USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 733 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 Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 130:sc= -0.0432 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.786 K(o=-0.79,f=-5.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0528 USER MOD Single : A 73 LYS NZ :NH3+ -115:sc= 1.12 (180deg=-0.152) USER MOD Single : A 79 ASN : amide:sc= 0.735 K(o=0.74,f=-0.78) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.724 X(o=-0.72,f=-0.72) USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= -0.0225 (180deg=-0.0501) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 1.618 0.260 -0.153 1.00 1.00 N ATOM 2 CA MET A 8 2.401 0.116 -1.404 1.00 1.00 C ATOM 3 C MET A 8 2.663 -1.355 -1.715 1.00 1.00 C ATOM 4 O MET A 8 3.037 -2.130 -0.808 1.00 1.00 O ATOM 5 CB MET A 8 3.739 0.870 -1.289 1.00 1.00 C ATOM 6 CG MET A 8 3.674 2.340 -1.698 1.00 1.00 C ATOM 7 SD MET A 8 2.766 3.351 -0.514 1.00 1.00 S ATOM 8 CE MET A 8 2.184 4.671 -1.575 1.00 1.00 C ATOM 0 HA MET A 8 1.817 0.546 -2.218 1.00 1.00 H new ATOM 0 HB2 MET A 8 4.089 0.808 -0.259 1.00 1.00 H new ATOM 0 HB3 MET A 8 4.480 0.366 -1.909 1.00 1.00 H new ATOM 0 HG2 MET A 8 4.687 2.730 -1.801 1.00 1.00 H new ATOM 0 HG3 MET A 8 3.201 2.420 -2.677 1.00 1.00 H new ATOM 0 HE1 MET A 8 1.603 5.381 -0.987 1.00 1.00 H new ATOM 0 HE2 MET A 8 3.037 5.182 -2.021 1.00 1.00 H new ATOM 0 HE3 MET A 8 1.557 4.254 -2.364 1.00 1.00 H new ATOM 18 N ALA A 9 2.437 -1.708 -3.002 1.00 1.00 N ATOM 19 CA ALA A 9 2.640 -3.065 -3.535 1.00 1.00 C ATOM 20 C ALA A 9 3.870 -3.110 -4.436 1.00 1.00 C ATOM 21 O ALA A 9 4.096 -2.176 -5.222 1.00 1.00 O ATOM 22 CB ALA A 9 1.404 -3.531 -4.294 1.00 1.00 C ATOM 0 H ALA A 9 2.105 -1.046 -3.704 1.00 1.00 H new ATOM 0 HA ALA A 9 2.805 -3.742 -2.696 1.00 1.00 H new ATOM 0 HB1 ALA A 9 1.572 -4.536 -4.681 1.00 1.00 H new ATOM 0 HB2 ALA A 9 0.546 -3.540 -3.622 1.00 1.00 H new ATOM 0 HB3 ALA A 9 1.208 -2.851 -5.123 1.00 1.00 H new ATOM 28 N LYS A 10 4.646 -4.204 -4.293 1.00 1.00 N ATOM 29 CA LYS A 10 5.878 -4.452 -5.057 1.00 1.00 C ATOM 30 C LYS A 10 5.712 -5.658 -5.965 1.00 1.00 C ATOM 31 O LYS A 10 5.115 -6.675 -5.553 1.00 1.00 O ATOM 32 CB LYS A 10 7.072 -4.672 -4.122 1.00 1.00 C ATOM 33 CG LYS A 10 7.774 -3.389 -3.706 1.00 1.00 C ATOM 34 CD LYS A 10 8.906 -3.672 -2.730 1.00 1.00 C ATOM 35 CE LYS A 10 9.668 -2.404 -2.380 1.00 1.00 C ATOM 36 NZ LYS A 10 10.782 -2.670 -1.428 1.00 1.00 N ATOM 0 H LYS A 10 4.427 -4.949 -3.632 1.00 1.00 H new ATOM 0 HA LYS A 10 6.071 -3.570 -5.667 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.730 -5.193 -3.228 1.00 1.00 H new ATOM 0 HB3 LYS A 10 7.792 -5.325 -4.616 1.00 1.00 H new ATOM 0 HG2 LYS A 10 8.169 -2.885 -4.588 1.00 1.00 H new ATOM 0 HG3 LYS A 10 7.055 -2.711 -3.246 1.00 1.00 H new ATOM 0 HD2 LYS A 10 8.502 -4.118 -1.821 1.00 1.00 H new ATOM 0 HD3 LYS A 10 9.590 -4.401 -3.165 1.00 1.00 H new ATOM 0 HE2 LYS A 10 10.068 -1.958 -3.291 1.00 1.00 H new ATOM 0 HE3 LYS A 10 8.983 -1.678 -1.943 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 11.276 -1.780 -1.215 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 10.399 -3.072 -0.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 11.450 -3.343 -1.855 1.00 1.00 H new ATOM 50 N CYS A 11 6.252 -5.529 -7.221 1.00 1.00 N ATOM 51 CA CYS A 11 6.219 -6.598 -8.267 1.00 1.00 C ATOM 52 C CYS A 11 7.159 -7.812 -7.908 1.00 1.00 C ATOM 53 O CYS A 11 8.361 -7.565 -7.654 1.00 1.00 O ATOM 54 CB CYS A 11 6.607 -6.056 -9.663 1.00 1.00 C ATOM 55 SG CYS A 11 6.188 -7.189 -11.040 1.00 1.00 S ATOM 0 H CYS A 11 6.722 -4.679 -7.532 1.00 1.00 H new ATOM 0 HA CYS A 11 5.187 -6.948 -8.296 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.105 -5.102 -9.824 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.679 -5.859 -9.681 1.00 1.00 H new ATOM 60 N PRO A 12 6.645 -9.143 -7.817 1.00 1.00 N ATOM 61 CA PRO A 12 7.533 -10.321 -7.510 1.00 1.00 C ATOM 62 C PRO A 12 8.484 -10.757 -8.683 1.00 1.00 C ATOM 63 O PRO A 12 9.407 -11.559 -8.454 1.00 1.00 O ATOM 64 CB PRO A 12 6.535 -11.451 -7.149 1.00 1.00 C ATOM 65 CG PRO A 12 5.252 -11.112 -7.870 1.00 1.00 C ATOM 66 CD PRO A 12 5.204 -9.598 -7.938 1.00 1.00 C ATOM 0 HA PRO A 12 8.232 -10.071 -6.712 1.00 1.00 H new ATOM 0 HB2 PRO A 12 6.915 -12.423 -7.463 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.376 -11.503 -6.072 1.00 1.00 H new ATOM 0 HG2 PRO A 12 5.237 -11.549 -8.868 1.00 1.00 H new ATOM 0 HG3 PRO A 12 4.387 -11.507 -7.336 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.763 -9.261 -8.876 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.594 -9.188 -7.133 1.00 1.00 H new ATOM 74 N ILE A 13 8.228 -10.190 -9.906 1.00 1.00 N ATOM 75 CA ILE A 13 8.964 -10.491 -11.165 1.00 1.00 C ATOM 76 C ILE A 13 10.160 -9.506 -11.364 1.00 1.00 C ATOM 77 O ILE A 13 11.294 -9.987 -11.550 1.00 1.00 O ATOM 78 CB ILE A 13 7.976 -10.458 -12.447 1.00 1.00 C ATOM 79 CG1 ILE A 13 6.632 -11.204 -12.212 1.00 1.00 C ATOM 80 CG2 ILE A 13 8.605 -11.078 -13.717 1.00 1.00 C ATOM 81 CD1 ILE A 13 5.414 -10.304 -12.245 1.00 1.00 C ATOM 0 H ILE A 13 7.489 -9.499 -10.038 1.00 1.00 H new ATOM 0 HA ILE A 13 9.365 -11.501 -11.078 1.00 1.00 H new ATOM 0 HB ILE A 13 7.796 -9.393 -12.591 1.00 1.00 H new ATOM 0 HG12 ILE A 13 6.520 -11.978 -12.972 1.00 1.00 H new ATOM 0 HG13 ILE A 13 6.672 -11.709 -11.247 1.00 1.00 H new ATOM 0 HG21 ILE A 13 7.892 -11.025 -14.539 1.00 1.00 H new ATOM 0 HG22 ILE A 13 9.507 -10.527 -13.983 1.00 1.00 H new ATOM 0 HG23 ILE A 13 8.860 -12.120 -13.525 1.00 1.00 H new ATOM 0 HD11 ILE A 13 4.517 -10.899 -12.073 1.00 1.00 H new ATOM 0 HD12 ILE A 13 5.501 -9.545 -11.467 1.00 1.00 H new ATOM 0 HD13 ILE A 13 5.346 -9.819 -13.219 1.00 1.00 H new ATOM 93 N CYS A 14 9.890 -8.162 -11.320 1.00 1.00 N ATOM 94 CA CYS A 14 10.934 -7.134 -11.542 1.00 1.00 C ATOM 95 C CYS A 14 11.398 -6.473 -10.228 1.00 1.00 C ATOM 96 O CYS A 14 12.611 -6.232 -10.067 1.00 1.00 O ATOM 97 CB CYS A 14 10.458 -6.087 -12.575 1.00 1.00 C ATOM 98 SG CYS A 14 9.003 -5.101 -12.086 1.00 1.00 S ATOM 0 H CYS A 14 8.963 -7.779 -11.134 1.00 1.00 H new ATOM 0 HA CYS A 14 11.808 -7.640 -11.952 1.00 1.00 H new ATOM 0 HB2 CYS A 14 11.283 -5.406 -12.782 1.00 1.00 H new ATOM 0 HB3 CYS A 14 10.229 -6.602 -13.508 1.00 1.00 H new ATOM 103 N GLY A 15 10.420 -6.180 -9.320 1.00 1.00 N ATOM 104 CA GLY A 15 10.683 -5.548 -8.006 1.00 1.00 C ATOM 105 C GLY A 15 10.499 -4.028 -8.005 1.00 1.00 C ATOM 106 O GLY A 15 11.176 -3.332 -7.223 1.00 1.00 O ATOM 0 H GLY A 15 9.433 -6.378 -9.485 1.00 1.00 H new ATOM 0 HA2 GLY A 15 10.017 -5.986 -7.263 1.00 1.00 H new ATOM 0 HA3 GLY A 15 11.702 -5.782 -7.698 1.00 1.00 H new ATOM 110 N SER A 16 9.581 -3.535 -8.890 1.00 1.00 N ATOM 111 CA SER A 16 9.274 -2.101 -9.053 1.00 1.00 C ATOM 112 C SER A 16 8.084 -1.622 -8.156 1.00 1.00 C ATOM 113 O SER A 16 7.154 -2.431 -7.978 1.00 1.00 O ATOM 114 CB SER A 16 8.933 -1.818 -10.508 1.00 1.00 C ATOM 115 OG SER A 16 9.518 -0.606 -10.947 1.00 1.00 O ATOM 0 H SER A 16 9.036 -4.135 -9.509 1.00 1.00 H new ATOM 0 HA SER A 16 10.162 -1.552 -8.741 1.00 1.00 H new ATOM 0 HB2 SER A 16 9.283 -2.640 -11.132 1.00 1.00 H new ATOM 0 HB3 SER A 16 7.851 -1.766 -10.627 1.00 1.00 H new ATOM 0 HG SER A 16 9.994 -0.759 -11.790 1.00 1.00 H new ATOM 121 N PRO A 17 8.049 -0.305 -7.558 1.00 1.00 N ATOM 122 CA PRO A 17 6.890 0.180 -6.718 1.00 1.00 C ATOM 123 C PRO A 17 5.599 0.432 -7.529 1.00 1.00 C ATOM 124 O PRO A 17 5.663 0.953 -8.662 1.00 1.00 O ATOM 125 CB PRO A 17 7.383 1.514 -6.105 1.00 1.00 C ATOM 126 CG PRO A 17 8.864 1.485 -6.276 1.00 1.00 C ATOM 127 CD PRO A 17 9.087 0.790 -7.590 1.00 1.00 C ATOM 0 HA PRO A 17 6.621 -0.577 -5.981 1.00 1.00 H new ATOM 0 HB2 PRO A 17 6.942 2.371 -6.615 1.00 1.00 H new ATOM 0 HB3 PRO A 17 7.107 1.592 -5.053 1.00 1.00 H new ATOM 0 HG2 PRO A 17 9.281 2.492 -6.286 1.00 1.00 H new ATOM 0 HG3 PRO A 17 9.346 0.949 -5.458 1.00 1.00 H new ATOM 0 HD2 PRO A 17 8.942 1.463 -8.435 1.00 1.00 H new ATOM 0 HD3 PRO A 17 10.098 0.390 -7.671 1.00 1.00 H new ATOM 135 N LEU A 18 4.467 0.026 -6.921 1.00 1.00 N ATOM 136 CA LEU A 18 3.116 0.165 -7.495 1.00 1.00 C ATOM 137 C LEU A 18 2.235 1.003 -6.582 1.00 1.00 C ATOM 138 O LEU A 18 2.345 0.908 -5.340 1.00 1.00 O ATOM 139 CB LEU A 18 2.457 -1.206 -7.721 1.00 1.00 C ATOM 140 CG LEU A 18 2.963 -1.999 -8.930 1.00 1.00 C ATOM 141 CD1 LEU A 18 3.285 -3.431 -8.531 1.00 1.00 C ATOM 142 CD2 LEU A 18 1.933 -1.976 -10.051 1.00 1.00 C ATOM 0 H LEU A 18 4.467 -0.415 -6.001 1.00 1.00 H new ATOM 0 HA LEU A 18 3.221 0.662 -8.459 1.00 1.00 H new ATOM 0 HB2 LEU A 18 2.605 -1.811 -6.826 1.00 1.00 H new ATOM 0 HB3 LEU A 18 1.383 -1.058 -7.832 1.00 1.00 H new ATOM 0 HG LEU A 18 3.877 -1.529 -9.293 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.643 -3.980 -9.402 1.00 1.00 H new ATOM 0 HD12 LEU A 18 4.056 -3.429 -7.761 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.387 -3.912 -8.144 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.309 -2.544 -10.902 1.00 1.00 H new ATOM 0 HD22 LEU A 18 1.003 -2.422 -9.699 1.00 1.00 H new ATOM 0 HD23 LEU A 18 1.749 -0.946 -10.355 1.00 1.00 H new ATOM 154 N LYS A 19 1.349 1.807 -7.225 1.00 1.00 N ATOM 155 CA LYS A 19 0.395 2.695 -6.536 1.00 1.00 C ATOM 156 C LYS A 19 -0.971 2.025 -6.389 1.00 1.00 C ATOM 157 O LYS A 19 -1.484 1.428 -7.357 1.00 1.00 O ATOM 158 CB LYS A 19 0.250 4.025 -7.298 1.00 1.00 C ATOM 159 CG LYS A 19 1.327 5.051 -6.976 1.00 1.00 C ATOM 160 CD LYS A 19 1.173 6.300 -7.826 1.00 1.00 C ATOM 161 CE LYS A 19 2.230 7.334 -7.485 1.00 1.00 C ATOM 162 NZ LYS A 19 2.094 8.562 -8.315 1.00 1.00 N ATOM 0 H LYS A 19 1.282 1.853 -8.242 1.00 1.00 H new ATOM 0 HA LYS A 19 0.787 2.898 -5.539 1.00 1.00 H new ATOM 0 HB2 LYS A 19 0.267 3.821 -8.369 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -0.725 4.456 -7.071 1.00 1.00 H new ATOM 0 HG2 LYS A 19 1.273 5.318 -5.921 1.00 1.00 H new ATOM 0 HG3 LYS A 19 2.311 4.613 -7.144 1.00 1.00 H new ATOM 0 HD2 LYS A 19 1.247 6.036 -8.881 1.00 1.00 H new ATOM 0 HD3 LYS A 19 0.182 6.726 -7.673 1.00 1.00 H new ATOM 0 HE2 LYS A 19 2.152 7.598 -6.430 1.00 1.00 H new ATOM 0 HE3 LYS A 19 3.220 6.903 -7.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 2.834 9.243 -8.051 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 2.194 8.314 -9.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 1.159 8.988 -8.154 1.00 1.00 H new ATOM 176 N TRP A 20 -1.535 2.115 -5.143 1.00 1.00 N ATOM 177 CA TRP A 20 -2.883 1.568 -4.771 1.00 1.00 C ATOM 178 C TRP A 20 -4.061 2.329 -5.443 1.00 1.00 C ATOM 179 O TRP A 20 -5.131 1.744 -5.647 1.00 1.00 O ATOM 180 CB TRP A 20 -3.051 1.526 -3.250 1.00 1.00 C ATOM 181 CG TRP A 20 -2.457 0.279 -2.624 1.00 1.00 C ATOM 182 CD1 TRP A 20 -1.229 0.184 -2.032 1.00 1.00 C ATOM 183 CD2 TRP A 20 -3.049 -1.051 -2.526 1.00 1.00 C ATOM 184 NE1 TRP A 20 -1.011 -1.097 -1.583 1.00 1.00 N ATOM 185 CE2 TRP A 20 -2.105 -1.869 -1.874 1.00 1.00 C ATOM 186 CE3 TRP A 20 -4.273 -1.636 -2.928 1.00 1.00 C ATOM 187 CZ2 TRP A 20 -2.338 -3.217 -1.613 1.00 1.00 C ATOM 188 CZ3 TRP A 20 -4.495 -2.973 -2.663 1.00 1.00 C ATOM 189 CH2 TRP A 20 -3.531 -3.751 -2.014 1.00 1.00 C ATOM 0 H TRP A 20 -1.063 2.573 -4.363 1.00 1.00 H new ATOM 0 HA TRP A 20 -2.921 0.550 -5.158 1.00 1.00 H new ATOM 0 HB2 TRP A 20 -2.579 2.406 -2.813 1.00 1.00 H new ATOM 0 HB3 TRP A 20 -4.112 1.579 -3.005 1.00 1.00 H new ATOM 0 HD1 TRP A 20 -0.529 1.000 -1.931 1.00 1.00 H new ATOM 0 HE1 TRP A 20 -0.168 -1.421 -1.108 1.00 1.00 H new ATOM 0 HE3 TRP A 20 -5.022 -1.046 -3.434 1.00 1.00 H new ATOM 0 HZ2 TRP A 20 -1.599 -3.822 -1.109 1.00 1.00 H new ATOM 0 HZ3 TRP A 20 -5.429 -3.425 -2.962 1.00 1.00 H new ATOM 0 HH2 TRP A 20 -3.733 -4.795 -1.826 1.00 1.00 H new ATOM 200 N GLU A 21 -3.811 3.643 -5.777 1.00 1.00 N ATOM 201 CA GLU A 21 -4.763 4.562 -6.492 1.00 1.00 C ATOM 202 C GLU A 21 -4.928 4.200 -7.998 1.00 1.00 C ATOM 203 O GLU A 21 -6.012 4.416 -8.565 1.00 1.00 O ATOM 204 CB GLU A 21 -4.299 6.022 -6.374 1.00 1.00 C ATOM 205 CG GLU A 21 -4.625 6.683 -5.039 1.00 1.00 C ATOM 206 CD GLU A 21 -4.166 8.129 -4.976 1.00 1.00 C ATOM 207 OE1 GLU A 21 -3.005 8.369 -4.581 1.00 1.00 O ATOM 208 OE2 GLU A 21 -4.967 9.020 -5.325 1.00 1.00 O ATOM 0 H GLU A 21 -2.926 4.097 -5.551 1.00 1.00 H new ATOM 0 HA GLU A 21 -5.731 4.437 -6.008 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -3.221 6.061 -6.531 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.759 6.602 -7.174 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -5.701 6.639 -4.869 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -4.152 6.120 -4.234 1.00 1.00 H new ATOM 215 N GLU A 22 -3.821 3.644 -8.617 1.00 1.00 N ATOM 216 CA GLU A 22 -3.772 3.175 -10.041 1.00 1.00 C ATOM 217 C GLU A 22 -4.517 1.830 -10.252 1.00 1.00 C ATOM 218 O GLU A 22 -5.124 1.628 -11.312 1.00 1.00 O ATOM 219 CB GLU A 22 -2.321 3.044 -10.528 1.00 1.00 C ATOM 220 CG GLU A 22 -1.692 4.357 -10.977 1.00 1.00 C ATOM 221 CD GLU A 22 -0.269 4.181 -11.478 1.00 1.00 C ATOM 222 OE1 GLU A 22 0.663 4.222 -10.647 1.00 1.00 O ATOM 223 OE2 GLU A 22 -0.088 4.003 -12.699 1.00 1.00 O ATOM 0 H GLU A 22 -2.935 3.512 -8.128 1.00 1.00 H new ATOM 0 HA GLU A 22 -4.285 3.935 -10.631 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -1.717 2.621 -9.725 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -2.290 2.337 -11.357 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -2.300 4.795 -11.768 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -1.696 5.061 -10.145 1.00 1.00 H new ATOM 230 N LEU A 23 -4.455 0.932 -9.206 1.00 1.00 N ATOM 231 CA LEU A 23 -5.125 -0.407 -9.161 1.00 1.00 C ATOM 232 C LEU A 23 -6.676 -0.333 -9.117 1.00 1.00 C ATOM 233 O LEU A 23 -7.337 -1.142 -9.773 1.00 1.00 O ATOM 234 CB LEU A 23 -4.622 -1.202 -7.942 1.00 1.00 C ATOM 235 CG LEU A 23 -3.298 -1.945 -8.126 1.00 1.00 C ATOM 236 CD1 LEU A 23 -2.363 -1.682 -6.954 1.00 1.00 C ATOM 237 CD2 LEU A 23 -3.546 -3.437 -8.274 1.00 1.00 C ATOM 0 H LEU A 23 -3.925 1.131 -8.357 1.00 1.00 H new ATOM 0 HA LEU A 23 -4.860 -0.908 -10.092 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -4.516 -0.514 -7.103 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -5.387 -1.927 -7.665 1.00 1.00 H new ATOM 0 HG LEU A 23 -2.823 -1.575 -9.034 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -1.428 -2.221 -7.107 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -2.159 -0.614 -6.884 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -2.832 -2.023 -6.031 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -2.595 -3.953 -8.404 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -4.044 -3.814 -7.380 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -4.178 -3.616 -9.144 1.00 1.00 H new ATOM 249 N ILE A 24 -7.218 0.658 -8.327 1.00 1.00 N ATOM 250 CA ILE A 24 -8.690 0.914 -8.146 1.00 1.00 C ATOM 251 C ILE A 24 -9.276 1.695 -9.385 1.00 1.00 C ATOM 252 O ILE A 24 -10.388 1.369 -9.827 1.00 1.00 O ATOM 253 CB ILE A 24 -9.027 1.674 -6.750 1.00 1.00 C ATOM 254 CG1 ILE A 24 -8.205 1.182 -5.453 1.00 1.00 C ATOM 255 CG2 ILE A 24 -10.562 1.677 -6.422 1.00 1.00 C ATOM 256 CD1 ILE A 24 -8.136 -0.326 -5.092 1.00 1.00 C ATOM 0 H ILE A 24 -6.637 1.306 -7.795 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.180 -0.058 -8.089 1.00 1.00 H new ATOM 0 HB ILE A 24 -8.684 2.689 -6.953 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -7.180 1.533 -5.569 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -8.623 1.701 -4.591 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -10.732 2.197 -5.479 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -11.104 2.186 -7.220 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -10.918 0.650 -6.339 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -7.539 -0.457 -4.189 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -9.143 -0.705 -4.919 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -7.677 -0.876 -5.913 1.00 1.00 H new ATOM 268 N GLU A 25 -8.501 2.715 -9.911 1.00 1.00 N ATOM 269 CA GLU A 25 -8.882 3.560 -11.093 1.00 1.00 C ATOM 270 C GLU A 25 -8.924 2.763 -12.434 1.00 1.00 C ATOM 271 O GLU A 25 -9.791 3.036 -13.283 1.00 1.00 O ATOM 272 CB GLU A 25 -7.933 4.754 -11.209 1.00 1.00 C ATOM 273 CG GLU A 25 -8.657 6.088 -11.333 1.00 1.00 C ATOM 274 CD GLU A 25 -7.715 7.247 -11.588 1.00 1.00 C ATOM 275 OE1 GLU A 25 -7.414 7.519 -12.770 1.00 1.00 O ATOM 276 OE2 GLU A 25 -7.281 7.887 -10.607 1.00 1.00 O ATOM 0 H GLU A 25 -7.594 2.967 -9.519 1.00 1.00 H new ATOM 0 HA GLU A 25 -9.898 3.911 -10.915 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.284 4.780 -10.333 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -7.290 4.615 -12.078 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -9.381 6.029 -12.146 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -9.219 6.277 -10.419 1.00 1.00 H new ATOM 283 N GLU A 26 -7.966 1.788 -12.587 1.00 1.00 N ATOM 284 CA GLU A 26 -7.862 0.856 -13.747 1.00 1.00 C ATOM 285 C GLU A 26 -8.876 -0.325 -13.671 1.00 1.00 C ATOM 286 O GLU A 26 -9.192 -0.923 -14.719 1.00 1.00 O ATOM 287 CB GLU A 26 -6.450 0.275 -13.826 1.00 1.00 C ATOM 288 CG GLU A 26 -5.394 1.216 -14.413 1.00 1.00 C ATOM 289 CD GLU A 26 -4.018 0.581 -14.495 1.00 1.00 C ATOM 290 OE1 GLU A 26 -3.271 0.651 -13.497 1.00 1.00 O ATOM 291 OE2 GLU A 26 -3.685 0.021 -15.561 1.00 1.00 O ATOM 0 H GLU A 26 -7.236 1.632 -11.891 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.095 1.444 -14.635 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.137 -0.017 -12.824 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.480 -0.633 -14.428 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -5.705 1.527 -15.410 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.337 2.117 -13.802 1.00 1.00 H new ATOM 298 N MET A 27 -9.375 -0.615 -12.426 1.00 1.00 N ATOM 299 CA MET A 27 -10.331 -1.706 -12.155 1.00 1.00 C ATOM 300 C MET A 27 -11.789 -1.173 -11.889 1.00 1.00 C ATOM 301 O MET A 27 -12.654 -1.910 -11.351 1.00 1.00 O ATOM 302 CB MET A 27 -9.827 -2.553 -10.968 1.00 1.00 C ATOM 303 CG MET A 27 -8.837 -3.647 -11.334 1.00 1.00 C ATOM 304 SD MET A 27 -8.386 -4.656 -9.911 1.00 1.00 S ATOM 305 CE MET A 27 -9.574 -5.994 -10.029 1.00 1.00 C ATOM 0 H MET A 27 -9.116 -0.089 -11.591 1.00 1.00 H new ATOM 0 HA MET A 27 -10.389 -2.331 -13.046 1.00 1.00 H new ATOM 0 HB2 MET A 27 -9.360 -1.890 -10.240 1.00 1.00 H new ATOM 0 HB3 MET A 27 -10.686 -3.010 -10.477 1.00 1.00 H new ATOM 0 HG2 MET A 27 -9.269 -4.283 -12.107 1.00 1.00 H new ATOM 0 HG3 MET A 27 -7.939 -3.196 -11.758 1.00 1.00 H new ATOM 0 HE1 MET A 27 -9.414 -6.696 -9.211 1.00 1.00 H new ATOM 0 HE2 MET A 27 -10.584 -5.590 -9.967 1.00 1.00 H new ATOM 0 HE3 MET A 27 -9.447 -6.510 -10.981 1.00 1.00 H new ATOM 315 N LEU A 28 -12.061 0.107 -12.278 1.00 1.00 N ATOM 316 CA LEU A 28 -13.382 0.756 -12.095 1.00 1.00 C ATOM 317 C LEU A 28 -14.295 0.696 -13.373 1.00 1.00 C ATOM 318 O LEU A 28 -15.300 1.442 -13.482 1.00 1.00 O ATOM 319 CB LEU A 28 -13.164 2.228 -11.549 1.00 1.00 C ATOM 320 CG LEU A 28 -13.903 2.705 -10.227 1.00 1.00 C ATOM 321 CD1 LEU A 28 -15.439 2.671 -10.325 1.00 1.00 C ATOM 322 CD2 LEU A 28 -13.433 1.964 -8.958 1.00 1.00 C ATOM 0 H LEU A 28 -11.370 0.710 -12.725 1.00 1.00 H new ATOM 0 HA LEU A 28 -13.943 0.188 -11.353 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -12.094 2.358 -11.386 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -13.451 2.914 -12.346 1.00 1.00 H new ATOM 0 HG LEU A 28 -13.607 3.750 -10.131 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -15.871 3.011 -9.384 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -15.767 3.326 -11.132 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -15.768 1.652 -10.529 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -13.980 2.340 -8.093 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -13.621 0.896 -9.070 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -12.366 2.131 -8.813 1.00 1.00 H new ATOM 334 N ILE A 29 -13.950 -0.241 -14.304 1.00 1.00 N ATOM 335 CA ILE A 29 -14.689 -0.484 -15.590 1.00 1.00 C ATOM 336 C ILE A 29 -15.751 -1.641 -15.449 1.00 1.00 C ATOM 337 O ILE A 29 -16.331 -2.106 -16.463 1.00 1.00 O ATOM 338 CB ILE A 29 -13.746 -0.783 -16.846 1.00 1.00 C ATOM 339 CG1 ILE A 29 -12.209 -0.727 -16.595 1.00 1.00 C ATOM 340 CG2 ILE A 29 -14.097 0.185 -17.960 1.00 1.00 C ATOM 341 CD1 ILE A 29 -11.578 -2.094 -16.423 1.00 1.00 C ATOM 0 H ILE A 29 -13.145 -0.856 -14.186 1.00 1.00 H new ATOM 0 HA ILE A 29 -15.196 0.460 -15.788 1.00 1.00 H new ATOM 0 HB ILE A 29 -13.945 -1.823 -17.103 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -11.730 -0.216 -17.430 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -12.015 -0.131 -15.703 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -13.461 -0.008 -18.824 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -15.141 0.052 -18.242 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -13.941 1.208 -17.616 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -10.507 -1.982 -16.252 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -12.031 -2.599 -15.570 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -11.741 -2.686 -17.324 1.00 1.00 H new ATOM 353 N ILE A 30 -16.039 -2.034 -14.178 1.00 1.00 N ATOM 354 CA ILE A 30 -16.986 -3.137 -13.820 1.00 1.00 C ATOM 355 C ILE A 30 -18.194 -2.529 -13.059 1.00 1.00 C ATOM 356 O ILE A 30 -18.018 -1.626 -12.217 1.00 1.00 O ATOM 357 CB ILE A 30 -16.317 -4.332 -12.957 1.00 1.00 C ATOM 358 CG1 ILE A 30 -14.868 -4.691 -13.404 1.00 1.00 C ATOM 359 CG2 ILE A 30 -17.146 -5.648 -13.030 1.00 1.00 C ATOM 360 CD1 ILE A 30 -13.830 -4.591 -12.303 1.00 1.00 C ATOM 0 H ILE A 30 -15.618 -1.591 -13.361 1.00 1.00 H new ATOM 0 HA ILE A 30 -17.304 -3.601 -14.753 1.00 1.00 H new ATOM 0 HB ILE A 30 -16.298 -3.937 -11.941 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -14.864 -5.707 -13.799 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -14.578 -4.030 -14.221 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -16.657 -6.420 -12.435 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -18.148 -5.469 -12.639 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -17.215 -5.978 -14.067 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -12.851 -4.858 -12.701 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -13.801 -3.570 -11.922 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -14.091 -5.273 -11.494 1.00 1.00 H new ATOM 372 N GLU A 31 -19.404 -3.075 -13.382 1.00 1.00 N ATOM 373 CA GLU A 31 -20.707 -2.679 -12.764 1.00 1.00 C ATOM 374 C GLU A 31 -20.999 -3.405 -11.415 1.00 1.00 C ATOM 375 O GLU A 31 -21.868 -2.947 -10.646 1.00 1.00 O ATOM 376 CB GLU A 31 -21.858 -2.929 -13.761 1.00 1.00 C ATOM 377 CG GLU A 31 -22.096 -1.772 -14.742 1.00 1.00 C ATOM 378 CD GLU A 31 -23.137 -0.774 -14.253 1.00 1.00 C ATOM 379 OE1 GLU A 31 -24.345 -1.081 -14.341 1.00 1.00 O ATOM 380 OE2 GLU A 31 -22.740 0.315 -13.789 1.00 1.00 O ATOM 0 H GLU A 31 -19.503 -3.808 -14.084 1.00 1.00 H new ATOM 0 HA GLU A 31 -20.633 -1.616 -12.533 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -21.643 -3.835 -14.328 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -22.776 -3.113 -13.202 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -21.154 -1.250 -14.913 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -22.415 -2.178 -15.702 1.00 1.00 H new ATOM 387 N ASN A 32 -20.245 -4.524 -11.147 1.00 1.00 N ATOM 388 CA ASN A 32 -20.326 -5.332 -9.897 1.00 1.00 C ATOM 389 C ASN A 32 -19.465 -4.735 -8.742 1.00 1.00 C ATOM 390 O ASN A 32 -19.667 -5.098 -7.568 1.00 1.00 O ATOM 391 CB ASN A 32 -19.894 -6.775 -10.188 1.00 1.00 C ATOM 392 CG ASN A 32 -21.024 -7.614 -10.748 1.00 1.00 C ATOM 393 OD1 ASN A 32 -21.213 -7.692 -11.963 1.00 1.00 O ATOM 394 ND2 ASN A 32 -21.785 -8.248 -9.864 1.00 1.00 N ATOM 0 H ASN A 32 -19.558 -4.887 -11.808 1.00 1.00 H new ATOM 0 HA ASN A 32 -21.363 -5.314 -9.561 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -19.065 -6.768 -10.896 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -19.525 -7.233 -9.270 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -22.562 -8.827 -10.182 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -21.593 -8.156 -8.867 1.00 1.00 H new ATOM 401 N PHE A 33 -18.516 -3.788 -9.105 1.00 1.00 N ATOM 402 CA PHE A 33 -17.581 -3.058 -8.175 1.00 1.00 C ATOM 403 C PHE A 33 -18.315 -2.275 -7.058 1.00 1.00 C ATOM 404 O PHE A 33 -17.804 -2.199 -5.930 1.00 1.00 O ATOM 405 CB PHE A 33 -16.650 -2.118 -8.971 1.00 1.00 C ATOM 406 CG PHE A 33 -15.217 -2.052 -8.448 1.00 1.00 C ATOM 407 CD1 PHE A 33 -14.250 -2.937 -8.919 1.00 1.00 C ATOM 408 CD2 PHE A 33 -14.843 -1.125 -7.476 1.00 1.00 C ATOM 409 CE1 PHE A 33 -12.960 -2.901 -8.437 1.00 1.00 C ATOM 410 CE2 PHE A 33 -13.547 -1.089 -6.995 1.00 1.00 C ATOM 411 CZ PHE A 33 -12.607 -1.980 -7.475 1.00 1.00 C ATOM 0 H PHE A 33 -18.384 -3.511 -10.078 1.00 1.00 H new ATOM 0 HA PHE A 33 -16.985 -3.822 -7.676 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -16.629 -2.444 -10.011 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -17.074 -1.114 -8.960 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -14.516 -3.663 -9.674 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -15.574 -0.427 -7.094 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -12.224 -3.596 -8.814 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -13.270 -0.364 -6.244 1.00 1.00 H new ATOM 0 HZ PHE A 33 -11.596 -1.955 -7.096 1.00 1.00 H new ATOM 421 N GLU A 34 -19.516 -1.705 -7.415 1.00 1.00 N ATOM 422 CA GLU A 34 -20.451 -0.973 -6.478 1.00 1.00 C ATOM 423 C GLU A 34 -20.978 -1.892 -5.320 1.00 1.00 C ATOM 424 O GLU A 34 -21.283 -1.399 -4.220 1.00 1.00 O ATOM 425 CB GLU A 34 -21.651 -0.410 -7.260 1.00 1.00 C ATOM 426 CG GLU A 34 -21.364 0.896 -7.997 1.00 1.00 C ATOM 427 CD GLU A 34 -22.575 1.429 -8.740 1.00 1.00 C ATOM 428 OE1 GLU A 34 -22.774 1.041 -9.911 1.00 1.00 O ATOM 429 OE2 GLU A 34 -23.322 2.241 -8.153 1.00 1.00 O ATOM 0 H GLU A 34 -19.868 -1.740 -8.372 1.00 1.00 H new ATOM 0 HA GLU A 34 -19.878 -0.162 -6.029 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -21.981 -1.156 -7.983 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -22.477 -0.249 -6.568 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -21.024 1.645 -7.282 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -20.550 0.738 -8.704 1.00 1.00 H new ATOM 436 N GLU A 35 -21.069 -3.227 -5.635 1.00 1.00 N ATOM 437 CA GLU A 35 -21.483 -4.316 -4.692 1.00 1.00 C ATOM 438 C GLU A 35 -20.294 -4.881 -3.873 1.00 1.00 C ATOM 439 O GLU A 35 -20.480 -5.261 -2.706 1.00 1.00 O ATOM 440 CB GLU A 35 -22.159 -5.469 -5.450 1.00 1.00 C ATOM 441 CG GLU A 35 -23.627 -5.239 -5.781 1.00 1.00 C ATOM 442 CD GLU A 35 -24.248 -6.428 -6.494 1.00 1.00 C ATOM 443 OE1 GLU A 35 -24.157 -6.489 -7.739 1.00 1.00 O ATOM 444 OE2 GLU A 35 -24.823 -7.298 -5.807 1.00 1.00 O ATOM 0 H GLU A 35 -20.852 -3.578 -6.568 1.00 1.00 H new ATOM 0 HA GLU A 35 -22.189 -3.862 -3.997 1.00 1.00 H new ATOM 0 HB2 GLU A 35 -21.615 -5.644 -6.378 1.00 1.00 H new ATOM 0 HB3 GLU A 35 -22.073 -6.377 -4.854 1.00 1.00 H new ATOM 0 HG2 GLU A 35 -24.178 -5.040 -4.862 1.00 1.00 H new ATOM 0 HG3 GLU A 35 -23.722 -4.352 -6.407 1.00 1.00 H new ATOM 451 N ILE A 36 -19.070 -4.922 -4.514 1.00 1.00 N ATOM 452 CA ILE A 36 -17.770 -5.425 -3.915 1.00 1.00 C ATOM 453 C ILE A 36 -17.233 -4.410 -2.829 1.00 1.00 C ATOM 454 O ILE A 36 -16.719 -4.848 -1.789 1.00 1.00 O ATOM 455 CB ILE A 36 -16.646 -5.770 -5.033 1.00 1.00 C ATOM 456 CG1 ILE A 36 -17.197 -6.752 -6.127 1.00 1.00 C ATOM 457 CG2 ILE A 36 -15.360 -6.426 -4.412 1.00 1.00 C ATOM 458 CD1 ILE A 36 -16.708 -6.532 -7.571 1.00 1.00 C ATOM 0 H ILE A 36 -18.957 -4.602 -5.476 1.00 1.00 H new ATOM 0 HA ILE A 36 -17.989 -6.372 -3.421 1.00 1.00 H new ATOM 0 HB ILE A 36 -16.386 -4.811 -5.481 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -16.937 -7.769 -5.832 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -18.285 -6.687 -6.124 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -14.641 -6.636 -5.203 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -14.915 -5.742 -3.690 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -15.631 -7.356 -3.912 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -17.162 -7.275 -8.226 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -16.992 -5.533 -7.903 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -15.623 -6.632 -7.607 1.00 1.00 H new ATOM 470 N VAL A 37 -17.368 -3.076 -3.124 1.00 1.00 N ATOM 471 CA VAL A 37 -16.927 -1.922 -2.236 1.00 1.00 C ATOM 472 C VAL A 37 -17.646 -1.859 -0.829 1.00 1.00 C ATOM 473 O VAL A 37 -17.154 -1.170 0.082 1.00 1.00 O ATOM 474 CB VAL A 37 -17.037 -0.501 -2.952 1.00 1.00 C ATOM 475 CG1 VAL A 37 -15.946 -0.342 -4.011 1.00 1.00 C ATOM 476 CG2 VAL A 37 -18.422 -0.200 -3.595 1.00 1.00 C ATOM 0 H VAL A 37 -17.791 -2.758 -3.996 1.00 1.00 H new ATOM 0 HA VAL A 37 -15.876 -2.145 -2.052 1.00 1.00 H new ATOM 0 HB VAL A 37 -16.906 0.224 -2.149 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -16.040 0.634 -4.487 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -14.967 -0.423 -3.539 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -16.052 -1.124 -4.763 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -18.402 0.787 -4.057 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -18.642 -0.951 -4.353 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -19.193 -0.224 -2.825 1.00 1.00 H new ATOM 486 N LYS A 38 -18.806 -2.562 -0.731 1.00 1.00 N ATOM 487 CA LYS A 38 -19.636 -2.675 0.502 1.00 1.00 C ATOM 488 C LYS A 38 -19.215 -3.860 1.420 1.00 1.00 C ATOM 489 O LYS A 38 -19.547 -3.849 2.623 1.00 1.00 O ATOM 490 CB LYS A 38 -21.118 -2.829 0.113 1.00 1.00 C ATOM 491 CG LYS A 38 -21.821 -1.517 -0.204 1.00 1.00 C ATOM 492 CD LYS A 38 -23.256 -1.751 -0.640 1.00 1.00 C ATOM 493 CE LYS A 38 -23.966 -0.441 -0.932 1.00 1.00 C ATOM 494 NZ LYS A 38 -25.375 -0.658 -1.359 1.00 1.00 N ATOM 0 H LYS A 38 -19.199 -3.076 -1.520 1.00 1.00 H new ATOM 0 HA LYS A 38 -19.479 -1.760 1.073 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -21.188 -3.484 -0.755 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -21.646 -3.323 0.928 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -21.806 -0.873 0.675 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -21.280 -0.993 -0.992 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -23.270 -2.380 -1.530 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -23.792 -2.291 0.141 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -23.949 0.188 -0.042 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -23.429 0.097 -1.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -25.825 0.260 -1.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -25.391 -1.237 -2.223 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -25.895 -1.149 -0.604 1.00 1.00 H new ATOM 508 N ASP A 39 -18.466 -4.850 0.834 1.00 1.00 N ATOM 509 CA ASP A 39 -17.987 -6.054 1.530 1.00 1.00 C ATOM 510 C ASP A 39 -16.465 -6.252 1.361 1.00 1.00 C ATOM 511 O ASP A 39 -15.958 -6.497 0.240 1.00 1.00 O ATOM 512 CB ASP A 39 -18.762 -7.303 1.036 1.00 1.00 C ATOM 513 CG ASP A 39 -20.028 -7.565 1.829 1.00 1.00 C ATOM 514 OD1 ASP A 39 -19.917 -7.994 2.997 1.00 1.00 O ATOM 515 OD2 ASP A 39 -21.129 -7.347 1.281 1.00 1.00 O ATOM 0 H ASP A 39 -18.185 -4.817 -0.146 1.00 1.00 H new ATOM 0 HA ASP A 39 -18.176 -5.918 2.595 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -19.019 -7.173 -0.015 1.00 1.00 H new ATOM 0 HB3 ASP A 39 -18.112 -8.176 1.100 1.00 1.00 H new ATOM 520 N ARG A 40 -15.730 -6.060 2.504 1.00 1.00 N ATOM 521 CA ARG A 40 -14.234 -6.274 2.631 1.00 1.00 C ATOM 522 C ARG A 40 -13.805 -7.741 2.356 1.00 1.00 C ATOM 523 O ARG A 40 -12.718 -7.967 1.805 1.00 1.00 O ATOM 524 CB ARG A 40 -13.730 -5.860 4.031 1.00 1.00 C ATOM 525 CG ARG A 40 -13.759 -4.342 4.317 1.00 1.00 C ATOM 526 CD ARG A 40 -14.933 -3.991 5.229 1.00 1.00 C ATOM 527 NE ARG A 40 -15.192 -2.532 5.286 1.00 1.00 N ATOM 528 CZ ARG A 40 -16.374 -1.920 5.602 1.00 1.00 C ATOM 529 NH1 ARG A 40 -17.506 -2.590 5.905 1.00 1.00 N ATOM 530 NH2 ARG A 40 -16.416 -0.598 5.610 1.00 1.00 N ATOM 0 H ARG A 40 -16.158 -5.749 3.376 1.00 1.00 H new ATOM 0 HA ARG A 40 -13.780 -5.641 1.868 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -14.335 -6.367 4.782 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -12.707 -6.217 4.152 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -12.823 -4.036 4.785 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -13.841 -3.791 3.380 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -15.829 -4.502 4.876 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -14.731 -4.360 6.234 1.00 1.00 H new ATOM 0 HE ARG A 40 -14.406 -1.920 5.066 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -17.510 -3.610 5.906 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -18.357 -2.076 6.133 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -15.580 -0.060 5.384 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -17.285 -0.117 5.842 1.00 1.00 H new ATOM 544 N GLU A 41 -14.712 -8.711 2.719 1.00 1.00 N ATOM 545 CA GLU A 41 -14.542 -10.179 2.507 1.00 1.00 C ATOM 546 C GLU A 41 -14.604 -10.594 1.006 1.00 1.00 C ATOM 547 O GLU A 41 -13.939 -11.564 0.610 1.00 1.00 O ATOM 548 CB GLU A 41 -15.618 -10.918 3.295 1.00 1.00 C ATOM 549 CG GLU A 41 -15.083 -12.037 4.175 1.00 1.00 C ATOM 550 CD GLU A 41 -16.181 -12.772 4.926 1.00 1.00 C ATOM 551 OE1 GLU A 41 -16.648 -12.249 5.962 1.00 1.00 O ATOM 552 OE2 GLU A 41 -16.573 -13.869 4.479 1.00 1.00 O ATOM 0 H GLU A 41 -15.595 -8.481 3.175 1.00 1.00 H new ATOM 0 HA GLU A 41 -13.546 -10.448 2.860 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -16.152 -10.202 3.920 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -16.344 -11.335 2.596 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -14.533 -12.747 3.557 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -14.374 -11.622 4.892 1.00 1.00 H new ATOM 559 N ARG A 42 -15.424 -9.830 0.205 1.00 1.00 N ATOM 560 CA ARG A 42 -15.591 -10.002 -1.269 1.00 1.00 C ATOM 561 C ARG A 42 -14.464 -9.309 -2.082 1.00 1.00 C ATOM 562 O ARG A 42 -14.097 -9.807 -3.158 1.00 1.00 O ATOM 563 CB ARG A 42 -16.951 -9.463 -1.741 1.00 1.00 C ATOM 564 CG ARG A 42 -18.117 -10.424 -1.549 1.00 1.00 C ATOM 565 CD ARG A 42 -19.422 -9.823 -2.062 1.00 1.00 C ATOM 566 NE ARG A 42 -20.568 -10.755 -1.908 1.00 1.00 N ATOM 567 CZ ARG A 42 -21.886 -10.501 -2.174 1.00 1.00 C ATOM 568 NH1 ARG A 42 -22.343 -9.319 -2.636 1.00 1.00 N ATOM 569 NH2 ARG A 42 -22.768 -11.471 -1.971 1.00 1.00 N ATOM 0 H ARG A 42 -15.991 -9.069 0.579 1.00 1.00 H new ATOM 0 HA ARG A 42 -15.536 -11.075 -1.453 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -17.167 -8.539 -1.204 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -16.878 -9.208 -2.798 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -17.912 -11.357 -2.075 1.00 1.00 H new ATOM 0 HG3 ARG A 42 -18.218 -10.670 -0.492 1.00 1.00 H new ATOM 0 HD2 ARG A 42 -19.632 -8.900 -1.522 1.00 1.00 H new ATOM 0 HD3 ARG A 42 -19.310 -9.559 -3.113 1.00 1.00 H new ATOM 0 HE ARG A 42 -20.348 -11.690 -1.565 1.00 1.00 H new ATOM 0 HH11 ARG A 42 -21.692 -8.552 -2.806 1.00 1.00 H new ATOM 0 HH12 ARG A 42 -23.339 -9.192 -2.815 1.00 1.00 H new ATOM 0 HH21 ARG A 42 -22.457 -12.379 -1.625 1.00 1.00 H new ATOM 0 HH22 ARG A 42 -23.757 -11.309 -2.161 1.00 1.00 H new ATOM 583 N PHE A 43 -13.937 -8.147 -1.540 1.00 1.00 N ATOM 584 CA PHE A 43 -12.844 -7.330 -2.158 1.00 1.00 C ATOM 585 C PHE A 43 -11.443 -8.004 -2.053 1.00 1.00 C ATOM 586 O PHE A 43 -10.734 -8.059 -3.066 1.00 1.00 O ATOM 587 CB PHE A 43 -12.808 -5.901 -1.534 1.00 1.00 C ATOM 588 CG PHE A 43 -12.303 -4.789 -2.456 1.00 1.00 C ATOM 589 CD1 PHE A 43 -10.934 -4.600 -2.681 1.00 1.00 C ATOM 590 CD2 PHE A 43 -13.198 -3.940 -3.098 1.00 1.00 C ATOM 591 CE1 PHE A 43 -10.490 -3.599 -3.520 1.00 1.00 C ATOM 592 CE2 PHE A 43 -12.748 -2.939 -3.937 1.00 1.00 C ATOM 593 CZ PHE A 43 -11.398 -2.771 -4.145 1.00 1.00 C ATOM 0 H PHE A 43 -14.269 -7.760 -0.657 1.00 1.00 H new ATOM 0 HA PHE A 43 -13.076 -7.255 -3.220 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -13.814 -5.644 -1.201 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -12.176 -5.927 -0.646 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -10.218 -5.245 -2.193 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -14.259 -4.065 -2.939 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -9.432 -3.464 -3.687 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -13.455 -2.288 -4.430 1.00 1.00 H new ATOM 0 HZ PHE A 43 -11.048 -1.987 -4.801 1.00 1.00 H new ATOM 603 N LEU A 44 -11.091 -8.536 -0.828 1.00 1.00 N ATOM 604 CA LEU A 44 -9.790 -9.233 -0.530 1.00 1.00 C ATOM 605 C LEU A 44 -9.692 -10.634 -1.195 1.00 1.00 C ATOM 606 O LEU A 44 -8.595 -11.064 -1.582 1.00 1.00 O ATOM 607 CB LEU A 44 -9.587 -9.352 0.988 1.00 1.00 C ATOM 608 CG LEU A 44 -9.043 -8.093 1.678 1.00 1.00 C ATOM 609 CD1 LEU A 44 -9.811 -7.812 2.958 1.00 1.00 C ATOM 610 CD2 LEU A 44 -7.554 -8.230 1.978 1.00 1.00 C ATOM 0 H LEU A 44 -11.709 -8.490 -0.018 1.00 1.00 H new ATOM 0 HA LEU A 44 -8.997 -8.621 -0.960 1.00 1.00 H new ATOM 0 HB2 LEU A 44 -10.541 -9.614 1.446 1.00 1.00 H new ATOM 0 HB3 LEU A 44 -8.902 -10.178 1.183 1.00 1.00 H new ATOM 0 HG LEU A 44 -9.178 -7.254 0.995 1.00 1.00 H new ATOM 0 HD11 LEU A 44 -9.411 -6.916 3.433 1.00 1.00 H new ATOM 0 HD12 LEU A 44 -10.865 -7.659 2.724 1.00 1.00 H new ATOM 0 HD13 LEU A 44 -9.709 -8.659 3.637 1.00 1.00 H new ATOM 0 HD21 LEU A 44 -7.196 -7.324 2.466 1.00 1.00 H new ATOM 0 HD22 LEU A 44 -7.392 -9.084 2.635 1.00 1.00 H new ATOM 0 HD23 LEU A 44 -7.008 -8.380 1.047 1.00 1.00 H new ATOM 622 N ALA A 45 -10.885 -11.315 -1.302 1.00 1.00 N ATOM 623 CA ALA A 45 -11.078 -12.647 -1.957 1.00 1.00 C ATOM 624 C ALA A 45 -10.901 -12.589 -3.501 1.00 1.00 C ATOM 625 O ALA A 45 -10.427 -13.566 -4.095 1.00 1.00 O ATOM 626 CB ALA A 45 -12.448 -13.210 -1.616 1.00 1.00 C ATOM 0 H ALA A 45 -11.754 -10.938 -0.924 1.00 1.00 H new ATOM 0 HA ALA A 45 -10.301 -13.304 -1.567 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -12.574 -14.179 -2.099 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -12.534 -13.329 -0.536 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -13.220 -12.526 -1.968 1.00 1.00 H new ATOM 632 N GLN A 46 -11.296 -11.417 -4.117 1.00 1.00 N ATOM 633 CA GLN A 46 -11.167 -11.136 -5.579 1.00 1.00 C ATOM 634 C GLN A 46 -9.732 -10.732 -5.990 1.00 1.00 C ATOM 635 O GLN A 46 -9.292 -11.122 -7.068 1.00 1.00 O ATOM 636 CB GLN A 46 -12.145 -10.047 -6.010 1.00 1.00 C ATOM 637 CG GLN A 46 -13.352 -10.586 -6.756 1.00 1.00 C ATOM 638 CD GLN A 46 -14.348 -9.507 -7.112 1.00 1.00 C ATOM 639 OE1 GLN A 46 -15.108 -9.050 -6.263 1.00 1.00 O ATOM 640 NE2 GLN A 46 -14.342 -9.088 -8.372 1.00 1.00 N ATOM 0 H GLN A 46 -11.714 -10.644 -3.600 1.00 1.00 H new ATOM 0 HA GLN A 46 -11.405 -12.069 -6.089 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -12.484 -9.503 -5.128 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -11.624 -9.331 -6.645 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -13.019 -11.082 -7.668 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -13.845 -11.342 -6.144 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -13.692 -9.498 -9.043 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -14.988 -8.356 -8.669 1.00 1.00 H new ATOM 649 N VAL A 47 -9.004 -9.976 -5.083 1.00 1.00 N ATOM 650 CA VAL A 47 -7.567 -9.518 -5.280 1.00 1.00 C ATOM 651 C VAL A 47 -6.604 -10.779 -5.214 1.00 1.00 C ATOM 652 O VAL A 47 -5.668 -10.871 -6.020 1.00 1.00 O ATOM 653 CB VAL A 47 -7.132 -8.339 -4.249 1.00 1.00 C ATOM 654 CG1 VAL A 47 -5.680 -7.812 -4.446 1.00 1.00 C ATOM 655 CG2 VAL A 47 -8.055 -7.115 -4.328 1.00 1.00 C ATOM 0 H VAL A 47 -9.398 -9.667 -4.194 1.00 1.00 H new ATOM 0 HA VAL A 47 -7.480 -9.065 -6.267 1.00 1.00 H new ATOM 0 HB VAL A 47 -7.208 -8.829 -3.279 1.00 1.00 H new ATOM 0 HG11 VAL A 47 -5.475 -7.028 -3.717 1.00 1.00 H new ATOM 0 HG12 VAL A 47 -4.974 -8.631 -4.307 1.00 1.00 H new ATOM 0 HG13 VAL A 47 -5.573 -7.408 -5.453 1.00 1.00 H new ATOM 0 HG21 VAL A 47 -7.718 -6.359 -3.619 1.00 1.00 H new ATOM 0 HG22 VAL A 47 -8.028 -6.703 -5.337 1.00 1.00 H new ATOM 0 HG23 VAL A 47 -9.075 -7.412 -4.085 1.00 1.00 H new ATOM 665 N GLU A 48 -6.902 -11.717 -4.251 1.00 1.00 N ATOM 666 CA GLU A 48 -6.142 -12.996 -4.004 1.00 1.00 C ATOM 667 C GLU A 48 -6.410 -14.101 -5.085 1.00 1.00 C ATOM 668 O GLU A 48 -5.547 -14.972 -5.278 1.00 1.00 O ATOM 669 CB GLU A 48 -6.493 -13.574 -2.611 1.00 1.00 C ATOM 670 CG GLU A 48 -5.949 -12.774 -1.416 1.00 1.00 C ATOM 671 CD GLU A 48 -6.125 -13.478 -0.076 1.00 1.00 C ATOM 672 OE1 GLU A 48 -5.422 -14.484 0.175 1.00 1.00 O ATOM 673 OE2 GLU A 48 -6.950 -13.006 0.736 1.00 1.00 O ATOM 0 H GLU A 48 -7.691 -11.603 -3.614 1.00 1.00 H new ATOM 0 HA GLU A 48 -5.087 -12.727 -4.059 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -7.578 -13.636 -2.523 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -6.110 -14.593 -2.551 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -4.889 -12.575 -1.575 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -6.452 -11.808 -1.378 1.00 1.00 H new ATOM 680 N GLU A 49 -7.608 -14.027 -5.746 1.00 1.00 N ATOM 681 CA GLU A 49 -8.054 -14.977 -6.814 1.00 1.00 C ATOM 682 C GLU A 49 -7.736 -14.488 -8.248 1.00 1.00 C ATOM 683 O GLU A 49 -7.597 -15.335 -9.154 1.00 1.00 O ATOM 684 CB GLU A 49 -9.565 -15.245 -6.708 1.00 1.00 C ATOM 685 CG GLU A 49 -9.956 -16.245 -5.628 1.00 1.00 C ATOM 686 CD GLU A 49 -11.449 -16.507 -5.589 1.00 1.00 C ATOM 687 OE1 GLU A 49 -12.168 -15.747 -4.906 1.00 1.00 O ATOM 688 OE2 GLU A 49 -11.900 -17.473 -6.239 1.00 1.00 O ATOM 0 H GLU A 49 -8.295 -13.300 -5.549 1.00 1.00 H new ATOM 0 HA GLU A 49 -7.489 -15.893 -6.644 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -10.075 -14.302 -6.514 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -9.925 -15.610 -7.670 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -9.430 -17.184 -5.800 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -9.631 -15.871 -4.657 1.00 1.00 H new ATOM 695 N PHE A 50 -7.615 -13.139 -8.426 1.00 1.00 N ATOM 696 CA PHE A 50 -7.329 -12.505 -9.715 1.00 1.00 C ATOM 697 C PHE A 50 -5.891 -12.014 -9.787 1.00 1.00 C ATOM 698 O PHE A 50 -5.339 -11.515 -8.786 1.00 1.00 O ATOM 699 CB PHE A 50 -8.298 -11.333 -9.966 1.00 1.00 C ATOM 700 CG PHE A 50 -9.655 -11.718 -10.520 1.00 1.00 C ATOM 701 CD1 PHE A 50 -9.869 -11.781 -11.894 1.00 1.00 C ATOM 702 CD2 PHE A 50 -10.718 -12.002 -9.670 1.00 1.00 C ATOM 703 CE1 PHE A 50 -11.107 -12.123 -12.402 1.00 1.00 C ATOM 704 CE2 PHE A 50 -11.958 -12.346 -10.177 1.00 1.00 C ATOM 705 CZ PHE A 50 -12.152 -12.407 -11.544 1.00 1.00 C ATOM 0 H PHE A 50 -7.717 -12.471 -7.662 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.469 -13.258 -10.491 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.446 -10.799 -9.027 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.826 -10.636 -10.659 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -9.057 -11.560 -12.571 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -10.574 -11.953 -8.601 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -11.258 -12.168 -13.470 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -12.774 -12.567 -9.505 1.00 1.00 H new ATOM 0 HZ PHE A 50 -13.120 -12.676 -11.941 1.00 1.00 H new ATOM 715 N VAL A 51 -5.315 -12.152 -11.008 1.00 1.00 N ATOM 716 CA VAL A 51 -3.938 -11.743 -11.350 1.00 1.00 C ATOM 717 C VAL A 51 -3.886 -10.279 -11.850 1.00 1.00 C ATOM 718 O VAL A 51 -4.889 -9.768 -12.395 1.00 1.00 O ATOM 719 CB VAL A 51 -3.222 -12.695 -12.390 1.00 1.00 C ATOM 720 CG1 VAL A 51 -2.538 -13.839 -11.667 1.00 1.00 C ATOM 721 CG2 VAL A 51 -4.109 -13.273 -13.525 1.00 1.00 C ATOM 0 H VAL A 51 -5.812 -12.562 -11.799 1.00 1.00 H new ATOM 0 HA VAL A 51 -3.382 -11.826 -10.416 1.00 1.00 H new ATOM 0 HB VAL A 51 -2.508 -12.042 -12.892 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -2.049 -14.488 -12.393 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -1.794 -13.441 -10.977 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -3.279 -14.412 -11.110 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -3.504 -13.909 -14.171 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -4.918 -13.861 -13.091 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -4.529 -12.455 -14.111 1.00 1.00 H new ATOM 731 N PHE A 52 -2.705 -9.656 -11.660 1.00 1.00 N ATOM 732 CA PHE A 52 -2.450 -8.254 -12.042 1.00 1.00 C ATOM 733 C PHE A 52 -1.235 -8.167 -12.952 1.00 1.00 C ATOM 734 O PHE A 52 -0.248 -8.910 -12.766 1.00 1.00 O ATOM 735 CB PHE A 52 -2.254 -7.347 -10.795 1.00 1.00 C ATOM 736 CG PHE A 52 -3.456 -7.239 -9.866 1.00 1.00 C ATOM 737 CD1 PHE A 52 -4.454 -6.300 -10.091 1.00 1.00 C ATOM 738 CD2 PHE A 52 -3.580 -8.089 -8.776 1.00 1.00 C ATOM 739 CE1 PHE A 52 -5.542 -6.215 -9.249 1.00 1.00 C ATOM 740 CE2 PHE A 52 -4.671 -8.005 -7.933 1.00 1.00 C ATOM 741 CZ PHE A 52 -5.652 -7.068 -8.171 1.00 1.00 C ATOM 0 H PHE A 52 -1.899 -10.114 -11.235 1.00 1.00 H new ATOM 0 HA PHE A 52 -3.326 -7.893 -12.581 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -1.407 -7.725 -10.222 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -1.988 -6.346 -11.134 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -4.377 -5.630 -10.934 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -2.814 -8.826 -8.584 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.310 -5.479 -9.434 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.755 -8.673 -7.089 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.507 -7.001 -7.514 1.00 1.00 H new ATOM 751 N LYS A 53 -1.329 -7.220 -13.916 1.00 1.00 N ATOM 752 CA LYS A 53 -0.284 -6.949 -14.927 1.00 1.00 C ATOM 753 C LYS A 53 0.627 -5.811 -14.482 1.00 1.00 C ATOM 754 O LYS A 53 0.142 -4.811 -13.910 1.00 1.00 O ATOM 755 CB LYS A 53 -0.913 -6.604 -16.281 1.00 1.00 C ATOM 756 CG LYS A 53 -1.266 -7.818 -17.126 1.00 1.00 C ATOM 757 CD LYS A 53 -1.952 -7.413 -18.418 1.00 1.00 C ATOM 758 CE LYS A 53 -2.290 -8.625 -19.268 1.00 1.00 C ATOM 759 NZ LYS A 53 -2.970 -8.241 -20.535 1.00 1.00 N ATOM 0 H LYS A 53 -2.145 -6.616 -14.013 1.00 1.00 H new ATOM 0 HA LYS A 53 0.313 -7.855 -15.033 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -1.816 -6.017 -16.112 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -0.223 -5.973 -16.841 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -0.360 -8.380 -17.354 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -1.919 -8.481 -16.558 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -2.864 -6.861 -18.190 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -1.304 -6.741 -18.981 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -1.377 -9.174 -19.498 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -2.932 -9.299 -18.701 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -3.184 -9.096 -21.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -3.855 -7.740 -20.316 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -2.347 -7.619 -21.088 1.00 1.00 H new ATOM 773 N CYS A 54 1.947 -5.991 -14.755 1.00 1.00 N ATOM 774 CA CYS A 54 2.986 -5.018 -14.397 1.00 1.00 C ATOM 775 C CYS A 54 3.265 -4.005 -15.566 1.00 1.00 C ATOM 776 O CYS A 54 3.437 -4.486 -16.707 1.00 1.00 O ATOM 777 CB CYS A 54 4.285 -5.724 -13.987 1.00 1.00 C ATOM 778 SG CYS A 54 5.519 -4.615 -13.221 1.00 1.00 S ATOM 0 H CYS A 54 2.309 -6.818 -15.230 1.00 1.00 H new ATOM 0 HA CYS A 54 2.612 -4.452 -13.544 1.00 1.00 H new ATOM 0 HB2 CYS A 54 4.047 -6.525 -13.287 1.00 1.00 H new ATOM 0 HB3 CYS A 54 4.727 -6.191 -14.867 1.00 1.00 H new ATOM 783 N PRO A 55 3.292 -2.585 -15.348 1.00 1.00 N ATOM 784 CA PRO A 55 3.615 -1.593 -16.449 1.00 1.00 C ATOM 785 C PRO A 55 5.130 -1.549 -16.854 1.00 1.00 C ATOM 786 O PRO A 55 5.482 -0.909 -17.866 1.00 1.00 O ATOM 787 CB PRO A 55 3.211 -0.217 -15.856 1.00 1.00 C ATOM 788 CG PRO A 55 2.438 -0.527 -14.613 1.00 1.00 C ATOM 789 CD PRO A 55 3.022 -1.804 -14.084 1.00 1.00 C ATOM 0 HA PRO A 55 3.087 -1.873 -17.361 1.00 1.00 H new ATOM 0 HB2 PRO A 55 4.090 0.386 -15.631 1.00 1.00 H new ATOM 0 HB3 PRO A 55 2.606 0.352 -16.562 1.00 1.00 H new ATOM 0 HG2 PRO A 55 2.529 0.278 -13.884 1.00 1.00 H new ATOM 0 HG3 PRO A 55 1.376 -0.642 -14.830 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.933 -1.628 -13.513 1.00 1.00 H new ATOM 0 HD3 PRO A 55 2.328 -2.325 -13.425 1.00 1.00 H new ATOM 797 N VAL A 56 5.979 -2.271 -16.058 1.00 1.00 N ATOM 798 CA VAL A 56 7.465 -2.297 -16.199 1.00 1.00 C ATOM 799 C VAL A 56 7.914 -3.560 -16.994 1.00 1.00 C ATOM 800 O VAL A 56 8.615 -3.406 -18.013 1.00 1.00 O ATOM 801 CB VAL A 56 8.228 -2.205 -14.779 1.00 1.00 C ATOM 802 CG1 VAL A 56 9.643 -1.614 -14.907 1.00 1.00 C ATOM 803 CG2 VAL A 56 7.475 -1.377 -13.708 1.00 1.00 C ATOM 0 H VAL A 56 5.643 -2.856 -15.293 1.00 1.00 H new ATOM 0 HA VAL A 56 7.749 -1.407 -16.760 1.00 1.00 H new ATOM 0 HB VAL A 56 8.275 -3.244 -14.452 1.00 1.00 H new ATOM 0 HG11 VAL A 56 10.111 -1.575 -13.923 1.00 1.00 H new ATOM 0 HG12 VAL A 56 10.241 -2.241 -15.569 1.00 1.00 H new ATOM 0 HG13 VAL A 56 9.581 -0.607 -15.320 1.00 1.00 H new ATOM 0 HG21 VAL A 56 8.054 -1.364 -12.784 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.340 -0.356 -14.066 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.500 -1.827 -13.519 1.00 1.00 H new ATOM 813 N CYS A 57 7.505 -4.778 -16.514 1.00 1.00 N ATOM 814 CA CYS A 57 7.858 -6.067 -17.159 1.00 1.00 C ATOM 815 C CYS A 57 6.715 -6.585 -18.065 1.00 1.00 C ATOM 816 O CYS A 57 6.980 -6.893 -19.244 1.00 1.00 O ATOM 817 CB CYS A 57 8.311 -7.110 -16.104 1.00 1.00 C ATOM 818 SG CYS A 57 7.090 -7.498 -14.797 1.00 1.00 S ATOM 0 H CYS A 57 6.929 -4.883 -15.679 1.00 1.00 H new ATOM 0 HA CYS A 57 8.709 -5.895 -17.818 1.00 1.00 H new ATOM 0 HB2 CYS A 57 8.568 -8.034 -16.621 1.00 1.00 H new ATOM 0 HB3 CYS A 57 9.222 -6.746 -15.628 1.00 1.00 H new ATOM 823 N GLY A 58 5.475 -6.674 -17.497 1.00 1.00 N ATOM 824 CA GLY A 58 4.270 -7.113 -18.240 1.00 1.00 C ATOM 825 C GLY A 58 3.837 -8.561 -17.965 1.00 1.00 C ATOM 826 O GLY A 58 3.189 -9.175 -18.837 1.00 1.00 O ATOM 0 H GLY A 58 5.292 -6.444 -16.520 1.00 1.00 H new ATOM 0 HA2 GLY A 58 3.444 -6.448 -17.990 1.00 1.00 H new ATOM 0 HA3 GLY A 58 4.458 -7.001 -19.308 1.00 1.00 H new ATOM 830 N GLU A 59 4.211 -9.087 -16.769 1.00 1.00 N ATOM 831 CA GLU A 59 3.873 -10.448 -16.310 1.00 1.00 C ATOM 832 C GLU A 59 2.782 -10.412 -15.238 1.00 1.00 C ATOM 833 O GLU A 59 2.717 -9.453 -14.440 1.00 1.00 O ATOM 834 CB GLU A 59 5.119 -11.153 -15.760 1.00 1.00 C ATOM 835 CG GLU A 59 5.721 -12.189 -16.709 1.00 1.00 C ATOM 836 CD GLU A 59 6.852 -12.991 -16.083 1.00 1.00 C ATOM 837 OE1 GLU A 59 6.570 -13.869 -15.236 1.00 1.00 O ATOM 838 OE2 GLU A 59 8.022 -12.738 -16.438 1.00 1.00 O ATOM 0 H GLU A 59 4.764 -8.564 -16.091 1.00 1.00 H new ATOM 0 HA GLU A 59 3.497 -11.005 -17.168 1.00 1.00 H new ATOM 0 HB2 GLU A 59 5.876 -10.403 -15.531 1.00 1.00 H new ATOM 0 HB3 GLU A 59 4.861 -11.643 -14.821 1.00 1.00 H new ATOM 0 HG2 GLU A 59 4.937 -12.872 -17.035 1.00 1.00 H new ATOM 0 HG3 GLU A 59 6.093 -11.683 -17.600 1.00 1.00 H new ATOM 845 N GLU A 60 1.936 -11.489 -15.229 1.00 1.00 N ATOM 846 CA GLU A 60 0.809 -11.665 -14.279 1.00 1.00 C ATOM 847 C GLU A 60 1.262 -12.267 -12.937 1.00 1.00 C ATOM 848 O GLU A 60 2.041 -13.240 -12.906 1.00 1.00 O ATOM 849 CB GLU A 60 -0.260 -12.550 -14.935 1.00 1.00 C ATOM 850 CG GLU A 60 -1.281 -11.758 -15.759 1.00 1.00 C ATOM 851 CD GLU A 60 -2.018 -12.605 -16.791 1.00 1.00 C ATOM 852 OE1 GLU A 60 -2.862 -13.440 -16.400 1.00 1.00 O ATOM 853 OE2 GLU A 60 -1.760 -12.414 -17.999 1.00 1.00 O ATOM 0 H GLU A 60 2.025 -12.261 -15.890 1.00 1.00 H new ATOM 0 HA GLU A 60 0.396 -10.682 -14.053 1.00 1.00 H new ATOM 0 HB2 GLU A 60 0.229 -13.280 -15.580 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -0.784 -13.109 -14.160 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -2.009 -11.307 -15.085 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -0.770 -10.942 -16.269 1.00 1.00 H new ATOM 860 N PHE A 61 0.748 -11.639 -11.855 1.00 1.00 N ATOM 861 CA PHE A 61 1.030 -12.003 -10.445 1.00 1.00 C ATOM 862 C PHE A 61 -0.286 -12.070 -9.650 1.00 1.00 C ATOM 863 O PHE A 61 -1.216 -11.290 -9.928 1.00 1.00 O ATOM 864 CB PHE A 61 2.077 -11.027 -9.777 1.00 1.00 C ATOM 865 CG PHE A 61 1.768 -9.522 -9.820 1.00 1.00 C ATOM 866 CD1 PHE A 61 2.192 -8.743 -10.883 1.00 1.00 C ATOM 867 CD2 PHE A 61 1.044 -8.925 -8.800 1.00 1.00 C ATOM 868 CE1 PHE A 61 1.902 -7.394 -10.927 1.00 1.00 C ATOM 869 CE2 PHE A 61 0.751 -7.575 -8.838 1.00 1.00 C ATOM 870 CZ PHE A 61 1.182 -6.809 -9.904 1.00 1.00 C ATOM 0 H PHE A 61 0.111 -10.847 -11.938 1.00 1.00 H new ATOM 0 HA PHE A 61 1.491 -12.991 -10.432 1.00 1.00 H new ATOM 0 HB2 PHE A 61 2.190 -11.318 -8.733 1.00 1.00 H new ATOM 0 HB3 PHE A 61 3.042 -11.187 -10.259 1.00 1.00 H new ATOM 0 HD1 PHE A 61 2.755 -9.195 -11.686 1.00 1.00 H new ATOM 0 HD2 PHE A 61 0.705 -9.522 -7.966 1.00 1.00 H new ATOM 0 HE1 PHE A 61 2.238 -6.796 -11.761 1.00 1.00 H new ATOM 0 HE2 PHE A 61 0.187 -7.120 -8.037 1.00 1.00 H new ATOM 0 HZ PHE A 61 0.956 -5.753 -9.937 1.00 1.00 H new ATOM 880 N TYR A 62 -0.320 -12.968 -8.640 1.00 1.00 N ATOM 881 CA TYR A 62 -1.507 -13.192 -7.780 1.00 1.00 C ATOM 882 C TYR A 62 -1.467 -12.358 -6.486 1.00 1.00 C ATOM 883 O TYR A 62 -0.378 -12.042 -5.981 1.00 1.00 O ATOM 884 CB TYR A 62 -1.646 -14.699 -7.454 1.00 1.00 C ATOM 885 CG TYR A 62 -2.136 -15.568 -8.611 1.00 1.00 C ATOM 886 CD1 TYR A 62 -3.499 -15.744 -8.867 1.00 1.00 C ATOM 887 CD2 TYR A 62 -1.232 -16.229 -9.437 1.00 1.00 C ATOM 888 CE1 TYR A 62 -3.937 -16.544 -9.905 1.00 1.00 C ATOM 889 CE2 TYR A 62 -1.666 -17.035 -10.476 1.00 1.00 C ATOM 890 CZ TYR A 62 -3.017 -17.189 -10.705 1.00 1.00 C ATOM 891 OH TYR A 62 -3.448 -17.990 -11.737 1.00 1.00 O ATOM 0 H TYR A 62 0.475 -13.559 -8.397 1.00 1.00 H new ATOM 0 HA TYR A 62 -2.381 -12.859 -8.339 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -0.678 -15.074 -7.122 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -2.335 -14.812 -6.617 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -4.224 -15.245 -8.241 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -0.172 -16.111 -9.265 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -4.994 -16.664 -10.089 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -0.949 -17.541 -11.105 1.00 1.00 H new ATOM 0 HH TYR A 62 -2.673 -18.369 -12.203 1.00 1.00 H new ATOM 901 N GLY A 63 -2.696 -11.995 -5.988 1.00 1.00 N ATOM 902 CA GLY A 63 -2.888 -11.218 -4.727 1.00 1.00 C ATOM 903 C GLY A 63 -2.723 -12.058 -3.434 1.00 1.00 C ATOM 904 O GLY A 63 -2.690 -11.488 -2.327 1.00 1.00 O ATOM 0 H GLY A 63 -3.572 -12.235 -6.452 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -2.173 -10.396 -4.707 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -3.884 -10.774 -4.734 1.00 1.00 H new ATOM 908 N LYS A 64 -2.625 -13.414 -3.625 1.00 1.00 N ATOM 909 CA LYS A 64 -2.414 -14.420 -2.551 1.00 1.00 C ATOM 910 C LYS A 64 -0.902 -14.563 -2.143 1.00 1.00 C ATOM 911 O LYS A 64 -0.617 -15.093 -1.053 1.00 1.00 O ATOM 912 CB LYS A 64 -2.986 -15.783 -2.992 1.00 1.00 C ATOM 913 CG LYS A 64 -3.710 -16.545 -1.880 1.00 1.00 C ATOM 914 CD LYS A 64 -4.382 -17.803 -2.397 1.00 1.00 C ATOM 915 CE LYS A 64 -5.107 -18.529 -1.277 1.00 1.00 C ATOM 916 NZ LYS A 64 -5.770 -19.772 -1.756 1.00 1.00 N ATOM 0 H LYS A 64 -2.693 -13.836 -4.551 1.00 1.00 H new ATOM 0 HA LYS A 64 -2.944 -14.068 -1.666 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -3.678 -15.624 -3.819 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -2.172 -16.401 -3.371 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -2.998 -16.810 -1.099 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -4.457 -15.896 -1.423 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -5.089 -17.545 -3.186 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -3.636 -18.463 -2.841 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -4.398 -18.778 -0.487 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -5.853 -17.866 -0.838 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -6.253 -20.237 -0.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -6.465 -19.533 -2.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -5.056 -20.416 -2.151 1.00 1.00 H new ATOM 930 N THR A 65 0.025 -14.064 -3.026 1.00 1.00 N ATOM 931 CA THR A 65 1.507 -14.083 -2.798 1.00 1.00 C ATOM 932 C THR A 65 2.013 -12.782 -2.091 1.00 1.00 C ATOM 933 O THR A 65 3.203 -12.706 -1.710 1.00 1.00 O ATOM 934 CB THR A 65 2.314 -14.287 -4.126 1.00 1.00 C ATOM 935 OG1 THR A 65 1.826 -13.425 -5.158 1.00 1.00 O ATOM 936 CG2 THR A 65 2.261 -15.735 -4.609 1.00 1.00 C ATOM 0 H THR A 65 -0.238 -13.638 -3.915 1.00 1.00 H new ATOM 0 HA THR A 65 1.686 -14.936 -2.144 1.00 1.00 H new ATOM 0 HB THR A 65 3.351 -14.036 -3.904 1.00 1.00 H new ATOM 0 HG1 THR A 65 2.345 -13.568 -5.977 1.00 1.00 H new ATOM 0 HG21 THR A 65 2.833 -15.832 -5.532 1.00 1.00 H new ATOM 0 HG22 THR A 65 2.687 -16.388 -3.848 1.00 1.00 H new ATOM 0 HG23 THR A 65 1.225 -16.020 -4.793 1.00 1.00 H new ATOM 944 N LEU A 66 1.079 -11.780 -1.889 1.00 1.00 N ATOM 945 CA LEU A 66 1.358 -10.480 -1.226 1.00 1.00 C ATOM 946 C LEU A 66 1.254 -10.586 0.338 1.00 1.00 C ATOM 947 O LEU A 66 0.387 -11.351 0.801 1.00 1.00 O ATOM 948 CB LEU A 66 0.371 -9.399 -1.719 1.00 1.00 C ATOM 949 CG LEU A 66 0.862 -8.461 -2.838 1.00 1.00 C ATOM 950 CD1 LEU A 66 0.127 -8.749 -4.140 1.00 1.00 C ATOM 951 CD2 LEU A 66 0.660 -7.005 -2.430 1.00 1.00 C ATOM 0 H LEU A 66 0.109 -11.871 -2.191 1.00 1.00 H new ATOM 0 HA LEU A 66 2.379 -10.203 -1.489 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -0.532 -9.899 -2.068 1.00 1.00 H new ATOM 0 HB3 LEU A 66 0.085 -8.786 -0.864 1.00 1.00 H new ATOM 0 HG LEU A 66 1.926 -8.639 -2.996 1.00 1.00 H new ATOM 0 HD11 LEU A 66 0.488 -8.076 -4.918 1.00 1.00 H new ATOM 0 HD12 LEU A 66 0.309 -9.781 -4.440 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -0.943 -8.596 -3.996 1.00 1.00 H new ATOM 0 HD21 LEU A 66 1.011 -6.351 -3.229 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -0.399 -6.821 -2.249 1.00 1.00 H new ATOM 0 HD23 LEU A 66 1.224 -6.801 -1.520 1.00 1.00 H new ATOM 963 N PRO A 67 2.108 -9.821 1.205 1.00 1.00 N ATOM 964 CA PRO A 67 2.037 -9.903 2.717 1.00 1.00 C ATOM 965 C PRO A 67 0.704 -9.379 3.336 1.00 1.00 C ATOM 966 O PRO A 67 -0.022 -8.620 2.671 1.00 1.00 O ATOM 967 CB PRO A 67 3.243 -9.044 3.184 1.00 1.00 C ATOM 968 CG PRO A 67 3.534 -8.100 2.046 1.00 1.00 C ATOM 969 CD PRO A 67 3.229 -8.884 0.798 1.00 1.00 C ATOM 0 HA PRO A 67 2.071 -10.941 3.047 1.00 1.00 H new ATOM 0 HB2 PRO A 67 3.004 -8.497 4.096 1.00 1.00 H new ATOM 0 HB3 PRO A 67 4.108 -9.670 3.405 1.00 1.00 H new ATOM 0 HG2 PRO A 67 2.916 -7.204 2.109 1.00 1.00 H new ATOM 0 HG3 PRO A 67 4.574 -7.772 2.062 1.00 1.00 H new ATOM 0 HD2 PRO A 67 2.923 -8.229 -0.018 1.00 1.00 H new ATOM 0 HD3 PRO A 67 4.103 -9.436 0.452 1.00 1.00 H new ATOM 977 N ARG A 68 0.411 -9.806 4.612 1.00 1.00 N ATOM 978 CA ARG A 68 -0.814 -9.390 5.394 1.00 1.00 C ATOM 979 C ARG A 68 -0.882 -7.863 5.686 1.00 1.00 C ATOM 980 O ARG A 68 -1.987 -7.305 5.796 1.00 1.00 O ATOM 981 CB ARG A 68 -0.940 -10.187 6.697 1.00 1.00 C ATOM 982 CG ARG A 68 -1.527 -11.582 6.512 1.00 1.00 C ATOM 983 CD ARG A 68 -1.586 -12.341 7.828 1.00 1.00 C ATOM 984 NE ARG A 68 -2.214 -13.676 7.676 1.00 1.00 N ATOM 985 CZ ARG A 68 -2.396 -14.620 8.649 1.00 1.00 C ATOM 986 NH1 ARG A 68 -2.014 -14.453 9.931 1.00 1.00 N ATOM 987 NH2 ARG A 68 -2.980 -15.763 8.318 1.00 1.00 N ATOM 0 H ARG A 68 1.015 -10.447 5.127 1.00 1.00 H new ATOM 0 HA ARG A 68 -1.662 -9.621 4.749 1.00 1.00 H new ATOM 0 HB2 ARG A 68 0.045 -10.276 7.154 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -1.566 -9.629 7.394 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -2.529 -11.503 6.091 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -0.924 -12.140 5.796 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -0.577 -12.459 8.223 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -2.148 -11.758 8.557 1.00 1.00 H new ATOM 0 HE ARG A 68 -2.547 -13.917 6.742 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -1.562 -13.585 10.220 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -2.177 -15.194 10.612 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -3.282 -15.922 7.357 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -3.128 -16.484 9.025 1.00 1.00 H new ATOM 1001 N ARG A 69 0.331 -7.214 5.815 1.00 1.00 N ATOM 1002 CA ARG A 69 0.516 -5.724 6.014 1.00 1.00 C ATOM 1003 C ARG A 69 -0.096 -4.873 4.856 1.00 1.00 C ATOM 1004 O ARG A 69 -0.647 -3.789 5.122 1.00 1.00 O ATOM 1005 CB ARG A 69 2.014 -5.376 6.164 1.00 1.00 C ATOM 1006 CG ARG A 69 2.640 -5.775 7.496 1.00 1.00 C ATOM 1007 CD ARG A 69 4.128 -5.458 7.522 1.00 1.00 C ATOM 1008 NE ARG A 69 4.749 -5.813 8.821 1.00 1.00 N ATOM 1009 CZ ARG A 69 6.073 -5.734 9.154 1.00 1.00 C ATOM 1010 NH1 ARG A 69 7.032 -5.319 8.305 1.00 1.00 N ATOM 1011 NH2 ARG A 69 6.436 -6.088 10.379 1.00 1.00 N ATOM 0 H ARG A 69 1.218 -7.717 5.783 1.00 1.00 H new ATOM 0 HA ARG A 69 -0.021 -5.472 6.928 1.00 1.00 H new ATOM 0 HB2 ARG A 69 2.566 -5.863 5.360 1.00 1.00 H new ATOM 0 HB3 ARG A 69 2.137 -4.301 6.030 1.00 1.00 H new ATOM 0 HG2 ARG A 69 2.139 -5.248 8.308 1.00 1.00 H new ATOM 0 HG3 ARG A 69 2.490 -6.841 7.667 1.00 1.00 H new ATOM 0 HD2 ARG A 69 4.628 -6.001 6.720 1.00 1.00 H new ATOM 0 HD3 ARG A 69 4.276 -4.396 7.328 1.00 1.00 H new ATOM 0 HE ARG A 69 4.119 -6.154 9.547 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.787 -5.042 7.355 1.00 1.00 H new ATOM 0 HH12 ARG A 69 8.004 -5.282 8.612 1.00 1.00 H new ATOM 0 HH21 ARG A 69 5.734 -6.409 11.046 1.00 1.00 H new ATOM 0 HH22 ARG A 69 7.417 -6.039 10.654 1.00 1.00 H new ATOM 1025 N GLU A 70 0.031 -5.391 3.582 1.00 1.00 N ATOM 1026 CA GLU A 70 -0.570 -4.794 2.350 1.00 1.00 C ATOM 1027 C GLU A 70 -2.082 -5.150 2.214 1.00 1.00 C ATOM 1028 O GLU A 70 -2.847 -4.366 1.627 1.00 1.00 O ATOM 1029 CB GLU A 70 0.189 -5.275 1.097 1.00 1.00 C ATOM 1030 CG GLU A 70 1.346 -4.369 0.626 1.00 1.00 C ATOM 1031 CD GLU A 70 2.691 -4.768 1.216 1.00 1.00 C ATOM 1032 OE1 GLU A 70 2.932 -4.476 2.408 1.00 1.00 O ATOM 1033 OE2 GLU A 70 3.509 -5.362 0.480 1.00 1.00 O ATOM 0 H GLU A 70 0.560 -6.242 3.391 1.00 1.00 H new ATOM 0 HA GLU A 70 -0.483 -3.711 2.437 1.00 1.00 H new ATOM 0 HB2 GLU A 70 0.589 -6.269 1.296 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -0.525 -5.376 0.279 1.00 1.00 H new ATOM 0 HG2 GLU A 70 1.408 -4.404 -0.462 1.00 1.00 H new ATOM 0 HG3 GLU A 70 1.127 -3.337 0.900 1.00 1.00 H new ATOM 1040 N ALA A 71 -2.477 -6.356 2.771 1.00 1.00 N ATOM 1041 CA ALA A 71 -3.885 -6.876 2.835 1.00 1.00 C ATOM 1042 C ALA A 71 -4.774 -6.059 3.824 1.00 1.00 C ATOM 1043 O ALA A 71 -5.980 -5.890 3.582 1.00 1.00 O ATOM 1044 CB ALA A 71 -3.888 -8.351 3.224 1.00 1.00 C ATOM 0 H ALA A 71 -1.806 -6.998 3.193 1.00 1.00 H new ATOM 0 HA ALA A 71 -4.315 -6.762 1.840 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -4.915 -8.714 3.266 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.331 -8.924 2.483 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -3.420 -8.470 4.201 1.00 1.00 H new ATOM 1050 N GLU A 72 -4.124 -5.568 4.944 1.00 1.00 N ATOM 1051 CA GLU A 72 -4.738 -4.697 6.007 1.00 1.00 C ATOM 1052 C GLU A 72 -5.016 -3.249 5.505 1.00 1.00 C ATOM 1053 O GLU A 72 -5.932 -2.584 6.017 1.00 1.00 O ATOM 1054 CB GLU A 72 -3.848 -4.658 7.259 1.00 1.00 C ATOM 1055 CG GLU A 72 -4.023 -5.861 8.181 1.00 1.00 C ATOM 1056 CD GLU A 72 -3.179 -5.765 9.439 1.00 1.00 C ATOM 1057 OE1 GLU A 72 -2.006 -6.195 9.403 1.00 1.00 O ATOM 1058 OE2 GLU A 72 -3.692 -5.263 10.461 1.00 1.00 O ATOM 0 H GLU A 72 -3.142 -5.774 5.129 1.00 1.00 H new ATOM 0 HA GLU A 72 -5.699 -5.144 6.261 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -2.805 -4.599 6.949 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -4.066 -3.749 7.819 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -5.073 -5.950 8.459 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -3.758 -6.769 7.640 1.00 1.00 H new ATOM 1065 N LYS A 73 -4.185 -2.787 4.499 1.00 1.00 N ATOM 1066 CA LYS A 73 -4.310 -1.466 3.784 1.00 1.00 C ATOM 1067 C LYS A 73 -5.573 -1.396 2.875 1.00 1.00 C ATOM 1068 O LYS A 73 -6.106 -0.302 2.638 1.00 1.00 O ATOM 1069 CB LYS A 73 -3.062 -1.164 2.941 1.00 1.00 C ATOM 1070 CG LYS A 73 -1.891 -0.620 3.741 1.00 1.00 C ATOM 1071 CD LYS A 73 -0.690 -0.334 2.854 1.00 1.00 C ATOM 1072 CE LYS A 73 0.456 0.253 3.659 1.00 1.00 C ATOM 1073 NZ LYS A 73 1.640 0.550 2.807 1.00 1.00 N ATOM 0 H LYS A 73 -3.396 -3.338 4.160 1.00 1.00 H new ATOM 0 HA LYS A 73 -4.410 -0.712 4.565 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -2.749 -2.077 2.434 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -3.325 -0.444 2.167 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -2.192 0.295 4.252 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -1.612 -1.338 4.512 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -0.364 -1.254 2.370 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -0.975 0.359 2.063 1.00 1.00 H new ATOM 0 HE2 LYS A 73 0.123 1.168 4.150 1.00 1.00 H new ATOM 0 HE3 LYS A 73 0.741 -0.445 4.446 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 2.434 -0.059 3.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 1.404 0.370 1.810 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 1.910 1.547 2.924 1.00 1.00 H new ATOM 1087 N VAL A 74 -6.019 -2.608 2.380 1.00 1.00 N ATOM 1088 CA VAL A 74 -7.247 -2.829 1.513 1.00 1.00 C ATOM 1089 C VAL A 74 -8.552 -2.483 2.329 1.00 1.00 C ATOM 1090 O VAL A 74 -9.485 -1.932 1.759 1.00 1.00 O ATOM 1091 CB VAL A 74 -7.343 -4.308 0.875 1.00 1.00 C ATOM 1092 CG1 VAL A 74 -8.307 -4.383 -0.333 1.00 1.00 C ATOM 1093 CG2 VAL A 74 -5.988 -4.871 0.398 1.00 1.00 C ATOM 0 H VAL A 74 -5.525 -3.478 2.576 1.00 1.00 H new ATOM 0 HA VAL A 74 -7.151 -2.152 0.664 1.00 1.00 H new ATOM 0 HB VAL A 74 -7.718 -4.908 1.704 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -8.329 -5.402 -0.718 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -9.309 -4.093 -0.017 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -7.963 -3.707 -1.115 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -6.134 -5.868 -0.018 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -5.571 -4.216 -0.367 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -5.300 -4.928 1.242 1.00 1.00 H new ATOM 1103 N PHE A 75 -8.568 -2.820 3.661 1.00 1.00 N ATOM 1104 CA PHE A 75 -9.692 -2.517 4.621 1.00 1.00 C ATOM 1105 C PHE A 75 -9.942 -0.990 4.818 1.00 1.00 C ATOM 1106 O PHE A 75 -11.083 -0.584 5.079 1.00 1.00 O ATOM 1107 CB PHE A 75 -9.398 -3.159 5.993 1.00 1.00 C ATOM 1108 CG PHE A 75 -10.241 -4.373 6.327 1.00 1.00 C ATOM 1109 CD1 PHE A 75 -9.826 -5.651 5.968 1.00 1.00 C ATOM 1110 CD2 PHE A 75 -11.448 -4.236 7.009 1.00 1.00 C ATOM 1111 CE1 PHE A 75 -10.595 -6.757 6.273 1.00 1.00 C ATOM 1112 CE2 PHE A 75 -12.217 -5.342 7.314 1.00 1.00 C ATOM 1113 CZ PHE A 75 -11.792 -6.604 6.946 1.00 1.00 C ATOM 0 H PHE A 75 -7.794 -3.315 4.104 1.00 1.00 H new ATOM 0 HA PHE A 75 -10.595 -2.939 4.179 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -8.347 -3.446 6.025 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -9.547 -2.407 6.768 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -8.890 -5.780 5.444 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -11.786 -3.253 7.303 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -10.260 -7.743 5.985 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -13.152 -5.220 7.841 1.00 1.00 H new ATOM 0 HZ PHE A 75 -12.394 -7.469 7.184 1.00 1.00 H new ATOM 1123 N GLU A 76 -8.844 -0.167 4.645 1.00 1.00 N ATOM 1124 CA GLU A 76 -8.841 1.318 4.801 1.00 1.00 C ATOM 1125 C GLU A 76 -9.641 2.047 3.681 1.00 1.00 C ATOM 1126 O GLU A 76 -10.380 2.981 3.999 1.00 1.00 O ATOM 1127 CB GLU A 76 -7.387 1.839 4.851 1.00 1.00 C ATOM 1128 CG GLU A 76 -7.171 2.989 5.834 1.00 1.00 C ATOM 1129 CD GLU A 76 -5.758 3.545 5.792 1.00 1.00 C ATOM 1130 OE1 GLU A 76 -5.481 4.401 4.924 1.00 1.00 O ATOM 1131 OE2 GLU A 76 -4.929 3.128 6.627 1.00 1.00 O ATOM 0 H GLU A 76 -7.928 -0.536 4.389 1.00 1.00 H new ATOM 0 HA GLU A 76 -9.346 1.543 5.740 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -6.726 1.015 5.121 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -7.096 2.168 3.854 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -7.877 3.789 5.611 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -7.390 2.643 6.844 1.00 1.00 H new ATOM 1138 N LEU A 77 -9.496 1.574 2.397 1.00 1.00 N ATOM 1139 CA LEU A 77 -10.203 2.130 1.195 1.00 1.00 C ATOM 1140 C LEU A 77 -11.736 1.814 1.179 1.00 1.00 C ATOM 1141 O LEU A 77 -12.527 2.621 0.663 1.00 1.00 O ATOM 1142 CB LEU A 77 -9.527 1.674 -0.143 1.00 1.00 C ATOM 1143 CG LEU A 77 -9.198 0.173 -0.350 1.00 1.00 C ATOM 1144 CD1 LEU A 77 -10.307 -0.518 -1.137 1.00 1.00 C ATOM 1145 CD2 LEU A 77 -7.852 -0.011 -1.044 1.00 1.00 C ATOM 0 H LEU A 77 -8.881 0.792 2.170 1.00 1.00 H new ATOM 0 HA LEU A 77 -10.106 3.213 1.275 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.177 1.983 -0.961 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.596 2.231 -0.247 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.131 -0.291 0.634 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -10.057 -1.570 -1.271 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -11.247 -0.435 -0.591 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -10.412 -0.043 -2.112 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.652 -1.075 -1.174 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.876 0.475 -2.019 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -7.065 0.435 -0.436 1.00 1.00 H new ATOM 1157 N LEU A 78 -12.099 0.622 1.755 1.00 1.00 N ATOM 1158 CA LEU A 78 -13.499 0.126 1.898 1.00 1.00 C ATOM 1159 C LEU A 78 -14.243 0.749 3.128 1.00 1.00 C ATOM 1160 O LEU A 78 -15.485 0.728 3.162 1.00 1.00 O ATOM 1161 CB LEU A 78 -13.497 -1.404 2.012 1.00 1.00 C ATOM 1162 CG LEU A 78 -13.326 -2.165 0.691 1.00 1.00 C ATOM 1163 CD1 LEU A 78 -12.142 -3.107 0.752 1.00 1.00 C ATOM 1164 CD2 LEU A 78 -14.578 -2.936 0.357 1.00 1.00 C ATOM 0 H LEU A 78 -11.411 -0.027 2.137 1.00 1.00 H new ATOM 0 HA LEU A 78 -14.042 0.438 1.006 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.694 -1.699 2.688 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -14.434 -1.718 2.473 1.00 1.00 H new ATOM 0 HG LEU A 78 -13.142 -1.430 -0.093 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -12.046 -3.632 -0.198 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.233 -2.537 0.945 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -12.294 -3.831 1.553 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -14.437 -3.469 -0.583 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -14.788 -3.652 1.152 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -15.416 -2.245 0.260 1.00 1.00 H new ATOM 1176 N ASN A 79 -13.451 1.280 4.113 1.00 1.00 N ATOM 1177 CA ASN A 79 -13.958 1.955 5.336 1.00 1.00 C ATOM 1178 C ASN A 79 -13.913 3.505 5.213 1.00 1.00 C ATOM 1179 O ASN A 79 -14.590 4.201 6.000 1.00 1.00 O ATOM 1180 CB ASN A 79 -13.160 1.492 6.567 1.00 1.00 C ATOM 1181 CG ASN A 79 -13.742 0.241 7.205 1.00 1.00 C ATOM 1182 OD1 ASN A 79 -14.818 0.278 7.802 1.00 1.00 O ATOM 1183 ND2 ASN A 79 -13.031 -0.873 7.089 1.00 1.00 N ATOM 0 H ASN A 79 -12.432 1.246 4.071 1.00 1.00 H new ATOM 0 HA ASN A 79 -15.004 1.671 5.456 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -12.128 1.300 6.275 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -13.138 2.295 7.304 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -13.372 -1.741 7.503 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -12.144 -0.862 6.586 1.00 1.00 H new ATOM 1190 N ASP A 80 -13.134 4.014 4.207 1.00 1.00 N ATOM 1191 CA ASP A 80 -12.975 5.442 3.919 1.00 1.00 C ATOM 1192 C ASP A 80 -13.706 5.786 2.602 1.00 1.00 C ATOM 1193 O ASP A 80 -13.101 6.031 1.531 1.00 1.00 O ATOM 1194 CB ASP A 80 -11.481 5.856 3.906 1.00 1.00 C ATOM 1195 CG ASP A 80 -10.898 6.041 5.292 1.00 1.00 C ATOM 1196 OD1 ASP A 80 -11.243 7.043 5.954 1.00 1.00 O ATOM 1197 OD2 ASP A 80 -10.086 5.190 5.711 1.00 1.00 O ATOM 0 H ASP A 80 -12.599 3.418 3.575 1.00 1.00 H new ATOM 0 HA ASP A 80 -13.434 6.025 4.717 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -10.906 5.097 3.376 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -11.374 6.786 3.347 1.00 1.00 H new ATOM 1202 N PHE A 81 -15.061 5.708 2.702 1.00 1.00 N ATOM 1203 CA PHE A 81 -16.034 6.062 1.605 1.00 1.00 C ATOM 1204 C PHE A 81 -16.126 7.596 1.341 1.00 1.00 C ATOM 1205 O PHE A 81 -16.433 8.007 0.205 1.00 1.00 O ATOM 1206 CB PHE A 81 -17.441 5.502 1.911 1.00 1.00 C ATOM 1207 CG PHE A 81 -17.745 4.150 1.287 1.00 1.00 C ATOM 1208 CD1 PHE A 81 -18.282 4.060 0.003 1.00 1.00 C ATOM 1209 CD2 PHE A 81 -17.508 2.972 1.986 1.00 1.00 C ATOM 1210 CE1 PHE A 81 -18.565 2.834 -0.564 1.00 1.00 C ATOM 1211 CE2 PHE A 81 -17.792 1.744 1.419 1.00 1.00 C ATOM 1212 CZ PHE A 81 -18.320 1.675 0.144 1.00 1.00 C ATOM 0 H PHE A 81 -15.525 5.394 3.554 1.00 1.00 H new ATOM 0 HA PHE A 81 -15.645 5.598 0.699 1.00 1.00 H new ATOM 0 HB2 PHE A 81 -17.556 5.420 2.992 1.00 1.00 H new ATOM 0 HB3 PHE A 81 -18.184 6.220 1.565 1.00 1.00 H new ATOM 0 HD1 PHE A 81 -18.479 4.963 -0.556 1.00 1.00 H new ATOM 0 HD2 PHE A 81 -17.097 3.017 2.984 1.00 1.00 H new ATOM 0 HE1 PHE A 81 -18.978 2.782 -1.561 1.00 1.00 H new ATOM 0 HE2 PHE A 81 -17.601 0.837 1.973 1.00 1.00 H new ATOM 0 HZ PHE A 81 -18.541 0.715 -0.298 1.00 1.00 H new ATOM 1222 N LYS A 82 -15.859 8.394 2.417 1.00 1.00 N ATOM 1223 CA LYS A 82 -15.839 9.868 2.388 1.00 1.00 C ATOM 1224 C LYS A 82 -14.388 10.366 2.386 1.00 1.00 C ATOM 1225 O LYS A 82 -13.552 9.854 3.167 1.00 1.00 O ATOM 1226 CB LYS A 82 -16.594 10.443 3.598 1.00 1.00 C ATOM 1227 CG LYS A 82 -18.098 10.560 3.399 1.00 1.00 C ATOM 1228 CD LYS A 82 -18.784 11.052 4.663 1.00 1.00 C ATOM 1229 CE LYS A 82 -20.283 11.196 4.462 1.00 1.00 C ATOM 1230 NZ LYS A 82 -20.963 11.676 5.696 1.00 1.00 N ATOM 0 H LYS A 82 -15.649 8.013 3.340 1.00 1.00 H new ATOM 0 HA LYS A 82 -16.337 10.208 1.480 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -16.402 9.811 4.465 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -16.192 11.430 3.827 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -18.306 11.247 2.578 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -18.506 9.590 3.115 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -18.590 10.355 5.478 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -18.361 12.013 4.958 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -20.475 11.893 3.647 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -20.704 10.235 4.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -21.984 11.761 5.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -20.801 10.998 6.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -20.579 12.605 5.965 1.00 1.00 H new ATOM 1244 N GLY A 83 -14.123 11.354 1.498 1.00 1.00 N ATOM 1245 CA GLY A 83 -12.794 11.956 1.335 1.00 1.00 C ATOM 1246 C GLY A 83 -12.627 12.615 -0.018 1.00 1.00 C ATOM 1247 O GLY A 83 -13.027 13.784 -0.185 1.00 1.00 O ATOM 0 H GLY A 83 -14.830 11.750 0.879 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.633 12.695 2.120 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -12.031 11.188 1.460 1.00 1.00 H new ATOM 1251 N GLY A 84 -12.036 11.842 -0.969 1.00 1.00 N ATOM 1252 CA GLY A 84 -11.789 12.302 -2.347 1.00 1.00 C ATOM 1253 C GLY A 84 -12.098 11.254 -3.411 1.00 1.00 C ATOM 1254 O GLY A 84 -11.271 11.054 -4.320 1.00 1.00 O ATOM 0 H GLY A 84 -11.722 10.887 -0.794 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -12.393 13.189 -2.538 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -10.745 12.602 -2.438 1.00 1.00 H new ATOM 1258 N ILE A 85 -13.286 10.601 -3.286 1.00 1.00 N ATOM 1259 CA ILE A 85 -13.758 9.545 -4.227 1.00 1.00 C ATOM 1260 C ILE A 85 -15.089 10.024 -4.838 1.00 1.00 C ATOM 1261 O ILE A 85 -16.045 10.314 -4.090 1.00 1.00 O ATOM 1262 CB ILE A 85 -13.946 8.085 -3.572 1.00 1.00 C ATOM 1263 CG1 ILE A 85 -12.889 7.740 -2.499 1.00 1.00 C ATOM 1264 CG2 ILE A 85 -13.891 6.951 -4.625 1.00 1.00 C ATOM 1265 CD1 ILE A 85 -13.475 7.625 -1.115 1.00 1.00 C ATOM 0 H ILE A 85 -13.944 10.792 -2.530 1.00 1.00 H new ATOM 0 HA ILE A 85 -12.980 9.413 -4.979 1.00 1.00 H new ATOM 0 HB ILE A 85 -14.931 8.143 -3.110 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -12.405 6.800 -2.762 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -12.115 8.508 -2.498 1.00 1.00 H new ATOM 0 HG21 ILE A 85 -14.023 5.989 -4.131 1.00 1.00 H new ATOM 0 HG22 ILE A 85 -14.686 7.095 -5.357 1.00 1.00 H new ATOM 0 HG23 ILE A 85 -12.925 6.970 -5.130 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -12.685 7.381 -0.405 1.00 1.00 H new ATOM 0 HD12 ILE A 85 -13.935 8.572 -0.835 1.00 1.00 H new ATOM 0 HD13 ILE A 85 -14.229 6.838 -1.103 1.00 1.00 H new ATOM 1277 N ASP A 86 -15.096 10.098 -6.187 1.00 1.00 N ATOM 1278 CA ASP A 86 -16.265 10.504 -6.984 1.00 1.00 C ATOM 1279 C ASP A 86 -16.605 9.432 -8.018 1.00 1.00 C ATOM 1280 O ASP A 86 -15.702 8.931 -8.720 1.00 1.00 O ATOM 1281 CB ASP A 86 -16.011 11.852 -7.680 1.00 1.00 C ATOM 1282 CG ASP A 86 -16.285 13.040 -6.776 1.00 1.00 C ATOM 1283 OD1 ASP A 86 -17.474 13.323 -6.512 1.00 1.00 O ATOM 1284 OD2 ASP A 86 -15.313 13.688 -6.333 1.00 1.00 O ATOM 0 H ASP A 86 -14.279 9.874 -6.755 1.00 1.00 H new ATOM 0 HA ASP A 86 -17.112 10.620 -6.308 1.00 1.00 H new ATOM 0 HB2 ASP A 86 -14.976 11.891 -8.020 1.00 1.00 H new ATOM 0 HB3 ASP A 86 -16.641 11.923 -8.567 1.00 1.00 H new ATOM 1289 N TRP A 87 -17.920 9.071 -8.065 1.00 1.00 N ATOM 1290 CA TRP A 87 -18.491 8.064 -9.016 1.00 1.00 C ATOM 1291 C TRP A 87 -18.768 8.636 -10.429 1.00 1.00 C ATOM 1292 O TRP A 87 -18.740 7.877 -11.413 1.00 1.00 O ATOM 1293 CB TRP A 87 -19.766 7.437 -8.440 1.00 1.00 C ATOM 1294 CG TRP A 87 -19.481 6.379 -7.394 1.00 1.00 C ATOM 1295 CD1 TRP A 87 -19.546 6.560 -6.042 1.00 1.00 C ATOM 1296 CD2 TRP A 87 -19.068 4.995 -7.593 1.00 1.00 C ATOM 1297 NE1 TRP A 87 -19.202 5.406 -5.391 1.00 1.00 N ATOM 1298 CE2 TRP A 87 -18.907 4.439 -6.313 1.00 1.00 C ATOM 1299 CE3 TRP A 87 -18.817 4.172 -8.716 1.00 1.00 C ATOM 1300 CZ2 TRP A 87 -18.511 3.128 -6.117 1.00 1.00 C ATOM 1301 CZ3 TRP A 87 -18.425 2.863 -8.510 1.00 1.00 C ATOM 1302 CH2 TRP A 87 -18.274 2.353 -7.218 1.00 1.00 C ATOM 0 H TRP A 87 -18.620 9.472 -7.441 1.00 1.00 H new ATOM 0 HA TRP A 87 -17.727 7.296 -9.136 1.00 1.00 H new ATOM 0 HB2 TRP A 87 -20.383 8.220 -7.999 1.00 1.00 H new ATOM 0 HB3 TRP A 87 -20.345 6.993 -9.250 1.00 1.00 H new ATOM 0 HD1 TRP A 87 -19.828 7.482 -5.556 1.00 1.00 H new ATOM 0 HE1 TRP A 87 -19.171 5.286 -4.379 1.00 1.00 H new ATOM 0 HE3 TRP A 87 -18.930 4.560 -9.717 1.00 1.00 H new ATOM 0 HZ2 TRP A 87 -18.392 2.728 -5.121 1.00 1.00 H new ATOM 0 HZ3 TRP A 87 -18.233 2.225 -9.360 1.00 1.00 H new ATOM 0 HH2 TRP A 87 -17.964 1.327 -7.087 1.00 1.00 H new ATOM 1313 N GLU A 88 -19.032 9.980 -10.490 1.00 1.00 N ATOM 1314 CA GLU A 88 -19.294 10.751 -11.744 1.00 1.00 C ATOM 1315 C GLU A 88 -17.981 11.170 -12.475 1.00 1.00 C ATOM 1316 O GLU A 88 -17.961 11.193 -13.717 1.00 1.00 O ATOM 1317 CB GLU A 88 -20.148 11.998 -11.438 1.00 1.00 C ATOM 1318 CG GLU A 88 -21.639 11.711 -11.259 1.00 1.00 C ATOM 1319 CD GLU A 88 -22.442 12.964 -10.964 1.00 1.00 C ATOM 1320 OE1 GLU A 88 -22.562 13.327 -9.774 1.00 1.00 O ATOM 1321 OE2 GLU A 88 -22.950 13.582 -11.922 1.00 1.00 O ATOM 0 H GLU A 88 -19.068 10.564 -9.654 1.00 1.00 H new ATOM 0 HA GLU A 88 -19.840 10.088 -12.415 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -19.769 12.470 -10.531 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -20.023 12.717 -12.247 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -22.026 11.240 -12.163 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -21.773 10.998 -10.446 1.00 1.00 H new ATOM 1328 N ASN A 89 -16.922 11.497 -11.673 1.00 1.00 N ATOM 1329 CA ASN A 89 -15.579 11.895 -12.172 1.00 1.00 C ATOM 1330 C ASN A 89 -14.577 10.717 -12.250 1.00 1.00 C ATOM 1331 O ASN A 89 -13.570 10.821 -12.972 1.00 1.00 O ATOM 1332 CB ASN A 89 -15.003 13.015 -11.294 1.00 1.00 C ATOM 1333 CG ASN A 89 -15.521 14.390 -11.676 1.00 1.00 C ATOM 1334 OD1 ASN A 89 -16.471 14.896 -11.077 1.00 1.00 O ATOM 1335 ND2 ASN A 89 -14.891 15.007 -12.671 1.00 1.00 N ATOM 0 H ASN A 89 -16.984 11.490 -10.655 1.00 1.00 H new ATOM 0 HA ASN A 89 -15.721 12.251 -13.192 1.00 1.00 H new ATOM 0 HB2 ASN A 89 -15.250 12.816 -10.251 1.00 1.00 H new ATOM 0 HB3 ASN A 89 -13.916 13.007 -11.371 1.00 1.00 H new ATOM 0 HD21 ASN A 89 -15.190 15.937 -12.966 1.00 1.00 H new ATOM 0 HD22 ASN A 89 -14.108 14.551 -13.140 1.00 1.00 H new ATOM 1342 N LYS A 90 -14.879 9.559 -11.531 1.00 1.00 N ATOM 1343 CA LYS A 90 -14.052 8.281 -11.454 1.00 1.00 C ATOM 1344 C LYS A 90 -12.594 8.494 -10.895 1.00 1.00 C ATOM 1345 O LYS A 90 -11.565 8.061 -11.488 1.00 1.00 O ATOM 1346 CB LYS A 90 -14.075 7.482 -12.806 1.00 1.00 C ATOM 1347 CG LYS A 90 -15.352 6.693 -13.047 1.00 1.00 C ATOM 1348 CD LYS A 90 -15.367 6.108 -14.455 1.00 1.00 C ATOM 1349 CE LYS A 90 -16.640 5.309 -14.737 1.00 1.00 C ATOM 1350 NZ LYS A 90 -16.562 3.917 -14.206 1.00 1.00 N ATOM 0 H LYS A 90 -15.731 9.492 -10.974 1.00 1.00 H new ATOM 0 HA LYS A 90 -14.545 7.658 -10.708 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -13.933 8.181 -13.630 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -13.229 6.795 -12.822 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -15.433 5.891 -12.314 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -16.217 7.341 -12.908 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -15.278 6.915 -15.182 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -14.499 5.463 -14.587 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -17.493 5.819 -14.290 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -16.816 5.276 -15.812 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -17.189 3.299 -14.760 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -15.583 3.572 -14.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -16.859 3.908 -13.209 1.00 1.00 H new ATOM 1364 N ARG A 91 -12.551 9.183 -9.726 1.00 1.00 N ATOM 1365 CA ARG A 91 -11.297 9.499 -9.013 1.00 1.00 C ATOM 1366 C ARG A 91 -11.253 8.801 -7.663 1.00 1.00 C ATOM 1367 O ARG A 91 -12.227 8.861 -6.884 1.00 1.00 O ATOM 1368 CB ARG A 91 -11.101 11.015 -8.852 1.00 1.00 C ATOM 1369 CG ARG A 91 -10.535 11.694 -10.103 1.00 1.00 C ATOM 1370 CD ARG A 91 -10.350 13.204 -9.924 1.00 1.00 C ATOM 1371 NE ARG A 91 -11.629 13.969 -10.009 1.00 1.00 N ATOM 1372 CZ ARG A 91 -11.848 15.262 -9.619 1.00 1.00 C ATOM 1373 NH1 ARG A 91 -10.899 16.044 -9.064 1.00 1.00 N ATOM 1374 NH2 ARG A 91 -13.055 15.780 -9.796 1.00 1.00 N ATOM 0 H ARG A 91 -13.386 9.532 -9.256 1.00 1.00 H new ATOM 0 HA ARG A 91 -10.472 9.126 -9.620 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -12.058 11.473 -8.601 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -10.430 11.200 -8.013 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -9.576 11.242 -10.354 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -11.203 11.511 -10.944 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -9.884 13.394 -8.957 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -9.663 13.572 -10.686 1.00 1.00 H new ATOM 0 HE ARG A 91 -12.429 13.472 -10.402 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -9.959 15.677 -8.915 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -11.122 17.002 -8.793 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -13.795 15.217 -10.215 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -13.244 16.742 -9.514 1.00 1.00 H new ATOM 1388 N VAL A 92 -10.102 8.136 -7.428 1.00 1.00 N ATOM 1389 CA VAL A 92 -9.827 7.364 -6.194 1.00 1.00 C ATOM 1390 C VAL A 92 -8.552 7.937 -5.556 1.00 1.00 C ATOM 1391 O VAL A 92 -7.499 7.997 -6.220 1.00 1.00 O ATOM 1392 CB VAL A 92 -9.679 5.774 -6.422 1.00 1.00 C ATOM 1393 CG1 VAL A 92 -9.934 4.973 -5.118 1.00 1.00 C ATOM 1394 CG2 VAL A 92 -10.626 5.203 -7.509 1.00 1.00 C ATOM 0 H VAL A 92 -9.330 8.119 -8.094 1.00 1.00 H new ATOM 0 HA VAL A 92 -10.691 7.472 -5.538 1.00 1.00 H new ATOM 0 HB VAL A 92 -8.648 5.654 -6.756 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -9.824 3.907 -5.318 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -9.214 5.276 -4.358 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -10.944 5.172 -4.760 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -10.466 4.129 -7.603 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -11.661 5.392 -7.226 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -10.417 5.686 -8.464 1.00 1.00 H new ATOM 1404 N LYS A 93 -8.703 8.348 -4.276 1.00 1.00 N ATOM 1405 CA LYS A 93 -7.614 8.902 -3.457 1.00 1.00 C ATOM 1406 C LYS A 93 -7.471 8.115 -2.163 1.00 1.00 C ATOM 1407 O LYS A 93 -8.480 7.825 -1.482 1.00 1.00 O ATOM 1408 CB LYS A 93 -7.848 10.391 -3.149 1.00 1.00 C ATOM 1409 CG LYS A 93 -7.394 11.336 -4.255 1.00 1.00 C ATOM 1410 CD LYS A 93 -7.732 12.777 -3.918 1.00 1.00 C ATOM 1411 CE LYS A 93 -7.343 13.723 -5.039 1.00 1.00 C ATOM 1412 NZ LYS A 93 -7.732 15.127 -4.732 1.00 1.00 N ATOM 0 H LYS A 93 -9.595 8.302 -3.783 1.00 1.00 H new ATOM 0 HA LYS A 93 -6.690 8.816 -4.029 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -8.910 10.550 -2.964 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -7.323 10.647 -2.229 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -6.319 11.237 -4.403 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -7.872 11.057 -5.194 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -8.801 12.864 -3.723 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -7.217 13.067 -3.002 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -6.267 13.671 -5.203 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -7.822 13.407 -5.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -7.451 15.745 -5.520 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -8.762 15.181 -4.600 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -7.255 15.437 -3.861 1.00 1.00 H new ATOM 1426 N LEU A 94 -6.207 7.763 -1.869 1.00 1.00 N ATOM 1427 CA LEU A 94 -5.803 7.031 -0.670 1.00 1.00 C ATOM 1428 C LEU A 94 -4.932 7.932 0.187 1.00 1.00 C ATOM 1429 O LEU A 94 -4.000 8.587 -0.318 1.00 1.00 O ATOM 1430 CB LEU A 94 -5.046 5.742 -1.033 1.00 1.00 C ATOM 1431 CG LEU A 94 -5.914 4.511 -1.364 1.00 1.00 C ATOM 1432 CD1 LEU A 94 -5.626 3.991 -2.768 1.00 1.00 C ATOM 1433 CD2 LEU A 94 -5.680 3.403 -0.339 1.00 1.00 C ATOM 0 H LEU A 94 -5.422 7.989 -2.480 1.00 1.00 H new ATOM 0 HA LEU A 94 -6.695 6.741 -0.114 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -4.407 5.951 -1.891 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -4.390 5.485 -0.201 1.00 1.00 H new ATOM 0 HG LEU A 94 -6.958 4.821 -1.323 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -6.254 3.123 -2.971 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -5.841 4.773 -3.497 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -4.577 3.705 -2.842 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -6.300 2.541 -0.587 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -4.630 3.111 -0.353 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -5.943 3.765 0.655 1.00 1.00 H new ATOM 1445 N LYS A 95 -5.265 7.974 1.526 1.00 1.00 N ATOM 1446 CA LYS A 95 -4.581 8.777 2.624 1.00 1.00 C ATOM 1447 C LYS A 95 -4.719 10.307 2.445 1.00 1.00 C ATOM 1448 O LYS A 95 -5.159 10.973 3.405 1.00 1.00 O ATOM 1449 CB LYS A 95 -3.088 8.384 2.793 1.00 1.00 C ATOM 1450 CG LYS A 95 -2.672 8.027 4.204 1.00 1.00 C ATOM 1451 CD LYS A 95 -1.252 7.485 4.207 1.00 1.00 C ATOM 1452 CE LYS A 95 -0.768 7.157 5.605 1.00 1.00 C ATOM 1453 NZ LYS A 95 0.605 6.587 5.583 1.00 1.00 N ATOM 1454 OXT LYS A 95 -4.403 10.815 1.343 1.00 1.00 O ATOM 0 H LYS A 95 -6.047 7.430 1.889 1.00 1.00 H new ATOM 0 HA LYS A 95 -5.112 8.515 3.539 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -2.876 7.535 2.143 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -2.469 9.212 2.447 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -2.735 8.907 4.844 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -3.354 7.284 4.616 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -1.206 6.589 3.589 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -0.584 8.219 3.756 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -0.780 8.059 6.217 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -1.451 6.447 6.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 0.908 6.373 6.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 0.609 5.713 5.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 1.260 7.275 5.160 1.00 1.00 H new TER 1468 LYS A 95 HETATM 1469 ZN ZN A 96 7.134 -6.184 -12.878 1.00 1.00 ZN