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= -3.11! X(o=-2.8!,f=-2.9) USER MOD Set 1.2: A 201 HEC O2D : rot 43:sc= 0.315 USER MOD Set 2.1: A 44 ASN : amide:sc= -5.94! C(o=-6.4!,f=-12!) USER MOD Set 2.2: A 201 HEC O2A : rot -120:sc= -0.474 USER MOD Single : A 33 THR OG1 : rot 25:sc= 0.79 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0868 F(o=-0.47,f=0.087) USER MOD Single : A 41 GLN : amide:sc= -0.0707 K(o=-0.071,f=-0.69) USER MOD Single : A 45 THR OG1 : rot 119:sc= -1.37 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0704 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.131 F(o=-2.4!,f=-0.13) USER MOD Single : A 64 THR OG1 : rot -120:sc= -0.836 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0779 K(o=-0.078,f=-1.6!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -149:sc= -0.319 (180deg=-1.37!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 79:sc= 1.92 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -12.957 -7.885 -3.029 1.00 1.00 N ATOM 2 CA ALA A 25 -12.442 -8.238 -4.341 1.00 1.00 C ATOM 3 C ALA A 25 -11.068 -8.893 -4.186 1.00 1.00 C ATOM 4 O ALA A 25 -10.084 -8.422 -4.755 1.00 1.00 O ATOM 5 CB ALA A 25 -12.396 -6.990 -5.225 1.00 1.00 C ATOM 0 HA ALA A 25 -13.098 -8.959 -4.829 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.010 -7.255 -6.209 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.401 -6.580 -5.328 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.745 -6.245 -4.768 1.00 1.00 H new ATOM 11 N GLY A 26 -11.044 -9.968 -3.412 1.00 1.00 N ATOM 12 CA GLY A 26 -9.807 -10.692 -3.174 1.00 1.00 C ATOM 13 C GLY A 26 -8.748 -9.778 -2.554 1.00 1.00 C ATOM 14 O GLY A 26 -8.639 -9.688 -1.332 1.00 1.00 O ATOM 0 H GLY A 26 -11.862 -10.355 -2.941 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -9.997 -11.536 -2.511 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.435 -11.102 -4.113 1.00 1.00 H new ATOM 18 N GLY A 27 -7.993 -9.124 -3.425 1.00 1.00 N ATOM 19 CA GLY A 27 -6.946 -8.221 -2.978 1.00 1.00 C ATOM 20 C GLY A 27 -7.517 -7.122 -2.080 1.00 1.00 C ATOM 21 O GLY A 27 -6.815 -6.589 -1.221 1.00 1.00 O ATOM 0 H GLY A 27 -8.086 -9.202 -4.438 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.185 -8.781 -2.434 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.455 -7.772 -3.841 1.00 1.00 H new ATOM 25 N GLY A 28 -8.785 -6.814 -2.309 1.00 1.00 N ATOM 26 CA GLY A 28 -9.458 -5.787 -1.532 1.00 1.00 C ATOM 27 C GLY A 28 -9.759 -6.281 -0.116 1.00 1.00 C ATOM 28 O GLY A 28 -9.544 -5.559 0.857 1.00 1.00 O ATOM 0 H GLY A 28 -9.364 -7.258 -3.022 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.834 -4.894 -1.485 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.386 -5.501 -2.027 1.00 1.00 H new ATOM 32 N GLU A 29 -10.253 -7.509 -0.044 1.00 1.00 N ATOM 33 CA GLU A 29 -10.586 -8.108 1.238 1.00 1.00 C ATOM 34 C GLU A 29 -9.365 -8.101 2.160 1.00 1.00 C ATOM 35 O GLU A 29 -9.506 -8.118 3.382 1.00 1.00 O ATOM 36 CB GLU A 29 -11.127 -9.527 1.055 1.00 1.00 C ATOM 37 CG GLU A 29 -11.614 -10.103 2.386 1.00 1.00 C ATOM 38 CD GLU A 29 -13.132 -9.965 2.520 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.744 -9.144 1.821 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.676 -10.748 3.389 1.00 1.00 O ATOM 0 H GLU A 29 -10.431 -8.105 -0.852 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.371 -7.512 1.703 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.947 -9.518 0.337 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.348 -10.167 0.641 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.333 -11.154 2.456 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -11.124 -9.586 3.211 1.00 1.00 H new ATOM 48 N LEU A 30 -8.194 -8.075 1.540 1.00 1.00 N ATOM 49 CA LEU A 30 -6.950 -8.065 2.290 1.00 1.00 C ATOM 50 C LEU A 30 -6.598 -6.625 2.668 1.00 1.00 C ATOM 51 O LEU A 30 -6.231 -6.351 3.809 1.00 1.00 O ATOM 52 CB LEU A 30 -5.848 -8.782 1.508 1.00 1.00 C ATOM 53 CG LEU A 30 -6.207 -10.163 0.956 1.00 1.00 C ATOM 54 CD1 LEU A 30 -5.018 -10.787 0.222 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.740 -11.075 2.063 1.00 1.00 C ATOM 0 H LEU A 30 -8.081 -8.061 0.526 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.062 -8.621 3.221 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.549 -8.146 0.675 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.979 -8.887 2.157 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.007 -10.041 0.226 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.300 -11.768 -0.160 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.725 -10.145 -0.608 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.180 -10.894 0.911 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.988 -12.050 1.643 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.979 -11.194 2.834 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.634 -10.631 2.501 1.00 1.00 H new ATOM 67 N PHE A 31 -6.723 -5.742 1.687 1.00 1.00 N ATOM 68 CA PHE A 31 -6.423 -4.337 1.902 1.00 1.00 C ATOM 69 C PHE A 31 -7.476 -3.682 2.798 1.00 1.00 C ATOM 70 O PHE A 31 -7.206 -2.671 3.444 1.00 1.00 O ATOM 71 CB PHE A 31 -6.444 -3.660 0.530 1.00 1.00 C ATOM 72 CG PHE A 31 -6.380 -2.132 0.590 1.00 1.00 C ATOM 73 CD1 PHE A 31 -7.443 -1.425 1.059 1.00 1.00 C ATOM 74 CD2 PHE A 31 -5.261 -1.482 0.173 1.00 1.00 C ATOM 75 CE1 PHE A 31 -7.384 -0.007 1.114 1.00 1.00 C ATOM 76 CE2 PHE A 31 -5.202 -0.064 0.227 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.264 0.643 0.697 1.00 1.00 C ATOM 0 H PHE A 31 -7.028 -5.973 0.742 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.454 -4.234 2.391 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.602 -4.026 -0.058 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.352 -3.955 0.004 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -8.332 -1.942 1.390 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -4.417 -2.044 -0.199 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -8.228 0.555 1.487 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -4.314 0.453 -0.105 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.218 1.721 0.739 1.00 1.00 H new ATOM 87 N ALA A 32 -8.656 -4.286 2.808 1.00 1.00 N ATOM 88 CA ALA A 32 -9.752 -3.774 3.613 1.00 1.00 C ATOM 89 C ALA A 32 -9.750 -4.475 4.973 1.00 1.00 C ATOM 90 O ALA A 32 -10.797 -4.898 5.460 1.00 1.00 O ATOM 91 CB ALA A 32 -11.071 -3.964 2.862 1.00 1.00 C ATOM 0 H ALA A 32 -8.877 -5.125 2.271 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.630 -2.706 3.791 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.893 -3.580 3.467 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -11.032 -3.423 1.916 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.229 -5.025 2.667 1.00 1.00 H new ATOM 97 N THR A 33 -8.560 -4.576 5.549 1.00 1.00 N ATOM 98 CA THR A 33 -8.408 -5.218 6.844 1.00 1.00 C ATOM 99 C THR A 33 -6.989 -5.013 7.377 1.00 1.00 C ATOM 100 O THR A 33 -6.797 -4.794 8.572 1.00 1.00 O ATOM 101 CB THR A 33 -8.792 -6.691 6.689 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.201 -6.707 6.898 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.238 -7.562 7.818 1.00 1.00 C ATOM 0 H THR A 33 -7.693 -4.224 5.143 1.00 1.00 H new ATOM 0 HA THR A 33 -9.068 -4.771 7.587 1.00 1.00 H new ATOM 0 HB THR A 33 -8.427 -7.062 5.731 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.573 -5.826 6.685 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.539 -8.598 7.660 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.150 -7.498 7.826 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.629 -7.212 8.773 1.00 1.00 H new ATOM 111 N HIS A 34 -6.031 -5.091 6.465 1.00 1.00 N ATOM 112 CA HIS A 34 -4.635 -4.917 6.829 1.00 1.00 C ATOM 113 C HIS A 34 -4.171 -3.516 6.425 1.00 1.00 C ATOM 114 O HIS A 34 -3.049 -3.117 6.734 1.00 1.00 O ATOM 115 CB HIS A 34 -3.773 -6.025 6.222 1.00 1.00 C ATOM 116 CG HIS A 34 -4.259 -7.421 6.532 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.986 -8.298 5.783 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -4.005 -8.053 7.737 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -5.166 -9.406 6.490 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.559 -9.256 7.703 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.194 -5.272 5.475 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.524 -5.002 7.910 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.741 -5.895 5.140 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.752 -5.918 6.587 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.333 -8.131 4.839 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.450 -7.636 8.564 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.704 -10.282 6.160 1.00 1.00 H new ATOM 128 N CYS A 35 -5.057 -2.808 5.741 1.00 1.00 N ATOM 129 CA CYS A 35 -4.753 -1.460 5.291 1.00 1.00 C ATOM 130 C CYS A 35 -5.926 -0.553 5.664 1.00 1.00 C ATOM 131 O CYS A 35 -5.728 0.533 6.207 1.00 1.00 O ATOM 132 CB CYS A 35 -4.453 -1.418 3.791 1.00 1.00 C ATOM 133 SG CYS A 35 -3.490 -2.841 3.161 1.00 1.00 S ATOM 0 H CYS A 35 -5.987 -3.143 5.487 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.849 -1.104 5.785 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.396 -1.366 3.247 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.907 -0.501 3.569 1.00 1.00 H new ATOM 138 N ALA A 36 -7.123 -1.031 5.358 1.00 1.00 N ATOM 139 CA ALA A 36 -8.329 -0.276 5.655 1.00 1.00 C ATOM 140 C ALA A 36 -8.163 0.435 6.999 1.00 1.00 C ATOM 141 O ALA A 36 -8.662 1.544 7.185 1.00 1.00 O ATOM 142 CB ALA A 36 -9.537 -1.215 5.637 1.00 1.00 C ATOM 0 H ALA A 36 -7.284 -1.932 4.907 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.499 0.489 4.897 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.441 -0.649 5.860 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.628 -1.672 4.651 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.403 -1.995 6.387 1.00 1.00 H new ATOM 148 N GLY A 37 -7.460 -0.233 7.903 1.00 1.00 N ATOM 149 CA GLY A 37 -7.222 0.321 9.225 1.00 1.00 C ATOM 150 C GLY A 37 -6.047 1.300 9.205 1.00 1.00 C ATOM 151 O GLY A 37 -5.167 1.237 10.063 1.00 1.00 O ATOM 0 H GLY A 37 -7.048 -1.153 7.745 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.119 0.831 9.577 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -7.017 -0.485 9.930 1.00 1.00 H new ATOM 155 N CYS A 38 -6.069 2.183 8.218 1.00 1.00 N ATOM 156 CA CYS A 38 -5.016 3.174 8.075 1.00 1.00 C ATOM 157 C CYS A 38 -5.170 3.845 6.709 1.00 1.00 C ATOM 158 O CYS A 38 -4.846 5.021 6.552 1.00 1.00 O ATOM 159 CB CYS A 38 -3.629 2.555 8.255 1.00 1.00 C ATOM 160 SG CYS A 38 -2.912 3.077 9.855 1.00 1.00 S ATOM 0 H CYS A 38 -6.800 2.233 7.509 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.110 3.925 8.859 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.699 1.468 8.216 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -2.976 2.862 7.438 1.00 1.00 H new ATOM 165 N HIS A 39 -5.663 3.068 5.756 1.00 1.00 N ATOM 166 CA HIS A 39 -5.863 3.573 4.408 1.00 1.00 C ATOM 167 C HIS A 39 -7.353 3.537 4.063 1.00 1.00 C ATOM 168 O HIS A 39 -7.791 2.868 3.130 1.00 1.00 O ATOM 169 CB HIS A 39 -5.003 2.800 3.405 1.00 1.00 C ATOM 170 CG HIS A 39 -3.532 3.133 3.473 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.031 4.384 3.159 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.460 2.366 3.823 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.716 4.359 3.315 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.364 3.107 3.727 1.00 1.00 N ATOM 0 H HIS A 39 -5.930 2.093 5.890 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.537 4.612 4.353 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.132 1.732 3.579 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.365 3.005 2.398 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.581 5.189 2.858 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.497 1.330 4.127 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.041 5.185 3.146 1.00 1.00 H new ATOM 182 N PRO A 40 -8.132 4.284 4.849 1.00 1.00 N ATOM 183 CA PRO A 40 -9.567 4.399 4.702 1.00 1.00 C ATOM 184 C PRO A 40 -9.889 5.251 3.483 1.00 1.00 C ATOM 185 O PRO A 40 -9.662 6.459 3.526 1.00 1.00 O ATOM 186 CB PRO A 40 -10.038 5.079 5.986 1.00 1.00 C ATOM 187 CG PRO A 40 -8.797 6.038 6.280 1.00 1.00 C ATOM 188 CD PRO A 40 -7.651 5.083 5.955 1.00 1.00 C ATOM 0 HA PRO A 40 -10.057 3.437 4.555 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -10.966 5.633 5.845 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.212 4.367 6.793 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.795 6.925 5.646 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.772 6.385 7.313 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.747 5.629 5.684 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.401 4.459 6.813 1.00 1.00 H new ATOM 196 N GLN A 41 -10.401 4.621 2.436 1.00 1.00 N ATOM 197 CA GLN A 41 -10.743 5.342 1.222 1.00 1.00 C ATOM 198 C GLN A 41 -9.502 6.027 0.645 1.00 1.00 C ATOM 199 O GLN A 41 -9.454 7.253 0.549 1.00 1.00 O ATOM 200 CB GLN A 41 -11.858 6.356 1.481 1.00 1.00 C ATOM 201 CG GLN A 41 -13.235 5.697 1.371 1.00 1.00 C ATOM 202 CD GLN A 41 -13.658 5.552 -0.092 1.00 1.00 C ATOM 203 OE1 GLN A 41 -13.281 4.621 -0.785 1.00 1.00 O ATOM 204 NE2 GLN A 41 -14.460 6.522 -0.522 1.00 1.00 N ATOM 0 H GLN A 41 -10.587 3.619 2.403 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.113 4.625 0.489 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -11.737 6.790 2.474 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.784 7.174 0.765 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.212 4.716 1.845 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.972 6.294 1.909 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -14.738 7.272 0.111 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -14.798 6.516 -1.484 1.00 1.00 H new ATOM 213 N GLY A 42 -8.529 5.207 0.276 1.00 1.00 N ATOM 214 CA GLY A 42 -7.292 5.719 -0.288 1.00 1.00 C ATOM 215 C GLY A 42 -6.824 6.968 0.460 1.00 1.00 C ATOM 216 O GLY A 42 -6.157 7.827 -0.115 1.00 1.00 O ATOM 0 H GLY A 42 -8.572 4.191 0.357 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.520 4.951 -0.239 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.439 5.956 -1.342 1.00 1.00 H new ATOM 220 N GLY A 43 -7.191 7.030 1.732 1.00 1.00 N ATOM 221 CA GLY A 43 -6.817 8.160 2.565 1.00 1.00 C ATOM 222 C GLY A 43 -5.682 7.785 3.520 1.00 1.00 C ATOM 223 O GLY A 43 -4.918 6.860 3.250 1.00 1.00 O ATOM 0 H GLY A 43 -7.744 6.316 2.206 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.507 8.994 1.935 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.682 8.497 3.137 1.00 1.00 H new ATOM 227 N ASN A 44 -5.607 8.523 4.618 1.00 1.00 N ATOM 228 CA ASN A 44 -4.579 8.279 5.615 1.00 1.00 C ATOM 229 C ASN A 44 -5.074 8.760 6.981 1.00 1.00 C ATOM 230 O ASN A 44 -5.761 9.776 7.073 1.00 1.00 O ATOM 231 CB ASN A 44 -3.296 9.043 5.281 1.00 1.00 C ATOM 232 CG ASN A 44 -2.697 8.557 3.960 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.275 8.700 2.896 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.507 7.976 4.087 1.00 1.00 N ATOM 0 H ASN A 44 -6.242 9.290 4.839 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.369 7.209 5.628 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.510 10.110 5.217 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.571 8.911 6.084 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.024 7.618 3.263 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.078 7.888 5.008 1.00 1.00 H new ATOM 241 N THR A 45 -4.705 8.008 8.007 1.00 1.00 N ATOM 242 CA THR A 45 -5.103 8.345 9.363 1.00 1.00 C ATOM 243 C THR A 45 -3.892 8.813 10.173 1.00 1.00 C ATOM 244 O THR A 45 -4.032 9.221 11.325 1.00 1.00 O ATOM 245 CB THR A 45 -5.804 7.127 9.967 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.099 6.015 9.420 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.232 6.955 9.446 1.00 1.00 C ATOM 0 H THR A 45 -4.135 7.166 7.927 1.00 1.00 H new ATOM 0 HA THR A 45 -5.804 9.179 9.374 1.00 1.00 H new ATOM 0 HB THR A 45 -5.823 7.220 11.053 1.00 1.00 H new ATOM 0 HG1 THR A 45 -4.697 5.493 10.146 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.684 6.076 9.906 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.819 7.838 9.696 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.212 6.828 8.364 1.00 1.00 H new ATOM 255 N VAL A 46 -2.732 8.740 9.539 1.00 1.00 N ATOM 256 CA VAL A 46 -1.497 9.151 10.186 1.00 1.00 C ATOM 257 C VAL A 46 -0.944 10.389 9.479 1.00 1.00 C ATOM 258 O VAL A 46 -0.742 11.429 10.106 1.00 1.00 O ATOM 259 CB VAL A 46 -0.507 7.985 10.213 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.827 8.413 10.829 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.094 6.784 10.957 1.00 1.00 C ATOM 0 H VAL A 46 -2.620 8.402 8.583 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.683 9.426 11.224 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.319 7.681 9.183 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.513 7.566 10.836 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.257 9.223 10.239 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.663 8.756 11.851 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.370 5.969 10.961 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.325 7.069 11.983 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.006 6.456 10.457 1.00 1.00 H new ATOM 271 N HIS A 47 -0.713 10.238 8.183 1.00 1.00 N ATOM 272 CA HIS A 47 -0.187 11.331 7.384 1.00 1.00 C ATOM 273 C HIS A 47 -1.214 11.733 6.324 1.00 1.00 C ATOM 274 O HIS A 47 -1.512 10.993 5.390 1.00 1.00 O ATOM 275 CB HIS A 47 1.171 10.960 6.783 1.00 1.00 C ATOM 276 CG HIS A 47 2.281 10.845 7.800 1.00 1.00 C ATOM 277 ND1 HIS A 47 3.584 10.531 7.454 1.00 1.00 N ATOM 278 CD2 HIS A 47 2.270 11.005 9.154 1.00 1.00 C ATOM 279 CE1 HIS A 47 4.315 10.506 8.559 1.00 1.00 C ATOM 280 NE2 HIS A 47 3.499 10.799 9.612 1.00 1.00 N ATOM 0 H HIS A 47 -0.881 9.375 7.666 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.013 12.200 8.019 1.00 1.00 H new ATOM 0 HB2 HIS A 47 1.076 10.011 6.255 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.447 11.711 6.043 1.00 1.00 H new ATOM 0 HD2 HIS A 47 1.407 11.257 9.753 1.00 1.00 H new ATOM 0 HE1 HIS A 47 5.372 10.291 8.616 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.786 10.851 10.590 1.00 1.00 H new ATOM 288 N PRO A 48 -1.756 12.941 6.493 1.00 1.00 N ATOM 289 CA PRO A 48 -2.745 13.523 5.612 1.00 1.00 C ATOM 290 C PRO A 48 -2.049 14.222 4.453 1.00 1.00 C ATOM 291 O PRO A 48 -2.687 15.025 3.774 1.00 1.00 O ATOM 292 CB PRO A 48 -3.503 14.525 6.480 1.00 1.00 C ATOM 293 CG PRO A 48 -2.384 15.019 7.419 1.00 1.00 C ATOM 294 CD PRO A 48 -1.429 13.838 7.581 1.00 1.00 C ATOM 0 HA PRO A 48 -3.416 12.781 5.179 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -3.933 15.335 5.892 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.322 14.058 7.027 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -1.871 15.882 6.996 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.790 15.330 8.382 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.389 14.161 7.528 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.563 13.352 8.547 1.00 1.00 H new ATOM 302 N GLU A 49 -0.776 13.913 4.252 1.00 1.00 N ATOM 303 CA GLU A 49 -0.019 14.526 3.174 1.00 1.00 C ATOM 304 C GLU A 49 0.529 13.451 2.233 1.00 1.00 C ATOM 305 O GLU A 49 1.138 13.767 1.212 1.00 1.00 O ATOM 306 CB GLU A 49 1.110 15.400 3.724 1.00 1.00 C ATOM 307 CG GLU A 49 0.607 16.293 4.861 1.00 1.00 C ATOM 308 CD GLU A 49 0.386 17.727 4.375 1.00 1.00 C ATOM 309 OE1 GLU A 49 0.096 17.942 3.189 1.00 1.00 O ATOM 310 OE2 GLU A 49 0.525 18.636 5.279 1.00 1.00 O ATOM 0 H GLU A 49 -0.250 13.246 4.817 1.00 1.00 H new ATOM 0 HA GLU A 49 -0.690 15.171 2.607 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.921 14.768 4.085 1.00 1.00 H new ATOM 0 HB3 GLU A 49 1.519 16.018 2.925 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -0.326 15.892 5.258 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.329 16.289 5.678 1.00 1.00 H new ATOM 318 N LYS A 50 0.294 12.203 2.611 1.00 1.00 N ATOM 319 CA LYS A 50 0.756 11.080 1.813 1.00 1.00 C ATOM 320 C LYS A 50 -0.434 10.186 1.461 1.00 1.00 C ATOM 321 O LYS A 50 -0.692 9.194 2.141 1.00 1.00 O ATOM 322 CB LYS A 50 1.888 10.343 2.532 1.00 1.00 C ATOM 323 CG LYS A 50 2.878 11.331 3.153 1.00 1.00 C ATOM 324 CD LYS A 50 3.873 11.840 2.108 1.00 1.00 C ATOM 325 CE LYS A 50 4.043 13.357 2.207 1.00 1.00 C ATOM 326 NZ LYS A 50 5.366 13.694 2.777 1.00 1.00 N ATOM 0 H LYS A 50 -0.210 11.945 3.459 1.00 1.00 H new ATOM 0 HA LYS A 50 1.181 11.430 0.872 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.473 9.701 3.309 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.409 9.694 1.828 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.336 12.172 3.584 1.00 1.00 H new ATOM 0 HG3 LYS A 50 3.417 10.848 3.968 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.837 11.352 2.251 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.526 11.574 1.110 1.00 1.00 H new ATOM 0 HE2 LYS A 50 3.941 13.806 1.219 1.00 1.00 H new ATOM 0 HE3 LYS A 50 3.254 13.777 2.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 5.465 14.728 2.837 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 5.449 13.282 3.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 6.115 13.310 2.167 1.00 1.00 H new ATOM 339 N THR A 51 -1.128 10.569 0.399 1.00 1.00 N ATOM 340 CA THR A 51 -2.285 9.814 -0.051 1.00 1.00 C ATOM 341 C THR A 51 -1.882 8.823 -1.145 1.00 1.00 C ATOM 342 O THR A 51 -0.724 8.786 -1.559 1.00 1.00 O ATOM 343 CB THR A 51 -3.355 10.811 -0.498 1.00 1.00 C ATOM 344 OG1 THR A 51 -2.852 11.334 -1.725 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.439 12.032 0.420 1.00 1.00 C ATOM 0 H THR A 51 -0.911 11.392 -0.163 1.00 1.00 H new ATOM 0 HA THR A 51 -2.701 9.209 0.755 1.00 1.00 H new ATOM 0 HB THR A 51 -4.324 10.313 -0.529 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.486 11.989 -2.086 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.214 12.707 0.057 1.00 1.00 H new ATOM 0 HG22 THR A 51 -3.683 11.710 1.432 1.00 1.00 H new ATOM 0 HG23 THR A 51 -2.480 12.550 0.425 1.00 1.00 H new ATOM 353 N LEU A 52 -2.860 8.045 -1.584 1.00 1.00 N ATOM 354 CA LEU A 52 -2.622 7.056 -2.622 1.00 1.00 C ATOM 355 C LEU A 52 -2.864 7.694 -3.992 1.00 1.00 C ATOM 356 O LEU A 52 -3.005 6.991 -4.991 1.00 1.00 O ATOM 357 CB LEU A 52 -3.462 5.802 -2.370 1.00 1.00 C ATOM 358 CG LEU A 52 -3.136 5.021 -1.096 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.070 3.821 -0.934 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.663 4.609 -1.067 1.00 1.00 C ATOM 0 H LEU A 52 -3.820 8.079 -1.240 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.584 6.725 -2.603 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.512 6.093 -2.335 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.345 5.133 -3.223 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.304 5.677 -0.242 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.816 3.283 -0.020 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.102 4.168 -0.876 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.959 3.155 -1.790 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.458 4.055 -0.151 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.445 3.978 -1.929 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.035 5.500 -1.101 1.00 1.00 H new ATOM 372 N ALA A 53 -2.905 9.018 -3.994 1.00 1.00 N ATOM 373 CA ALA A 53 -3.127 9.758 -5.224 1.00 1.00 C ATOM 374 C ALA A 53 -1.836 9.776 -6.044 1.00 1.00 C ATOM 375 O ALA A 53 -0.773 10.117 -5.528 1.00 1.00 O ATOM 376 CB ALA A 53 -3.625 11.166 -4.891 1.00 1.00 C ATOM 0 H ALA A 53 -2.788 9.598 -3.163 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.895 9.275 -5.828 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.791 11.721 -5.814 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.560 11.099 -4.334 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.879 11.682 -4.287 1.00 1.00 H new ATOM 382 N ARG A 54 -1.970 9.403 -7.308 1.00 1.00 N ATOM 383 CA ARG A 54 -0.827 9.372 -8.205 1.00 1.00 C ATOM 384 C ARG A 54 -0.069 10.699 -8.145 1.00 1.00 C ATOM 385 O ARG A 54 1.155 10.714 -8.024 1.00 1.00 O ATOM 386 CB ARG A 54 -1.265 9.107 -9.647 1.00 1.00 C ATOM 387 CG ARG A 54 -0.056 8.859 -10.551 1.00 1.00 C ATOM 388 CD ARG A 54 -0.391 9.165 -12.012 1.00 1.00 C ATOM 389 NE ARG A 54 0.447 10.283 -12.500 1.00 1.00 N ATOM 390 CZ ARG A 54 0.656 10.558 -13.805 1.00 1.00 C ATOM 391 NH1 ARG A 54 1.424 11.581 -14.129 1.00 1.00 N ATOM 392 NH2 ARG A 54 0.088 9.797 -14.765 1.00 1.00 N ATOM 0 H ARG A 54 -2.853 9.120 -7.733 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.174 8.562 -7.881 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.929 8.243 -9.676 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.834 9.959 -10.020 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.778 9.482 -10.227 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.266 7.822 -10.458 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.224 8.280 -12.625 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -1.446 9.423 -12.106 1.00 1.00 H new ATOM 0 HE ARG A 54 0.894 10.883 -11.807 1.00 1.00 H new ATOM 0 HH11 ARG A 54 1.850 12.151 -13.398 1.00 1.00 H new ATOM 0 HH12 ARG A 54 1.592 11.802 -15.111 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -0.504 9.008 -14.506 1.00 1.00 H new ATOM 0 HH22 ARG A 54 0.251 10.012 -15.749 1.00 1.00 H new ATOM 402 N ALA A 55 -0.828 11.782 -8.233 1.00 1.00 N ATOM 403 CA ALA A 55 -0.243 13.111 -8.191 1.00 1.00 C ATOM 404 C ALA A 55 0.853 13.148 -7.124 1.00 1.00 C ATOM 405 O ALA A 55 1.909 13.743 -7.333 1.00 1.00 O ATOM 406 CB ALA A 55 -1.342 14.145 -7.934 1.00 1.00 C ATOM 0 H ALA A 55 -1.843 11.766 -8.333 1.00 1.00 H new ATOM 0 HA ALA A 55 0.219 13.357 -9.147 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.903 15.142 -7.902 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -2.080 14.098 -8.735 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.827 13.932 -6.981 1.00 1.00 H new ATOM 412 N ARG A 56 0.563 12.504 -6.002 1.00 1.00 N ATOM 413 CA ARG A 56 1.511 12.456 -4.902 1.00 1.00 C ATOM 414 C ARG A 56 2.455 11.263 -5.066 1.00 1.00 C ATOM 415 O ARG A 56 3.667 11.399 -4.907 1.00 1.00 O ATOM 416 CB ARG A 56 0.789 12.344 -3.557 1.00 1.00 C ATOM 417 CG ARG A 56 0.292 13.713 -3.087 1.00 1.00 C ATOM 418 CD ARG A 56 1.412 14.497 -2.401 1.00 1.00 C ATOM 419 NE ARG A 56 0.908 15.815 -1.956 1.00 1.00 N ATOM 420 CZ ARG A 56 0.013 15.986 -0.960 1.00 1.00 C ATOM 421 NH1 ARG A 56 -0.368 17.210 -0.645 1.00 1.00 N ATOM 422 NH2 ARG A 56 -0.484 14.922 -0.295 1.00 1.00 N ATOM 0 H ARG A 56 -0.314 12.012 -5.832 1.00 1.00 H new ATOM 0 HA ARG A 56 2.084 13.383 -4.918 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.054 11.659 -3.648 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.464 11.922 -2.812 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -0.084 14.279 -3.939 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -0.542 13.584 -2.397 1.00 1.00 H new ATOM 0 HD2 ARG A 56 1.790 13.935 -1.546 1.00 1.00 H new ATOM 0 HD3 ARG A 56 2.247 14.631 -3.089 1.00 1.00 H new ATOM 0 HE ARG A 56 1.259 16.646 -2.432 1.00 1.00 H new ATOM 0 HH11 ARG A 56 0.013 18.009 -1.152 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -1.044 17.357 0.105 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -0.184 13.979 -0.544 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -1.160 15.060 0.456 1.00 1.00 H new ATOM 432 N ARG A 57 1.863 10.120 -5.383 1.00 1.00 N ATOM 433 CA ARG A 57 2.636 8.904 -5.570 1.00 1.00 C ATOM 434 C ARG A 57 3.697 9.111 -6.654 1.00 1.00 C ATOM 435 O ARG A 57 4.654 8.345 -6.745 1.00 1.00 O ATOM 436 CB ARG A 57 1.734 7.734 -5.966 1.00 1.00 C ATOM 437 CG ARG A 57 1.697 6.673 -4.865 1.00 1.00 C ATOM 438 CD ARG A 57 0.309 6.594 -4.226 1.00 1.00 C ATOM 439 NE ARG A 57 -0.677 6.107 -5.215 1.00 1.00 N ATOM 440 CZ ARG A 57 -0.750 4.829 -5.645 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.671 4.504 -6.532 1.00 1.00 N ATOM 442 NH2 ARG A 57 0.106 3.898 -5.173 1.00 1.00 N ATOM 0 H ARG A 57 0.857 10.011 -5.515 1.00 1.00 H new ATOM 0 HA ARG A 57 3.121 8.670 -4.622 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.725 8.098 -6.160 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.096 7.289 -6.893 1.00 1.00 H new ATOM 0 HG2 ARG A 57 1.965 5.702 -5.282 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.439 6.909 -4.103 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.333 5.926 -3.365 1.00 1.00 H new ATOM 0 HD3 ARG A 57 0.013 7.576 -3.858 1.00 1.00 H new ATOM 0 HE ARG A 57 -1.344 6.778 -5.596 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -2.314 5.214 -6.883 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -1.740 3.543 -6.867 1.00 1.00 H new ATOM 0 HH21 ARG A 57 0.814 4.158 -4.487 1.00 1.00 H new ATOM 0 HH22 ARG A 57 0.044 2.935 -5.503 1.00 1.00 H new ATOM 452 N GLU A 58 3.490 10.151 -7.449 1.00 1.00 N ATOM 453 CA GLU A 58 4.416 10.469 -8.522 1.00 1.00 C ATOM 454 C GLU A 58 5.654 11.174 -7.964 1.00 1.00 C ATOM 455 O GLU A 58 6.781 10.821 -8.308 1.00 1.00 O ATOM 456 CB GLU A 58 3.738 11.321 -9.597 1.00 1.00 C ATOM 457 CG GLU A 58 4.062 12.804 -9.407 1.00 1.00 C ATOM 458 CD GLU A 58 3.414 13.651 -10.503 1.00 1.00 C ATOM 459 OE1 GLU A 58 4.114 14.153 -11.395 1.00 1.00 O ATOM 460 OE2 GLU A 58 2.134 13.780 -10.408 1.00 1.00 O ATOM 0 H GLU A 58 2.694 10.784 -7.371 1.00 1.00 H new ATOM 0 HA GLU A 58 4.733 9.537 -8.990 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.067 10.997 -10.584 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.659 11.173 -9.556 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.709 13.135 -8.430 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.142 12.949 -9.421 1.00 1.00 H new ATOM 468 N ALA A 59 5.402 12.157 -7.113 1.00 1.00 N ATOM 469 CA ALA A 59 6.482 12.915 -6.504 1.00 1.00 C ATOM 470 C ALA A 59 7.503 11.946 -5.903 1.00 1.00 C ATOM 471 O ALA A 59 8.693 12.026 -6.207 1.00 1.00 O ATOM 472 CB ALA A 59 5.907 13.876 -5.461 1.00 1.00 C ATOM 0 H ALA A 59 4.466 12.446 -6.830 1.00 1.00 H new ATOM 0 HA ALA A 59 6.998 13.517 -7.252 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.717 14.444 -5.004 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.210 14.561 -5.943 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.384 13.308 -4.692 1.00 1.00 H new ATOM 478 N ASN A 60 7.002 11.054 -5.062 1.00 1.00 N ATOM 479 CA ASN A 60 7.855 10.071 -4.416 1.00 1.00 C ATOM 480 C ASN A 60 8.169 8.947 -5.405 1.00 1.00 C ATOM 481 O ASN A 60 9.253 8.367 -5.368 1.00 1.00 O ATOM 482 CB ASN A 60 7.161 9.453 -3.201 1.00 1.00 C ATOM 483 CG ASN A 60 7.188 10.411 -2.008 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.868 11.665 -2.313 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.481 10.036 -0.884 1.00 1.00 N flip ATOM 0 H ASN A 60 6.015 10.991 -4.813 1.00 1.00 H new ATOM 0 HA ASN A 60 8.766 10.575 -4.092 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.129 9.209 -3.452 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.654 8.518 -2.933 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.717 9.058 -0.718 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.490 10.701 -0.111 1.00 1.00 H new ATOM 492 N GLY A 61 7.200 8.671 -6.265 1.00 1.00 N ATOM 493 CA GLY A 61 7.359 7.626 -7.262 1.00 1.00 C ATOM 494 C GLY A 61 6.923 6.268 -6.707 1.00 1.00 C ATOM 495 O GLY A 61 7.758 5.471 -6.280 1.00 1.00 O ATOM 0 H GLY A 61 6.301 9.153 -6.292 1.00 1.00 H new ATOM 0 HA2 GLY A 61 6.768 7.868 -8.146 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.401 7.576 -7.579 1.00 1.00 H new ATOM 499 N ILE A 62 5.617 6.046 -6.731 1.00 1.00 N ATOM 500 CA ILE A 62 5.061 4.799 -6.235 1.00 1.00 C ATOM 501 C ILE A 62 3.894 4.375 -7.129 1.00 1.00 C ATOM 502 O ILE A 62 2.776 4.192 -6.651 1.00 1.00 O ATOM 503 CB ILE A 62 4.688 4.928 -4.757 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.858 5.485 -3.943 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.185 3.595 -4.200 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.683 5.181 -2.454 1.00 1.00 C ATOM 0 H ILE A 62 4.928 6.709 -7.086 1.00 1.00 H new ATOM 0 HA ILE A 62 5.806 4.004 -6.283 1.00 1.00 H new ATOM 0 HB ILE A 62 3.868 5.642 -4.672 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.793 5.051 -4.299 1.00 1.00 H new ATOM 0 HG13 ILE A 62 5.929 6.562 -4.092 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.927 3.715 -3.148 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.303 3.278 -4.756 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.966 2.841 -4.298 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.528 5.587 -1.898 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.760 5.636 -2.096 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.637 4.102 -2.306 1.00 1.00 H new ATOM 518 N ARG A 63 4.194 4.231 -8.412 1.00 1.00 N ATOM 519 CA ARG A 63 3.184 3.833 -9.377 1.00 1.00 C ATOM 520 C ARG A 63 3.554 2.489 -10.008 1.00 1.00 C ATOM 521 O ARG A 63 3.711 2.392 -11.224 1.00 1.00 O ATOM 522 CB ARG A 63 3.032 4.882 -10.480 1.00 1.00 C ATOM 523 CG ARG A 63 3.180 6.296 -9.916 1.00 1.00 C ATOM 524 CD ARG A 63 4.414 6.991 -10.494 1.00 1.00 C ATOM 525 NE ARG A 63 5.626 6.563 -9.761 1.00 1.00 N ATOM 526 CZ ARG A 63 6.873 6.597 -10.276 1.00 1.00 C ATOM 527 NH1 ARG A 63 7.884 6.190 -9.532 1.00 1.00 N ATOM 528 NH2 ARG A 63 7.083 7.040 -11.534 1.00 1.00 N ATOM 0 H ARG A 63 5.123 4.383 -8.805 1.00 1.00 H new ATOM 0 HA ARG A 63 2.236 3.741 -8.846 1.00 1.00 H new ATOM 0 HB2 ARG A 63 3.783 4.714 -11.252 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.057 4.776 -10.955 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.288 6.879 -10.147 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.259 6.252 -8.830 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.515 6.750 -11.552 1.00 1.00 H new ATOM 0 HD3 ARG A 63 4.299 8.073 -10.423 1.00 1.00 H new ATOM 0 HE ARG A 63 5.512 6.221 -8.807 1.00 1.00 H new ATOM 0 HH11 ARG A 63 7.717 5.856 -8.583 1.00 1.00 H new ATOM 0 HH12 ARG A 63 8.833 6.209 -9.906 1.00 1.00 H new ATOM 0 HH21 ARG A 63 6.296 7.352 -12.103 1.00 1.00 H new ATOM 0 HH22 ARG A 63 8.029 7.062 -11.916 1.00 1.00 H new ATOM 538 N THR A 64 3.682 1.485 -9.153 1.00 1.00 N ATOM 539 CA THR A 64 4.031 0.151 -9.611 1.00 1.00 C ATOM 540 C THR A 64 3.502 -0.903 -8.637 1.00 1.00 C ATOM 541 O THR A 64 3.362 -0.637 -7.444 1.00 1.00 O ATOM 542 CB THR A 64 5.548 0.097 -9.800 1.00 1.00 C ATOM 543 OG1 THR A 64 6.068 0.608 -8.575 1.00 1.00 O ATOM 544 CG2 THR A 64 6.043 1.087 -10.856 1.00 1.00 C ATOM 0 H THR A 64 3.550 1.569 -8.145 1.00 1.00 H new ATOM 0 HA THR A 64 3.562 -0.073 -10.569 1.00 1.00 H new ATOM 0 HB THR A 64 5.842 -0.913 -10.084 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.607 1.406 -8.756 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.126 1.007 -10.950 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.578 0.859 -11.815 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.779 2.101 -10.556 1.00 1.00 H new ATOM 552 N VAL A 65 3.221 -2.078 -9.182 1.00 1.00 N ATOM 553 CA VAL A 65 2.710 -3.173 -8.375 1.00 1.00 C ATOM 554 C VAL A 65 3.791 -3.624 -7.391 1.00 1.00 C ATOM 555 O VAL A 65 3.539 -3.727 -6.191 1.00 1.00 O ATOM 556 CB VAL A 65 2.218 -4.304 -9.281 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.965 -5.581 -8.476 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.964 -3.884 -10.050 1.00 1.00 C ATOM 0 H VAL A 65 3.337 -2.295 -10.172 1.00 1.00 H new ATOM 0 HA VAL A 65 1.852 -2.847 -7.788 1.00 1.00 H new ATOM 0 HB VAL A 65 3.002 -4.516 -10.008 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.616 -6.369 -9.144 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.890 -5.897 -7.994 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.208 -5.388 -7.716 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.635 -4.706 -10.686 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.172 -3.632 -9.345 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.190 -3.015 -10.668 1.00 1.00 H new ATOM 568 N ARG A 66 4.972 -3.879 -7.934 1.00 1.00 N ATOM 569 CA ARG A 66 6.092 -4.316 -7.118 1.00 1.00 C ATOM 570 C ARG A 66 6.224 -3.429 -5.878 1.00 1.00 C ATOM 571 O ARG A 66 6.035 -3.894 -4.755 1.00 1.00 O ATOM 572 CB ARG A 66 7.401 -4.271 -7.910 1.00 1.00 C ATOM 573 CG ARG A 66 7.391 -5.298 -9.044 1.00 1.00 C ATOM 574 CD ARG A 66 8.563 -6.273 -8.911 1.00 1.00 C ATOM 575 NE ARG A 66 9.031 -6.688 -10.252 1.00 1.00 N ATOM 576 CZ ARG A 66 9.849 -5.949 -11.031 1.00 1.00 C ATOM 577 NH1 ARG A 66 10.203 -6.417 -12.213 1.00 1.00 N ATOM 578 NH2 ARG A 66 10.298 -4.748 -10.607 1.00 1.00 N ATOM 0 H ARG A 66 5.178 -3.791 -8.929 1.00 1.00 H new ATOM 0 HA ARG A 66 5.899 -5.345 -6.814 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.548 -3.272 -8.321 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.241 -4.468 -7.243 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.451 -5.850 -9.031 1.00 1.00 H new ATOM 0 HG3 ARG A 66 7.447 -4.785 -10.004 1.00 1.00 H new ATOM 0 HD2 ARG A 66 9.378 -5.802 -8.362 1.00 1.00 H new ATOM 0 HD3 ARG A 66 8.256 -7.147 -8.337 1.00 1.00 H new ATOM 0 HE ARG A 66 8.716 -7.589 -10.610 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.859 -7.325 -12.526 1.00 1.00 H new ATOM 0 HH12 ARG A 66 10.820 -5.871 -12.814 1.00 1.00 H new ATOM 0 HH21 ARG A 66 10.019 -4.393 -9.692 1.00 1.00 H new ATOM 0 HH22 ARG A 66 10.916 -4.196 -11.202 1.00 1.00 H new ATOM 588 N ASP A 67 6.546 -2.168 -6.124 1.00 1.00 N ATOM 589 CA ASP A 67 6.704 -1.212 -5.041 1.00 1.00 C ATOM 590 C ASP A 67 5.669 -1.504 -3.953 1.00 1.00 C ATOM 591 O ASP A 67 5.974 -1.424 -2.764 1.00 1.00 O ATOM 592 CB ASP A 67 6.482 0.220 -5.533 1.00 1.00 C ATOM 593 CG ASP A 67 7.685 0.858 -6.231 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.672 0.179 -6.550 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.580 2.126 -6.448 1.00 1.00 O ATOM 0 H ASP A 67 6.702 -1.786 -7.057 1.00 1.00 H new ATOM 0 HA ASP A 67 7.718 -1.307 -4.653 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.637 0.225 -6.222 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.203 0.841 -4.682 1.00 1.00 H new ATOM 601 N VAL A 68 4.467 -1.836 -4.399 1.00 1.00 N ATOM 602 CA VAL A 68 3.385 -2.141 -3.477 1.00 1.00 C ATOM 603 C VAL A 68 3.440 -3.624 -3.106 1.00 1.00 C ATOM 604 O VAL A 68 2.436 -4.329 -3.202 1.00 1.00 O ATOM 605 CB VAL A 68 2.045 -1.726 -4.089 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.891 -2.017 -3.128 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.061 -0.252 -4.497 1.00 1.00 C ATOM 0 H VAL A 68 4.218 -1.901 -5.386 1.00 1.00 H new ATOM 0 HA VAL A 68 3.496 -1.571 -2.554 1.00 1.00 H new ATOM 0 HB VAL A 68 1.889 -2.320 -4.990 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.050 -1.713 -3.587 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.860 -3.084 -2.909 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.040 -1.461 -2.202 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.097 0.016 -4.929 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.250 0.366 -3.620 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.847 -0.087 -5.234 1.00 1.00 H new ATOM 617 N ALA A 69 4.622 -4.053 -2.689 1.00 1.00 N ATOM 618 CA ALA A 69 4.820 -5.440 -2.302 1.00 1.00 C ATOM 619 C ALA A 69 6.140 -5.568 -1.540 1.00 1.00 C ATOM 620 O ALA A 69 6.211 -6.263 -0.527 1.00 1.00 O ATOM 621 CB ALA A 69 4.777 -6.328 -3.547 1.00 1.00 C ATOM 0 H ALA A 69 5.452 -3.465 -2.611 1.00 1.00 H new ATOM 0 HA ALA A 69 4.022 -5.771 -1.637 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.925 -7.368 -3.257 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.809 -6.222 -4.036 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.566 -6.027 -4.236 1.00 1.00 H new ATOM 627 N ALA A 70 7.153 -4.887 -2.055 1.00 1.00 N ATOM 628 CA ALA A 70 8.467 -4.916 -1.436 1.00 1.00 C ATOM 629 C ALA A 70 8.455 -4.037 -0.184 1.00 1.00 C ATOM 630 O ALA A 70 8.610 -4.502 0.943 1.00 1.00 O ATOM 631 CB ALA A 70 9.521 -4.471 -2.451 1.00 1.00 C ATOM 0 H ALA A 70 7.090 -4.311 -2.895 1.00 1.00 H new ATOM 0 HA ALA A 70 8.722 -5.929 -1.126 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.506 -4.493 -1.986 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.509 -5.145 -3.307 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.300 -3.457 -2.784 1.00 1.00 H new ATOM 637 N TYR A 71 8.265 -2.735 -0.411 1.00 1.00 N ATOM 638 CA TYR A 71 8.230 -1.770 0.669 1.00 1.00 C ATOM 639 C TYR A 71 7.375 -2.302 1.810 1.00 1.00 C ATOM 640 O TYR A 71 7.869 -2.388 2.934 1.00 1.00 O ATOM 641 CB TYR A 71 7.674 -0.447 0.149 1.00 1.00 C ATOM 642 CG TYR A 71 8.732 0.611 -0.058 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.618 1.850 0.584 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.826 0.353 -0.893 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.599 2.830 0.392 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.807 1.334 -1.085 1.00 1.00 C ATOM 647 CZ TYR A 71 10.693 2.572 -0.442 1.00 1.00 C ATOM 648 OH TYR A 71 11.648 3.528 -0.629 1.00 1.00 O ATOM 0 H TYR A 71 8.134 -2.333 -1.339 1.00 1.00 H new ATOM 0 HA TYR A 71 9.239 -1.603 1.045 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.159 -0.624 -0.795 1.00 1.00 H new ATOM 0 HB3 TYR A 71 6.930 -0.073 0.852 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.774 2.050 1.227 1.00 1.00 H new ATOM 0 HD2 TYR A 71 9.913 -0.602 -1.389 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.512 3.786 0.888 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.651 1.135 -1.729 1.00 1.00 H new ATOM 0 HH TYR A 71 12.338 3.187 -1.235 1.00 1.00 H new ATOM 658 N ILE A 72 6.131 -2.645 1.509 1.00 1.00 N ATOM 659 CA ILE A 72 5.231 -3.164 2.525 1.00 1.00 C ATOM 660 C ILE A 72 5.999 -4.122 3.438 1.00 1.00 C ATOM 661 O ILE A 72 5.755 -4.167 4.643 1.00 1.00 O ATOM 662 CB ILE A 72 3.995 -3.791 1.876 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.389 -4.930 0.934 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.149 -2.730 1.171 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.301 -6.005 0.888 1.00 1.00 C ATOM 0 H ILE A 72 5.725 -2.574 0.576 1.00 1.00 H new ATOM 0 HA ILE A 72 4.857 -2.355 3.153 1.00 1.00 H new ATOM 0 HB ILE A 72 3.378 -4.224 2.663 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.558 -4.536 -0.068 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.328 -5.372 1.265 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.277 -3.202 0.718 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.823 -1.984 1.896 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.744 -2.247 0.396 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.606 -6.803 0.211 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.151 -6.414 1.887 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.369 -5.565 0.533 1.00 1.00 H new ATOM 677 N ARG A 73 6.911 -4.865 2.829 1.00 1.00 N ATOM 678 CA ARG A 73 7.716 -5.820 3.572 1.00 1.00 C ATOM 679 C ARG A 73 8.550 -5.099 4.634 1.00 1.00 C ATOM 680 O ARG A 73 8.353 -5.308 5.830 1.00 1.00 O ATOM 681 CB ARG A 73 8.650 -6.596 2.641 1.00 1.00 C ATOM 682 CG ARG A 73 9.125 -7.894 3.298 1.00 1.00 C ATOM 683 CD ARG A 73 10.452 -7.685 4.029 1.00 1.00 C ATOM 684 NE ARG A 73 11.229 -8.944 4.038 1.00 1.00 N ATOM 685 CZ ARG A 73 12.184 -9.238 4.946 1.00 1.00 C ATOM 686 NH1 ARG A 73 12.816 -10.394 4.860 1.00 1.00 N ATOM 687 NH2 ARG A 73 12.489 -8.363 5.928 1.00 1.00 N ATOM 0 H ARG A 73 7.111 -4.825 1.830 1.00 1.00 H new ATOM 0 HA ARG A 73 7.036 -6.522 4.054 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.133 -6.824 1.709 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.510 -5.978 2.385 1.00 1.00 H new ATOM 0 HG2 ARG A 73 8.370 -8.247 4.001 1.00 1.00 H new ATOM 0 HG3 ARG A 73 9.242 -8.668 2.540 1.00 1.00 H new ATOM 0 HD2 ARG A 73 11.026 -6.898 3.540 1.00 1.00 H new ATOM 0 HD3 ARG A 73 10.266 -7.356 5.051 1.00 1.00 H new ATOM 0 HE ARG A 73 11.031 -9.633 3.313 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.580 -11.050 4.115 1.00 1.00 H new ATOM 0 HH12 ARG A 73 13.540 -10.631 5.538 1.00 1.00 H new ATOM 0 HH21 ARG A 73 11.997 -7.472 5.988 1.00 1.00 H new ATOM 0 HH22 ARG A 73 13.212 -8.593 6.610 1.00 1.00 H new ATOM 697 N ASN A 74 9.463 -4.265 4.158 1.00 1.00 N ATOM 698 CA ASN A 74 10.327 -3.512 5.051 1.00 1.00 C ATOM 699 C ASN A 74 10.238 -2.024 4.704 1.00 1.00 C ATOM 700 O ASN A 74 11.127 -1.445 4.084 1.00 1.00 O ATOM 701 CB ASN A 74 11.786 -3.946 4.901 1.00 1.00 C ATOM 702 CG ASN A 74 12.588 -3.615 6.161 1.00 1.00 C ATOM 703 OD1 ASN A 74 12.075 -3.088 7.134 1.00 1.00 O ATOM 704 ND2 ASN A 74 13.873 -3.954 6.089 1.00 1.00 N ATOM 0 H ASN A 74 9.623 -4.094 3.165 1.00 1.00 H new ATOM 0 HA ASN A 74 9.999 -3.697 6.074 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.832 -5.018 4.707 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.231 -3.447 4.040 1.00 1.00 H new ATOM 0 HD21 ASN A 74 14.493 -3.775 6.879 1.00 1.00 H new ATOM 0 HD22 ASN A 74 14.238 -4.393 5.244 1.00 1.00 H new ATOM 711 N PRO A 75 9.130 -1.412 5.126 1.00 1.00 N ATOM 712 CA PRO A 75 8.840 -0.010 4.910 1.00 1.00 C ATOM 713 C PRO A 75 9.499 0.821 6.001 1.00 1.00 C ATOM 714 O PRO A 75 10.076 0.243 6.921 1.00 1.00 O ATOM 715 CB PRO A 75 7.318 0.091 4.989 1.00 1.00 C ATOM 716 CG PRO A 75 6.934 -1.038 5.903 1.00 1.00 C ATOM 717 CD PRO A 75 8.065 -2.062 5.858 1.00 1.00 C ATOM 0 HA PRO A 75 9.217 0.360 3.957 1.00 1.00 H new ATOM 0 HB2 PRO A 75 7.001 1.055 5.387 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.858 -0.015 4.007 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.784 -0.675 6.920 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.994 -1.489 5.583 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.388 -2.338 6.862 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.748 -2.979 5.362 1.00 1.00 H new ATOM 725 N GLY A 76 9.406 2.138 5.883 1.00 1.00 N ATOM 726 CA GLY A 76 10.002 3.022 6.870 1.00 1.00 C ATOM 727 C GLY A 76 9.000 3.367 7.973 1.00 1.00 C ATOM 728 O GLY A 76 7.884 2.855 8.024 1.00 1.00 O ATOM 0 H GLY A 76 8.927 2.614 5.119 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.880 2.546 7.307 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.344 3.936 6.385 1.00 1.00 H new ATOM 732 N PRO A 77 9.431 4.259 8.868 1.00 1.00 N ATOM 733 CA PRO A 77 8.651 4.730 9.991 1.00 1.00 C ATOM 734 C PRO A 77 7.307 5.248 9.498 1.00 1.00 C ATOM 735 O PRO A 77 7.220 5.670 8.346 1.00 1.00 O ATOM 736 CB PRO A 77 9.482 5.858 10.600 1.00 1.00 C ATOM 737 CG PRO A 77 10.870 5.586 10.185 1.00 1.00 C ATOM 738 CD PRO A 77 10.738 4.880 8.837 1.00 1.00 C ATOM 0 HA PRO A 77 8.443 3.947 10.720 1.00 1.00 H new ATOM 0 HB2 PRO A 77 9.148 6.831 10.241 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.392 5.871 11.686 1.00 1.00 H new ATOM 0 HG2 PRO A 77 11.445 6.508 10.095 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.385 4.959 10.912 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.820 5.587 8.011 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.525 4.138 8.701 1.00 1.00 H new ATOM 746 N GLY A 78 6.302 5.207 10.360 1.00 1.00 N ATOM 747 CA GLY A 78 4.977 5.675 9.989 1.00 1.00 C ATOM 748 C GLY A 78 4.082 4.509 9.565 1.00 1.00 C ATOM 749 O GLY A 78 2.880 4.519 9.823 1.00 1.00 O ATOM 0 H GLY A 78 6.378 4.857 11.315 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.524 6.199 10.831 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.056 6.393 9.172 1.00 1.00 H new ATOM 753 N MET A 79 4.703 3.531 8.922 1.00 1.00 N ATOM 754 CA MET A 79 3.978 2.360 8.460 1.00 1.00 C ATOM 755 C MET A 79 4.569 1.079 9.054 1.00 1.00 C ATOM 756 O MET A 79 5.775 0.847 9.033 1.00 1.00 O ATOM 757 CB MET A 79 4.040 2.290 6.933 1.00 1.00 C ATOM 758 CG MET A 79 2.814 1.569 6.367 1.00 1.00 C ATOM 759 SD MET A 79 2.621 1.962 4.637 1.00 1.00 S ATOM 760 CE MET A 79 3.115 0.408 3.910 1.00 1.00 C ATOM 0 H MET A 79 5.701 3.526 8.710 1.00 1.00 H new ATOM 0 HA MET A 79 2.942 2.446 8.787 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.096 3.298 6.521 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.947 1.769 6.626 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.924 0.492 6.494 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.921 1.865 6.918 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.053 0.478 2.824 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.140 0.180 4.201 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.454 -0.384 4.261 1.00 1.00 H new ATOM 770 N PRO A 80 3.678 0.243 9.591 1.00 1.00 N ATOM 771 CA PRO A 80 4.014 -1.023 10.206 1.00 1.00 C ATOM 772 C PRO A 80 4.817 -1.868 9.227 1.00 1.00 C ATOM 773 O PRO A 80 5.599 -1.307 8.461 1.00 1.00 O ATOM 774 CB PRO A 80 2.670 -1.677 10.518 1.00 1.00 C ATOM 775 CG PRO A 80 1.698 -0.583 10.572 1.00 1.00 C ATOM 776 CD PRO A 80 2.252 0.485 9.633 1.00 1.00 C ATOM 0 HA PRO A 80 4.622 -0.910 11.104 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.400 -2.402 9.750 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.707 -2.215 11.466 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.711 -0.916 10.252 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.592 -0.199 11.587 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.809 0.406 8.640 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.032 1.487 10.001 1.00 1.00 H new ATOM 784 N ALA A 81 4.617 -3.177 9.269 1.00 1.00 N ATOM 785 CA ALA A 81 5.335 -4.073 8.378 1.00 1.00 C ATOM 786 C ALA A 81 4.453 -5.282 8.059 1.00 1.00 C ATOM 787 O ALA A 81 3.410 -5.476 8.681 1.00 1.00 O ATOM 788 CB ALA A 81 6.664 -4.474 9.020 1.00 1.00 C ATOM 0 H ALA A 81 3.968 -3.639 9.906 1.00 1.00 H new ATOM 0 HA ALA A 81 5.565 -3.575 7.436 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.203 -5.146 8.352 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.265 -3.583 9.200 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.473 -4.980 9.967 1.00 1.00 H new ATOM 794 N PHE A 82 4.904 -6.063 7.088 1.00 1.00 N ATOM 795 CA PHE A 82 4.169 -7.248 6.679 1.00 1.00 C ATOM 796 C PHE A 82 5.108 -8.291 6.068 1.00 1.00 C ATOM 797 O PHE A 82 5.553 -8.140 4.931 1.00 1.00 O ATOM 798 CB PHE A 82 3.160 -6.804 5.618 1.00 1.00 C ATOM 799 CG PHE A 82 2.126 -5.797 6.127 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.401 -4.465 6.095 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.932 -6.233 6.609 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.442 -3.531 6.567 1.00 1.00 C ATOM 803 CE2 PHE A 82 -0.027 -5.299 7.081 1.00 1.00 C ATOM 804 CZ PHE A 82 0.248 -3.967 7.050 1.00 1.00 C ATOM 0 H PHE A 82 5.769 -5.898 6.573 1.00 1.00 H new ATOM 0 HA PHE A 82 3.680 -7.699 7.542 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.700 -6.363 4.780 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.640 -7.682 5.236 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.349 -4.118 5.711 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.713 -7.290 6.633 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.661 -2.474 6.542 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.975 -5.646 7.465 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.482 -3.256 7.409 1.00 1.00 H new ATOM 814 N GLY A 83 5.380 -9.325 6.850 1.00 1.00 N ATOM 815 CA GLY A 83 6.257 -10.393 6.400 1.00 1.00 C ATOM 816 C GLY A 83 5.449 -11.577 5.864 1.00 1.00 C ATOM 817 O GLY A 83 4.241 -11.467 5.660 1.00 1.00 O ATOM 0 H GLY A 83 5.009 -9.446 7.792 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.921 -10.019 5.621 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.888 -10.723 7.226 1.00 1.00 H new ATOM 821 N GLU A 84 6.149 -12.681 5.650 1.00 1.00 N ATOM 822 CA GLU A 84 5.512 -13.884 5.142 1.00 1.00 C ATOM 823 C GLU A 84 4.837 -14.650 6.281 1.00 1.00 C ATOM 824 O GLU A 84 4.361 -15.767 6.087 1.00 1.00 O ATOM 825 CB GLU A 84 6.521 -14.770 4.408 1.00 1.00 C ATOM 826 CG GLU A 84 7.586 -15.300 5.370 1.00 1.00 C ATOM 827 CD GLU A 84 8.925 -14.595 5.147 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.290 -14.306 3.998 1.00 1.00 O ATOM 829 OE2 GLU A 84 9.596 -14.346 6.221 1.00 1.00 O ATOM 0 H GLU A 84 7.151 -12.768 5.819 1.00 1.00 H new ATOM 0 HA GLU A 84 4.746 -13.590 4.425 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.002 -15.605 3.938 1.00 1.00 H new ATOM 0 HB3 GLU A 84 6.998 -14.201 3.610 1.00 1.00 H new ATOM 0 HG2 GLU A 84 7.259 -15.150 6.399 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.708 -16.374 5.228 1.00 1.00 H new ATOM 837 N ALA A 85 4.816 -14.017 7.446 1.00 1.00 N ATOM 838 CA ALA A 85 4.207 -14.625 8.616 1.00 1.00 C ATOM 839 C ALA A 85 2.689 -14.669 8.431 1.00 1.00 C ATOM 840 O ALA A 85 2.045 -15.655 8.787 1.00 1.00 O ATOM 841 CB ALA A 85 4.619 -13.847 9.868 1.00 1.00 C ATOM 0 H ALA A 85 5.211 -13.090 7.604 1.00 1.00 H new ATOM 0 HA ALA A 85 4.554 -15.651 8.740 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.162 -14.303 10.746 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.704 -13.870 9.970 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.285 -12.813 9.780 1.00 1.00 H new ATOM 847 N MET A 86 2.161 -13.589 7.874 1.00 1.00 N ATOM 848 CA MET A 86 0.731 -13.493 7.637 1.00 1.00 C ATOM 849 C MET A 86 0.427 -13.415 6.140 1.00 1.00 C ATOM 850 O MET A 86 -0.361 -14.204 5.621 1.00 1.00 O ATOM 851 CB MET A 86 0.180 -12.248 8.336 1.00 1.00 C ATOM 852 CG MET A 86 -1.339 -12.335 8.496 1.00 1.00 C ATOM 853 SD MET A 86 -1.905 -11.087 9.640 1.00 1.00 S ATOM 854 CE MET A 86 -1.157 -11.686 11.146 1.00 1.00 C ATOM 0 H MET A 86 2.698 -12.773 7.580 1.00 1.00 H new ATOM 0 HA MET A 86 0.254 -14.387 8.039 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.647 -12.140 9.315 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.438 -11.359 7.760 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.823 -12.200 7.529 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.619 -13.325 8.857 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.786 -11.419 11.996 1.00 1.00 H new ATOM 0 HE2 MET A 86 -1.056 -12.770 11.096 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.172 -11.235 11.267 1.00 1.00 H new ATOM 864 N ILE A 87 1.068 -12.456 5.488 1.00 1.00 N ATOM 865 CA ILE A 87 0.876 -12.264 4.060 1.00 1.00 C ATOM 866 C ILE A 87 2.206 -12.486 3.337 1.00 1.00 C ATOM 867 O ILE A 87 3.181 -11.762 3.528 1.00 1.00 O ATOM 868 CB ILE A 87 0.245 -10.899 3.783 1.00 1.00 C ATOM 869 CG1 ILE A 87 -1.006 -10.689 4.638 1.00 1.00 C ATOM 870 CG2 ILE A 87 -0.044 -10.721 2.291 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.969 -9.705 3.969 1.00 1.00 C ATOM 0 H ILE A 87 1.721 -11.803 5.922 1.00 1.00 H new ATOM 0 HA ILE A 87 0.173 -12.999 3.668 1.00 1.00 H new ATOM 0 HB ILE A 87 0.962 -10.128 4.066 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.508 -11.644 4.796 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.720 -10.313 5.620 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.492 -9.742 2.122 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.887 -10.796 1.729 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.732 -11.498 1.959 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.850 -9.574 4.598 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.472 -8.744 3.835 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.272 -10.096 2.997 1.00 1.00 H new ATOM 883 N PRO A 88 2.223 -13.518 2.490 1.00 1.00 N ATOM 884 CA PRO A 88 3.372 -13.907 1.702 1.00 1.00 C ATOM 885 C PRO A 88 3.576 -12.910 0.570 1.00 1.00 C ATOM 886 O PRO A 88 2.616 -12.325 0.075 1.00 1.00 O ATOM 887 CB PRO A 88 3.023 -15.290 1.157 1.00 1.00 C ATOM 888 CG PRO A 88 1.543 -15.298 1.099 1.00 1.00 C ATOM 889 CD PRO A 88 1.095 -14.389 2.241 1.00 1.00 C ATOM 0 HA PRO A 88 4.296 -13.926 2.280 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.461 -15.451 0.172 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.400 -16.080 1.806 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.184 -14.930 0.138 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.149 -16.307 1.221 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.208 -13.818 1.966 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.839 -14.967 3.129 1.00 1.00 H new ATOM 897 N PRO A 89 4.833 -12.717 0.162 1.00 1.00 N ATOM 898 CA PRO A 89 5.216 -11.810 -0.898 1.00 1.00 C ATOM 899 C PRO A 89 4.382 -12.095 -2.140 1.00 1.00 C ATOM 900 O PRO A 89 3.949 -11.148 -2.794 1.00 1.00 O ATOM 901 CB PRO A 89 6.693 -12.105 -1.151 1.00 1.00 C ATOM 902 CG PRO A 89 7.007 -13.431 -0.412 1.00 1.00 C ATOM 903 CD PRO A 89 5.986 -13.389 0.722 1.00 1.00 C ATOM 0 HA PRO A 89 5.055 -10.763 -0.640 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.893 -12.198 -2.218 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.320 -11.295 -0.779 1.00 1.00 H new ATOM 0 HG2 PRO A 89 6.873 -14.301 -1.054 1.00 1.00 H new ATOM 0 HG3 PRO A 89 8.032 -13.463 -0.042 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.732 -14.393 1.062 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.377 -12.850 1.585 1.00 1.00 H new ATOM 911 N ALA A 90 4.178 -13.370 -2.438 1.00 1.00 N ATOM 912 CA ALA A 90 3.397 -13.750 -3.603 1.00 1.00 C ATOM 913 C ALA A 90 1.965 -13.238 -3.441 1.00 1.00 C ATOM 914 O ALA A 90 1.299 -12.922 -4.426 1.00 1.00 O ATOM 915 CB ALA A 90 3.457 -15.268 -3.785 1.00 1.00 C ATOM 0 H ALA A 90 4.540 -14.153 -1.893 1.00 1.00 H new ATOM 0 HA ALA A 90 3.808 -13.297 -4.505 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.871 -15.553 -4.659 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.493 -15.577 -3.926 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.050 -15.757 -2.900 1.00 1.00 H new ATOM 921 N ASP A 91 1.532 -13.172 -2.190 1.00 1.00 N ATOM 922 CA ASP A 91 0.190 -12.704 -1.886 1.00 1.00 C ATOM 923 C ASP A 91 0.180 -11.174 -1.872 1.00 1.00 C ATOM 924 O ASP A 91 -0.885 -10.557 -1.853 1.00 1.00 O ATOM 925 CB ASP A 91 -0.265 -13.193 -0.509 1.00 1.00 C ATOM 926 CG ASP A 91 -0.691 -14.661 -0.453 1.00 1.00 C ATOM 927 OD1 ASP A 91 -0.484 -15.423 -1.409 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.265 -15.020 0.645 1.00 1.00 O ATOM 0 H ASP A 91 2.087 -13.435 -1.375 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.485 -13.094 -2.648 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.547 -13.039 0.201 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.100 -12.575 -0.178 1.00 1.00 H new ATOM 934 N ALA A 92 1.376 -10.605 -1.882 1.00 1.00 N ATOM 935 CA ALA A 92 1.518 -9.159 -1.870 1.00 1.00 C ATOM 936 C ALA A 92 1.354 -8.624 -3.294 1.00 1.00 C ATOM 937 O ALA A 92 0.744 -7.575 -3.500 1.00 1.00 O ATOM 938 CB ALA A 92 2.869 -8.783 -1.258 1.00 1.00 C ATOM 0 H ALA A 92 2.257 -11.120 -1.898 1.00 1.00 H new ATOM 0 HA ALA A 92 0.743 -8.702 -1.254 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.975 -7.698 -1.249 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.924 -9.161 -0.237 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.672 -9.221 -1.851 1.00 1.00 H new ATOM 944 N LEU A 93 1.907 -9.368 -4.240 1.00 1.00 N ATOM 945 CA LEU A 93 1.830 -8.982 -5.638 1.00 1.00 C ATOM 946 C LEU A 93 0.361 -8.904 -6.060 1.00 1.00 C ATOM 947 O LEU A 93 0.039 -8.324 -7.096 1.00 1.00 O ATOM 948 CB LEU A 93 2.669 -9.925 -6.502 1.00 1.00 C ATOM 949 CG LEU A 93 4.184 -9.845 -6.304 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.880 -11.070 -6.901 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.743 -8.537 -6.868 1.00 1.00 C ATOM 0 H LEU A 93 2.411 -10.237 -4.065 1.00 1.00 H new ATOM 0 HA LEU A 93 2.258 -7.990 -5.784 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.350 -10.948 -6.304 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.448 -9.720 -7.549 1.00 1.00 H new ATOM 0 HG LEU A 93 4.389 -9.847 -5.233 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.956 -10.988 -6.747 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.511 -11.972 -6.413 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.670 -11.123 -7.969 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.822 -8.506 -6.714 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.527 -8.479 -7.935 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.279 -7.693 -6.357 1.00 1.00 H new ATOM 963 N LYS A 94 -0.490 -9.497 -5.237 1.00 1.00 N ATOM 964 CA LYS A 94 -1.917 -9.503 -5.512 1.00 1.00 C ATOM 965 C LYS A 94 -2.545 -8.224 -4.954 1.00 1.00 C ATOM 966 O LYS A 94 -3.538 -7.732 -5.486 1.00 1.00 O ATOM 967 CB LYS A 94 -2.560 -10.786 -4.982 1.00 1.00 C ATOM 968 CG LYS A 94 -4.085 -10.724 -5.097 1.00 1.00 C ATOM 969 CD LYS A 94 -4.748 -10.980 -3.743 1.00 1.00 C ATOM 970 CE LYS A 94 -5.272 -12.415 -3.652 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.606 -12.520 -4.283 1.00 1.00 N ATOM 0 H LYS A 94 -0.219 -9.977 -4.379 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.098 -9.505 -6.587 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -2.184 -11.643 -5.541 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.276 -10.936 -3.940 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.385 -9.746 -5.474 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.429 -11.464 -5.820 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.030 -10.800 -2.943 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.570 -10.279 -3.598 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.576 -13.095 -4.144 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.332 -12.721 -2.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.947 -13.500 -4.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -7.271 -11.886 -3.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.539 -12.248 -5.285 1.00 1.00 H new ATOM 984 N ILE A 95 -1.939 -7.723 -3.888 1.00 1.00 N ATOM 985 CA ILE A 95 -2.426 -6.511 -3.251 1.00 1.00 C ATOM 986 C ILE A 95 -2.118 -5.310 -4.147 1.00 1.00 C ATOM 987 O ILE A 95 -2.971 -4.446 -4.349 1.00 1.00 O ATOM 988 CB ILE A 95 -1.859 -6.384 -1.836 1.00 1.00 C ATOM 989 CG1 ILE A 95 -2.039 -7.686 -1.054 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.471 -5.187 -1.105 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.503 -7.892 -0.662 1.00 1.00 C ATOM 0 H ILE A 95 -1.115 -8.134 -3.449 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.509 -6.552 -3.133 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.787 -6.200 -1.913 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.699 -8.527 -1.658 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.418 -7.665 -0.158 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -2.051 -5.120 -0.102 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.248 -4.272 -1.654 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.551 -5.315 -1.038 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.603 -8.825 -0.107 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.833 -7.061 -0.038 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.118 -7.937 -1.561 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.897 -5.293 -4.661 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.466 -4.212 -5.531 1.00 1.00 C ATOM 1005 C GLY A 96 -1.508 -3.933 -6.616 1.00 1.00 C ATOM 1006 O GLY A 96 -1.579 -2.823 -7.142 1.00 1.00 O ATOM 0 H GLY A 96 -0.192 -6.011 -4.492 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.299 -3.310 -4.942 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.486 -4.471 -5.994 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.290 -4.958 -6.918 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.325 -4.837 -7.931 1.00 1.00 C ATOM 1012 C GLU A 97 -4.430 -3.894 -7.451 1.00 1.00 C ATOM 1013 O GLU A 97 -4.812 -2.940 -8.124 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.896 -6.208 -8.298 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.783 -7.252 -8.417 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.272 -8.492 -9.168 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.217 -8.528 -10.406 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.720 -9.442 -8.419 1.00 1.00 O ATOM 0 H GLU A 97 -2.228 -5.877 -6.479 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.878 -4.413 -8.830 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.614 -6.522 -7.540 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.438 -6.140 -9.241 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.929 -6.820 -8.938 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.439 -7.537 -7.423 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.940 -4.187 -6.253 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.995 -3.392 -5.657 1.00 1.00 C ATOM 1028 C TYR A 98 -5.634 -1.915 -5.734 1.00 1.00 C ATOM 1029 O TYR A 98 -6.539 -1.082 -5.759 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.200 -3.825 -4.208 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.384 -3.162 -3.544 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -7.180 -2.227 -2.522 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.685 -3.484 -3.949 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.276 -1.613 -1.906 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.782 -2.870 -3.333 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.578 -1.934 -2.311 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.646 -1.336 -1.711 1.00 1.00 O ATOM 0 H TYR A 98 -4.632 -4.974 -5.681 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.926 -3.546 -6.203 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.333 -4.906 -4.175 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.299 -3.598 -3.638 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.176 -1.980 -2.209 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.842 -4.206 -4.737 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -8.118 -0.891 -1.118 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.786 -3.118 -3.646 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.476 -1.670 -2.111 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.343 -1.622 -5.768 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.890 -0.243 -5.842 1.00 1.00 C ATOM 1049 C VAL A 99 -3.582 0.112 -7.298 1.00 1.00 C ATOM 1050 O VAL A 99 -2.688 0.911 -7.570 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.695 -0.034 -4.910 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.106 1.368 -5.080 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.084 -0.292 -3.453 1.00 1.00 C ATOM 0 H VAL A 99 -3.596 -2.316 -5.746 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.673 0.434 -5.502 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.926 -0.756 -5.184 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.258 1.491 -4.406 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.773 1.501 -6.110 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.866 2.113 -4.846 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.216 -0.136 -2.812 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.879 0.395 -3.161 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.435 -1.319 -3.346 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.341 -0.500 -8.196 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.160 -0.259 -9.617 1.00 1.00 C ATOM 1065 C VAL A 100 -5.507 -0.398 -10.329 1.00 1.00 C ATOM 1066 O VAL A 100 -5.555 -0.624 -11.537 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.089 -1.199 -10.175 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -2.987 -1.071 -11.696 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.735 -0.943 -9.511 1.00 1.00 C ATOM 0 H VAL A 100 -5.082 -1.162 -7.967 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.804 0.757 -9.790 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.387 -2.222 -9.944 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.219 -1.749 -12.068 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -3.946 -1.326 -12.148 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.724 -0.046 -11.958 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -0.992 -1.624 -9.926 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.428 0.086 -9.697 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.819 -1.108 -8.437 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.569 -0.256 -9.550 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.914 -0.363 -10.090 1.00 1.00 C ATOM 1081 C ALA A 101 -8.757 0.808 -9.583 1.00 1.00 C ATOM 1082 O ALA A 101 -9.958 0.663 -9.361 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.511 -1.719 -9.710 1.00 1.00 C ATOM 0 H ALA A 101 -6.526 -0.068 -8.548 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.896 -0.309 -11.179 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.520 -1.799 -10.115 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.891 -2.517 -10.119 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.548 -1.809 -8.624 1.00 1.00 H new ATOM 1089 N SER A 102 -8.095 1.944 -9.416 1.00 1.00 N ATOM 1090 CA SER A 102 -8.769 3.140 -8.939 1.00 1.00 C ATOM 1091 C SER A 102 -7.889 4.368 -9.181 1.00 1.00 C ATOM 1092 O SER A 102 -8.380 5.415 -9.598 1.00 1.00 O ATOM 1093 CB SER A 102 -9.119 3.020 -7.455 1.00 1.00 C ATOM 1094 OG SER A 102 -8.101 2.347 -6.719 1.00 1.00 O ATOM 0 H SER A 102 -7.099 2.061 -9.603 1.00 1.00 H new ATOM 0 HA SER A 102 -9.700 3.253 -9.495 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.271 4.015 -7.037 1.00 1.00 H new ATOM 0 HB3 SER A 102 -10.061 2.482 -7.347 1.00 1.00 H new ATOM 0 HG SER A 102 -7.363 2.967 -6.539 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.604 4.198 -8.907 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.651 5.279 -9.089 1.00 1.00 C ATOM 1102 C PHE A 103 -4.232 4.735 -9.268 1.00 1.00 C ATOM 1103 O PHE A 103 -3.377 4.843 -8.392 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.700 6.137 -7.823 1.00 1.00 C ATOM 1105 CG PHE A 103 -6.100 5.365 -6.564 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.511 4.172 -6.282 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -7.044 5.872 -5.727 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.883 3.455 -5.114 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.416 5.156 -4.558 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.827 3.963 -4.277 1.00 1.00 C ATOM 0 H PHE A 103 -6.201 3.328 -8.560 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.906 5.853 -9.980 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.721 6.589 -7.664 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.406 6.953 -7.976 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.760 3.770 -6.946 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.511 6.820 -5.951 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.417 2.507 -4.891 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -8.166 5.559 -3.893 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.109 3.418 -3.388 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.999 4.141 -10.440 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.730 3.558 -10.822 1.00 1.00 C ATOM 1122 C PRO A 104 -1.635 4.609 -10.719 1.00 1.00 C ATOM 1123 O PRO A 104 -1.814 5.634 -10.065 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.925 3.109 -12.268 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.413 2.924 -12.418 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.981 3.997 -11.493 1.00 1.00 C ATOM 0 HA PRO A 104 -2.434 2.727 -10.182 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.547 3.854 -12.968 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.389 2.182 -12.470 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.737 3.066 -13.449 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.729 1.924 -12.120 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.131 4.937 -12.024 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.950 3.700 -11.091 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.470 2.528 4.224 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.919 5.286 2.750 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.312 1.043 0.981 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.983 -0.340 5.468 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.281 4.079 7.175 1.00 1.00 C HETATM 1140 NA HEC A 201 1.023 3.040 2.262 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.572 4.254 1.885 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.738 4.305 0.452 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.294 3.130 -0.041 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.848 2.340 1.081 1.00 1.00 C HETATM 1145 CMA HEC A 201 1.252 2.686 -1.475 1.00 1.00 C HETATM 1146 CAA HEC A 201 2.305 5.470 -0.306 1.00 1.00 C HETATM 1147 CBA HEC A 201 1.353 6.657 -0.423 1.00 1.00 C HETATM 1148 CGA HEC A 201 0.698 6.969 0.915 1.00 1.00 C HETATM 1149 O1A HEC A 201 1.232 7.856 1.615 1.00 1.00 O HETATM 1150 O2A HEC A 201 -0.324 6.314 1.213 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.196 0.724 3.374 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.175 0.305 2.055 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.735 -1.021 1.942 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.095 -1.407 3.184 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.762 -0.324 4.079 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.872 -1.789 0.660 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.725 -2.704 3.603 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.973 -3.942 3.123 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.152 1.951 5.984 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.778 0.774 6.356 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.249 0.866 7.718 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.912 2.092 8.172 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.230 2.771 7.096 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.974 -0.225 8.452 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.177 2.680 9.528 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.776 1.771 10.687 1.00 1.00 C HETATM 1167 ND HEC A 201 0.922 4.330 4.806 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.899 4.750 6.125 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.612 5.997 6.266 1.00 1.00 C HETATM 1170 C3D HEC A 201 2.067 6.335 5.041 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.640 5.299 4.129 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.789 6.744 7.556 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.868 7.544 4.653 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.356 7.431 4.973 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.576 7.050 6.430 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.490 5.837 6.718 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.827 7.979 7.228 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.812 7.010 7.959 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.317 6.114 8.272 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.366 7.651 7.375 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.896 -0.469 7.924 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.341 -1.111 8.505 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.212 0.111 9.461 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.503 -1.232 -0.032 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.113 -1.935 0.216 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.326 -2.759 0.864 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.628 3.371 -2.050 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 2.262 2.684 -1.885 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.835 1.680 -1.532 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.815 6.684 4.325 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.849 8.380 4.764 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.334 0.837 10.627 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.292 1.560 10.631 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.999 2.267 11.632 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.930 -3.942 2.034 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.040 -3.931 3.526 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.491 -4.838 3.466 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 1.899 7.532 -0.777 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 0.585 6.439 -1.165 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.749 7.718 3.584 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.462 8.416 5.165 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 3.221 5.799 0.185 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 2.581 5.139 -1.307 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.186 4.604 8.126 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.338 -1.272 5.908 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.276 0.584 -0.007 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.444 6.144 2.331 1.00 1.00 H new HETATM 0 H2D HEC A 201 4.236 8.738 7.043 1.00 1.00 H new HETATM 0 H2A HEC A 201 -1.079 6.926 1.339 1.00 1.00 H new