -3.869 -7.833 1.00 1.00 N ATOM 569 CA ARG A 66 6.186 -4.297 -7.013 1.00 1.00 C ATOM 570 C ARG A 66 6.304 -3.410 -5.772 1.00 1.00 C ATOM 571 O ARG A 66 6.115 -3.878 -4.650 1.00 1.00 O ATOM 572 CB ARG A 66 7.497 -4.239 -7.799 1.00 1.00 C ATOM 573 CG ARG A 66 7.639 -5.452 -8.720 1.00 1.00 C ATOM 574 CD ARG A 66 8.209 -6.653 -7.962 1.00 1.00 C ATOM 575 NE ARG A 66 8.740 -7.650 -8.918 1.00 1.00 N ATOM 576 CZ ARG A 66 7.969 -8.413 -9.721 1.00 1.00 C ATOM 577 NH1 ARG A 66 8.549 -9.272 -10.538 1.00 1.00 N ATOM 578 NH2 ARG A 66 6.624 -8.298 -9.691 1.00 1.00 N ATOM 0 H ARG A 66 5.267 -3.802 -8.830 1.00 1.00 H new ATOM 0 HA ARG A 66 6.002 -5.328 -6.711 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.531 -3.324 -8.390 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.339 -4.203 -7.107 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.667 -5.710 -9.139 1.00 1.00 H new ATOM 0 HG3 ARG A 66 8.291 -5.203 -9.557 1.00 1.00 H new ATOM 0 HD2 ARG A 66 9.001 -6.326 -7.288 1.00 1.00 H new ATOM 0 HD3 ARG A 66 7.433 -7.106 -7.345 1.00 1.00 H new ATOM 0 HE ARG A 66 9.752 -7.768 -8.974 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.566 -9.352 -10.556 1.00 1.00 H new ATOM 0 HH12 ARG A 66 7.981 -9.856 -11.151 1.00 1.00 H new ATOM 0 HH21 ARG A 66 6.183 -7.631 -9.058 1.00 1.00 H new ATOM 0 HH22 ARG A 66 6.049 -8.879 -10.301 1.00 1.00 H new ATOM 588 N ASP A 67 6.615 -2.145 -6.015 1.00 1.00 N ATOM 589 CA ASP A 67 6.760 -1.189 -4.931 1.00 1.00 C ATOM 590 C ASP A 67 5.711 -1.480 -3.856 1.00 1.00 C ATOM 591 O ASP A 67 6.019 -1.471 -2.665 1.00 1.00 O ATOM 592 CB ASP A 67 6.545 0.243 -5.426 1.00 1.00 C ATOM 593 CG ASP A 67 7.713 0.836 -6.216 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.701 0.147 -6.510 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.579 2.078 -6.537 1.00 1.00 O ATOM 0 H ASP A 67 6.771 -1.760 -6.947 1.00 1.00 H new ATOM 0 HA ASP A 67 7.769 -1.284 -4.531 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.654 0.265 -6.053 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.346 0.883 -4.566 1.00 1.00 H new ATOM 601 N VAL A 68 4.494 -1.730 -4.314 1.00 1.00 N ATOM 602 CA VAL A 68 3.397 -2.023 -3.407 1.00 1.00 C ATOM 603 C VAL A 68 3.417 -3.511 -3.054 1.00 1.00 C ATOM 604 O VAL A 68 2.402 -4.195 -3.175 1.00 1.00 O ATOM 605 CB VAL A 68 2.072 -1.572 -4.025 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.922 -1.725 -3.027 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.167 -0.134 -4.537 1.00 1.00 C ATOM 0 H VAL A 68 4.243 -1.736 -5.303 1.00 1.00 H new ATOM 0 HA VAL A 68 3.511 -1.467 -2.477 1.00 1.00 H new ATOM 0 HB VAL A 68 1.863 -2.217 -4.878 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.008 -1.398 -3.491 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.832 -2.771 -2.733 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.122 -1.116 -2.145 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.212 0.161 -4.971 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.411 0.532 -3.709 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.946 -0.069 -5.296 1.00 1.00 H new ATOM 617 N ALA A 69 4.584 -3.969 -2.624 1.00 1.00 N ATOM 618 CA ALA A 69 4.749 -5.364 -2.253 1.00 1.00 C ATOM 619 C ALA A 69 6.071 -5.534 -1.502 1.00 1.00 C ATOM 620 O ALA A 69 6.135 -6.251 -0.504 1.00 1.00 O ATOM 621 CB ALA A 69 4.673 -6.239 -3.506 1.00 1.00 C ATOM 0 H ALA A 69 5.424 -3.399 -2.524 1.00 1.00 H new ATOM 0 HA ALA A 69 3.947 -5.681 -1.586 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.797 -7.285 -3.227 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.704 -6.104 -3.986 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.464 -5.952 -4.199 1.00 1.00 H new ATOM 627 N ALA A 70 7.094 -4.863 -2.010 1.00 1.00 N ATOM 628 CA ALA A 70 8.411 -4.931 -1.400 1.00 1.00 C ATOM 629 C ALA A 70 8.433 -4.056 -0.145 1.00 1.00 C ATOM 630 O ALA A 70 8.571 -4.531 0.980 1.00 1.00 O ATOM 631 CB ALA A 70 9.470 -4.511 -2.422 1.00 1.00 C ATOM 0 H ALA A 70 7.037 -4.269 -2.838 1.00 1.00 H new ATOM 0 HA ALA A 70 8.640 -5.952 -1.094 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.458 -4.562 -1.964 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.433 -5.181 -3.281 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.274 -3.490 -2.750 1.00 1.00 H new ATOM 637 N TYR A 71 8.291 -2.747 -0.367 1.00 1.00 N ATOM 638 CA TYR A 71 8.292 -1.785 0.716 1.00 1.00 C ATOM 639 C TYR A 71 7.409 -2.284 1.851 1.00 1.00 C ATOM 640 O TYR A 71 7.889 -2.380 2.980 1.00 1.00 O ATOM 641 CB TYR A 71 7.798 -0.437 0.198 1.00 1.00 C ATOM 642 CG TYR A 71 8.901 0.575 0.003 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.700 1.910 0.376 1.00 1.00 C ATOM 644 CD2 TYR A 71 10.125 0.180 -0.550 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.722 2.849 0.196 1.00 1.00 C ATOM 646 CE2 TYR A 71 11.147 1.119 -0.730 1.00 1.00 C ATOM 647 CZ TYR A 71 10.946 2.453 -0.357 1.00 1.00 C ATOM 648 OH TYR A 71 11.943 3.368 -0.532 1.00 1.00 O ATOM 0 H TYR A 71 8.174 -2.337 -1.294 1.00 1.00 H new ATOM 0 HA TYR A 71 9.305 -1.663 1.098 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.283 -0.588 -0.751 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.066 -0.034 0.898 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.756 2.215 0.803 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.281 -0.849 -0.838 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.567 3.878 0.483 1.00 1.00 H new ATOM 0 HE2 TYR A 71 12.091 0.814 -1.157 1.00 1.00 H new ATOM 0 HH TYR A 71 12.725 2.928 -0.926 1.00 1.00 H new ATOM 658 N ILE A 72 6.158 -2.588 1.539 1.00 1.00 N ATOM 659 CA ILE A 72 5.232 -3.073 2.548 1.00 1.00 C ATOM 660 C ILE A 72 5.963 -4.040 3.482 1.00 1.00 C ATOM 661 O ILE A 72 5.706 -4.060 4.685 1.00 1.00 O ATOM 662 CB ILE A 72 3.990 -3.676 1.889 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.370 -4.811 0.937 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.160 -2.596 1.191 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.273 -5.877 0.888 1.00 1.00 C ATOM 0 H ILE A 72 5.764 -2.508 0.602 1.00 1.00 H new ATOM 0 HA ILE A 72 4.871 -2.248 3.162 1.00 1.00 H new ATOM 0 HB ILE A 72 3.365 -4.108 2.671 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.538 -4.411 -0.063 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.307 -5.263 1.261 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.283 -3.052 0.731 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.841 -1.853 1.922 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.764 -2.113 0.422 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.569 -6.672 0.204 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.125 -6.292 1.885 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.343 -5.427 0.541 1.00 1.00 H new ATOM 677 N ARG A 73 6.860 -4.817 2.893 1.00 1.00 N ATOM 678 CA ARG A 73 7.630 -5.783 3.658 1.00 1.00 C ATOM 679 C ARG A 73 8.528 -5.066 4.668 1.00 1.00 C ATOM 680 O ARG A 73 8.432 -5.307 5.870 1.00 1.00 O ATOM 681 CB ARG A 73 8.495 -6.648 2.739 1.00 1.00 C ATOM 682 CG ARG A 73 9.034 -7.871 3.485 1.00 1.00 C ATOM 683 CD ARG A 73 8.878 -9.139 2.643 1.00 1.00 C ATOM 684 NE ARG A 73 10.209 -9.656 2.255 1.00 1.00 N ATOM 685 CZ ARG A 73 10.461 -10.947 1.954 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.689 -11.299 1.620 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.473 -11.866 1.994 1.00 1.00 N ATOM 0 H ARG A 73 7.071 -4.797 1.895 1.00 1.00 H new ATOM 0 HA ARG A 73 6.926 -6.426 4.186 1.00 1.00 H new ATOM 0 HB2 ARG A 73 7.908 -6.971 1.879 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.326 -6.057 2.354 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.086 -7.719 3.728 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.502 -7.989 4.429 1.00 1.00 H new ATOM 0 HD2 ARG A 73 8.335 -9.896 3.209 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.289 -8.923 1.752 1.00 1.00 H new ATOM 0 HE ARG A 73 10.985 -8.995 2.212 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.430 -10.599 1.592 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.896 -12.271 1.390 1.00 1.00 H new ATOM 0 HH21 ARG A 73 8.527 -11.587 2.253 1.00 1.00 H new ATOM 0 HH22 ARG A 73 9.673 -12.840 1.765 1.00 1.00 H new ATOM 697 N ASN A 74 9.382 -4.200 4.142 1.00 1.00 N ATOM 698 CA ASN A 74 10.296 -3.446 4.982 1.00 1.00 C ATOM 699 C ASN A 74 10.199 -1.960 4.631 1.00 1.00 C ATOM 700 O ASN A 74 11.079 -1.380 3.999 1.00 1.00 O ATOM 701 CB ASN A 74 11.743 -3.891 4.759 1.00 1.00 C ATOM 702 CG ASN A 74 12.599 -3.615 5.997 1.00 1.00 C ATOM 703 OD1 ASN A 74 12.735 -2.324 6.284 1.00 1.00 O flip ATOM 704 ND2 ASN A 74 13.102 -4.516 6.648 1.00 1.00 N flip ATOM 0 H ASN A 74 9.460 -4.004 3.144 1.00 1.00 H new ATOM 0 HA ASN A 74 10.020 -3.622 6.022 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.768 -4.955 4.525 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.160 -3.366 3.900 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.957 -5.487 6.372 1.00 1.00 H new ATOM 0 HD22 ASN A 74 13.667 -4.298 7.469 1.00 1.00 H new ATOM 711 N PRO A 75 9.092 -1.350 5.061 1.00 1.00 N ATOM 712 CA PRO A 75 8.795 0.049 4.842 1.00 1.00 C ATOM 713 C PRO A 75 9.474 0.889 5.915 1.00 1.00 C ATOM 714 O PRO A 75 10.092 0.319 6.813 1.00 1.00 O ATOM 715 CB PRO A 75 7.275 0.148 4.951 1.00 1.00 C ATOM 716 CG PRO A 75 6.923 -0.962 5.902 1.00 1.00 C ATOM 717 CD PRO A 75 8.037 -2.002 5.806 1.00 1.00 C ATOM 0 HA PRO A 75 9.152 0.413 3.879 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.962 1.120 5.333 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.793 0.016 3.982 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.835 -0.584 6.921 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.961 -1.402 5.641 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.381 -2.305 6.795 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.693 -2.903 5.298 1.00 1.00 H new ATOM 725 N GLY A 76 9.353 2.204 5.805 1.00 1.00 N ATOM 726 CA GLY A 76 9.965 3.095 6.775 1.00 1.00 C ATOM 727 C GLY A 76 8.994 3.416 7.913 1.00 1.00 C ATOM 728 O GLY A 76 7.887 2.889 7.995 1.00 1.00 O ATOM 0 H GLY A 76 8.840 2.673 5.059 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.866 2.634 7.180 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.273 4.018 6.283 1.00 1.00 H new ATOM 732 N PRO A 77 9.441 4.306 8.802 1.00 1.00 N ATOM 733 CA PRO A 77 8.690 4.757 9.955 1.00 1.00 C ATOM 734 C PRO A 77 7.330 5.273 9.507 1.00 1.00 C ATOM 735 O PRO A 77 7.201 5.688 8.357 1.00 1.00 O ATOM 736 CB PRO A 77 9.532 5.880 10.556 1.00 1.00 C ATOM 737 CG PRO A 77 10.909 5.629 10.092 1.00 1.00 C ATOM 738 CD PRO A 77 10.738 4.946 8.737 1.00 1.00 C ATOM 0 HA PRO A 77 8.506 3.964 10.680 1.00 1.00 H new ATOM 0 HB2 PRO A 77 9.178 6.856 10.225 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.477 5.873 11.645 1.00 1.00 H new ATOM 0 HG2 PRO A 77 11.472 6.558 10.000 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.454 4.994 10.791 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.781 5.669 7.922 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.529 4.218 8.559 1.00 1.00 H new ATOM 746 N GLY A 78 6.357 5.238 10.406 1.00 1.00 N ATOM 747 CA GLY A 78 5.020 5.705 10.080 1.00 1.00 C ATOM 748 C GLY A 78 4.124 4.544 9.646 1.00 1.00 C ATOM 749 O GLY A 78 2.926 4.541 9.928 1.00 1.00 O ATOM 0 H GLY A 78 6.468 4.894 11.360 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.583 6.202 10.946 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.074 6.445 9.282 1.00 1.00 H new ATOM 753 N MET A 79 4.738 3.586 8.968 1.00 1.00 N ATOM 754 CA MET A 79 4.010 2.421 8.493 1.00 1.00 C ATOM 755 C MET A 79 4.601 1.133 9.069 1.00 1.00 C ATOM 756 O MET A 79 5.806 0.896 9.036 1.00 1.00 O ATOM 757 CB MET A 79 4.068 2.372 6.965 1.00 1.00 C ATOM 758 CG MET A 79 2.854 1.635 6.394 1.00 1.00 C ATOM 759 SD MET A 79 2.657 2.032 4.665 1.00 1.00 S ATOM 760 CE MET A 79 3.121 0.471 3.934 1.00 1.00 C ATOM 0 H MET A 79 5.731 3.592 8.736 1.00 1.00 H new ATOM 0 HA MET A 79 2.975 2.502 8.824 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.103 3.386 6.566 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.984 1.873 6.648 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.980 0.559 6.517 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.956 1.915 6.945 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.053 0.543 2.848 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.144 0.226 4.218 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.449 -0.311 4.288 1.00 1.00 H new ATOM 770 N PRO A 80 3.711 0.293 9.604 1.00 1.00 N ATOM 771 CA PRO A 80 4.048 -0.980 10.202 1.00 1.00 C ATOM 772 C PRO A 80 4.837 -1.819 9.206 1.00 1.00 C ATOM 773 O PRO A 80 5.620 -1.255 8.443 1.00 1.00 O ATOM 774 CB PRO A 80 2.704 -1.631 10.521 1.00 1.00 C ATOM 775 CG PRO A 80 1.737 -0.533 10.595 1.00 1.00 C ATOM 776 CD PRO A 80 2.286 0.540 9.658 1.00 1.00 C ATOM 0 HA PRO A 80 4.666 -0.879 11.094 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.424 -2.348 9.749 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.748 -2.178 11.463 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.745 -0.859 10.283 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.644 -0.157 11.614 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.835 0.469 8.668 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.072 1.540 10.034 1.00 1.00 H new ATOM 784 N ALA A 81 4.623 -3.126 9.230 1.00 1.00 N ATOM 785 CA ALA A 81 5.326 -4.017 8.323 1.00 1.00 C ATOM 786 C ALA A 81 4.438 -5.221 8.006 1.00 1.00 C ATOM 787 O ALA A 81 3.420 -5.436 8.662 1.00 1.00 O ATOM 788 CB ALA A 81 6.664 -4.426 8.942 1.00 1.00 C ATOM 0 H ALA A 81 3.972 -3.590 9.864 1.00 1.00 H new ATOM 0 HA ALA A 81 5.544 -3.512 7.382 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.191 -5.094 8.261 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.270 -3.537 9.119 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.486 -4.938 9.888 1.00 1.00 H new ATOM 794 N PHE A 82 4.855 -5.976 7.000 1.00 1.00 N ATOM 795 CA PHE A 82 4.110 -7.153 6.589 1.00 1.00 C ATOM 796 C PHE A 82 5.036 -8.196 5.958 1.00 1.00 C ATOM 797 O PHE A 82 5.477 -8.033 4.821 1.00 1.00 O ATOM 798 CB PHE A 82 3.091 -6.695 5.543 1.00 1.00 C ATOM 799 CG PHE A 82 2.075 -5.679 6.069 1.00 1.00 C ATOM 800 CD1 PHE A 82 0.866 -6.102 6.528 1.00 1.00 C ATOM 801 CD2 PHE A 82 2.379 -4.354 6.077 1.00 1.00 C ATOM 802 CE1 PHE A 82 -0.077 -5.159 7.016 1.00 1.00 C ATOM 803 CE2 PHE A 82 1.436 -3.411 6.564 1.00 1.00 C ATOM 804 CZ PHE A 82 0.228 -3.834 7.024 1.00 1.00 C ATOM 0 H PHE A 82 5.700 -5.795 6.458 1.00 1.00 H new ATOM 0 HA PHE A 82 3.629 -7.609 7.454 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.624 -6.257 4.699 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.556 -7.566 5.165 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.624 -7.154 6.521 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.339 -4.018 5.713 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -1.037 -5.494 7.381 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.678 -2.358 6.569 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.489 -3.117 7.396 1.00 1.00 H new ATOM 814 N GLY A 83 5.303 -9.243 6.724 1.00 1.00 N ATOM 815 CA GLY A 83 6.169 -10.312 6.254 1.00 1.00 C ATOM 816 C GLY A 83 5.348 -11.514 5.781 1.00 1.00 C ATOM 817 O GLY A 83 4.129 -11.422 5.643 1.00 1.00 O ATOM 0 H GLY A 83 4.936 -9.374 7.666 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.792 -9.948 5.437 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.842 -10.619 7.055 1.00 1.00 H new ATOM 821 N GLU A 84 6.050 -12.612 5.544 1.00 1.00 N ATOM 822 CA GLU A 84 5.402 -13.830 5.089 1.00 1.00 C ATOM 823 C GLU A 84 4.719 -14.538 6.260 1.00 1.00 C ATOM 824 O GLU A 84 4.161 -15.622 6.096 1.00 1.00 O ATOM 825 CB GLU A 84 6.403 -14.758 4.396 1.00 1.00 C ATOM 826 CG GLU A 84 7.425 -15.305 5.394 1.00 1.00 C ATOM 827 CD GLU A 84 8.848 -15.175 4.849 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.359 -16.112 4.218 1.00 1.00 O ATOM 829 OE2 GLU A 84 9.427 -14.050 5.100 1.00 1.00 O ATOM 0 H GLU A 84 7.061 -12.684 5.658 1.00 1.00 H new ATOM 0 HA GLU A 84 4.639 -13.561 4.358 1.00 1.00 H new ATOM 0 HB2 GLU A 84 5.872 -15.585 3.924 1.00 1.00 H new ATOM 0 HB3 GLU A 84 6.918 -14.216 3.603 1.00 1.00 H new ATOM 0 HG2 GLU A 84 7.342 -14.765 6.337 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.207 -16.352 5.606 1.00 1.00 H new ATOM 837 N ALA A 85 4.785 -13.897 7.418 1.00 1.00 N ATOM 838 CA ALA A 85 4.180 -14.451 8.617 1.00 1.00 C ATOM 839 C ALA A 85 2.665 -14.543 8.422 1.00 1.00 C ATOM 840 O ALA A 85 2.047 -15.538 8.799 1.00 1.00 O ATOM 841 CB ALA A 85 4.561 -13.594 9.825 1.00 1.00 C ATOM 0 H ALA A 85 5.249 -12.998 7.551 1.00 1.00 H new ATOM 0 HA ALA A 85 4.551 -15.459 8.803 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.107 -14.010 10.724 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.645 -13.585 9.937 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.203 -12.575 9.676 1.00 1.00 H new ATOM 847 N MET A 86 2.111 -13.493 7.834 1.00 1.00 N ATOM 848 CA MET A 86 0.680 -13.443 7.585 1.00 1.00 C ATOM 849 C MET A 86 0.386 -13.408 6.084 1.00 1.00 C ATOM 850 O MET A 86 -0.370 -14.236 5.577 1.00 1.00 O ATOM 851 CB MET A 86 0.089 -12.199 8.251 1.00 1.00 C ATOM 852 CG MET A 86 -1.423 -12.341 8.434 1.00 1.00 C ATOM 853 SD MET A 86 -2.022 -11.094 9.562 1.00 1.00 S ATOM 854 CE MET A 86 -1.199 -11.610 11.060 1.00 1.00 C ATOM 0 H MET A 86 2.627 -12.670 7.523 1.00 1.00 H new ATOM 0 HA MET A 86 0.225 -14.341 8.004 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.563 -12.041 9.220 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.304 -11.320 7.644 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.925 -12.243 7.471 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.659 -13.334 8.817 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.839 -11.402 11.917 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.993 -12.679 11.012 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.261 -11.064 11.167 1.00 1.00 H new ATOM 864 N ILE A 87 0.999 -12.442 5.416 1.00 1.00 N ATOM 865 CA ILE A 87 0.812 -12.288 3.983 1.00 1.00 C ATOM 866 C ILE A 87 2.139 -12.554 3.269 1.00 1.00 C ATOM 867 O ILE A 87 3.132 -11.854 3.456 1.00 1.00 O ATOM 868 CB ILE A 87 0.205 -10.920 3.665 1.00 1.00 C ATOM 869 CG1 ILE A 87 -1.019 -10.646 4.542 1.00 1.00 C ATOM 870 CG2 ILE A 87 -0.117 -10.796 2.175 1.00 1.00 C ATOM 871 CD1 ILE A 87 -2.003 -9.715 3.832 1.00 1.00 C ATOM 0 H ILE A 87 1.626 -11.758 5.840 1.00 1.00 H new ATOM 0 HA ILE A 87 0.097 -13.021 3.611 1.00 1.00 H new ATOM 0 HB ILE A 87 0.945 -10.155 3.898 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.514 -11.586 4.787 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.703 -10.198 5.484 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.547 -9.814 1.976 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.797 -10.916 1.594 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.831 -11.569 1.891 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.864 -9.536 4.476 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.512 -8.767 3.611 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.335 -10.177 2.902 1.00 1.00 H new ATOM 883 N PRO A 88 2.132 -13.596 2.434 1.00 1.00 N ATOM 884 CA PRO A 88 3.273 -14.025 1.655 1.00 1.00 C ATOM 885 C PRO A 88 3.526 -13.032 0.530 1.00 1.00 C ATOM 886 O PRO A 88 2.585 -12.534 -0.084 1.00 1.00 O ATOM 887 CB PRO A 88 2.878 -15.392 1.102 1.00 1.00 C ATOM 888 CG PRO A 88 1.403 -15.359 1.046 1.00 1.00 C ATOM 889 CD PRO A 88 0.982 -14.439 2.190 1.00 1.00 C ATOM 0 HA PRO A 88 4.190 -14.081 2.241 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.309 -15.560 0.115 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.232 -16.197 1.745 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.053 -14.980 0.086 1.00 1.00 H new ATOM 0 HG3 PRO A 88 0.981 -16.357 1.167 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.108 -13.846 1.919 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.716 -15.011 3.079 1.00 1.00 H new ATOM 897 N PRO A 89 4.801 -12.745 0.260 1.00 1.00 N ATOM 898 CA PRO A 89 5.230 -11.827 -0.773 1.00 1.00 C ATOM 899 C PRO A 89 4.376 -12.023 -2.017 1.00 1.00 C ATOM 900 O PRO A 89 3.921 -11.033 -2.588 1.00 1.00 O ATOM 901 CB PRO A 89 6.687 -12.195 -1.045 1.00 1.00 C ATOM 902 CG PRO A 89 7.160 -12.772 0.232 1.00 1.00 C ATOM 903 CD PRO A 89 5.933 -13.313 0.961 1.00 1.00 C ATOM 0 HA PRO A 89 5.130 -10.782 -0.480 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.771 -12.912 -1.861 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.273 -11.320 -1.328 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.883 -13.568 0.051 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.663 -12.015 0.834 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.907 -14.402 0.935 1.00 1.00 H new ATOM 0 HD3 PRO A 89 5.936 -13.019 2.011 1.00 1.00 H new ATOM 911 N ALA A 90 4.178 -13.273 -2.410 1.00 1.00 N ATOM 912 CA ALA A 90 3.379 -13.569 -3.587 1.00 1.00 C ATOM 913 C ALA A 90 1.981 -12.973 -3.413 1.00 1.00 C ATOM 914 O ALA A 90 1.429 -12.392 -4.346 1.00 1.00 O ATOM 915 CB ALA A 90 3.344 -15.083 -3.812 1.00 1.00 C ATOM 0 H ALA A 90 4.557 -14.092 -1.934 1.00 1.00 H new ATOM 0 HA ALA A 90 3.821 -13.117 -4.475 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.745 -15.306 -4.695 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.359 -15.452 -3.960 1.00 1.00 H new ATOM 0 HB3 ALA A 90 2.903 -15.570 -2.942 1.00 1.00 H new ATOM 921 N ASP A 91 1.448 -13.138 -2.211 1.00 1.00 N ATOM 922 CA ASP A 91 0.125 -12.623 -1.902 1.00 1.00 C ATOM 923 C ASP A 91 0.172 -11.094 -1.867 1.00 1.00 C ATOM 924 O ASP A 91 -0.867 -10.438 -1.834 1.00 1.00 O ATOM 925 CB ASP A 91 -0.351 -13.113 -0.533 1.00 1.00 C ATOM 926 CG ASP A 91 -0.871 -14.551 -0.505 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.802 -14.879 0.246 1.00 1.00 O ATOM 928 OD2 ASP A 91 -0.273 -15.363 -1.309 1.00 1.00 O ATOM 0 H ASP A 91 1.909 -13.621 -1.440 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.562 -12.977 -2.671 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.474 -13.027 0.174 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.142 -12.450 -0.181 1.00 1.00 H new ATOM 934 N ALA A 92 1.390 -10.571 -1.876 1.00 1.00 N ATOM 935 CA ALA A 92 1.587 -9.132 -1.845 1.00 1.00 C ATOM 936 C ALA A 92 1.445 -8.572 -3.262 1.00 1.00 C ATOM 937 O ALA A 92 0.878 -7.498 -3.455 1.00 1.00 O ATOM 938 CB ALA A 92 2.950 -8.816 -1.228 1.00 1.00 C ATOM 0 H ALA A 92 2.250 -11.119 -1.904 1.00 1.00 H new ATOM 0 HA ALA A 92 0.829 -8.654 -1.224 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.097 -7.736 -1.205 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.990 -9.209 -0.212 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.736 -9.277 -1.826 1.00 1.00 H new ATOM 944 N LEU A 93 1.969 -9.326 -4.218 1.00 1.00 N ATOM 945 CA LEU A 93 1.907 -8.919 -5.611 1.00 1.00 C ATOM 946 C LEU A 93 0.443 -8.809 -6.042 1.00 1.00 C ATOM 947 O LEU A 93 0.141 -8.229 -7.084 1.00 1.00 O ATOM 948 CB LEU A 93 2.735 -9.866 -6.483 1.00 1.00 C ATOM 949 CG LEU A 93 4.248 -9.834 -6.258 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.924 -11.045 -6.905 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.847 -8.514 -6.747 1.00 1.00 C ATOM 0 H LEU A 93 2.438 -10.217 -4.055 1.00 1.00 H new ATOM 0 HA LEU A 93 2.352 -7.932 -5.739 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.384 -10.884 -6.314 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.538 -9.630 -7.529 1.00 1.00 H new ATOM 0 HG LEU A 93 4.436 -9.895 -5.186 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.999 -10.998 -6.730 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.525 -11.961 -6.469 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.730 -11.040 -7.978 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.923 -8.517 -6.575 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.650 -8.398 -7.813 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.395 -7.685 -6.202 1.00 1.00 H new ATOM 963 N LYS A 94 -0.427 -9.373 -5.217 1.00 1.00 N ATOM 964 CA LYS A 94 -1.852 -9.345 -5.500 1.00 1.00 C ATOM 965 C LYS A 94 -2.455 -8.059 -4.931 1.00 1.00 C ATOM 966 O LYS A 94 -3.417 -7.524 -5.481 1.00 1.00 O ATOM 967 CB LYS A 94 -2.525 -10.619 -4.986 1.00 1.00 C ATOM 968 CG LYS A 94 -4.049 -10.483 -5.013 1.00 1.00 C ATOM 969 CD LYS A 94 -4.649 -10.762 -3.633 1.00 1.00 C ATOM 970 CE LYS A 94 -4.745 -12.267 -3.371 1.00 1.00 C ATOM 971 NZ LYS A 94 -3.404 -12.831 -3.095 1.00 1.00 N ATOM 0 H LYS A 94 -0.173 -9.852 -4.353 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.027 -9.331 -6.576 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -2.221 -11.468 -5.599 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.193 -10.825 -3.969 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.322 -9.478 -5.336 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.467 -11.177 -5.742 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.035 -10.294 -2.864 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.640 -10.314 -3.566 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -5.406 -12.453 -2.524 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.185 -12.765 -4.235 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -3.504 -13.723 -2.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -2.912 -13.012 -3.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -2.853 -12.155 -2.529 1.00 1.00 H new ATOM 984 N ILE A 95 -1.865 -7.599 -3.838 1.00 1.00 N ATOM 985 CA ILE A 95 -2.331 -6.386 -3.189 1.00 1.00 C ATOM 986 C ILE A 95 -1.986 -5.179 -4.064 1.00 1.00 C ATOM 987 O ILE A 95 -2.848 -4.351 -4.354 1.00 1.00 O ATOM 988 CB ILE A 95 -1.777 -6.292 -1.766 1.00 1.00 C ATOM 989 CG1 ILE A 95 -2.010 -7.595 -1.000 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.358 -5.082 -1.030 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.459 -7.696 -0.518 1.00 1.00 C ATOM 0 H ILE A 95 -1.067 -8.045 -3.385 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.416 -6.404 -3.083 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.699 -6.144 -1.828 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.776 -8.445 -1.641 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.335 -7.645 -0.146 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.948 -5.039 -0.021 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.098 -4.170 -1.567 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.443 -5.175 -0.977 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.598 -8.632 0.024 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.682 -6.858 0.142 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.131 -7.670 -1.376 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.723 -5.118 -4.461 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.253 -4.027 -5.297 1.00 1.00 C ATOM 1005 C GLY A 96 -1.232 -3.751 -6.440 1.00 1.00 C ATOM 1006 O GLY A 96 -1.307 -2.630 -6.941 1.00 1.00 O ATOM 0 H GLY A 96 -0.011 -5.807 -4.219 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.131 -3.128 -4.693 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.728 -4.273 -5.705 1.00 1.00 H new ATOM 1010 N GLU A 97 -1.959 -4.792 -6.819 1.00 1.00 N ATOM 1011 CA GLU A 97 -2.930 -4.676 -7.893 1.00 1.00 C ATOM 1012 C GLU A 97 -4.097 -3.787 -7.459 1.00 1.00 C ATOM 1013 O GLU A 97 -4.507 -2.861 -8.156 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.426 -6.054 -8.335 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.273 -7.057 -8.398 1.00 1.00 C ATOM 1016 CD GLU A 97 -2.672 -8.303 -9.191 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.845 -8.705 -9.164 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -1.715 -8.859 -9.854 1.00 1.00 O ATOM 0 H GLU A 97 -1.895 -5.720 -6.401 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.442 -4.210 -8.749 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.186 -6.411 -7.640 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -3.900 -5.977 -9.314 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.405 -6.589 -8.862 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -1.980 -7.343 -7.388 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.630 -4.093 -6.274 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.743 -3.348 -5.723 1.00 1.00 C ATOM 1028 C TYR A 98 -5.436 -1.857 -5.761 1.00 1.00 C ATOM 1029 O TYR A 98 -6.368 -1.060 -5.852 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.004 -3.810 -4.292 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.243 -3.202 -3.678 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -8.509 -3.555 -4.161 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -7.125 -2.285 -2.627 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -9.657 -2.992 -3.591 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -8.274 -1.722 -2.058 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.539 -2.075 -2.540 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.658 -1.527 -1.985 1.00 1.00 O ATOM 0 H TYR A 98 -4.301 -4.856 -5.683 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.638 -3.529 -6.319 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.098 -4.896 -4.281 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.142 -3.559 -3.675 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -8.600 -4.261 -4.973 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -6.148 -2.012 -2.255 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -10.634 -3.265 -3.962 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -8.184 -1.015 -1.247 1.00 1.00 H new ATOM 0 HH TYR A 98 -10.400 -0.912 -1.267 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.159 -1.513 -5.692 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.757 -0.117 -5.720 1.00 1.00 C ATOM 1049 C VAL A 99 -3.490 0.303 -7.167 1.00 1.00 C ATOM 1050 O VAL A 99 -2.738 1.244 -7.415 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.552 0.100 -4.803 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -1.982 1.510 -4.970 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -2.918 -0.173 -3.342 1.00 1.00 C ATOM 0 H VAL A 99 -3.389 -2.177 -5.617 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.557 0.518 -5.339 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.779 -0.611 -5.094 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.126 1.638 -4.307 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.665 1.654 -6.003 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.748 2.244 -4.720 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.044 -0.011 -2.712 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.717 0.502 -3.035 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.255 -1.204 -3.238 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.121 -0.415 -8.084 1.00 1.00 N ATOM 1064 CA VAL A 100 -3.961 -0.129 -9.500 1.00 1.00 C ATOM 1065 C VAL A 100 -5.326 -0.195 -10.186 1.00 1.00 C ATOM 1066 O VAL A 100 -5.410 -0.162 -11.413 1.00 1.00 O ATOM 1067 CB VAL A 100 -2.936 -1.084 -10.114 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -2.858 -0.903 -11.631 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.560 -0.901 -9.469 1.00 1.00 C ATOM 0 H VAL A 100 -4.744 -1.195 -7.874 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.573 0.879 -9.645 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.267 -2.103 -9.914 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.122 -1.594 -12.042 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -3.834 -1.107 -12.072 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.563 0.121 -11.861 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -0.850 -1.592 -9.924 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.219 0.123 -9.623 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.629 -1.103 -8.400 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.362 -0.288 -9.366 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.720 -0.359 -9.879 1.00 1.00 C ATOM 1081 C ALA A 101 -8.480 0.906 -9.475 1.00 1.00 C ATOM 1082 O ALA A 101 -9.460 1.277 -10.118 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.394 -1.633 -9.365 1.00 1.00 C ATOM 0 H ALA A 101 -6.289 -0.316 -8.349 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.717 -0.408 -10.968 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.412 -1.686 -9.750 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.832 -2.504 -9.703 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.418 -1.618 -8.275 1.00 1.00 H new ATOM 1089 N SER A 102 -7.998 1.533 -8.412 1.00 1.00 N ATOM 1090 CA SER A 102 -8.620 2.749 -7.915 1.00 1.00 C ATOM 1091 C SER A 102 -7.755 3.961 -8.267 1.00 1.00 C ATOM 1092 O SER A 102 -8.200 5.101 -8.147 1.00 1.00 O ATOM 1093 CB SER A 102 -8.842 2.676 -6.403 1.00 1.00 C ATOM 1094 OG SER A 102 -7.705 2.153 -5.721 1.00 1.00 O ATOM 0 H SER A 102 -7.184 1.222 -7.881 1.00 1.00 H new ATOM 0 HA SER A 102 -9.594 2.855 -8.393 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.067 3.672 -6.021 1.00 1.00 H new ATOM 0 HB3 SER A 102 -9.710 2.050 -6.194 1.00 1.00 H new ATOM 0 HG SER A 102 -7.035 2.860 -5.612 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.534 3.672 -8.693 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.603 4.725 -9.062 1.00 1.00 C ATOM 1102 C PHE A 103 -4.223 4.147 -9.385 1.00 1.00 C ATOM 1103 O PHE A 103 -3.338 4.060 -8.537 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.482 5.659 -7.857 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.841 5.003 -6.522 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.223 3.852 -6.143 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.777 5.570 -5.715 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.556 3.243 -4.904 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.110 4.961 -4.477 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.493 3.810 -4.097 1.00 1.00 C ATOM 0 H PHE A 103 -6.168 2.725 -8.791 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.965 5.248 -9.947 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.460 6.034 -7.802 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.130 6.521 -8.012 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.480 3.402 -6.784 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.267 6.484 -6.016 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.065 2.329 -4.602 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.854 5.412 -3.836 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.747 3.346 -3.155 1.00 1.00 H new ATOM 1120 N PRO A 104 -4.059 3.750 -10.649 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.838 3.176 -11.172 1.00 1.00 C ATOM 1122 C PRO A 104 -1.696 4.169 -11.006 1.00 1.00 C ATOM 1123 O PRO A 104 -0.573 3.903 -11.428 1.00 1.00 O ATOM 1124 CB PRO A 104 -3.128 2.917 -12.649 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.647 2.843 -12.746 1.00 1.00 C ATOM 1126 CD PRO A 104 -5.079 3.838 -11.671 1.00 1.00 C ATOM 0 HA PRO A 104 -2.543 2.262 -10.656 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.731 3.716 -13.275 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.665 1.989 -12.985 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -5.008 3.127 -13.735 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -5.021 1.839 -12.547 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.149 4.849 -12.073 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -6.061 3.586 -11.271 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.529 2.639 4.261 1.00 1.00 FE HETATM 1136 CHA HEC A 201 2.045 5.353 2.836 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.312 1.176 1.027 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.960 -0.241 5.510 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.324 4.174 7.238 1.00 1.00 C HETATM 1140 NA HEC A 201 1.075 3.143 2.326 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.674 4.336 1.962 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.866 4.385 0.532 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.387 3.229 0.027 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.893 2.452 1.140 1.00 1.00 C HETATM 1145 CMA HEC A 201 1.353 2.791 -1.408 1.00 1.00 C HETATM 1146 CAA HEC A 201 2.488 5.531 -0.212 1.00 1.00 C HETATM 1147 CBA HEC A 201 1.627 6.790 -0.245 1.00 1.00 C HETATM 1148 CGA HEC A 201 0.691 6.845 0.953 1.00 1.00 C HETATM 1149 O1A HEC A 201 -0.328 6.123 0.911 1.00 1.00 O HETATM 1150 O2A HEC A 201 1.012 7.609 1.890 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.192 0.843 3.418 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.162 0.427 2.099 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.697 -0.909 1.982 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.050 -1.305 3.223 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.738 -0.218 4.121 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.818 -1.676 0.698 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.656 -2.614 3.638 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.882 -3.837 3.154 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.110 2.046 6.046 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.742 0.872 6.417 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.220 0.967 7.776 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.882 2.192 8.230 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.191 2.867 7.157 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.953 -0.120 8.507 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.151 2.783 9.584 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.711 1.897 10.746 1.00 1.00 C HETATM 1167 ND HEC A 201 1.002 4.414 4.878 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.969 4.833 6.196 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.706 6.066 6.348 1.00 1.00 C HETATM 1170 C3D HEC A 201 2.184 6.396 5.130 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.748 5.370 4.211 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.880 6.808 7.641 1.00 1.00 C HETATM 1173 CAD HEC A 201 3.013 7.589 4.754 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.518 7.340 4.807 1.00 1.00 C HETATM 1175 CGD HEC A 201 5.202 8.321 5.748 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.857 7.836 6.697 1.00 1.00 O HETATM 1177 O2D HEC A 201 5.059 9.538 5.503 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.903 7.094 8.031 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.385 6.167 8.363 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.478 7.703 7.469 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.873 -0.361 7.974 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.324 -1.008 8.564 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.195 0.218 9.514 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.458 -1.129 0.006 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.170 -1.803 0.255 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.254 -2.655 0.899 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.765 3.500 -1.991 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 2.369 2.752 -1.801 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.900 1.802 -1.476 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.710 6.319 5.138 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.941 7.435 3.807 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.241 0.946 10.699 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.362 1.718 10.681 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.939 2.394 11.689 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.840 -3.833 2.065 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.131 -3.809 3.557 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.383 -4.743 3.495 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 2.267 7.672 -0.251 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 1.045 6.812 -1.166 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.742 7.904 3.746 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.768 8.414 5.422 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 3.447 5.771 0.247 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 2.694 5.217 -1.235 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.210 4.707 8.182 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.326 -1.172 5.942 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.227 0.744 0.030 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.604 6.195 2.427 1.00 1.00 H new HETATM 0 H2D HEC A 201 4.206 9.848 5.872 1.00 1.00 H new HETATM 0 H2A HEC A 201 0.219 7.823 2.424 1.00 1.00 H new