USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 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 Set 1.1: A 112 TYR OH : rot 52:sc= -0.496 USER MOD Set 1.2: A 136 ASN : amide:sc= 0.00911 K(o=-0.49,f=-2.5!) USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= -0.448 (180deg=-1.77!) USER MOD Single : A 67 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.83) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc=-0.00417 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.452 K(o=-0.45,f=-1.4) USER MOD Single : A 94 HIS : no HD1:sc=-7.19e-05 X(o=-7.2e-05,f=0) USER MOD Single : A 100 ASN : amide:sc= -2.47! X(o=-2.5!,f=-2.6) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 102 LYS NZ :NH3+ -140:sc= -0.224 (180deg=-1.42!) USER MOD Single : A 105 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.42) USER MOD Single : A 106 THR OG1 : rot -64:sc= 1.22 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -108:sc= -0.179 (180deg=-0.834) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 113 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.23) USER MOD Single : A 120 SER OG : rot -28:sc= -0.0557 USER MOD Single : A 122 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.8) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -85:sc= 0.23 USER MOD Single : A 125 LYS NZ :NH3+ 172:sc= -0.848 (180deg=-1.32) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 15:sc= -1.61! USER MOD Single : A 135 THR OG1 : rot 85:sc= 1.11 USER MOD Single : A 137 MET CE :methyl 156:sc= -0.134 (180deg=-0.801) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 149 LYS NZ :NH3+ -152:sc= -0.126 (180deg=-0.723) USER MOD Single : A 151 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 8.882 3.698 -6.837 1.00 0.00 N ATOM 16 CA PHE A 65 7.714 3.245 -6.027 1.00 0.00 C ATOM 17 C PHE A 65 8.205 2.613 -4.727 1.00 0.00 C ATOM 18 O PHE A 65 7.656 2.832 -3.664 1.00 0.00 O ATOM 19 CB PHE A 65 6.917 2.207 -6.827 1.00 0.00 C ATOM 20 CG PHE A 65 7.785 0.999 -7.125 1.00 0.00 C ATOM 21 CD1 PHE A 65 7.872 -0.049 -6.199 1.00 0.00 C ATOM 22 CD2 PHE A 65 8.495 0.925 -8.331 1.00 0.00 C ATOM 23 CE1 PHE A 65 8.669 -1.168 -6.478 1.00 0.00 C ATOM 24 CE2 PHE A 65 9.291 -0.195 -8.610 1.00 0.00 C ATOM 25 CZ PHE A 65 9.377 -1.240 -7.682 1.00 0.00 C ATOM 0 HA PHE A 65 7.079 4.100 -5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.036 1.901 -6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.563 2.648 -7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.325 0.005 -5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.429 1.732 -9.046 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.736 -1.975 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.837 -0.252 -9.540 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.991 -2.103 -7.896 1.00 0.00 H new ATOM 35 N LYS A 66 9.233 1.818 -4.813 1.00 0.00 N ATOM 36 CA LYS A 66 9.770 1.151 -3.596 1.00 0.00 C ATOM 37 C LYS A 66 10.246 2.204 -2.594 1.00 0.00 C ATOM 38 O LYS A 66 9.984 2.117 -1.409 1.00 0.00 O ATOM 39 CB LYS A 66 10.953 0.260 -3.993 1.00 0.00 C ATOM 40 CG LYS A 66 11.551 -0.427 -2.756 1.00 0.00 C ATOM 41 CD LYS A 66 10.498 -1.330 -2.107 1.00 0.00 C ATOM 42 CE LYS A 66 11.182 -2.353 -1.206 1.00 0.00 C ATOM 43 NZ LYS A 66 10.146 -3.135 -0.476 1.00 0.00 N ATOM 0 H LYS A 66 9.727 1.600 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 66 8.986 0.548 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.624 -0.492 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.717 0.860 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.423 -1.016 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.892 0.322 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.799 -0.729 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.918 -1.839 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.805 -3.020 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.840 -1.849 -0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.551 -3.509 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.339 -2.518 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.824 -3.925 -1.071 1.00 0.00 H new ATOM 57 N GLN A 67 10.958 3.188 -3.066 1.00 0.00 N ATOM 58 CA GLN A 67 11.471 4.249 -2.155 1.00 0.00 C ATOM 59 C GLN A 67 10.296 5.037 -1.577 1.00 0.00 C ATOM 60 O GLN A 67 10.270 5.372 -0.408 1.00 0.00 O ATOM 61 CB GLN A 67 12.372 5.200 -2.948 1.00 0.00 C ATOM 62 CG GLN A 67 13.044 6.197 -1.997 1.00 0.00 C ATOM 63 CD GLN A 67 14.014 5.452 -1.077 1.00 0.00 C ATOM 64 OE1 GLN A 67 14.661 4.511 -1.491 1.00 0.00 O ATOM 65 NE2 GLN A 67 14.142 5.837 0.162 1.00 0.00 N ATOM 0 H GLN A 67 11.208 3.304 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 67 12.037 3.791 -1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.130 4.632 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.784 5.735 -3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.578 6.956 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.290 6.715 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.599 6.627 0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.786 5.348 0.784 1.00 0.00 H new ATOM 74 N VAL A 68 9.322 5.332 -2.394 1.00 0.00 N ATOM 75 CA VAL A 68 8.137 6.098 -1.910 1.00 0.00 C ATOM 76 C VAL A 68 7.391 5.268 -0.863 1.00 0.00 C ATOM 77 O VAL A 68 6.998 5.762 0.176 1.00 0.00 O ATOM 78 CB VAL A 68 7.205 6.393 -3.093 1.00 0.00 C ATOM 79 CG1 VAL A 68 5.880 6.964 -2.576 1.00 0.00 C ATOM 80 CG2 VAL A 68 7.867 7.412 -4.026 1.00 0.00 C ATOM 0 H VAL A 68 9.295 5.074 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 68 8.464 7.037 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 68 7.014 5.469 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.220 7.172 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.405 6.240 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.071 7.886 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.204 7.621 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.061 8.334 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.808 7.007 -4.398 1.00 0.00 H new ATOM 90 N ALA A 69 7.193 4.007 -1.138 1.00 0.00 N ATOM 91 CA ALA A 69 6.471 3.128 -0.173 1.00 0.00 C ATOM 92 C ALA A 69 7.283 3.013 1.119 1.00 0.00 C ATOM 93 O ALA A 69 6.759 3.126 2.211 1.00 0.00 O ATOM 94 CB ALA A 69 6.309 1.735 -0.788 1.00 0.00 C ATOM 0 H ALA A 69 7.502 3.546 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 69 5.492 3.554 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.782 1.087 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.738 1.810 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.292 1.315 -1.001 1.00 0.00 H new ATOM 100 N ASP A 70 8.563 2.784 0.993 1.00 0.00 N ATOM 101 CA ASP A 70 9.433 2.654 2.198 1.00 0.00 C ATOM 102 C ASP A 70 9.472 3.985 2.956 1.00 0.00 C ATOM 103 O ASP A 70 9.382 4.029 4.168 1.00 0.00 O ATOM 104 CB ASP A 70 10.855 2.290 1.757 1.00 0.00 C ATOM 105 CG ASP A 70 10.887 0.847 1.250 1.00 0.00 C ATOM 106 OD1 ASP A 70 9.919 0.140 1.471 1.00 0.00 O ATOM 107 OD2 ASP A 70 11.884 0.472 0.653 1.00 0.00 O ATOM 0 H ASP A 70 9.046 2.681 0.101 1.00 0.00 H new ATOM 0 HA ASP A 70 9.032 1.876 2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.187 2.969 0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.546 2.407 2.592 1.00 0.00 H new ATOM 112 N ASP A 71 9.612 5.069 2.240 1.00 0.00 N ATOM 113 CA ASP A 71 9.668 6.411 2.896 1.00 0.00 C ATOM 114 C ASP A 71 8.334 6.709 3.584 1.00 0.00 C ATOM 115 O ASP A 71 8.286 7.132 4.723 1.00 0.00 O ATOM 116 CB ASP A 71 9.939 7.477 1.829 1.00 0.00 C ATOM 117 CG ASP A 71 10.011 8.861 2.480 1.00 0.00 C ATOM 118 OD1 ASP A 71 9.723 8.953 3.662 1.00 0.00 O ATOM 119 OD2 ASP A 71 10.352 9.803 1.785 1.00 0.00 O ATOM 0 H ASP A 71 9.691 5.084 1.223 1.00 0.00 H new ATOM 0 HA ASP A 71 10.464 6.419 3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.875 7.259 1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.150 7.460 1.077 1.00 0.00 H new ATOM 124 N TRP A 72 7.248 6.489 2.890 1.00 0.00 N ATOM 125 CA TRP A 72 5.903 6.754 3.480 1.00 0.00 C ATOM 126 C TRP A 72 5.709 5.880 4.719 1.00 0.00 C ATOM 127 O TRP A 72 5.139 6.299 5.709 1.00 0.00 O ATOM 128 CB TRP A 72 4.822 6.419 2.449 1.00 0.00 C ATOM 129 CG TRP A 72 3.479 6.792 2.993 1.00 0.00 C ATOM 130 CD1 TRP A 72 2.846 7.965 2.762 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.601 6.017 3.859 1.00 0.00 C ATOM 132 NE1 TRP A 72 1.634 7.958 3.428 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.438 6.779 4.120 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.699 4.739 4.436 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.410 6.292 4.928 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.666 4.245 5.251 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.524 5.021 5.496 1.00 0.00 C ATOM 0 H TRP A 72 7.235 6.135 1.934 1.00 0.00 H new ATOM 0 HA TRP A 72 5.829 7.805 3.760 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.012 6.957 1.520 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.847 5.355 2.213 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.225 8.775 2.156 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.967 8.729 3.410 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.574 4.133 4.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.468 6.894 5.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.752 3.262 5.691 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.267 4.636 6.123 1.00 0.00 H new ATOM 148 N LEU A 73 6.173 4.661 4.665 1.00 0.00 N ATOM 149 CA LEU A 73 6.016 3.745 5.827 1.00 0.00 C ATOM 150 C LEU A 73 6.762 4.313 7.037 1.00 0.00 C ATOM 151 O LEU A 73 6.271 4.295 8.150 1.00 0.00 O ATOM 152 CB LEU A 73 6.598 2.368 5.473 1.00 0.00 C ATOM 153 CG LEU A 73 6.454 1.414 6.669 1.00 0.00 C ATOM 154 CD1 LEU A 73 4.968 1.267 7.042 1.00 0.00 C ATOM 155 CD2 LEU A 73 7.035 0.043 6.305 1.00 0.00 C ATOM 0 H LEU A 73 6.656 4.260 3.861 1.00 0.00 H new ATOM 0 HA LEU A 73 4.957 3.647 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.081 1.958 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.649 2.467 5.201 1.00 0.00 H new ATOM 0 HG LEU A 73 6.997 1.821 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.871 0.590 7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.561 2.243 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.418 0.864 6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.932 -0.633 7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.497 -0.365 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.090 0.150 6.052 1.00 0.00 H new ATOM 167 N LYS A 74 7.947 4.811 6.824 1.00 0.00 N ATOM 168 CA LYS A 74 8.739 5.379 7.953 1.00 0.00 C ATOM 169 C LYS A 74 8.014 6.600 8.512 1.00 0.00 C ATOM 170 O LYS A 74 7.893 6.777 9.709 1.00 0.00 O ATOM 171 CB LYS A 74 10.118 5.803 7.433 1.00 0.00 C ATOM 172 CG LYS A 74 10.912 4.579 6.950 1.00 0.00 C ATOM 173 CD LYS A 74 11.533 3.846 8.146 1.00 0.00 C ATOM 174 CE LYS A 74 12.378 2.675 7.650 1.00 0.00 C ATOM 175 NZ LYS A 74 12.982 1.978 8.821 1.00 0.00 N ATOM 0 H LYS A 74 8.404 4.850 5.913 1.00 0.00 H new ATOM 0 HA LYS A 74 8.854 4.631 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.002 6.514 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.670 6.313 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.256 3.904 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.695 4.893 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.150 4.533 8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.748 3.485 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.761 1.982 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.161 3.033 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.559 1.179 8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.582 2.643 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.227 1.625 9.443 1.00 0.00 H new ATOM 189 N GLN A 75 7.525 7.442 7.644 1.00 0.00 N ATOM 190 CA GLN A 75 6.797 8.659 8.103 1.00 0.00 C ATOM 191 C GLN A 75 5.480 8.236 8.756 1.00 0.00 C ATOM 192 O GLN A 75 5.079 8.760 9.778 1.00 0.00 O ATOM 193 CB GLN A 75 6.499 9.550 6.892 1.00 0.00 C ATOM 194 CG GLN A 75 5.817 10.845 7.347 1.00 0.00 C ATOM 195 CD GLN A 75 6.781 11.651 8.220 1.00 0.00 C ATOM 196 OE1 GLN A 75 7.960 11.724 7.938 1.00 0.00 O ATOM 197 NE2 GLN A 75 6.324 12.261 9.280 1.00 0.00 N ATOM 0 H GLN A 75 7.599 7.339 6.632 1.00 0.00 H new ATOM 0 HA GLN A 75 7.405 9.208 8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.424 9.783 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.857 9.019 6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.516 11.434 6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.910 10.614 7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.334 12.200 9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.957 12.799 9.872 1.00 0.00 H new ATOM 206 N TYR A 76 4.810 7.290 8.162 1.00 0.00 N ATOM 207 CA TYR A 76 3.513 6.814 8.717 1.00 0.00 C ATOM 208 C TYR A 76 3.777 5.900 9.918 1.00 0.00 C ATOM 209 O TYR A 76 2.870 5.495 10.617 1.00 0.00 O ATOM 210 CB TYR A 76 2.760 6.042 7.630 1.00 0.00 C ATOM 211 CG TYR A 76 1.448 5.531 8.173 1.00 0.00 C ATOM 212 CD1 TYR A 76 1.386 4.273 8.784 1.00 0.00 C ATOM 213 CD2 TYR A 76 0.292 6.315 8.066 1.00 0.00 C ATOM 214 CE1 TYR A 76 0.169 3.799 9.287 1.00 0.00 C ATOM 215 CE2 TYR A 76 -0.925 5.841 8.570 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.986 4.582 9.181 1.00 0.00 C ATOM 217 OH TYR A 76 -2.186 4.114 9.677 1.00 0.00 O ATOM 0 H TYR A 76 5.109 6.821 7.307 1.00 0.00 H new ATOM 0 HA TYR A 76 2.913 7.664 9.042 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.580 6.689 6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.367 5.208 7.279 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.277 3.668 8.867 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.340 7.285 7.595 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.121 2.828 9.757 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.816 6.446 8.488 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.886 4.782 9.523 1.00 0.00 H new ATOM 227 N ALA A 77 5.021 5.578 10.162 1.00 0.00 N ATOM 228 CA ALA A 77 5.362 4.696 11.319 1.00 0.00 C ATOM 229 C ALA A 77 5.573 5.557 12.567 1.00 0.00 C ATOM 230 O ALA A 77 5.833 5.054 13.643 1.00 0.00 O ATOM 231 CB ALA A 77 6.647 3.926 11.013 1.00 0.00 C ATOM 0 H ALA A 77 5.819 5.889 9.608 1.00 0.00 H new ATOM 0 HA ALA A 77 4.548 3.992 11.492 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.895 3.283 11.857 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.502 3.315 10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.461 4.630 10.842 1.00 0.00 H new ATOM 237 N ASN A 78 5.465 6.855 12.424 1.00 0.00 N ATOM 238 CA ASN A 78 5.656 7.774 13.592 1.00 0.00 C ATOM 239 C ASN A 78 4.300 8.342 14.017 1.00 0.00 C ATOM 240 O ASN A 78 4.170 9.502 14.352 1.00 0.00 O ATOM 241 CB ASN A 78 6.600 8.909 13.198 1.00 0.00 C ATOM 242 CG ASN A 78 8.008 8.345 12.983 1.00 0.00 C ATOM 243 OD1 ASN A 78 8.419 7.426 13.664 1.00 0.00 O ATOM 244 ND2 ASN A 78 8.769 8.857 12.054 1.00 0.00 N ATOM 0 H ASN A 78 5.251 7.322 11.543 1.00 0.00 H new ATOM 0 HA ASN A 78 6.091 7.224 14.427 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.246 9.392 12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.616 9.671 13.977 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.707 8.486 11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.426 9.628 11.481 1.00 0.00 H new ATOM 251 N ASP A 79 3.292 7.514 14.007 1.00 0.00 N ATOM 252 CA ASP A 79 1.928 7.962 14.420 1.00 0.00 C ATOM 253 C ASP A 79 1.083 6.740 14.800 1.00 0.00 C ATOM 254 O ASP A 79 -0.034 6.870 15.260 1.00 0.00 O ATOM 255 CB ASP A 79 1.249 8.723 13.274 1.00 0.00 C ATOM 256 CG ASP A 79 1.042 7.795 12.076 1.00 0.00 C ATOM 257 OD1 ASP A 79 1.493 6.664 12.139 1.00 0.00 O ATOM 258 OD2 ASP A 79 0.430 8.233 11.115 1.00 0.00 O ATOM 0 H ASP A 79 3.354 6.535 13.728 1.00 0.00 H new ATOM 0 HA ASP A 79 2.017 8.627 15.279 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.290 9.118 13.608 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.861 9.576 12.981 1.00 0.00 H new ATOM 263 N VAL A 80 1.609 5.547 14.609 1.00 0.00 N ATOM 264 CA VAL A 80 0.845 4.305 14.953 1.00 0.00 C ATOM 265 C VAL A 80 1.724 3.351 15.762 1.00 0.00 C ATOM 266 O VAL A 80 2.927 3.507 15.850 1.00 0.00 O ATOM 267 CB VAL A 80 0.374 3.609 13.675 1.00 0.00 C ATOM 268 CG1 VAL A 80 -0.680 4.475 12.982 1.00 0.00 C ATOM 269 CG2 VAL A 80 1.562 3.396 12.730 1.00 0.00 C ATOM 0 H VAL A 80 2.541 5.384 14.227 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.022 4.584 15.551 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.058 2.642 13.931 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.016 3.980 12.071 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.529 4.620 13.651 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.247 5.443 12.730 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.220 2.900 11.822 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.000 4.360 12.474 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.312 2.776 13.222 1.00 0.00 H new ATOM 279 N LYS A 81 1.108 2.373 16.363 1.00 0.00 N ATOM 280 CA LYS A 81 1.857 1.392 17.197 1.00 0.00 C ATOM 281 C LYS A 81 2.878 0.627 16.355 1.00 0.00 C ATOM 282 O LYS A 81 2.730 0.462 15.158 1.00 0.00 O ATOM 283 CB LYS A 81 0.866 0.406 17.816 1.00 0.00 C ATOM 284 CG LYS A 81 -0.006 1.138 18.842 1.00 0.00 C ATOM 285 CD LYS A 81 -1.092 0.194 19.373 1.00 0.00 C ATOM 286 CE LYS A 81 -0.485 -0.793 20.377 1.00 0.00 C ATOM 287 NZ LYS A 81 -1.577 -1.523 21.078 1.00 0.00 N ATOM 0 H LYS A 81 0.103 2.209 16.311 1.00 0.00 H new ATOM 0 HA LYS A 81 2.392 1.931 17.979 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.241 -0.034 17.039 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.402 -0.413 18.296 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.611 1.497 19.666 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.466 2.013 18.383 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.884 0.770 19.851 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.548 -0.350 18.546 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.166 -1.499 19.861 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.133 -0.260 21.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.165 -2.193 21.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.181 -0.843 21.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.148 -2.044 20.383 1.00 0.00 H new ATOM 301 N VAL A 82 3.921 0.170 16.992 1.00 0.00 N ATOM 302 CA VAL A 82 4.991 -0.583 16.277 1.00 0.00 C ATOM 303 C VAL A 82 4.416 -1.868 15.676 1.00 0.00 C ATOM 304 O VAL A 82 4.709 -2.226 14.551 1.00 0.00 O ATOM 305 CB VAL A 82 6.101 -0.947 17.269 1.00 0.00 C ATOM 306 CG1 VAL A 82 7.157 -1.799 16.561 1.00 0.00 C ATOM 307 CG2 VAL A 82 6.755 0.330 17.806 1.00 0.00 C ATOM 0 H VAL A 82 4.080 0.288 17.993 1.00 0.00 H new ATOM 0 HA VAL A 82 5.393 0.040 15.478 1.00 0.00 H new ATOM 0 HB VAL A 82 5.672 -1.509 18.099 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.947 -2.059 17.265 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.695 -2.711 16.182 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.582 -1.235 15.730 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.543 0.066 18.511 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.183 0.896 16.978 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.005 0.938 18.312 1.00 0.00 H new ATOM 317 N SER A 83 3.607 -2.568 16.426 1.00 0.00 N ATOM 318 CA SER A 83 3.012 -3.840 15.913 1.00 0.00 C ATOM 319 C SER A 83 2.178 -3.551 14.663 1.00 0.00 C ATOM 320 O SER A 83 2.147 -4.329 13.727 1.00 0.00 O ATOM 321 CB SER A 83 2.113 -4.447 16.992 1.00 0.00 C ATOM 322 OG SER A 83 1.095 -3.513 17.341 1.00 0.00 O ATOM 0 H SER A 83 3.331 -2.314 17.375 1.00 0.00 H new ATOM 0 HA SER A 83 3.810 -4.538 15.662 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.664 -5.372 16.629 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.704 -4.703 17.871 1.00 0.00 H new ATOM 0 HG SER A 83 0.517 -3.901 18.031 1.00 0.00 H new ATOM 328 N SER A 84 1.510 -2.434 14.644 1.00 0.00 N ATOM 329 CA SER A 84 0.677 -2.068 13.462 1.00 0.00 C ATOM 330 C SER A 84 1.578 -1.900 12.235 1.00 0.00 C ATOM 331 O SER A 84 1.242 -2.304 11.138 1.00 0.00 O ATOM 332 CB SER A 84 -0.044 -0.750 13.743 1.00 0.00 C ATOM 333 OG SER A 84 -0.865 -0.417 12.631 1.00 0.00 O ATOM 0 H SER A 84 1.504 -1.752 15.402 1.00 0.00 H new ATOM 0 HA SER A 84 -0.054 -2.854 13.272 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.651 -0.839 14.644 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.681 0.043 13.925 1.00 0.00 H new ATOM 0 HG SER A 84 -1.330 0.427 12.809 1.00 0.00 H new ATOM 339 N VAL A 85 2.720 -1.293 12.424 1.00 0.00 N ATOM 340 CA VAL A 85 3.661 -1.070 11.287 1.00 0.00 C ATOM 341 C VAL A 85 4.102 -2.416 10.706 1.00 0.00 C ATOM 342 O VAL A 85 4.139 -2.606 9.505 1.00 0.00 O ATOM 343 CB VAL A 85 4.897 -0.319 11.797 1.00 0.00 C ATOM 344 CG1 VAL A 85 5.919 -0.179 10.665 1.00 0.00 C ATOM 345 CG2 VAL A 85 4.488 1.070 12.287 1.00 0.00 C ATOM 0 H VAL A 85 3.044 -0.939 13.324 1.00 0.00 H new ATOM 0 HA VAL A 85 3.160 -0.487 10.514 1.00 0.00 H new ATOM 0 HB VAL A 85 5.342 -0.878 12.620 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.796 0.355 11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.215 -1.169 10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.474 0.377 9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.368 1.602 12.649 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.039 1.628 11.465 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.765 0.972 13.097 1.00 0.00 H new ATOM 355 N ARG A 86 4.444 -3.347 11.555 1.00 0.00 N ATOM 356 CA ARG A 86 4.898 -4.685 11.068 1.00 0.00 C ATOM 357 C ARG A 86 3.768 -5.360 10.283 1.00 0.00 C ATOM 358 O ARG A 86 3.972 -5.895 9.208 1.00 0.00 O ATOM 359 CB ARG A 86 5.258 -5.559 12.276 1.00 0.00 C ATOM 360 CG ARG A 86 6.552 -5.050 12.916 1.00 0.00 C ATOM 361 CD ARG A 86 6.870 -5.868 14.176 1.00 0.00 C ATOM 362 NE ARG A 86 7.145 -7.283 13.795 1.00 0.00 N ATOM 363 CZ ARG A 86 7.347 -8.194 14.713 1.00 0.00 C ATOM 364 NH1 ARG A 86 7.299 -7.880 15.981 1.00 0.00 N ATOM 365 NH2 ARG A 86 7.597 -9.424 14.359 1.00 0.00 N ATOM 0 H ARG A 86 4.429 -3.240 12.569 1.00 0.00 H new ATOM 0 HA ARG A 86 5.766 -4.561 10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.448 -5.539 13.005 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.380 -6.596 11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.374 -5.127 12.205 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.451 -3.996 13.173 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.733 -5.444 14.689 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.032 -5.824 14.872 1.00 0.00 H new ATOM 0 HE ARG A 86 7.176 -7.544 12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.103 -6.919 16.261 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.458 -8.596 16.690 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.634 -9.673 13.370 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.755 -10.137 15.071 1.00 0.00 H new ATOM 379 N ALA A 87 2.578 -5.335 10.818 1.00 0.00 N ATOM 380 CA ALA A 87 1.424 -5.972 10.120 1.00 0.00 C ATOM 381 C ALA A 87 1.090 -5.179 8.853 1.00 0.00 C ATOM 382 O ALA A 87 0.763 -5.738 7.824 1.00 0.00 O ATOM 383 CB ALA A 87 0.210 -5.973 11.052 1.00 0.00 C ATOM 0 H ALA A 87 2.354 -4.899 11.712 1.00 0.00 H new ATOM 0 HA ALA A 87 1.682 -6.996 9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.636 -6.438 10.546 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.446 -6.535 11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.045 -4.947 11.318 1.00 0.00 H new ATOM 389 N ARG A 88 1.164 -3.876 8.932 1.00 0.00 N ATOM 390 CA ARG A 88 0.847 -3.028 7.747 1.00 0.00 C ATOM 391 C ARG A 88 1.916 -3.229 6.671 1.00 0.00 C ATOM 392 O ARG A 88 1.620 -3.305 5.495 1.00 0.00 O ATOM 393 CB ARG A 88 0.816 -1.554 8.164 1.00 0.00 C ATOM 394 CG ARG A 88 0.388 -0.695 6.970 1.00 0.00 C ATOM 395 CD ARG A 88 0.347 0.778 7.380 1.00 0.00 C ATOM 396 NE ARG A 88 -0.668 0.971 8.456 1.00 0.00 N ATOM 397 CZ ARG A 88 -1.938 1.096 8.168 1.00 0.00 C ATOM 398 NH1 ARG A 88 -2.348 1.060 6.928 1.00 0.00 N ATOM 399 NH2 ARG A 88 -2.802 1.261 9.131 1.00 0.00 N ATOM 0 H ARG A 88 1.432 -3.361 9.771 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.127 -3.314 7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.123 -1.414 8.993 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.800 -1.243 8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.085 -0.833 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.593 -1.011 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.329 1.095 7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.101 1.399 6.519 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.368 1.006 9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.675 0.933 6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.341 1.159 6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.486 1.292 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.794 1.359 8.915 1.00 0.00 H new ATOM 413 N GLU A 89 3.160 -3.308 7.071 1.00 0.00 N ATOM 414 CA GLU A 89 4.262 -3.493 6.081 1.00 0.00 C ATOM 415 C GLU A 89 4.002 -4.761 5.269 1.00 0.00 C ATOM 416 O GLU A 89 4.160 -4.786 4.064 1.00 0.00 O ATOM 417 CB GLU A 89 5.597 -3.628 6.823 1.00 0.00 C ATOM 418 CG GLU A 89 6.740 -3.733 5.807 1.00 0.00 C ATOM 419 CD GLU A 89 8.085 -3.788 6.539 1.00 0.00 C ATOM 420 OE1 GLU A 89 8.078 -3.985 7.743 1.00 0.00 O ATOM 421 OE2 GLU A 89 9.100 -3.626 5.881 1.00 0.00 O ATOM 0 H GLU A 89 3.460 -3.252 8.044 1.00 0.00 H new ATOM 0 HA GLU A 89 4.303 -2.632 5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.752 -2.767 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.582 -4.511 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.613 -4.626 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.718 -2.877 5.132 1.00 0.00 H new ATOM 428 N LYS A 90 3.594 -5.811 5.928 1.00 0.00 N ATOM 429 CA LYS A 90 3.306 -7.091 5.213 1.00 0.00 C ATOM 430 C LYS A 90 2.119 -6.891 4.264 1.00 0.00 C ATOM 431 O LYS A 90 2.080 -7.426 3.172 1.00 0.00 O ATOM 432 CB LYS A 90 2.965 -8.178 6.237 1.00 0.00 C ATOM 433 CG LYS A 90 4.211 -8.519 7.060 1.00 0.00 C ATOM 434 CD LYS A 90 3.873 -9.605 8.086 1.00 0.00 C ATOM 435 CE LYS A 90 5.127 -9.954 8.894 1.00 0.00 C ATOM 436 NZ LYS A 90 4.796 -11.002 9.902 1.00 0.00 N ATOM 0 H LYS A 90 3.446 -5.839 6.937 1.00 0.00 H new ATOM 0 HA LYS A 90 4.182 -7.393 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.166 -7.835 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.598 -9.069 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.010 -8.863 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.578 -7.627 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.083 -9.257 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.495 -10.493 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.913 -10.310 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.510 -9.064 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.648 -11.238 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.059 -10.646 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.450 -11.854 9.416 1.00 0.00 H new ATOM 450 N ALA A 91 1.144 -6.131 4.687 1.00 0.00 N ATOM 451 CA ALA A 91 -0.060 -5.893 3.833 1.00 0.00 C ATOM 452 C ALA A 91 0.342 -5.214 2.519 1.00 0.00 C ATOM 453 O ALA A 91 -0.091 -5.605 1.450 1.00 0.00 O ATOM 454 CB ALA A 91 -1.033 -4.983 4.585 1.00 0.00 C ATOM 0 H ALA A 91 1.128 -5.662 5.592 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.530 -6.851 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.914 -4.804 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.333 -5.462 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.546 -4.033 4.806 1.00 0.00 H new ATOM 460 N ILE A 92 1.160 -4.197 2.590 1.00 0.00 N ATOM 461 CA ILE A 92 1.589 -3.485 1.347 1.00 0.00 C ATOM 462 C ILE A 92 2.713 -4.271 0.666 1.00 0.00 C ATOM 463 O ILE A 92 3.038 -4.046 -0.484 1.00 0.00 O ATOM 464 CB ILE A 92 2.083 -2.075 1.706 1.00 0.00 C ATOM 465 CG1 ILE A 92 3.217 -2.164 2.733 1.00 0.00 C ATOM 466 CG2 ILE A 92 0.929 -1.261 2.298 1.00 0.00 C ATOM 467 CD1 ILE A 92 3.794 -0.768 2.983 1.00 0.00 C ATOM 0 H ILE A 92 1.551 -3.827 3.456 1.00 0.00 H new ATOM 0 HA ILE A 92 0.743 -3.406 0.664 1.00 0.00 H new ATOM 0 HB ILE A 92 2.451 -1.588 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.844 -2.587 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.998 -2.832 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.282 -0.261 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.124 -1.187 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.559 -1.754 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.600 -0.833 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.183 -0.362 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.010 -0.113 3.365 1.00 0.00 H new ATOM 479 N GLN A 93 3.309 -5.189 1.378 1.00 0.00 N ATOM 480 CA GLN A 93 4.423 -5.998 0.798 1.00 0.00 C ATOM 481 C GLN A 93 3.910 -6.796 -0.405 1.00 0.00 C ATOM 482 O GLN A 93 4.591 -6.945 -1.403 1.00 0.00 O ATOM 483 CB GLN A 93 4.946 -6.970 1.863 1.00 0.00 C ATOM 484 CG GLN A 93 6.202 -7.684 1.355 1.00 0.00 C ATOM 485 CD GLN A 93 7.344 -6.674 1.203 1.00 0.00 C ATOM 486 OE1 GLN A 93 7.445 -5.999 0.197 1.00 0.00 O ATOM 487 NE2 GLN A 93 8.214 -6.540 2.166 1.00 0.00 N ATOM 0 H GLN A 93 3.071 -5.416 2.344 1.00 0.00 H new ATOM 0 HA GLN A 93 5.225 -5.333 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.173 -6.428 2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.176 -7.702 2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.491 -8.472 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.998 -8.163 0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.131 -7.106 3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.977 -5.870 2.074 1.00 0.00 H new ATOM 496 N HIS A 94 2.713 -7.309 -0.314 1.00 0.00 N ATOM 497 CA HIS A 94 2.141 -8.101 -1.443 1.00 0.00 C ATOM 498 C HIS A 94 2.088 -7.235 -2.706 1.00 0.00 C ATOM 499 O HIS A 94 2.434 -7.670 -3.788 1.00 0.00 O ATOM 500 CB HIS A 94 0.720 -8.543 -1.077 1.00 0.00 C ATOM 501 CG HIS A 94 0.770 -9.523 0.063 1.00 0.00 C ATOM 502 ND1 HIS A 94 1.160 -10.841 -0.115 1.00 0.00 N ATOM 503 CD2 HIS A 94 0.482 -9.394 1.400 1.00 0.00 C ATOM 504 CE1 HIS A 94 1.099 -11.447 1.084 1.00 0.00 C ATOM 505 NE2 HIS A 94 0.691 -10.611 2.043 1.00 0.00 N ATOM 0 H HIS A 94 2.103 -7.214 0.498 1.00 0.00 H new ATOM 0 HA HIS A 94 2.767 -8.974 -1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.120 -7.677 -0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.237 -9.000 -1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.145 -8.487 1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.350 -12.484 1.251 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.561 -10.819 3.033 1.00 0.00 H new ATOM 513 N ALA A 95 1.648 -6.010 -2.571 1.00 0.00 N ATOM 514 CA ALA A 95 1.560 -5.102 -3.754 1.00 0.00 C ATOM 515 C ALA A 95 2.963 -4.798 -4.289 1.00 0.00 C ATOM 516 O ALA A 95 3.197 -4.793 -5.483 1.00 0.00 O ATOM 517 CB ALA A 95 0.894 -3.790 -3.331 1.00 0.00 C ATOM 0 H ALA A 95 1.345 -5.598 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 95 0.974 -5.588 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.827 -3.123 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.107 -3.996 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.488 -3.316 -2.549 1.00 0.00 H new ATOM 523 N ILE A 96 3.894 -4.537 -3.409 1.00 0.00 N ATOM 524 CA ILE A 96 5.287 -4.223 -3.850 1.00 0.00 C ATOM 525 C ILE A 96 5.903 -5.446 -4.540 1.00 0.00 C ATOM 526 O ILE A 96 6.555 -5.337 -5.560 1.00 0.00 O ATOM 527 CB ILE A 96 6.140 -3.852 -2.626 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.658 -2.516 -2.044 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.609 -3.722 -3.044 1.00 0.00 C ATOM 530 CD1 ILE A 96 6.325 -2.268 -0.685 1.00 0.00 C ATOM 0 H ILE A 96 3.750 -4.528 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 96 5.260 -3.387 -4.549 1.00 0.00 H new ATOM 0 HB ILE A 96 6.042 -4.633 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.897 -1.703 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.574 -2.529 -1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.213 -3.459 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.956 -4.671 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.704 -2.944 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.979 -1.318 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.064 -3.074 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.407 -2.235 -0.811 1.00 0.00 H new ATOM 542 N GLU A 97 5.717 -6.604 -3.968 1.00 0.00 N ATOM 543 CA GLU A 97 6.303 -7.844 -4.559 1.00 0.00 C ATOM 544 C GLU A 97 5.544 -8.247 -5.829 1.00 0.00 C ATOM 545 O GLU A 97 6.130 -8.544 -6.851 1.00 0.00 O ATOM 546 CB GLU A 97 6.201 -8.976 -3.533 1.00 0.00 C ATOM 547 CG GLU A 97 7.067 -8.650 -2.313 1.00 0.00 C ATOM 548 CD GLU A 97 8.543 -8.644 -2.714 1.00 0.00 C ATOM 549 OE1 GLU A 97 8.866 -9.249 -3.724 1.00 0.00 O ATOM 550 OE2 GLU A 97 9.327 -8.034 -2.005 1.00 0.00 O ATOM 0 H GLU A 97 5.181 -6.747 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 97 7.345 -7.656 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.163 -9.110 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.526 -9.915 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.787 -7.678 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.897 -9.386 -1.527 1.00 0.00 H new ATOM 557 N ARG A 98 4.241 -8.282 -5.757 1.00 0.00 N ATOM 558 CA ARG A 98 3.426 -8.692 -6.941 1.00 0.00 C ATOM 559 C ARG A 98 3.554 -7.673 -8.068 1.00 0.00 C ATOM 560 O ARG A 98 3.639 -8.025 -9.228 1.00 0.00 O ATOM 561 CB ARG A 98 1.959 -8.799 -6.517 1.00 0.00 C ATOM 562 CG ARG A 98 1.774 -9.983 -5.551 1.00 0.00 C ATOM 563 CD ARG A 98 1.627 -11.287 -6.346 1.00 0.00 C ATOM 564 NE ARG A 98 1.532 -12.439 -5.408 1.00 0.00 N ATOM 565 CZ ARG A 98 1.950 -13.626 -5.770 1.00 0.00 C ATOM 566 NH1 ARG A 98 2.460 -13.816 -6.960 1.00 0.00 N ATOM 567 NH2 ARG A 98 1.856 -14.624 -4.940 1.00 0.00 N ATOM 0 H ARG A 98 3.701 -8.043 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 98 3.789 -9.653 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.643 -7.874 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.327 -8.933 -7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.629 -10.052 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.892 -9.823 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.737 -11.243 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.481 -11.417 -7.011 1.00 0.00 H new ATOM 0 HE ARG A 98 1.139 -12.303 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.534 -13.036 -7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.783 -14.744 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.458 -14.480 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.180 -15.550 -5.218 1.00 0.00 H new ATOM 581 N PHE A 99 3.565 -6.413 -7.738 1.00 0.00 N ATOM 582 CA PHE A 99 3.684 -5.351 -8.783 1.00 0.00 C ATOM 583 C PHE A 99 5.130 -4.836 -8.798 1.00 0.00 C ATOM 584 O PHE A 99 5.419 -3.756 -9.274 1.00 0.00 O ATOM 585 CB PHE A 99 2.691 -4.219 -8.478 1.00 0.00 C ATOM 586 CG PHE A 99 1.293 -4.793 -8.279 1.00 0.00 C ATOM 587 CD1 PHE A 99 0.678 -5.531 -9.305 1.00 0.00 C ATOM 588 CD2 PHE A 99 0.608 -4.582 -7.072 1.00 0.00 C ATOM 589 CE1 PHE A 99 -0.609 -6.055 -9.121 1.00 0.00 C ATOM 590 CE2 PHE A 99 -0.681 -5.107 -6.893 1.00 0.00 C ATOM 591 CZ PHE A 99 -1.289 -5.842 -7.916 1.00 0.00 C ATOM 0 H PHE A 99 3.496 -6.067 -6.781 1.00 0.00 H new ATOM 0 HA PHE A 99 3.444 -5.752 -9.768 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.003 -3.681 -7.583 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.685 -3.499 -9.296 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.198 -5.695 -10.237 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.074 -4.015 -6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.077 -6.624 -9.911 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.205 -4.943 -5.963 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.281 -6.245 -7.777 1.00 0.00 H new ATOM 601 N ASN A 100 6.041 -5.625 -8.275 1.00 0.00 N ATOM 602 CA ASN A 100 7.484 -5.230 -8.240 1.00 0.00 C ATOM 603 C ASN A 100 7.943 -4.789 -9.633 1.00 0.00 C ATOM 604 O ASN A 100 8.701 -3.849 -9.784 1.00 0.00 O ATOM 605 CB ASN A 100 8.326 -6.438 -7.795 1.00 0.00 C ATOM 606 CG ASN A 100 8.306 -7.530 -8.876 1.00 0.00 C ATOM 607 OD1 ASN A 100 9.272 -7.709 -9.593 1.00 0.00 O ATOM 608 ND2 ASN A 100 7.244 -8.274 -9.021 1.00 0.00 N ATOM 0 H ASN A 100 5.841 -6.538 -7.866 1.00 0.00 H new ATOM 0 HA ASN A 100 7.611 -4.403 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.352 -6.124 -7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.936 -6.837 -6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.226 -9.003 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.432 -8.126 -8.421 1.00 0.00 H new ATOM 615 N THR A 101 7.496 -5.473 -10.649 1.00 0.00 N ATOM 616 CA THR A 101 7.906 -5.121 -12.042 1.00 0.00 C ATOM 617 C THR A 101 6.926 -4.102 -12.623 1.00 0.00 C ATOM 618 O THR A 101 7.112 -3.612 -13.719 1.00 0.00 O ATOM 619 CB THR A 101 7.900 -6.390 -12.916 1.00 0.00 C ATOM 620 OG1 THR A 101 7.485 -6.060 -14.235 1.00 0.00 O ATOM 621 CG2 THR A 101 6.936 -7.427 -12.328 1.00 0.00 C ATOM 0 H THR A 101 6.860 -6.267 -10.576 1.00 0.00 H new ATOM 0 HA THR A 101 8.908 -4.693 -12.026 1.00 0.00 H new ATOM 0 HB THR A 101 8.907 -6.807 -12.941 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.483 -6.868 -14.789 1.00 0.00 H new ATOM 0 HG21 THR A 101 6.938 -8.321 -12.952 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.254 -7.688 -11.319 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.929 -7.010 -12.295 1.00 0.00 H new ATOM 629 N LYS A 102 5.883 -3.780 -11.896 1.00 0.00 N ATOM 630 CA LYS A 102 4.880 -2.787 -12.401 1.00 0.00 C ATOM 631 C LYS A 102 4.993 -1.487 -11.586 1.00 0.00 C ATOM 632 O LYS A 102 4.513 -1.414 -10.472 1.00 0.00 O ATOM 633 CB LYS A 102 3.464 -3.372 -12.252 1.00 0.00 C ATOM 634 CG LYS A 102 3.066 -4.074 -13.557 1.00 0.00 C ATOM 635 CD LYS A 102 4.073 -5.188 -13.859 1.00 0.00 C ATOM 636 CE LYS A 102 3.494 -6.128 -14.912 1.00 0.00 C ATOM 637 NZ LYS A 102 2.202 -6.681 -14.420 1.00 0.00 N ATOM 0 H LYS A 102 5.682 -4.163 -10.972 1.00 0.00 H new ATOM 0 HA LYS A 102 5.073 -2.572 -13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.435 -4.078 -11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.753 -2.579 -12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.062 -4.489 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.043 -3.356 -14.377 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.010 -4.759 -14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.302 -5.742 -12.949 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.341 -5.593 -15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.194 -6.937 -15.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.134 -7.686 -14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.155 -6.585 -13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.414 -6.158 -14.852 1.00 0.00 H new ATOM 651 N PRO A 103 5.600 -0.465 -12.139 1.00 0.00 N ATOM 652 CA PRO A 103 5.743 0.844 -11.448 1.00 0.00 C ATOM 653 C PRO A 103 4.396 1.397 -10.965 1.00 0.00 C ATOM 654 O PRO A 103 3.352 1.122 -11.524 1.00 0.00 O ATOM 655 CB PRO A 103 6.363 1.765 -12.515 1.00 0.00 C ATOM 656 CG PRO A 103 7.031 0.849 -13.489 1.00 0.00 C ATOM 657 CD PRO A 103 6.237 -0.450 -13.469 1.00 0.00 C ATOM 0 HA PRO A 103 6.353 0.760 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.599 2.370 -13.004 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.079 2.456 -12.070 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.040 1.284 -14.488 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.070 0.674 -13.209 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.494 -0.475 -14.266 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.885 -1.315 -13.610 1.00 0.00 H new ATOM 665 N ILE A 104 4.431 2.168 -9.914 1.00 0.00 N ATOM 666 CA ILE A 104 3.182 2.752 -9.351 1.00 0.00 C ATOM 667 C ILE A 104 2.400 3.479 -10.449 1.00 0.00 C ATOM 668 O ILE A 104 1.186 3.558 -10.416 1.00 0.00 O ATOM 669 CB ILE A 104 3.553 3.743 -8.240 1.00 0.00 C ATOM 670 CG1 ILE A 104 2.281 4.211 -7.527 1.00 0.00 C ATOM 671 CG2 ILE A 104 4.276 4.953 -8.841 1.00 0.00 C ATOM 672 CD1 ILE A 104 2.651 4.971 -6.251 1.00 0.00 C ATOM 0 H ILE A 104 5.284 2.421 -9.415 1.00 0.00 H new ATOM 0 HA ILE A 104 2.559 1.955 -8.945 1.00 0.00 H new ATOM 0 HB ILE A 104 4.212 3.250 -7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.698 4.853 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.654 3.354 -7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.537 5.653 -8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.184 4.621 -9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.622 5.447 -9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.742 5.302 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.215 4.315 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.260 5.838 -6.508 1.00 0.00 H new ATOM 684 N GLN A 105 3.091 4.018 -11.413 1.00 0.00 N ATOM 685 CA GLN A 105 2.410 4.756 -12.518 1.00 0.00 C ATOM 686 C GLN A 105 1.595 3.789 -13.387 1.00 0.00 C ATOM 687 O GLN A 105 0.709 4.194 -14.114 1.00 0.00 O ATOM 688 CB GLN A 105 3.466 5.438 -13.393 1.00 0.00 C ATOM 689 CG GLN A 105 4.162 6.536 -12.588 1.00 0.00 C ATOM 690 CD GLN A 105 5.227 7.218 -13.453 1.00 0.00 C ATOM 691 OE1 GLN A 105 4.962 7.606 -14.574 1.00 0.00 O ATOM 692 NE2 GLN A 105 6.431 7.382 -12.973 1.00 0.00 N ATOM 0 H GLN A 105 4.108 3.980 -11.485 1.00 0.00 H new ATOM 0 HA GLN A 105 1.739 5.497 -12.084 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.197 4.706 -13.737 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.998 5.864 -14.281 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.431 7.270 -12.249 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.623 6.110 -11.697 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.654 7.057 -12.032 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.148 7.836 -13.539 1.00 0.00 H new ATOM 701 N THR A 106 1.901 2.517 -13.340 1.00 0.00 N ATOM 702 CA THR A 106 1.157 1.532 -14.188 1.00 0.00 C ATOM 703 C THR A 106 -0.015 0.919 -13.406 1.00 0.00 C ATOM 704 O THR A 106 -0.776 0.132 -13.936 1.00 0.00 O ATOM 705 CB THR A 106 2.120 0.420 -14.630 1.00 0.00 C ATOM 706 OG1 THR A 106 2.500 -0.363 -13.505 1.00 0.00 O ATOM 707 CG2 THR A 106 3.368 1.043 -15.265 1.00 0.00 C ATOM 0 H THR A 106 2.633 2.117 -12.752 1.00 0.00 H new ATOM 0 HA THR A 106 0.757 2.048 -15.061 1.00 0.00 H new ATOM 0 HB THR A 106 1.621 -0.217 -15.360 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.001 0.194 -12.873 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.050 0.253 -15.578 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.078 1.636 -16.132 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.865 1.684 -14.537 1.00 0.00 H new ATOM 715 N ILE A 107 -0.174 1.275 -12.158 1.00 0.00 N ATOM 716 CA ILE A 107 -1.304 0.707 -11.359 1.00 0.00 C ATOM 717 C ILE A 107 -2.600 1.433 -11.717 1.00 0.00 C ATOM 718 O ILE A 107 -2.672 2.647 -11.696 1.00 0.00 O ATOM 719 CB ILE A 107 -1.023 0.868 -9.863 1.00 0.00 C ATOM 720 CG1 ILE A 107 0.208 0.034 -9.496 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.232 0.384 -9.057 1.00 0.00 C ATOM 722 CD1 ILE A 107 0.625 0.324 -8.052 1.00 0.00 C ATOM 0 H ILE A 107 0.426 1.931 -11.658 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.404 -0.354 -11.590 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.839 1.918 -9.633 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.013 -1.027 -9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.030 0.265 -10.174 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.029 0.500 -7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.108 0.974 -9.326 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.420 -0.667 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.501 -0.273 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.865 1.382 -7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.194 0.070 -7.379 1.00 0.00 H new ATOM 734 N LYS A 108 -3.622 0.688 -12.054 1.00 0.00 N ATOM 735 CA LYS A 108 -4.933 1.306 -12.433 1.00 0.00 C ATOM 736 C LYS A 108 -6.002 0.985 -11.389 1.00 0.00 C ATOM 737 O LYS A 108 -5.740 0.387 -10.363 1.00 0.00 O ATOM 738 CB LYS A 108 -5.377 0.750 -13.785 1.00 0.00 C ATOM 739 CG LYS A 108 -4.415 1.232 -14.872 1.00 0.00 C ATOM 740 CD LYS A 108 -4.920 0.791 -16.252 1.00 0.00 C ATOM 741 CE LYS A 108 -4.753 -0.725 -16.418 1.00 0.00 C ATOM 742 NZ LYS A 108 -4.900 -1.086 -17.855 1.00 0.00 N ATOM 0 H LYS A 108 -3.606 -0.331 -12.084 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.807 2.387 -12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.393 -0.339 -13.755 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.392 1.078 -14.010 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.328 2.318 -14.837 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.419 0.827 -14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.969 1.063 -16.367 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.367 1.313 -17.033 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.775 -1.036 -16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.498 -1.251 -15.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.787 -2.114 -17.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.843 -0.803 -18.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.173 -0.594 -18.413 1.00 0.00 H new ATOM 756 N LYS A 109 -7.212 1.394 -11.665 1.00 0.00 N ATOM 757 CA LYS A 109 -8.340 1.145 -10.723 1.00 0.00 C ATOM 758 C LYS A 109 -8.592 -0.360 -10.599 1.00 0.00 C ATOM 759 O LYS A 109 -8.824 -0.876 -9.522 1.00 0.00 O ATOM 760 CB LYS A 109 -9.605 1.828 -11.261 1.00 0.00 C ATOM 761 CG LYS A 109 -9.438 3.351 -11.207 1.00 0.00 C ATOM 762 CD LYS A 109 -10.712 4.034 -11.719 1.00 0.00 C ATOM 763 CE LYS A 109 -10.561 5.554 -11.603 1.00 0.00 C ATOM 764 NZ LYS A 109 -9.424 6.010 -12.451 1.00 0.00 N ATOM 0 H LYS A 109 -7.469 1.897 -12.515 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.088 1.549 -9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.792 1.510 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.471 1.527 -10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.231 3.667 -10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.584 3.654 -11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.895 3.755 -12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.574 3.699 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.482 6.046 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.388 5.834 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.628 6.290 -11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.126 5.235 -13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.724 6.824 -13.025 1.00 0.00 H new ATOM 778 N HIS A 110 -8.555 -1.065 -11.699 1.00 0.00 N ATOM 779 CA HIS A 110 -8.798 -2.537 -11.661 1.00 0.00 C ATOM 780 C HIS A 110 -7.722 -3.209 -10.805 1.00 0.00 C ATOM 781 O HIS A 110 -8.007 -4.046 -9.969 1.00 0.00 O ATOM 782 CB HIS A 110 -8.740 -3.097 -13.084 1.00 0.00 C ATOM 783 CG HIS A 110 -9.933 -2.612 -13.862 1.00 0.00 C ATOM 784 ND1 HIS A 110 -9.940 -1.393 -14.522 1.00 0.00 N ATOM 785 CD2 HIS A 110 -11.166 -3.169 -14.089 1.00 0.00 C ATOM 786 CE1 HIS A 110 -11.143 -1.258 -15.109 1.00 0.00 C ATOM 787 NE2 HIS A 110 -11.930 -2.312 -14.877 1.00 0.00 N ATOM 0 H HIS A 110 -8.366 -0.683 -12.626 1.00 0.00 H new ATOM 0 HA HIS A 110 -9.780 -2.734 -11.231 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -7.819 -2.780 -13.574 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -8.728 -4.187 -13.057 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.494 -4.127 -13.713 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -11.437 -0.401 -15.697 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -12.884 -2.458 -15.206 1.00 0.00 H new ATOM 795 N ASP A 111 -6.487 -2.837 -11.006 1.00 0.00 N ATOM 796 CA ASP A 111 -5.378 -3.432 -10.206 1.00 0.00 C ATOM 797 C ASP A 111 -5.536 -3.004 -8.747 1.00 0.00 C ATOM 798 O ASP A 111 -5.267 -3.755 -7.828 1.00 0.00 O ATOM 799 CB ASP A 111 -4.037 -2.929 -10.749 1.00 0.00 C ATOM 800 CG ASP A 111 -2.887 -3.514 -9.924 1.00 0.00 C ATOM 801 OD1 ASP A 111 -3.165 -4.153 -8.924 1.00 0.00 O ATOM 802 OD2 ASP A 111 -1.747 -3.310 -10.309 1.00 0.00 O ATOM 0 H ASP A 111 -6.197 -2.142 -11.694 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.409 -4.519 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.928 -3.216 -11.795 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.005 -1.840 -10.712 1.00 0.00 H new ATOM 807 N TYR A 112 -5.980 -1.793 -8.537 1.00 0.00 N ATOM 808 CA TYR A 112 -6.171 -1.284 -7.147 1.00 0.00 C ATOM 809 C TYR A 112 -7.207 -2.150 -6.426 1.00 0.00 C ATOM 810 O TYR A 112 -7.029 -2.532 -5.284 1.00 0.00 O ATOM 811 CB TYR A 112 -6.674 0.160 -7.202 1.00 0.00 C ATOM 812 CG TYR A 112 -6.956 0.650 -5.801 1.00 0.00 C ATOM 813 CD1 TYR A 112 -5.938 1.258 -5.057 1.00 0.00 C ATOM 814 CD2 TYR A 112 -8.231 0.493 -5.246 1.00 0.00 C ATOM 815 CE1 TYR A 112 -6.196 1.709 -3.757 1.00 0.00 C ATOM 816 CE2 TYR A 112 -8.489 0.945 -3.946 1.00 0.00 C ATOM 817 CZ TYR A 112 -7.471 1.552 -3.201 1.00 0.00 C ATOM 818 OH TYR A 112 -7.725 1.997 -1.921 1.00 0.00 O ATOM 0 H TYR A 112 -6.220 -1.130 -9.274 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.223 -1.324 -6.611 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.929 0.798 -7.679 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.578 0.218 -7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.954 1.379 -5.486 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -9.016 0.023 -5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.411 2.178 -3.183 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -9.473 0.825 -3.518 1.00 0.00 H new ATOM 0 HH TYR A 112 -7.446 2.933 -1.839 1.00 0.00 H new ATOM 828 N GLN A 113 -8.288 -2.459 -7.089 1.00 0.00 N ATOM 829 CA GLN A 113 -9.347 -3.300 -6.459 1.00 0.00 C ATOM 830 C GLN A 113 -8.784 -4.694 -6.164 1.00 0.00 C ATOM 831 O GLN A 113 -9.100 -5.306 -5.161 1.00 0.00 O ATOM 832 CB GLN A 113 -10.539 -3.423 -7.421 1.00 0.00 C ATOM 833 CG GLN A 113 -11.378 -2.142 -7.380 1.00 0.00 C ATOM 834 CD GLN A 113 -12.095 -2.044 -6.033 1.00 0.00 C ATOM 835 OE1 GLN A 113 -13.052 -2.753 -5.785 1.00 0.00 O ATOM 836 NE2 GLN A 113 -11.660 -1.201 -5.138 1.00 0.00 N ATOM 0 H GLN A 113 -8.485 -2.164 -8.045 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.675 -2.837 -5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.182 -3.602 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.154 -4.279 -7.144 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.739 -1.271 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.105 -2.145 -8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.858 -0.606 -5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.122 -1.137 -4.231 1.00 0.00 H new ATOM 845 N ARG A 114 -7.956 -5.197 -7.039 1.00 0.00 N ATOM 846 CA ARG A 114 -7.366 -6.553 -6.834 1.00 0.00 C ATOM 847 C ARG A 114 -6.561 -6.577 -5.533 1.00 0.00 C ATOM 848 O ARG A 114 -6.634 -7.513 -4.761 1.00 0.00 O ATOM 849 CB ARG A 114 -6.438 -6.883 -8.009 1.00 0.00 C ATOM 850 CG ARG A 114 -5.894 -8.306 -7.846 1.00 0.00 C ATOM 851 CD ARG A 114 -4.980 -8.653 -9.023 1.00 0.00 C ATOM 852 NE ARG A 114 -5.776 -8.695 -10.282 1.00 0.00 N ATOM 853 CZ ARG A 114 -6.456 -9.767 -10.610 1.00 0.00 C ATOM 854 NH1 ARG A 114 -6.459 -10.817 -9.830 1.00 0.00 N ATOM 855 NH2 ARG A 114 -7.135 -9.784 -11.722 1.00 0.00 N ATOM 0 H ARG A 114 -7.660 -4.724 -7.893 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.167 -7.290 -6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -6.980 -6.795 -8.950 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.615 -6.170 -8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.342 -8.389 -6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.719 -9.016 -7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.185 -7.913 -9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.501 -9.617 -8.852 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.792 -7.880 -10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -5.929 -10.806 -8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -6.991 -11.646 -10.093 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -7.136 -8.966 -12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -7.666 -10.615 -11.983 1.00 0.00 H new ATOM 869 N PHE A 115 -5.790 -5.555 -5.293 1.00 0.00 N ATOM 870 CA PHE A 115 -4.970 -5.501 -4.048 1.00 0.00 C ATOM 871 C PHE A 115 -5.889 -5.495 -2.825 1.00 0.00 C ATOM 872 O PHE A 115 -5.642 -6.175 -1.848 1.00 0.00 O ATOM 873 CB PHE A 115 -4.121 -4.228 -4.053 1.00 0.00 C ATOM 874 CG PHE A 115 -3.400 -4.098 -2.729 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.417 -5.029 -2.378 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.718 -3.051 -1.852 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.751 -4.915 -1.151 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.051 -2.938 -0.628 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.068 -3.870 -0.276 1.00 0.00 C ATOM 0 H PHE A 115 -5.691 -4.748 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.319 -6.375 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.400 -4.262 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.754 -3.357 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.172 -5.836 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.478 -2.332 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.992 -5.634 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.295 -2.131 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.555 -3.783 0.670 1.00 0.00 H new ATOM 889 N VAL A 116 -6.936 -4.716 -2.872 1.00 0.00 N ATOM 890 CA VAL A 116 -7.876 -4.632 -1.715 1.00 0.00 C ATOM 891 C VAL A 116 -8.490 -6.011 -1.444 1.00 0.00 C ATOM 892 O VAL A 116 -8.579 -6.453 -0.314 1.00 0.00 O ATOM 893 CB VAL A 116 -8.992 -3.635 -2.040 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.025 -3.634 -0.912 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.397 -2.232 -2.186 1.00 0.00 C ATOM 0 H VAL A 116 -7.183 -4.129 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.331 -4.300 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.475 -3.926 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -10.818 -2.924 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.451 -4.632 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.543 -3.346 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.191 -1.522 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -7.913 -1.943 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.663 -2.230 -2.992 1.00 0.00 H new ATOM 905 N ASP A 117 -8.915 -6.686 -2.476 1.00 0.00 N ATOM 906 CA ASP A 117 -9.526 -8.038 -2.301 1.00 0.00 C ATOM 907 C ASP A 117 -8.463 -9.023 -1.805 1.00 0.00 C ATOM 908 O ASP A 117 -8.734 -9.911 -1.020 1.00 0.00 O ATOM 909 CB ASP A 117 -10.075 -8.525 -3.646 1.00 0.00 C ATOM 910 CG ASP A 117 -10.736 -9.897 -3.474 1.00 0.00 C ATOM 911 OD1 ASP A 117 -10.640 -10.450 -2.391 1.00 0.00 O ATOM 912 OD2 ASP A 117 -11.326 -10.369 -4.432 1.00 0.00 O ATOM 0 H ASP A 117 -8.866 -6.358 -3.441 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.334 -7.977 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.799 -7.809 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.268 -8.589 -4.376 1.00 0.00 H new ATOM 917 N ASP A 118 -7.256 -8.876 -2.281 1.00 0.00 N ATOM 918 CA ASP A 118 -6.160 -9.803 -1.871 1.00 0.00 C ATOM 919 C ASP A 118 -5.919 -9.708 -0.362 1.00 0.00 C ATOM 920 O ASP A 118 -5.848 -10.707 0.330 1.00 0.00 O ATOM 921 CB ASP A 118 -4.874 -9.414 -2.605 1.00 0.00 C ATOM 922 CG ASP A 118 -3.746 -10.365 -2.200 1.00 0.00 C ATOM 923 OD1 ASP A 118 -3.972 -11.181 -1.321 1.00 0.00 O ATOM 924 OD2 ASP A 118 -2.676 -10.262 -2.777 1.00 0.00 O ATOM 0 H ASP A 118 -6.980 -8.149 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.447 -10.824 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.031 -9.457 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.602 -8.387 -2.364 1.00 0.00 H new ATOM 929 N ILE A 119 -5.783 -8.515 0.150 1.00 0.00 N ATOM 930 CA ILE A 119 -5.534 -8.348 1.612 1.00 0.00 C ATOM 931 C ILE A 119 -6.787 -8.736 2.403 1.00 0.00 C ATOM 932 O ILE A 119 -6.707 -9.225 3.513 1.00 0.00 O ATOM 933 CB ILE A 119 -5.163 -6.888 1.909 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.279 -5.950 1.425 1.00 0.00 C ATOM 935 CG2 ILE A 119 -3.858 -6.539 1.189 1.00 0.00 C ATOM 936 CD1 ILE A 119 -5.972 -4.512 1.858 1.00 0.00 C ATOM 0 H ILE A 119 -5.834 -7.646 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 119 -4.711 -8.997 1.911 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.036 -6.765 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.365 -6.002 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.237 -6.267 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.593 -5.503 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.062 -7.195 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -3.989 -6.670 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.766 -3.850 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.908 -4.465 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.023 -4.196 1.425 1.00 0.00 H new ATOM 948 N SER A 120 -7.943 -8.517 1.837 1.00 0.00 N ATOM 949 CA SER A 120 -9.205 -8.867 2.549 1.00 0.00 C ATOM 950 C SER A 120 -9.271 -10.382 2.738 1.00 0.00 C ATOM 951 O SER A 120 -9.793 -10.880 3.717 1.00 0.00 O ATOM 952 CB SER A 120 -10.407 -8.403 1.722 1.00 0.00 C ATOM 953 OG SER A 120 -10.417 -9.091 0.476 1.00 0.00 O ATOM 0 H SER A 120 -8.068 -8.110 0.910 1.00 0.00 H new ATOM 0 HA SER A 120 -9.225 -8.374 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.332 -8.597 2.264 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.354 -7.327 1.556 1.00 0.00 H new ATOM 0 HG SER A 120 -9.500 -9.334 0.229 1.00 0.00 H new ATOM 959 N ALA A 121 -8.735 -11.115 1.800 1.00 0.00 N ATOM 960 CA ALA A 121 -8.749 -12.602 1.902 1.00 0.00 C ATOM 961 C ALA A 121 -7.591 -13.054 2.791 1.00 0.00 C ATOM 962 O ALA A 121 -7.488 -14.209 3.157 1.00 0.00 O ATOM 963 CB ALA A 121 -8.583 -13.203 0.505 1.00 0.00 C ATOM 0 H ALA A 121 -8.285 -10.745 0.963 1.00 0.00 H new ATOM 0 HA ALA A 121 -9.693 -12.935 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -8.592 -14.291 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.403 -12.872 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -7.635 -12.875 0.078 1.00 0.00 H new ATOM 969 N GLN A 122 -6.719 -12.143 3.140 1.00 0.00 N ATOM 970 CA GLN A 122 -5.551 -12.483 4.011 1.00 0.00 C ATOM 971 C GLN A 122 -5.705 -11.771 5.354 1.00 0.00 C ATOM 972 O GLN A 122 -5.080 -12.131 6.334 1.00 0.00 O ATOM 973 CB GLN A 122 -4.263 -12.014 3.330 1.00 0.00 C ATOM 974 CG GLN A 122 -4.074 -12.766 2.009 1.00 0.00 C ATOM 975 CD GLN A 122 -3.839 -14.253 2.287 1.00 0.00 C ATOM 976 OE1 GLN A 122 -4.770 -15.001 2.499 1.00 0.00 O ATOM 977 NE2 GLN A 122 -2.618 -14.715 2.293 1.00 0.00 N ATOM 0 H GLN A 122 -6.767 -11.165 2.855 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.508 -13.560 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.308 -10.941 3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.409 -12.189 3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.954 -12.639 1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -3.228 -12.351 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -1.834 -14.087 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.448 -15.704 2.476 1.00 0.00 H new ATOM 986 N TYR A 123 -6.529 -10.752 5.405 1.00 0.00 N ATOM 987 CA TYR A 123 -6.729 -9.993 6.681 1.00 0.00 C ATOM 988 C TYR A 123 -8.217 -9.717 6.908 1.00 0.00 C ATOM 989 O TYR A 123 -9.035 -9.853 6.019 1.00 0.00 O ATOM 990 CB TYR A 123 -5.976 -8.666 6.616 1.00 0.00 C ATOM 991 CG TYR A 123 -4.494 -8.930 6.524 1.00 0.00 C ATOM 992 CD1 TYR A 123 -3.738 -9.076 7.693 1.00 0.00 C ATOM 993 CD2 TYR A 123 -3.875 -9.027 5.272 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.362 -9.319 7.611 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.499 -9.270 5.190 1.00 0.00 C ATOM 996 CZ TYR A 123 -1.742 -9.416 6.360 1.00 0.00 C ATOM 997 OH TYR A 123 -0.386 -9.656 6.278 1.00 0.00 O ATOM 0 H TYR A 123 -7.075 -10.411 4.613 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.346 -10.593 7.506 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.307 -8.090 5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.195 -8.068 7.501 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.216 -9.001 8.658 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.459 -8.914 4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -1.779 -9.432 8.513 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.021 -9.345 4.225 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.117 -9.695 5.336 1.00 0.00 H new ATOM 1007 N SER A 124 -8.561 -9.339 8.110 1.00 0.00 N ATOM 1008 CA SER A 124 -9.986 -9.059 8.450 1.00 0.00 C ATOM 1009 C SER A 124 -10.454 -7.754 7.802 1.00 0.00 C ATOM 1010 O SER A 124 -9.671 -6.961 7.316 1.00 0.00 O ATOM 1011 CB SER A 124 -10.126 -8.949 9.970 1.00 0.00 C ATOM 1012 OG SER A 124 -9.765 -7.638 10.386 1.00 0.00 O ATOM 0 H SER A 124 -7.906 -9.211 8.881 1.00 0.00 H new ATOM 0 HA SER A 124 -10.603 -9.874 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.152 -9.167 10.268 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.488 -9.686 10.459 1.00 0.00 H new ATOM 0 HG SER A 124 -8.793 -7.588 10.503 1.00 0.00 H new ATOM 1018 N LYS A 125 -11.741 -7.542 7.798 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.313 -6.307 7.190 1.00 0.00 C ATOM 1020 C LYS A 125 -11.824 -5.077 7.953 1.00 0.00 C ATOM 1021 O LYS A 125 -11.611 -4.021 7.386 1.00 0.00 O ATOM 1022 CB LYS A 125 -13.840 -6.374 7.268 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.442 -5.202 6.487 1.00 0.00 C ATOM 1024 CD LYS A 125 -15.981 -5.346 6.410 1.00 0.00 C ATOM 1025 CE LYS A 125 -16.378 -5.999 5.081 1.00 0.00 C ATOM 1026 NZ LYS A 125 -15.719 -7.332 4.970 1.00 0.00 N ATOM 0 H LYS A 125 -12.430 -8.181 8.195 1.00 0.00 H new ATOM 0 HA LYS A 125 -11.994 -6.234 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.195 -7.319 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.164 -6.337 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.181 -4.261 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -14.022 -5.171 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.341 -5.949 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.452 -4.367 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -17.461 -6.110 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.081 -5.363 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -16.090 -7.834 4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -14.692 -7.204 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -15.915 -7.889 5.826 1.00 0.00 H new ATOM 1040 N ASN A 126 -11.650 -5.209 9.239 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.178 -4.058 10.066 1.00 0.00 C ATOM 1042 C ASN A 126 -9.793 -3.618 9.585 1.00 0.00 C ATOM 1043 O ASN A 126 -9.499 -2.443 9.480 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.091 -4.502 11.529 1.00 0.00 C ATOM 1045 CG ASN A 126 -10.523 -3.368 12.385 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -9.370 -3.401 12.770 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -11.289 -2.361 12.703 1.00 0.00 N ATOM 0 H ASN A 126 -11.815 -6.071 9.758 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.874 -3.225 9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -12.080 -4.783 11.892 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.457 -5.385 11.613 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -10.921 -1.601 13.275 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -12.256 -2.334 12.380 1.00 0.00 H new ATOM 1054 N TYR A 127 -8.945 -4.563 9.292 1.00 0.00 N ATOM 1055 CA TYR A 127 -7.571 -4.236 8.807 1.00 0.00 C ATOM 1056 C TYR A 127 -7.649 -3.674 7.384 1.00 0.00 C ATOM 1057 O TYR A 127 -6.880 -2.815 6.998 1.00 0.00 O ATOM 1058 CB TYR A 127 -6.727 -5.514 8.804 1.00 0.00 C ATOM 1059 CG TYR A 127 -6.218 -5.793 10.202 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -7.124 -6.040 11.239 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -4.840 -5.804 10.460 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -6.655 -6.294 12.533 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -4.372 -6.059 11.752 1.00 0.00 C ATOM 1064 CZ TYR A 127 -5.279 -6.303 12.790 1.00 0.00 C ATOM 1065 OH TYR A 127 -4.816 -6.552 14.065 1.00 0.00 O ATOM 0 H TYR A 127 -9.146 -5.560 9.368 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.117 -3.493 9.463 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.324 -6.354 8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.888 -5.406 8.116 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -8.186 -6.035 11.041 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.140 -5.615 9.660 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -7.355 -6.483 13.333 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -3.310 -6.068 11.950 1.00 0.00 H new ATOM 0 HH TYR A 127 -3.836 -6.522 14.069 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.571 -4.167 6.605 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.708 -3.687 5.201 1.00 0.00 C ATOM 1077 C VAL A 128 -8.984 -2.182 5.203 1.00 0.00 C ATOM 1078 O VAL A 128 -8.420 -1.432 4.429 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.882 -4.417 4.529 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -10.187 -3.768 3.173 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.524 -5.894 4.317 1.00 0.00 C ATOM 0 H VAL A 128 -9.239 -4.886 6.882 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.787 -3.889 4.654 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.759 -4.346 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.020 -4.288 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.451 -2.721 3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.307 -3.833 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.360 -6.406 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.643 -5.967 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.315 -6.360 5.280 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.861 -1.744 6.062 1.00 0.00 N ATOM 1092 CA ASP A 129 -10.204 -0.293 6.121 1.00 0.00 C ATOM 1093 C ASP A 129 -8.951 0.541 6.411 1.00 0.00 C ATOM 1094 O ASP A 129 -8.675 1.518 5.742 1.00 0.00 O ATOM 1095 CB ASP A 129 -11.222 -0.073 7.244 1.00 0.00 C ATOM 1096 CG ASP A 129 -11.586 1.411 7.330 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -10.973 2.192 6.623 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -12.470 1.739 8.104 1.00 0.00 O ATOM 0 H ASP A 129 -10.359 -2.332 6.731 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.620 0.016 5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -12.117 -0.666 7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.808 -0.411 8.194 1.00 0.00 H new ATOM 1103 N SER A 130 -8.197 0.168 7.411 1.00 0.00 N ATOM 1104 CA SER A 130 -6.964 0.938 7.755 1.00 0.00 C ATOM 1105 C SER A 130 -5.939 0.828 6.620 1.00 0.00 C ATOM 1106 O SER A 130 -5.282 1.787 6.263 1.00 0.00 O ATOM 1107 CB SER A 130 -6.358 0.382 9.042 1.00 0.00 C ATOM 1108 OG SER A 130 -7.328 0.432 10.080 1.00 0.00 O ATOM 0 H SER A 130 -8.382 -0.639 8.007 1.00 0.00 H new ATOM 0 HA SER A 130 -7.228 1.986 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.027 -0.645 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 130 -5.478 0.961 9.323 1.00 0.00 H new ATOM 0 HG SER A 130 -6.942 0.074 10.906 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.799 -0.343 6.057 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.818 -0.536 4.945 1.00 0.00 C ATOM 1116 C ILE A 131 -5.240 0.303 3.737 1.00 0.00 C ATOM 1117 O ILE A 131 -4.428 0.927 3.080 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.773 -2.017 4.546 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -4.145 -2.836 5.679 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.934 -2.181 3.274 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.419 -4.325 5.449 1.00 0.00 C ATOM 0 H ILE A 131 -6.323 -1.178 6.319 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.830 -0.221 5.280 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.787 -2.371 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -3.071 -2.656 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.557 -2.524 6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.903 -3.233 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.381 -1.602 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.920 -1.825 3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.972 -4.906 6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.495 -4.498 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.986 -4.632 4.497 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.509 0.307 3.436 1.00 0.00 N ATOM 1134 CA VAL A 132 -7.010 1.087 2.268 1.00 0.00 C ATOM 1135 C VAL A 132 -6.700 2.572 2.470 1.00 0.00 C ATOM 1136 O VAL A 132 -6.250 3.254 1.568 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.530 0.885 2.149 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -9.122 1.912 1.175 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.819 -0.531 1.633 1.00 0.00 C ATOM 0 H VAL A 132 -7.227 -0.201 3.953 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.521 0.743 1.357 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.985 1.019 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -10.199 1.761 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.922 2.919 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.666 1.787 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.896 -0.675 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.357 -0.663 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.409 -1.263 2.329 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.946 3.077 3.646 1.00 0.00 N ATOM 1150 CA ALA A 133 -6.678 4.520 3.918 1.00 0.00 C ATOM 1151 C ALA A 133 -5.182 4.803 3.745 1.00 0.00 C ATOM 1152 O ALA A 133 -4.787 5.793 3.157 1.00 0.00 O ATOM 1153 CB ALA A 133 -7.091 4.845 5.355 1.00 0.00 C ATOM 0 H ALA A 133 -7.323 2.552 4.435 1.00 0.00 H new ATOM 0 HA ALA A 133 -7.247 5.136 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -6.898 5.898 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -8.154 4.640 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -6.516 4.229 6.047 1.00 0.00 H new ATOM 1159 N SER A 134 -4.349 3.933 4.251 1.00 0.00 N ATOM 1160 CA SER A 134 -2.875 4.129 4.123 1.00 0.00 C ATOM 1161 C SER A 134 -2.467 4.024 2.653 1.00 0.00 C ATOM 1162 O SER A 134 -1.564 4.697 2.194 1.00 0.00 O ATOM 1163 CB SER A 134 -2.150 3.051 4.930 1.00 0.00 C ATOM 1164 OG SER A 134 -2.701 1.777 4.622 1.00 0.00 O ATOM 0 H SER A 134 -4.628 3.089 4.751 1.00 0.00 H new ATOM 0 HA SER A 134 -2.606 5.115 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.085 3.064 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.248 3.253 5.997 1.00 0.00 H new ATOM 0 HG SER A 134 -3.242 1.843 3.808 1.00 0.00 H new ATOM 1170 N THR A 135 -3.130 3.176 1.916 1.00 0.00 N ATOM 1171 CA THR A 135 -2.802 3.004 0.470 1.00 0.00 C ATOM 1172 C THR A 135 -3.050 4.314 -0.280 1.00 0.00 C ATOM 1173 O THR A 135 -2.257 4.739 -1.100 1.00 0.00 O ATOM 1174 CB THR A 135 -3.690 1.906 -0.119 1.00 0.00 C ATOM 1175 OG1 THR A 135 -3.647 0.760 0.719 1.00 0.00 O ATOM 1176 CG2 THR A 135 -3.195 1.544 -1.519 1.00 0.00 C ATOM 0 H THR A 135 -3.892 2.589 2.256 1.00 0.00 H new ATOM 0 HA THR A 135 -1.753 2.727 0.368 1.00 0.00 H new ATOM 0 HB THR A 135 -4.717 2.264 -0.184 1.00 0.00 H new ATOM 0 HG1 THR A 135 -4.303 0.858 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 135 -3.828 0.762 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 135 -3.236 2.426 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 135 -2.167 1.186 -1.460 1.00 0.00 H new ATOM 1184 N ASN A 136 -4.156 4.950 -0.006 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.487 6.234 -0.691 1.00 0.00 C ATOM 1186 C ASN A 136 -3.451 7.301 -0.331 1.00 0.00 C ATOM 1187 O ASN A 136 -3.047 8.099 -1.158 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.872 6.704 -0.241 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.943 5.794 -0.845 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -6.694 5.102 -1.811 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -8.137 5.770 -0.315 1.00 0.00 N ATOM 0 H ASN A 136 -4.851 4.633 0.669 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.480 6.077 -1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.937 6.687 0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -6.037 7.735 -0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -8.860 5.170 -0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -8.347 6.351 0.497 1.00 0.00 H new ATOM 1198 N MET A 137 -3.027 7.326 0.902 1.00 0.00 N ATOM 1199 CA MET A 137 -2.028 8.345 1.338 1.00 0.00 C ATOM 1200 C MET A 137 -0.713 8.139 0.582 1.00 0.00 C ATOM 1201 O MET A 137 -0.057 9.083 0.184 1.00 0.00 O ATOM 1202 CB MET A 137 -1.770 8.190 2.840 1.00 0.00 C ATOM 1203 CG MET A 137 -2.959 8.746 3.624 1.00 0.00 C ATOM 1204 SD MET A 137 -2.689 8.492 5.399 1.00 0.00 S ATOM 1205 CE MET A 137 -1.351 9.694 5.616 1.00 0.00 C ATOM 0 H MET A 137 -3.331 6.681 1.631 1.00 0.00 H new ATOM 0 HA MET A 137 -2.416 9.341 1.127 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.618 7.139 3.087 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.858 8.718 3.119 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.082 9.808 3.413 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.878 8.250 3.311 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.316 10.016 6.657 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.401 9.233 5.347 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.530 10.557 4.975 1.00 0.00 H new ATOM 1215 N ILE A 138 -0.324 6.909 0.386 1.00 0.00 N ATOM 1216 CA ILE A 138 0.952 6.632 -0.337 1.00 0.00 C ATOM 1217 C ILE A 138 0.842 7.141 -1.779 1.00 0.00 C ATOM 1218 O ILE A 138 1.745 7.765 -2.303 1.00 0.00 O ATOM 1219 CB ILE A 138 1.204 5.117 -0.344 1.00 0.00 C ATOM 1220 CG1 ILE A 138 1.497 4.647 1.084 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.402 4.797 -1.242 1.00 0.00 C ATOM 1222 CD1 ILE A 138 1.483 3.117 1.144 1.00 0.00 C ATOM 0 H ILE A 138 -0.835 6.082 0.695 1.00 0.00 H new ATOM 0 HA ILE A 138 1.778 7.140 0.162 1.00 0.00 H new ATOM 0 HB ILE A 138 0.321 4.604 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.467 5.023 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 138 0.753 5.053 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.578 3.721 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.195 5.133 -2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.287 5.308 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.692 2.791 2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.503 2.750 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.244 2.720 0.472 1.00 0.00 H new ATOM 1234 N PHE A 139 -0.264 6.876 -2.417 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.460 7.334 -3.825 1.00 0.00 C ATOM 1236 C PHE A 139 -0.578 8.861 -3.857 1.00 0.00 C ATOM 1237 O PHE A 139 -0.045 9.519 -4.729 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.745 6.705 -4.385 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.472 5.283 -4.833 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.949 4.349 -3.927 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -1.731 4.900 -6.157 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.690 3.039 -4.343 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -1.469 3.590 -6.571 1.00 0.00 C ATOM 1244 CZ PHE A 139 -0.948 2.660 -5.664 1.00 0.00 C ATOM 0 H PHE A 139 -1.048 6.357 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 139 0.392 7.028 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.525 6.712 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -2.113 7.295 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -0.746 4.641 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.133 5.617 -6.857 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -0.290 2.320 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.669 3.296 -7.591 1.00 0.00 H new ATOM 0 HZ PHE A 139 -0.745 1.649 -5.985 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.279 9.421 -2.910 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.445 10.904 -2.869 1.00 0.00 C ATOM 1256 C LYS A 140 -0.088 11.561 -2.611 1.00 0.00 C ATOM 1257 O LYS A 140 0.232 12.595 -3.166 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.422 11.275 -1.748 1.00 0.00 C ATOM 1259 CG LYS A 140 -2.695 12.785 -1.771 1.00 0.00 C ATOM 1260 CD LYS A 140 -3.611 13.169 -0.599 1.00 0.00 C ATOM 1261 CE LYS A 140 -5.061 12.774 -0.902 1.00 0.00 C ATOM 1262 NZ LYS A 140 -5.966 13.388 0.108 1.00 0.00 N ATOM 0 H LYS A 140 -1.747 8.914 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.839 11.256 -3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -3.356 10.726 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.007 10.986 -0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.756 13.334 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.162 13.065 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -3.275 12.673 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.550 14.242 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -5.338 13.106 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -5.164 11.689 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -6.949 13.120 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.707 13.051 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -5.875 14.423 0.072 1.00 0.00 H new ATOM 1276 N TYR A 141 0.713 10.963 -1.770 1.00 0.00 N ATOM 1277 CA TYR A 141 2.054 11.542 -1.467 1.00 0.00 C ATOM 1278 C TYR A 141 2.866 11.631 -2.760 1.00 0.00 C ATOM 1279 O TYR A 141 3.482 12.637 -3.054 1.00 0.00 O ATOM 1280 CB TYR A 141 2.788 10.635 -0.475 1.00 0.00 C ATOM 1281 CG TYR A 141 4.181 11.168 -0.241 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.394 12.176 0.707 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.260 10.658 -0.974 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.684 12.674 0.922 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.550 11.155 -0.758 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.762 12.163 0.190 1.00 0.00 C ATOM 1287 OH TYR A 141 8.034 12.655 0.401 1.00 0.00 O ATOM 0 H TYR A 141 0.496 10.096 -1.279 1.00 0.00 H new ATOM 0 HA TYR A 141 1.934 12.536 -1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.241 10.591 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.837 9.618 -0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.562 12.569 1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.096 9.881 -1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.848 13.452 1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.382 10.761 -1.323 1.00 0.00 H new ATOM 0 HH TYR A 141 8.666 12.191 -0.187 1.00 0.00 H new ATOM 1297 N ALA A 142 2.864 10.580 -3.534 1.00 0.00 N ATOM 1298 CA ALA A 142 3.626 10.587 -4.816 1.00 0.00 C ATOM 1299 C ALA A 142 3.030 11.644 -5.747 1.00 0.00 C ATOM 1300 O ALA A 142 3.735 12.362 -6.434 1.00 0.00 O ATOM 1301 CB ALA A 142 3.513 9.210 -5.476 1.00 0.00 C ATOM 0 H ALA A 142 2.365 9.713 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 142 4.674 10.816 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.068 9.209 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 142 3.925 8.452 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.465 8.987 -5.675 1.00 0.00 H new ATOM 1307 N TYR A 143 1.727 11.742 -5.764 1.00 0.00 N ATOM 1308 CA TYR A 143 1.050 12.748 -6.634 1.00 0.00 C ATOM 1309 C TYR A 143 1.444 14.156 -6.180 1.00 0.00 C ATOM 1310 O TYR A 143 1.739 15.024 -6.979 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.467 12.580 -6.510 1.00 0.00 C ATOM 1312 CG TYR A 143 -1.161 13.621 -7.354 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -1.220 13.461 -8.743 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.748 14.743 -6.754 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.862 14.422 -9.534 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -2.391 15.704 -7.545 1.00 0.00 C ATOM 1317 CZ TYR A 143 -2.448 15.543 -8.935 1.00 0.00 C ATOM 1318 OH TYR A 143 -3.081 16.489 -9.714 1.00 0.00 O ATOM 0 H TYR A 143 1.098 11.163 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 143 1.352 12.601 -7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.760 11.581 -6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.770 12.680 -5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.770 12.595 -9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.705 14.867 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -1.905 14.298 -10.606 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.843 16.569 -7.083 1.00 0.00 H new ATOM 0 HH TYR A 143 -3.434 17.201 -9.141 1.00 0.00 H new ATOM 1328 N ASP A 144 1.444 14.380 -4.892 1.00 0.00 N ATOM 1329 CA ASP A 144 1.809 15.723 -4.353 1.00 0.00 C ATOM 1330 C ASP A 144 3.257 16.048 -4.723 1.00 0.00 C ATOM 1331 O ASP A 144 3.584 17.162 -5.086 1.00 0.00 O ATOM 1332 CB ASP A 144 1.669 15.706 -2.828 1.00 0.00 C ATOM 1333 CG ASP A 144 2.078 17.065 -2.258 1.00 0.00 C ATOM 1334 OD1 ASP A 144 1.410 18.038 -2.566 1.00 0.00 O ATOM 1335 OD2 ASP A 144 3.049 17.108 -1.521 1.00 0.00 O ATOM 0 H ASP A 144 1.205 13.684 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 144 1.148 16.479 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.640 15.479 -2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.294 14.920 -2.404 1.00 0.00 H new ATOM 1340 N THR A 145 4.127 15.081 -4.632 1.00 0.00 N ATOM 1341 CA THR A 145 5.557 15.321 -4.972 1.00 0.00 C ATOM 1342 C THR A 145 5.710 15.391 -6.488 1.00 0.00 C ATOM 1343 O THR A 145 6.785 15.195 -7.022 1.00 0.00 O ATOM 1344 CB THR A 145 6.415 14.179 -4.411 1.00 0.00 C ATOM 1345 OG1 THR A 145 5.919 13.804 -3.134 1.00 0.00 O ATOM 1346 CG2 THR A 145 7.874 14.634 -4.283 1.00 0.00 C ATOM 0 H THR A 145 3.908 14.130 -4.335 1.00 0.00 H new ATOM 0 HA THR A 145 5.887 16.263 -4.534 1.00 0.00 H new ATOM 0 HB THR A 145 6.368 13.326 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.114 13.257 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.476 13.818 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.254 14.919 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 145 7.931 15.489 -3.610 1.00 0.00 H new ATOM 1354 N ARG A 146 4.634 15.688 -7.179 1.00 0.00 N ATOM 1355 CA ARG A 146 4.671 15.792 -8.673 1.00 0.00 C ATOM 1356 C ARG A 146 5.585 14.711 -9.259 1.00 0.00 C ATOM 1357 O ARG A 146 6.086 14.824 -10.362 1.00 0.00 O ATOM 1358 CB ARG A 146 5.157 17.187 -9.090 1.00 0.00 C ATOM 1359 CG ARG A 146 6.560 17.462 -8.535 1.00 0.00 C ATOM 1360 CD ARG A 146 7.089 18.769 -9.109 1.00 0.00 C ATOM 1361 NE ARG A 146 8.439 19.048 -8.540 1.00 0.00 N ATOM 1362 CZ ARG A 146 9.518 18.569 -9.107 1.00 0.00 C ATOM 1363 NH1 ARG A 146 9.430 17.822 -10.177 1.00 0.00 N ATOM 1364 NH2 ARG A 146 10.688 18.835 -8.597 1.00 0.00 N ATOM 0 H ARG A 146 3.719 15.865 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 146 3.664 15.640 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.170 17.263 -10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.462 17.943 -8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 146 6.527 17.518 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 146 7.231 16.642 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 146 7.146 18.705 -10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.407 19.586 -8.873 1.00 0.00 H new ATOM 0 HE ARG A 146 8.523 19.619 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 146 8.516 17.608 -10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 146 10.275 17.453 -10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 146 10.760 19.414 -7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 146 11.531 18.464 -9.035 1.00 0.00 H new ATOM 1378 N LEU A 147 5.792 13.660 -8.516 1.00 0.00 N ATOM 1379 CA LEU A 147 6.648 12.546 -8.997 1.00 0.00 C ATOM 1380 C LEU A 147 5.964 11.864 -10.172 1.00 0.00 C ATOM 1381 O LEU A 147 6.600 11.453 -11.123 1.00 0.00 O ATOM 1382 CB LEU A 147 6.865 11.539 -7.857 1.00 0.00 C ATOM 1383 CG LEU A 147 8.036 11.995 -6.967 1.00 0.00 C ATOM 1384 CD1 LEU A 147 8.044 11.182 -5.664 1.00 0.00 C ATOM 1385 CD2 LEU A 147 9.377 11.791 -7.711 1.00 0.00 C ATOM 0 H LEU A 147 5.398 13.526 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 147 7.615 12.933 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.957 11.451 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 147 7.073 10.551 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 147 7.913 13.053 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.874 11.508 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.105 11.337 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 147 8.159 10.123 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 147 10.200 12.116 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 147 9.501 10.736 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 147 9.376 12.377 -8.630 1.00 0.00 H new ATOM 1397 N ILE A 148 4.667 11.732 -10.097 1.00 0.00 N ATOM 1398 CA ILE A 148 3.898 11.067 -11.192 1.00 0.00 C ATOM 1399 C ILE A 148 2.789 11.992 -11.681 1.00 0.00 C ATOM 1400 O ILE A 148 2.298 12.839 -10.959 1.00 0.00 O ATOM 1401 CB ILE A 148 3.296 9.760 -10.669 1.00 0.00 C ATOM 1402 CG1 ILE A 148 2.401 10.039 -9.453 1.00 0.00 C ATOM 1403 CG2 ILE A 148 4.421 8.804 -10.269 1.00 0.00 C ATOM 1404 CD1 ILE A 148 1.723 8.739 -9.007 1.00 0.00 C ATOM 0 H ILE A 148 4.100 12.060 -9.315 1.00 0.00 H new ATOM 0 HA ILE A 148 4.567 10.848 -12.024 1.00 0.00 H new ATOM 0 HB ILE A 148 2.693 9.307 -11.456 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.996 10.450 -8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.648 10.786 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.993 7.873 -9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 148 5.046 8.594 -11.137 1.00 0.00 H new ATOM 0 HG23 ILE A 148 5.027 9.262 -9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.088 8.938 -8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 148 1.115 8.347 -9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 148 2.483 8.006 -8.737 1.00 0.00 H new ATOM 1416 N LYS A 149 2.398 11.828 -12.913 1.00 0.00 N ATOM 1417 CA LYS A 149 1.320 12.680 -13.496 1.00 0.00 C ATOM 1418 C LYS A 149 -0.006 11.918 -13.447 1.00 0.00 C ATOM 1419 O LYS A 149 -1.008 12.363 -13.973 1.00 0.00 O ATOM 1420 CB LYS A 149 1.681 13.020 -14.951 1.00 0.00 C ATOM 1421 CG LYS A 149 2.415 11.842 -15.606 1.00 0.00 C ATOM 1422 CD LYS A 149 1.552 10.580 -15.524 1.00 0.00 C ATOM 1423 CE LYS A 149 2.079 9.530 -16.504 1.00 0.00 C ATOM 1424 NZ LYS A 149 1.864 10.001 -17.901 1.00 0.00 N ATOM 0 H LYS A 149 2.783 11.131 -13.551 1.00 0.00 H new ATOM 0 HA LYS A 149 1.221 13.603 -12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 149 0.776 13.251 -15.513 1.00 0.00 H new ATOM 0 HB3 LYS A 149 2.310 13.910 -14.979 1.00 0.00 H new ATOM 0 HG2 LYS A 149 2.637 12.074 -16.648 1.00 0.00 H new ATOM 0 HG3 LYS A 149 3.369 11.674 -15.107 1.00 0.00 H new ATOM 0 HD2 LYS A 149 1.566 10.183 -14.509 1.00 0.00 H new ATOM 0 HD3 LYS A 149 0.515 10.821 -15.757 1.00 0.00 H new ATOM 0 HE2 LYS A 149 3.140 9.353 -16.328 1.00 0.00 H new ATOM 0 HE3 LYS A 149 1.567 8.581 -16.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 1.761 9.181 -18.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 1.001 10.580 -17.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 2.679 10.571 -18.204 1.00 0.00 H new ATOM 1438 N ALA A 150 -0.015 10.769 -12.819 1.00 0.00 N ATOM 1439 CA ALA A 150 -1.271 9.958 -12.725 1.00 0.00 C ATOM 1440 C ALA A 150 -1.512 9.540 -11.275 1.00 0.00 C ATOM 1441 O ALA A 150 -0.595 9.414 -10.485 1.00 0.00 O ATOM 1442 CB ALA A 150 -1.142 8.707 -13.594 1.00 0.00 C ATOM 0 H ALA A 150 0.798 10.354 -12.364 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.109 10.561 -13.073 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -2.057 8.119 -13.524 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -0.978 9.000 -14.631 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -0.299 8.109 -13.248 1.00 0.00 H new ATOM 1448 N MET A 151 -2.752 9.323 -10.932 1.00 0.00 N ATOM 1449 CA MET A 151 -3.097 8.905 -9.545 1.00 0.00 C ATOM 1450 C MET A 151 -4.532 8.360 -9.522 1.00 0.00 C ATOM 1451 O MET A 151 -5.384 8.875 -8.823 1.00 0.00 O ATOM 1452 CB MET A 151 -2.996 10.112 -8.604 1.00 0.00 C ATOM 1453 CG MET A 151 -2.983 9.629 -7.150 1.00 0.00 C ATOM 1454 SD MET A 151 -3.419 11.001 -6.052 1.00 0.00 S ATOM 1455 CE MET A 151 -5.197 10.672 -5.960 1.00 0.00 C ATOM 0 H MET A 151 -3.549 9.419 -11.561 1.00 0.00 H new ATOM 0 HA MET A 151 -2.404 8.130 -9.216 1.00 0.00 H new ATOM 0 HB2 MET A 151 -2.090 10.678 -8.818 1.00 0.00 H new ATOM 0 HB3 MET A 151 -3.838 10.785 -8.767 1.00 0.00 H new ATOM 0 HG2 MET A 151 -3.689 8.809 -7.022 1.00 0.00 H new ATOM 0 HG3 MET A 151 -1.997 9.243 -6.893 1.00 0.00 H new ATOM 0 HE1 MET A 151 -5.672 11.416 -5.320 1.00 0.00 H new ATOM 0 HE2 MET A 151 -5.629 10.724 -6.959 1.00 0.00 H new ATOM 0 HE3 MET A 151 -5.362 9.678 -5.545 1.00 0.00 H new ATOM 1465 N PRO A 152 -4.797 7.323 -10.279 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.150 6.702 -10.340 1.00 0.00 C ATOM 1467 C PRO A 152 -6.446 5.851 -9.100 1.00 0.00 C ATOM 1468 O PRO A 152 -5.922 4.767 -8.927 1.00 0.00 O ATOM 1469 CB PRO A 152 -6.090 5.836 -11.606 1.00 0.00 C ATOM 1470 CG PRO A 152 -4.645 5.476 -11.762 1.00 0.00 C ATOM 1471 CD PRO A 152 -3.837 6.636 -11.160 1.00 0.00 C ATOM 0 HA PRO A 152 -6.947 7.445 -10.367 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -6.710 4.945 -11.504 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -6.457 6.382 -12.475 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -4.421 4.541 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -4.393 5.332 -12.813 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -2.973 6.273 -10.603 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.459 7.303 -11.935 1.00 0.00 H new