USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 64 HIS : no HD1:sc= -0.091 K(o=-0.091,f=-0.6) USER MOD Single : A 86 SER OG : rot -120:sc= -0.0487 USER MOD Single : A 89 SER OG : rot 160:sc= -0.654 USER MOD Single : A 101 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.7!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 121 LYS NZ :NH3+ -110:sc= -0.325 (180deg=-1.35!) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 123 GLN : amide:sc= -4.88 K(o=-4.9,f=-8.1!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 98:sc= -0.408 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -2.79 K(o=-2.8,f=-1.4) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -179:sc= -3.32 (180deg=-3.35) USER MOD Single : A 138 SER OG : rot -150:sc= -0.23 USER MOD Single : A 140 SER OG : rot 180:sc= -1.21 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 59.377 2.092 18.984 1.00 0.00 N ATOM 2 CA GLY A 54 60.528 1.688 18.185 1.00 0.00 C ATOM 3 C GLY A 54 60.098 1.300 16.774 1.00 0.00 C ATOM 4 O GLY A 54 59.113 1.820 16.250 1.00 0.00 O ATOM 0 HA2 GLY A 54 61.249 2.504 18.139 1.00 0.00 H new ATOM 0 HA3 GLY A 54 61.030 0.846 18.662 1.00 0.00 H new ATOM 8 N GLY A 55 60.840 0.379 16.167 1.00 0.00 N ATOM 9 CA GLY A 55 60.521 -0.075 14.820 1.00 0.00 C ATOM 10 C GLY A 55 60.862 0.986 13.787 1.00 0.00 C ATOM 11 O GLY A 55 60.273 1.020 12.705 1.00 0.00 O ATOM 0 H GLY A 55 61.659 -0.064 16.583 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.073 -0.989 14.602 1.00 0.00 H new ATOM 0 HA3 GLY A 55 59.461 -0.320 14.757 1.00 0.00 H new ATOM 15 N ALA A 56 61.804 1.853 14.127 1.00 0.00 N ATOM 16 CA ALA A 56 62.203 2.915 13.219 1.00 0.00 C ATOM 17 C ALA A 56 61.045 3.882 13.016 1.00 0.00 C ATOM 18 O ALA A 56 59.991 3.511 12.502 1.00 0.00 O ATOM 19 CB ALA A 56 62.631 2.330 11.869 1.00 0.00 C ATOM 0 H ALA A 56 62.302 1.842 15.017 1.00 0.00 H new ATOM 0 HA ALA A 56 63.048 3.449 13.654 1.00 0.00 H new ATOM 0 HB1 ALA A 56 62.927 3.138 11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.473 1.654 12.016 1.00 0.00 H new ATOM 0 HB3 ALA A 56 61.798 1.782 11.429 1.00 0.00 H new ATOM 25 N GLU A 57 61.257 5.124 13.420 1.00 0.00 N ATOM 26 CA GLU A 57 60.235 6.162 13.281 1.00 0.00 C ATOM 27 C GLU A 57 60.251 6.765 11.877 1.00 0.00 C ATOM 28 O GLU A 57 59.738 7.862 11.647 1.00 0.00 O ATOM 29 CB GLU A 57 60.464 7.265 14.306 1.00 0.00 C ATOM 30 CG GLU A 57 60.103 6.755 15.702 1.00 0.00 C ATOM 31 CD GLU A 57 60.501 7.791 16.748 1.00 0.00 C ATOM 32 OE1 GLU A 57 61.227 8.706 16.397 1.00 0.00 O ATOM 33 OE2 GLU A 57 60.074 7.654 17.883 1.00 0.00 O ATOM 0 H GLU A 57 62.126 5.443 13.848 1.00 0.00 H new ATOM 0 HA GLU A 57 59.263 5.699 13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.506 7.585 14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.857 8.136 14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 57 59.033 6.557 15.762 1.00 0.00 H new ATOM 0 HG3 GLU A 57 60.613 5.812 15.898 1.00 0.00 H new ATOM 40 N ALA A 58 60.834 6.035 10.939 1.00 0.00 N ATOM 41 CA ALA A 58 60.913 6.484 9.561 1.00 0.00 C ATOM 42 C ALA A 58 59.533 6.709 8.965 1.00 0.00 C ATOM 43 O ALA A 58 59.399 7.315 7.910 1.00 0.00 O ATOM 44 CB ALA A 58 61.712 5.489 8.725 1.00 0.00 C ATOM 0 H ALA A 58 61.261 5.125 11.110 1.00 0.00 H new ATOM 0 HA ALA A 58 61.430 7.443 9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.763 5.839 7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.721 5.402 9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.224 4.515 8.754 1.00 0.00 H new ATOM 50 N LEU A 59 58.516 6.232 9.656 1.00 0.00 N ATOM 51 CA LEU A 59 57.141 6.387 9.206 1.00 0.00 C ATOM 52 C LEU A 59 56.849 7.824 8.790 1.00 0.00 C ATOM 53 O LEU A 59 55.938 8.074 7.999 1.00 0.00 O ATOM 54 CB LEU A 59 56.216 6.015 10.347 1.00 0.00 C ATOM 55 CG LEU A 59 56.231 4.503 10.534 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.675 4.166 11.911 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.346 3.839 9.473 1.00 0.00 C ATOM 0 H LEU A 59 58.615 5.730 10.538 1.00 0.00 H new ATOM 0 HA LEU A 59 56.985 5.741 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.534 6.510 11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.203 6.357 10.135 1.00 0.00 H new ATOM 0 HG LEU A 59 57.254 4.140 10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.683 3.085 12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.291 4.636 12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.652 4.535 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.361 2.758 9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.324 4.204 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.724 4.083 8.480 1.00 0.00 H new ATOM 69 N GLU A 60 57.618 8.763 9.324 1.00 0.00 N ATOM 70 CA GLU A 60 57.415 10.163 8.991 1.00 0.00 C ATOM 71 C GLU A 60 57.576 10.380 7.496 1.00 0.00 C ATOM 72 O GLU A 60 56.811 11.119 6.875 1.00 0.00 O ATOM 73 CB GLU A 60 58.440 11.025 9.733 1.00 0.00 C ATOM 74 CG GLU A 60 58.124 11.026 11.228 1.00 0.00 C ATOM 75 CD GLU A 60 59.214 11.774 11.988 1.00 0.00 C ATOM 76 OE1 GLU A 60 60.226 12.084 11.382 1.00 0.00 O ATOM 77 OE2 GLU A 60 59.020 12.025 13.167 1.00 0.00 O ATOM 0 H GLU A 60 58.378 8.583 9.981 1.00 0.00 H new ATOM 0 HA GLU A 60 56.406 10.447 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.445 10.639 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.421 12.044 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.157 11.497 11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.051 10.002 11.594 1.00 0.00 H new ATOM 84 N LEU A 61 58.575 9.730 6.931 1.00 0.00 N ATOM 85 CA LEU A 61 58.841 9.853 5.501 1.00 0.00 C ATOM 86 C LEU A 61 58.376 8.617 4.726 1.00 0.00 C ATOM 87 O LEU A 61 57.826 8.737 3.635 1.00 0.00 O ATOM 88 CB LEU A 61 60.333 10.060 5.282 1.00 0.00 C ATOM 89 CG LEU A 61 60.820 11.239 6.122 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.308 11.449 5.889 1.00 0.00 C ATOM 91 CD2 LEU A 61 60.058 12.513 5.741 1.00 0.00 C ATOM 0 H LEU A 61 59.215 9.114 7.432 1.00 0.00 H new ATOM 0 HA LEU A 61 58.280 10.710 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.879 9.157 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.533 10.246 4.227 1.00 0.00 H new ATOM 0 HG LEU A 61 60.640 11.021 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.655 12.290 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.852 10.549 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.485 11.658 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.415 13.346 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 61 60.224 12.735 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.992 12.366 5.918 1.00 0.00 H new ATOM 103 N LEU A 62 58.602 7.436 5.302 1.00 0.00 N ATOM 104 CA LEU A 62 58.217 6.175 4.685 1.00 0.00 C ATOM 105 C LEU A 62 58.396 5.045 5.697 1.00 0.00 C ATOM 106 O LEU A 62 57.455 4.699 6.401 1.00 0.00 O ATOM 107 CB LEU A 62 59.057 5.926 3.425 1.00 0.00 C ATOM 108 CG LEU A 62 58.196 6.187 2.194 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.058 6.777 1.076 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.577 4.871 1.714 1.00 0.00 C ATOM 0 H LEU A 62 59.057 7.331 6.209 1.00 0.00 H new ATOM 0 HA LEU A 62 57.170 6.215 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.930 6.579 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.426 4.901 3.415 1.00 0.00 H new ATOM 0 HG LEU A 62 57.405 6.891 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.439 6.962 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.499 7.715 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.851 6.075 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.962 5.058 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.370 4.168 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.958 4.450 2.506 1.00 0.00 H new ATOM 122 N GLU A 63 59.616 4.507 5.763 1.00 0.00 N ATOM 123 CA GLU A 63 59.980 3.433 6.683 1.00 0.00 C ATOM 124 C GLU A 63 61.295 2.781 6.263 1.00 0.00 C ATOM 125 O GLU A 63 62.344 3.060 6.839 1.00 0.00 O ATOM 126 CB GLU A 63 58.890 2.377 6.737 1.00 0.00 C ATOM 127 CG GLU A 63 58.164 2.469 8.075 1.00 0.00 C ATOM 128 CD GLU A 63 57.718 1.078 8.522 1.00 0.00 C ATOM 129 OE1 GLU A 63 58.507 0.405 9.166 1.00 0.00 O ATOM 130 OE2 GLU A 63 56.599 0.707 8.212 1.00 0.00 O ATOM 0 H GLU A 63 60.388 4.811 5.170 1.00 0.00 H new ATOM 0 HA GLU A 63 60.100 3.873 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.186 2.523 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.323 1.384 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.821 2.908 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.299 3.126 7.985 1.00 0.00 H new ATOM 137 N HIS A 64 61.229 1.908 5.265 1.00 0.00 N ATOM 138 CA HIS A 64 62.416 1.221 4.783 1.00 0.00 C ATOM 139 C HIS A 64 62.854 1.782 3.443 1.00 0.00 C ATOM 140 O HIS A 64 62.094 2.466 2.756 1.00 0.00 O ATOM 141 CB HIS A 64 62.145 -0.279 4.650 1.00 0.00 C ATOM 142 CG HIS A 64 60.854 -0.498 3.930 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.668 -0.649 4.620 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.537 -0.607 2.600 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.699 -0.842 3.719 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.168 -0.825 2.468 1.00 0.00 N ATOM 0 H HIS A 64 60.368 1.661 4.777 1.00 0.00 H new ATOM 0 HA HIS A 64 63.216 1.378 5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.960 -0.759 4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.104 -0.739 5.637 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.239 -0.535 1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.660 -0.994 3.972 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.639 -0.945 1.604 1.00 0.00 H new ATOM 154 N CYS A 65 64.089 1.483 3.090 1.00 0.00 N ATOM 155 CA CYS A 65 64.660 1.949 1.840 1.00 0.00 C ATOM 156 C CYS A 65 64.141 1.139 0.662 1.00 0.00 C ATOM 157 O CYS A 65 64.073 -0.077 0.725 1.00 0.00 O ATOM 158 CB CYS A 65 66.169 1.844 1.912 1.00 0.00 C ATOM 159 SG CYS A 65 66.861 2.158 0.271 1.00 0.00 S ATOM 0 H CYS A 65 64.721 0.915 3.655 1.00 0.00 H new ATOM 0 HA CYS A 65 64.366 2.988 1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.562 2.563 2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.461 0.853 2.260 1.00 0.00 H new ATOM 164 N GLY A 66 63.773 1.834 -0.403 1.00 0.00 N ATOM 165 CA GLY A 66 63.251 1.183 -1.604 1.00 0.00 C ATOM 166 C GLY A 66 64.293 0.295 -2.294 1.00 0.00 C ATOM 167 O GLY A 66 63.959 -0.751 -2.852 1.00 0.00 O ATOM 0 H GLY A 66 63.825 2.851 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.384 0.579 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.906 1.944 -2.304 1.00 0.00 H new ATOM 171 N VAL A 67 65.539 0.749 -2.304 1.00 0.00 N ATOM 172 CA VAL A 67 66.620 0.034 -2.985 1.00 0.00 C ATOM 173 C VAL A 67 66.859 -1.378 -2.441 1.00 0.00 C ATOM 174 O VAL A 67 67.120 -2.302 -3.214 1.00 0.00 O ATOM 175 CB VAL A 67 67.903 0.849 -2.860 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.082 0.040 -3.395 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.761 2.146 -3.664 1.00 0.00 C ATOM 0 H VAL A 67 65.831 1.613 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 67 66.321 -0.083 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 67 68.080 1.088 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.997 0.626 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.182 -0.881 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.910 -0.204 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.677 2.731 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.582 1.907 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.923 2.725 -3.276 1.00 0.00 H new ATOM 187 N CYS A 68 66.793 -1.547 -1.127 1.00 0.00 N ATOM 188 CA CYS A 68 67.027 -2.858 -0.522 1.00 0.00 C ATOM 189 C CYS A 68 65.753 -3.401 0.109 1.00 0.00 C ATOM 190 O CYS A 68 65.631 -4.601 0.358 1.00 0.00 O ATOM 191 CB CYS A 68 68.122 -2.745 0.541 1.00 0.00 C ATOM 192 SG CYS A 68 67.737 -1.368 1.655 1.00 0.00 S ATOM 0 H CYS A 68 66.582 -0.803 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 68 67.344 -3.548 -1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.194 -3.675 1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.090 -2.584 0.067 1.00 0.00 H new ATOM 197 N ARG A 69 64.802 -2.510 0.339 1.00 0.00 N ATOM 198 CA ARG A 69 63.525 -2.888 0.919 1.00 0.00 C ATOM 199 C ARG A 69 63.723 -3.436 2.322 1.00 0.00 C ATOM 200 O ARG A 69 63.088 -4.410 2.724 1.00 0.00 O ATOM 201 CB ARG A 69 62.837 -3.922 0.028 1.00 0.00 C ATOM 202 CG ARG A 69 62.977 -3.497 -1.443 1.00 0.00 C ATOM 203 CD ARG A 69 63.985 -4.394 -2.167 1.00 0.00 C ATOM 204 NE ARG A 69 63.518 -4.680 -3.519 1.00 0.00 N ATOM 205 CZ ARG A 69 64.191 -5.483 -4.342 1.00 0.00 C ATOM 206 NH1 ARG A 69 65.307 -6.054 -3.964 1.00 0.00 N ATOM 207 NH2 ARG A 69 63.728 -5.703 -5.542 1.00 0.00 N ATOM 0 H ARG A 69 64.892 -1.515 0.131 1.00 0.00 H new ATOM 0 HA ARG A 69 62.889 -2.005 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.284 -4.904 0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.784 -4.007 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.008 -3.556 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.301 -2.458 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 69 64.958 -3.904 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.118 -5.324 -1.615 1.00 0.00 H new ATOM 0 HE ARG A 69 62.651 -4.253 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 69 65.674 -5.887 -3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 69 65.810 -6.666 -4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 69 62.859 -5.262 -5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 69 64.235 -6.316 -6.180 1.00 0.00 H new ATOM 221 N GLU A 70 64.605 -2.779 3.065 1.00 0.00 N ATOM 222 CA GLU A 70 64.889 -3.172 4.432 1.00 0.00 C ATOM 223 C GLU A 70 64.798 -1.971 5.350 1.00 0.00 C ATOM 224 O GLU A 70 65.082 -0.839 4.956 1.00 0.00 O ATOM 225 CB GLU A 70 66.272 -3.803 4.529 1.00 0.00 C ATOM 226 CG GLU A 70 66.323 -5.026 3.618 1.00 0.00 C ATOM 227 CD GLU A 70 65.338 -6.083 4.105 1.00 0.00 C ATOM 228 OE1 GLU A 70 64.977 -6.035 5.269 1.00 0.00 O ATOM 229 OE2 GLU A 70 64.958 -6.924 3.308 1.00 0.00 O ATOM 0 H GLU A 70 65.135 -1.971 2.740 1.00 0.00 H new ATOM 0 HA GLU A 70 64.149 -3.910 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.036 -3.083 4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.483 -4.091 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.082 -4.737 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.332 -5.437 3.604 1.00 0.00 H new ATOM 236 N ARG A 71 64.380 -2.234 6.570 1.00 0.00 N ATOM 237 CA ARG A 71 64.223 -1.190 7.559 1.00 0.00 C ATOM 238 C ARG A 71 65.506 -0.394 7.716 1.00 0.00 C ATOM 239 O ARG A 71 66.607 -0.933 7.607 1.00 0.00 O ATOM 240 CB ARG A 71 63.834 -1.822 8.887 1.00 0.00 C ATOM 241 CG ARG A 71 63.211 -0.767 9.802 1.00 0.00 C ATOM 242 CD ARG A 71 61.735 -0.583 9.443 1.00 0.00 C ATOM 243 NE ARG A 71 61.012 -1.838 9.624 1.00 0.00 N ATOM 244 CZ ARG A 71 60.624 -2.257 10.830 1.00 0.00 C ATOM 245 NH1 ARG A 71 60.888 -1.552 11.901 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.978 -3.383 10.947 1.00 0.00 N ATOM 0 H ARG A 71 64.142 -3.169 6.902 1.00 0.00 H new ATOM 0 HA ARG A 71 63.442 -0.504 7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.127 -2.634 8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.712 -2.257 9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.307 -1.072 10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.742 0.179 9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.295 0.192 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.644 -0.248 8.410 1.00 0.00 H new ATOM 0 HE ARG A 71 60.798 -2.410 8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 71 61.396 -0.671 11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 71 60.586 -1.883 12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.771 -3.941 10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 71 59.680 -3.707 11.867 1.00 0.00 H new ATOM 260 N LEU A 72 65.350 0.898 7.958 1.00 0.00 N ATOM 261 CA LEU A 72 66.494 1.775 8.112 1.00 0.00 C ATOM 262 C LEU A 72 67.139 1.564 9.472 1.00 0.00 C ATOM 263 O LEU A 72 66.637 2.042 10.486 1.00 0.00 O ATOM 264 CB LEU A 72 66.033 3.227 7.956 1.00 0.00 C ATOM 265 CG LEU A 72 65.417 3.410 6.565 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.768 4.794 6.460 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.517 3.276 5.502 1.00 0.00 C ATOM 0 H LEU A 72 64.445 1.359 8.051 1.00 0.00 H new ATOM 0 HA LEU A 72 67.236 1.547 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.303 3.475 8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.876 3.905 8.086 1.00 0.00 H new ATOM 0 HG LEU A 72 64.656 2.647 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.332 4.917 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.987 4.888 7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.523 5.563 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.083 3.406 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.278 4.039 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.972 2.288 5.572 1.00 0.00 H new ATOM 279 N ARG A 73 68.260 0.846 9.478 1.00 0.00 N ATOM 280 CA ARG A 73 68.978 0.584 10.720 1.00 0.00 C ATOM 281 C ARG A 73 69.784 1.824 11.088 1.00 0.00 C ATOM 282 O ARG A 73 69.957 2.714 10.258 1.00 0.00 O ATOM 283 CB ARG A 73 69.869 -0.644 10.563 1.00 0.00 C ATOM 284 CG ARG A 73 71.323 -0.229 10.445 1.00 0.00 C ATOM 285 CD ARG A 73 72.151 -1.450 10.082 1.00 0.00 C ATOM 286 NE ARG A 73 72.266 -2.359 11.219 1.00 0.00 N ATOM 287 CZ ARG A 73 72.941 -3.508 11.128 1.00 0.00 C ATOM 288 NH1 ARG A 73 73.521 -3.860 10.006 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.030 -4.287 12.170 1.00 0.00 N ATOM 0 H ARG A 73 68.686 0.440 8.645 1.00 0.00 H new ATOM 0 HA ARG A 73 68.276 0.371 11.526 1.00 0.00 H new ATOM 0 HB2 ARG A 73 69.741 -1.306 11.419 1.00 0.00 H new ATOM 0 HB3 ARG A 73 69.572 -1.207 9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 73 71.435 0.543 9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 73 71.672 0.198 11.385 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.691 -1.969 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 73 73.144 -1.138 9.759 1.00 0.00 H new ATOM 0 HE ARG A 73 71.821 -2.111 12.103 1.00 0.00 H new ATOM 0 HH11 ARG A 73 73.460 -3.253 9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 73 74.033 -4.740 9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 73 72.586 -4.018 13.048 1.00 0.00 H new ATOM 0 HH22 ARG A 73 73.544 -5.166 12.107 1.00 0.00 H new ATOM 303 N PRO A 74 70.254 1.940 12.298 1.00 0.00 N ATOM 304 CA PRO A 74 71.015 3.149 12.724 1.00 0.00 C ATOM 305 C PRO A 74 72.250 3.401 11.862 1.00 0.00 C ATOM 306 O PRO A 74 72.468 4.514 11.377 1.00 0.00 O ATOM 307 CB PRO A 74 71.395 2.848 14.178 1.00 0.00 C ATOM 308 CG PRO A 74 71.244 1.374 14.331 1.00 0.00 C ATOM 309 CD PRO A 74 70.128 0.965 13.383 1.00 0.00 C ATOM 0 HA PRO A 74 70.425 4.059 12.618 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.417 3.162 14.390 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.747 3.383 14.872 1.00 0.00 H new ATOM 0 HG2 PRO A 74 72.173 0.859 14.085 1.00 0.00 H new ATOM 0 HG3 PRO A 74 70.997 1.112 15.360 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.254 -0.057 13.026 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.150 1.017 13.862 1.00 0.00 H new ATOM 317 N GLU A 75 73.041 2.362 11.647 1.00 0.00 N ATOM 318 CA GLU A 75 74.234 2.492 10.824 1.00 0.00 C ATOM 319 C GLU A 75 73.866 2.639 9.345 1.00 0.00 C ATOM 320 O GLU A 75 74.741 2.845 8.503 1.00 0.00 O ATOM 321 CB GLU A 75 75.140 1.272 11.021 1.00 0.00 C ATOM 322 CG GLU A 75 75.674 1.256 12.457 1.00 0.00 C ATOM 323 CD GLU A 75 76.551 0.026 12.675 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.629 -0.790 11.772 1.00 0.00 O ATOM 325 OE2 GLU A 75 77.131 -0.082 13.743 1.00 0.00 O ATOM 0 H GLU A 75 72.882 1.428 12.026 1.00 0.00 H new ATOM 0 HA GLU A 75 74.768 3.391 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 75 74.584 0.357 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.969 1.304 10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 75 76.249 2.162 12.650 1.00 0.00 H new ATOM 0 HG3 GLU A 75 74.843 1.250 13.163 1.00 0.00 H new ATOM 332 N ARG A 76 72.574 2.527 9.028 1.00 0.00 N ATOM 333 CA ARG A 76 72.125 2.643 7.642 1.00 0.00 C ATOM 334 C ARG A 76 72.325 4.053 7.129 1.00 0.00 C ATOM 335 O ARG A 76 72.430 4.272 5.918 1.00 0.00 O ATOM 336 CB ARG A 76 70.631 2.343 7.550 1.00 0.00 C ATOM 337 CG ARG A 76 70.275 1.928 6.126 1.00 0.00 C ATOM 338 CD ARG A 76 70.321 0.407 6.025 1.00 0.00 C ATOM 339 NE ARG A 76 71.684 -0.039 5.764 1.00 0.00 N ATOM 340 CZ ARG A 76 72.007 -1.332 5.761 1.00 0.00 C ATOM 341 NH1 ARG A 76 71.105 -2.248 6.012 1.00 0.00 N ATOM 342 NH2 ARG A 76 73.235 -1.685 5.503 1.00 0.00 N ATOM 0 H ARG A 76 71.829 2.358 9.704 1.00 0.00 H new ATOM 0 HA ARG A 76 72.706 1.936 7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.367 1.548 8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.055 3.223 7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.281 2.293 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.974 2.373 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 76 69.956 -0.037 6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 76 69.661 0.068 5.227 1.00 0.00 H new ATOM 0 HE ARG A 76 72.408 0.655 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 76 70.143 -1.975 6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 76 71.365 -3.234 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 76 73.939 -0.974 5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 76 73.492 -2.672 5.498 1.00 0.00 H new ATOM 356 N GLU A 77 72.347 5.012 8.047 1.00 0.00 N ATOM 357 CA GLU A 77 72.495 6.392 7.645 1.00 0.00 C ATOM 358 C GLU A 77 71.462 6.717 6.580 1.00 0.00 C ATOM 359 O GLU A 77 71.785 6.848 5.401 1.00 0.00 O ATOM 360 CB GLU A 77 73.894 6.633 7.097 1.00 0.00 C ATOM 361 CG GLU A 77 74.074 8.126 6.829 1.00 0.00 C ATOM 362 CD GLU A 77 75.496 8.416 6.361 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.280 7.484 6.295 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.783 9.570 6.078 1.00 0.00 O ATOM 0 H GLU A 77 72.266 4.858 9.052 1.00 0.00 H new ATOM 0 HA GLU A 77 72.344 7.036 8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.642 6.286 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 77 74.041 6.065 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.362 8.454 6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.860 8.693 7.735 1.00 0.00 H new ATOM 371 N PRO A 78 70.230 6.813 6.974 1.00 0.00 N ATOM 372 CA PRO A 78 69.109 7.100 6.042 1.00 0.00 C ATOM 373 C PRO A 78 69.183 8.505 5.476 1.00 0.00 C ATOM 374 O PRO A 78 69.678 9.433 6.118 1.00 0.00 O ATOM 375 CB PRO A 78 67.864 6.908 6.908 1.00 0.00 C ATOM 376 CG PRO A 78 68.329 7.151 8.305 1.00 0.00 C ATOM 377 CD PRO A 78 69.768 6.665 8.359 1.00 0.00 C ATOM 0 HA PRO A 78 69.121 6.451 5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.075 7.606 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.456 5.904 6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.265 8.209 8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.708 6.613 9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.367 7.260 9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.830 5.630 8.695 1.00 0.00 H new ATOM 385 N ARG A 79 68.709 8.638 4.253 1.00 0.00 N ATOM 386 CA ARG A 79 68.729 9.910 3.560 1.00 0.00 C ATOM 387 C ARG A 79 67.443 10.132 2.785 1.00 0.00 C ATOM 388 O ARG A 79 66.719 9.190 2.515 1.00 0.00 O ATOM 389 CB ARG A 79 69.912 9.939 2.614 1.00 0.00 C ATOM 390 CG ARG A 79 71.199 10.121 3.422 1.00 0.00 C ATOM 391 CD ARG A 79 72.406 9.974 2.502 1.00 0.00 C ATOM 392 NE ARG A 79 73.645 10.152 3.251 1.00 0.00 N ATOM 393 CZ ARG A 79 74.822 9.738 2.771 1.00 0.00 C ATOM 394 NH1 ARG A 79 74.899 9.131 1.612 1.00 0.00 N ATOM 395 NH2 ARG A 79 75.909 9.940 3.464 1.00 0.00 N ATOM 0 H ARG A 79 68.302 7.873 3.715 1.00 0.00 H new ATOM 0 HA ARG A 79 68.819 10.709 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 79 69.957 9.013 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.800 10.753 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 79 71.207 11.103 3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 79 71.246 9.381 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.396 8.990 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.351 10.710 1.700 1.00 0.00 H new ATOM 0 HE ARG A 79 73.612 10.604 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 79 74.054 8.969 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 79 75.804 8.820 1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 79 75.858 10.412 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 79 76.810 9.626 3.103 1.00 0.00 H new ATOM 409 N LEU A 80 67.166 11.387 2.438 1.00 0.00 N ATOM 410 CA LEU A 80 65.948 11.710 1.699 1.00 0.00 C ATOM 411 C LEU A 80 66.279 12.254 0.304 1.00 0.00 C ATOM 412 O LEU A 80 67.058 13.196 0.159 1.00 0.00 O ATOM 413 CB LEU A 80 65.134 12.751 2.475 1.00 0.00 C ATOM 414 CG LEU A 80 63.836 13.061 1.736 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.947 11.823 1.749 1.00 0.00 C ATOM 416 CD2 LEU A 80 63.122 14.225 2.428 1.00 0.00 C ATOM 0 H LEU A 80 67.760 12.188 2.653 1.00 0.00 H new ATOM 0 HA LEU A 80 65.365 10.796 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.912 12.378 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.718 13.663 2.597 1.00 0.00 H new ATOM 0 HG LEU A 80 64.053 13.339 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 80 62.017 12.037 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.463 11.000 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.725 11.545 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.194 14.448 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.897 13.953 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.766 15.105 2.417 1.00 0.00 H new ATOM 428 N LEU A 81 65.665 11.655 -0.716 1.00 0.00 N ATOM 429 CA LEU A 81 65.876 12.077 -2.105 1.00 0.00 C ATOM 430 C LEU A 81 64.909 13.202 -2.493 1.00 0.00 C ATOM 431 O LEU A 81 63.910 13.437 -1.815 1.00 0.00 O ATOM 432 CB LEU A 81 65.645 10.892 -3.048 1.00 0.00 C ATOM 433 CG LEU A 81 66.981 10.332 -3.543 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.805 9.830 -2.356 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.709 9.172 -4.501 1.00 0.00 C ATOM 0 H LEU A 81 65.016 10.875 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 81 66.900 12.440 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.086 10.112 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 81 65.039 11.208 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 81 67.537 11.116 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.755 9.433 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.993 10.655 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.255 9.044 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.655 8.766 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.154 8.392 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.124 9.529 -5.348 1.00 0.00 H new ATOM 447 N PRO A 82 65.186 13.878 -3.579 1.00 0.00 N ATOM 448 CA PRO A 82 64.325 14.986 -4.091 1.00 0.00 C ATOM 449 C PRO A 82 63.006 14.477 -4.676 1.00 0.00 C ATOM 450 O PRO A 82 62.128 15.266 -5.022 1.00 0.00 O ATOM 451 CB PRO A 82 65.182 15.647 -5.169 1.00 0.00 C ATOM 452 CG PRO A 82 66.115 14.584 -5.633 1.00 0.00 C ATOM 453 CD PRO A 82 66.357 13.663 -4.445 1.00 0.00 C ATOM 0 HA PRO A 82 64.031 15.671 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.567 16.016 -5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.727 16.502 -4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 82 65.687 14.032 -6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.052 15.018 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.436 12.622 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.285 13.912 -3.930 1.00 0.00 H new ATOM 461 N CYS A 83 62.869 13.155 -4.776 1.00 0.00 N ATOM 462 CA CYS A 83 61.649 12.560 -5.306 1.00 0.00 C ATOM 463 C CYS A 83 60.703 12.201 -4.169 1.00 0.00 C ATOM 464 O CYS A 83 59.610 11.685 -4.405 1.00 0.00 O ATOM 465 CB CYS A 83 61.978 11.312 -6.128 1.00 0.00 C ATOM 466 SG CYS A 83 62.821 10.099 -5.084 1.00 0.00 S ATOM 0 H CYS A 83 63.584 12.482 -4.498 1.00 0.00 H new ATOM 0 HA CYS A 83 61.162 13.288 -5.955 1.00 0.00 H new ATOM 0 HB2 CYS A 83 61.063 10.882 -6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.610 11.579 -6.975 1.00 0.00 H new ATOM 471 N LEU A 84 61.144 12.487 -2.939 1.00 0.00 N ATOM 472 CA LEU A 84 60.363 12.216 -1.740 1.00 0.00 C ATOM 473 C LEU A 84 60.429 10.754 -1.363 1.00 0.00 C ATOM 474 O LEU A 84 59.439 10.148 -0.958 1.00 0.00 O ATOM 475 CB LEU A 84 58.905 12.655 -1.913 1.00 0.00 C ATOM 476 CG LEU A 84 58.397 13.305 -0.627 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.947 13.752 -0.827 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.463 12.287 0.515 1.00 0.00 C ATOM 0 H LEU A 84 62.052 12.912 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 84 60.801 12.800 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.825 13.358 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.285 11.794 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 84 59.016 14.168 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.580 14.217 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.898 14.472 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.329 12.887 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.101 12.748 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.841 11.426 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.494 11.962 0.653 1.00 0.00 H new ATOM 490 N HIS A 85 61.614 10.202 -1.475 1.00 0.00 N ATOM 491 CA HIS A 85 61.823 8.822 -1.114 1.00 0.00 C ATOM 492 C HIS A 85 63.084 8.701 -0.292 1.00 0.00 C ATOM 493 O HIS A 85 64.160 9.111 -0.716 1.00 0.00 O ATOM 494 CB HIS A 85 61.930 7.970 -2.363 1.00 0.00 C ATOM 495 CG HIS A 85 60.628 8.036 -3.115 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.572 8.208 -4.487 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.323 7.960 -2.698 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.276 8.227 -4.845 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.471 8.078 -3.792 1.00 0.00 N ATOM 0 H HIS A 85 62.446 10.687 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 85 60.976 8.471 -0.524 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.746 8.325 -2.992 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.159 6.938 -2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 85 59.005 7.828 -1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 85 58.929 8.348 -5.861 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.451 8.055 -3.789 1.00 0.00 H new ATOM 507 N SER A 86 62.949 8.140 0.886 1.00 0.00 N ATOM 508 CA SER A 86 64.103 7.983 1.745 1.00 0.00 C ATOM 509 C SER A 86 64.816 6.680 1.414 1.00 0.00 C ATOM 510 O SER A 86 64.180 5.681 1.081 1.00 0.00 O ATOM 511 CB SER A 86 63.685 7.975 3.210 1.00 0.00 C ATOM 512 OG SER A 86 62.958 9.163 3.498 1.00 0.00 O ATOM 0 H SER A 86 62.071 7.790 1.268 1.00 0.00 H new ATOM 0 HA SER A 86 64.776 8.824 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 86 63.071 7.099 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.564 7.909 3.851 1.00 0.00 H new ATOM 0 HG SER A 86 63.420 9.667 4.200 1.00 0.00 H new ATOM 518 N ALA A 87 66.139 6.702 1.489 1.00 0.00 N ATOM 519 CA ALA A 87 66.922 5.514 1.176 1.00 0.00 C ATOM 520 C ALA A 87 68.226 5.493 1.971 1.00 0.00 C ATOM 521 O ALA A 87 68.638 6.502 2.537 1.00 0.00 O ATOM 522 CB ALA A 87 67.222 5.468 -0.324 1.00 0.00 C ATOM 0 H ALA A 87 66.688 7.518 1.760 1.00 0.00 H new ATOM 0 HA ALA A 87 66.339 4.636 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.808 4.577 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.286 5.438 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.786 6.356 -0.610 1.00 0.00 H new ATOM 528 N CYS A 88 68.859 4.327 2.013 1.00 0.00 N ATOM 529 CA CYS A 88 70.109 4.157 2.746 1.00 0.00 C ATOM 530 C CYS A 88 71.221 4.966 2.085 1.00 0.00 C ATOM 531 O CYS A 88 71.199 5.176 0.876 1.00 0.00 O ATOM 532 CB CYS A 88 70.503 2.678 2.728 1.00 0.00 C ATOM 533 SG CYS A 88 69.082 1.659 3.182 1.00 0.00 S ATOM 0 H CYS A 88 68.527 3.483 1.547 1.00 0.00 H new ATOM 0 HA CYS A 88 69.969 4.502 3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.860 2.399 1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.324 2.503 3.423 1.00 0.00 H new ATOM 538 N SER A 89 72.206 5.412 2.864 1.00 0.00 N ATOM 539 CA SER A 89 73.304 6.171 2.292 1.00 0.00 C ATOM 540 C SER A 89 74.056 5.312 1.277 1.00 0.00 C ATOM 541 O SER A 89 74.416 5.765 0.186 1.00 0.00 O ATOM 542 CB SER A 89 74.254 6.595 3.407 1.00 0.00 C ATOM 543 OG SER A 89 74.760 5.435 4.056 1.00 0.00 O ATOM 0 H SER A 89 72.262 5.262 3.871 1.00 0.00 H new ATOM 0 HA SER A 89 72.911 7.054 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 89 75.074 7.184 2.998 1.00 0.00 H new ATOM 0 HB3 SER A 89 73.733 7.229 4.124 1.00 0.00 H new ATOM 0 HG SER A 89 75.584 5.662 4.535 1.00 0.00 H new ATOM 549 N ALA A 90 74.263 4.058 1.650 1.00 0.00 N ATOM 550 CA ALA A 90 74.949 3.101 0.793 1.00 0.00 C ATOM 551 C ALA A 90 74.140 2.851 -0.471 1.00 0.00 C ATOM 552 O ALA A 90 74.694 2.751 -1.560 1.00 0.00 O ATOM 553 CB ALA A 90 75.153 1.785 1.543 1.00 0.00 C ATOM 0 H ALA A 90 73.963 3.677 2.547 1.00 0.00 H new ATOM 0 HA ALA A 90 75.920 3.512 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.667 1.074 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.754 1.964 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.185 1.378 1.833 1.00 0.00 H new ATOM 559 N CYS A 91 72.821 2.755 -0.308 1.00 0.00 N ATOM 560 CA CYS A 91 71.924 2.528 -1.432 1.00 0.00 C ATOM 561 C CYS A 91 71.870 3.773 -2.316 1.00 0.00 C ATOM 562 O CYS A 91 71.698 3.697 -3.536 1.00 0.00 O ATOM 563 CB CYS A 91 70.525 2.175 -0.921 1.00 0.00 C ATOM 564 SG CYS A 91 70.579 0.532 -0.167 1.00 0.00 S ATOM 0 H CYS A 91 72.353 2.832 0.595 1.00 0.00 H new ATOM 0 HA CYS A 91 72.299 1.695 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.191 2.914 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.808 2.190 -1.742 1.00 0.00 H new ATOM 569 N LEU A 92 72.020 4.923 -1.681 1.00 0.00 N ATOM 570 CA LEU A 92 71.986 6.188 -2.384 1.00 0.00 C ATOM 571 C LEU A 92 73.136 6.303 -3.381 1.00 0.00 C ATOM 572 O LEU A 92 72.969 6.856 -4.476 1.00 0.00 O ATOM 573 CB LEU A 92 72.076 7.302 -1.355 1.00 0.00 C ATOM 574 CG LEU A 92 70.807 8.145 -1.422 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.703 7.473 -0.606 1.00 0.00 C ATOM 576 CD2 LEU A 92 71.090 9.523 -0.850 1.00 0.00 C ATOM 0 H LEU A 92 72.167 5.003 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 92 71.057 6.260 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.197 6.883 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 92 72.951 7.923 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 92 70.485 8.237 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.796 8.076 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 92 69.502 6.482 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 92 70.023 7.381 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 92 70.185 10.129 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 92 71.410 9.428 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 92 71.878 10.003 -1.430 1.00 0.00 H new ATOM 588 N GLY A 93 74.296 5.781 -3.008 1.00 0.00 N ATOM 589 CA GLY A 93 75.453 5.836 -3.896 1.00 0.00 C ATOM 590 C GLY A 93 75.095 5.345 -5.305 1.00 0.00 C ATOM 591 O GLY A 93 75.163 6.116 -6.265 1.00 0.00 O ATOM 0 H GLY A 93 74.462 5.322 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.826 6.859 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.257 5.224 -3.488 1.00 0.00 H new ATOM 595 N PRO A 94 74.695 4.101 -5.454 1.00 0.00 N ATOM 596 CA PRO A 94 74.313 3.545 -6.786 1.00 0.00 C ATOM 597 C PRO A 94 73.087 4.246 -7.351 1.00 0.00 C ATOM 598 O PRO A 94 72.866 4.249 -8.563 1.00 0.00 O ATOM 599 CB PRO A 94 74.037 2.064 -6.512 1.00 0.00 C ATOM 600 CG PRO A 94 73.757 1.976 -5.052 1.00 0.00 C ATOM 601 CD PRO A 94 74.560 3.094 -4.390 1.00 0.00 C ATOM 0 HA PRO A 94 75.093 3.688 -7.533 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.189 1.708 -7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.894 1.448 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 94 72.692 2.093 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 94 74.050 1.002 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 94 74.043 3.498 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.532 2.740 -4.047 1.00 0.00 H new ATOM 609 N ALA A 95 72.296 4.850 -6.468 1.00 0.00 N ATOM 610 CA ALA A 95 71.103 5.562 -6.901 1.00 0.00 C ATOM 611 C ALA A 95 71.488 6.688 -7.865 1.00 0.00 C ATOM 612 O ALA A 95 70.796 6.932 -8.859 1.00 0.00 O ATOM 613 CB ALA A 95 70.365 6.136 -5.687 1.00 0.00 C ATOM 0 H ALA A 95 72.459 4.860 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 95 70.442 4.866 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.474 6.667 -6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.075 5.324 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.021 6.826 -5.155 1.00 0.00 H new ATOM 619 N ALA A 96 72.606 7.362 -7.578 1.00 0.00 N ATOM 620 CA ALA A 96 73.071 8.442 -8.451 1.00 0.00 C ATOM 621 C ALA A 96 74.112 7.902 -9.445 1.00 0.00 C ATOM 622 O ALA A 96 75.165 7.424 -9.026 1.00 0.00 O ATOM 623 CB ALA A 96 73.709 9.567 -7.632 1.00 0.00 C ATOM 0 H ALA A 96 73.195 7.184 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 96 72.209 8.835 -8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.047 10.358 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 96 72.975 9.971 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.560 9.174 -7.076 1.00 0.00 H new ATOM 629 N PRO A 97 73.861 7.959 -10.741 1.00 0.00 N ATOM 630 CA PRO A 97 74.834 7.449 -11.761 1.00 0.00 C ATOM 631 C PRO A 97 76.208 8.096 -11.627 1.00 0.00 C ATOM 632 O PRO A 97 76.319 9.286 -11.346 1.00 0.00 O ATOM 633 CB PRO A 97 74.186 7.831 -13.097 1.00 0.00 C ATOM 634 CG PRO A 97 72.732 7.912 -12.796 1.00 0.00 C ATOM 635 CD PRO A 97 72.647 8.492 -11.392 1.00 0.00 C ATOM 0 HA PRO A 97 75.014 6.379 -11.652 1.00 0.00 H new ATOM 0 HB2 PRO A 97 74.569 8.783 -13.466 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.391 7.086 -13.865 1.00 0.00 H new ATOM 0 HG2 PRO A 97 72.216 8.547 -13.516 1.00 0.00 H new ATOM 0 HG3 PRO A 97 72.264 6.929 -12.845 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.641 9.582 -11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.740 8.174 -10.878 1.00 0.00 H new ATOM 643 N ALA A 98 77.254 7.299 -11.829 1.00 0.00 N ATOM 644 CA ALA A 98 78.617 7.806 -11.731 1.00 0.00 C ATOM 645 C ALA A 98 79.106 8.304 -13.089 1.00 0.00 C ATOM 646 O ALA A 98 79.992 9.156 -13.166 1.00 0.00 O ATOM 647 CB ALA A 98 79.548 6.707 -11.223 1.00 0.00 C ATOM 0 H ALA A 98 77.184 6.308 -12.060 1.00 0.00 H new ATOM 0 HA ALA A 98 78.623 8.640 -11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 98 80.564 7.095 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 98 79.217 6.376 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 98 79.528 5.865 -11.915 1.00 0.00 H new ATOM 653 N ALA A 99 78.523 7.767 -14.158 1.00 0.00 N ATOM 654 CA ALA A 99 78.910 8.165 -15.508 1.00 0.00 C ATOM 655 C ALA A 99 78.198 9.452 -15.915 1.00 0.00 C ATOM 656 O ALA A 99 77.015 9.634 -15.628 1.00 0.00 O ATOM 657 CB ALA A 99 78.563 7.054 -16.500 1.00 0.00 C ATOM 0 H ALA A 99 77.788 7.062 -14.117 1.00 0.00 H new ATOM 0 HA ALA A 99 79.986 8.340 -15.519 1.00 0.00 H new ATOM 0 HB1 ALA A 99 78.855 7.359 -17.505 1.00 0.00 H new ATOM 0 HB2 ALA A 99 79.097 6.143 -16.228 1.00 0.00 H new ATOM 0 HB3 ALA A 99 77.490 6.866 -16.475 1.00 0.00 H new ATOM 663 N ALA A 100 78.923 10.340 -16.587 1.00 0.00 N ATOM 664 CA ALA A 100 78.343 11.604 -17.031 1.00 0.00 C ATOM 665 C ALA A 100 78.860 11.979 -18.416 1.00 0.00 C ATOM 666 O ALA A 100 80.047 11.836 -18.708 1.00 0.00 O ATOM 667 CB ALA A 100 78.689 12.713 -16.036 1.00 0.00 C ATOM 0 H ALA A 100 79.904 10.211 -16.835 1.00 0.00 H new ATOM 0 HA ALA A 100 77.261 11.486 -17.083 1.00 0.00 H new ATOM 0 HB1 ALA A 100 78.253 13.653 -16.373 1.00 0.00 H new ATOM 0 HB2 ALA A 100 78.289 12.459 -15.054 1.00 0.00 H new ATOM 0 HB3 ALA A 100 79.772 12.818 -15.970 1.00 0.00 H new ATOM 673 N ASN A 101 77.958 12.463 -19.262 1.00 0.00 N ATOM 674 CA ASN A 101 78.325 12.864 -20.617 1.00 0.00 C ATOM 675 C ASN A 101 79.331 14.011 -20.584 1.00 0.00 C ATOM 676 O ASN A 101 80.274 14.046 -21.374 1.00 0.00 O ATOM 677 CB ASN A 101 77.077 13.298 -21.388 1.00 0.00 C ATOM 678 CG ASN A 101 77.427 13.566 -22.848 1.00 0.00 C ATOM 679 OD1 ASN A 101 78.603 13.632 -23.204 1.00 0.00 O ATOM 680 ND2 ASN A 101 76.470 13.726 -23.721 1.00 0.00 N ATOM 0 H ASN A 101 76.971 12.587 -19.036 1.00 0.00 H new ATOM 0 HA ASN A 101 78.783 12.011 -21.117 1.00 0.00 H new ATOM 0 HB2 ASN A 101 76.314 12.522 -21.326 1.00 0.00 H new ATOM 0 HB3 ASN A 101 76.656 14.196 -20.937 1.00 0.00 H new ATOM 0 HD21 ASN A 101 76.697 13.906 -24.699 1.00 0.00 H new ATOM 0 HD22 ASN A 101 75.495 13.671 -23.425 1.00 0.00 H new ATOM 687 N SER A 102 79.113 14.950 -19.666 1.00 0.00 N ATOM 688 CA SER A 102 79.995 16.108 -19.531 1.00 0.00 C ATOM 689 C SER A 102 79.865 17.015 -20.750 1.00 0.00 C ATOM 690 O SER A 102 80.863 17.472 -21.307 1.00 0.00 O ATOM 691 CB SER A 102 81.447 15.654 -19.378 1.00 0.00 C ATOM 692 OG SER A 102 82.182 16.664 -18.699 1.00 0.00 O ATOM 0 H SER A 102 78.336 14.932 -19.006 1.00 0.00 H new ATOM 0 HA SER A 102 79.701 16.664 -18.641 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.491 14.718 -18.821 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.886 15.463 -20.357 1.00 0.00 H new ATOM 0 HG SER A 102 83.114 16.378 -18.597 1.00 0.00 H new ATOM 698 N SER A 103 78.625 17.271 -21.156 1.00 0.00 N ATOM 699 CA SER A 103 78.364 18.124 -22.308 1.00 0.00 C ATOM 700 C SER A 103 77.019 18.828 -22.155 1.00 0.00 C ATOM 701 O SER A 103 76.100 18.303 -21.526 1.00 0.00 O ATOM 702 CB SER A 103 78.361 17.288 -23.589 1.00 0.00 C ATOM 703 OG SER A 103 78.095 18.132 -24.700 1.00 0.00 O ATOM 0 H SER A 103 77.788 16.901 -20.705 1.00 0.00 H new ATOM 0 HA SER A 103 79.152 18.874 -22.368 1.00 0.00 H new ATOM 0 HB2 SER A 103 79.324 16.793 -23.716 1.00 0.00 H new ATOM 0 HB3 SER A 103 77.606 16.505 -23.524 1.00 0.00 H new ATOM 0 HG SER A 103 78.094 17.599 -25.523 1.00 0.00 H new ATOM 709 N GLY A 104 76.910 20.020 -22.732 1.00 0.00 N ATOM 710 CA GLY A 104 75.671 20.781 -22.652 1.00 0.00 C ATOM 711 C GLY A 104 75.541 21.498 -21.311 1.00 0.00 C ATOM 712 O GLY A 104 74.450 21.926 -20.934 1.00 0.00 O ATOM 0 H GLY A 104 77.658 20.476 -23.255 1.00 0.00 H new ATOM 0 HA2 GLY A 104 75.638 21.511 -23.461 1.00 0.00 H new ATOM 0 HA3 GLY A 104 74.822 20.112 -22.792 1.00 0.00 H new ATOM 716 N ASP A 105 76.653 21.632 -20.593 1.00 0.00 N ATOM 717 CA ASP A 105 76.627 22.307 -19.299 1.00 0.00 C ATOM 718 C ASP A 105 75.607 21.655 -18.373 1.00 0.00 C ATOM 719 O ASP A 105 74.661 22.303 -17.926 1.00 0.00 O ATOM 720 CB ASP A 105 76.277 23.784 -19.485 1.00 0.00 C ATOM 721 CG ASP A 105 76.586 24.558 -18.207 1.00 0.00 C ATOM 722 OD1 ASP A 105 77.132 23.960 -17.295 1.00 0.00 O ATOM 723 OD2 ASP A 105 76.268 25.736 -18.160 1.00 0.00 O ATOM 0 H ASP A 105 77.570 21.288 -20.879 1.00 0.00 H new ATOM 0 HA ASP A 105 77.616 22.222 -18.849 1.00 0.00 H new ATOM 0 HB2 ASP A 105 76.845 24.199 -20.318 1.00 0.00 H new ATOM 0 HB3 ASP A 105 75.221 23.887 -19.736 1.00 0.00 H new ATOM 728 N GLY A 106 75.800 20.370 -18.091 1.00 0.00 N ATOM 729 CA GLY A 106 74.878 19.649 -17.218 1.00 0.00 C ATOM 730 C GLY A 106 73.826 18.895 -18.027 1.00 0.00 C ATOM 731 O GLY A 106 72.799 18.482 -17.486 1.00 0.00 O ATOM 0 H GLY A 106 76.575 19.812 -18.448 1.00 0.00 H new ATOM 0 HA2 GLY A 106 75.435 18.947 -16.597 1.00 0.00 H new ATOM 0 HA3 GLY A 106 74.388 20.351 -16.544 1.00 0.00 H new ATOM 735 N GLY A 107 74.084 18.716 -19.324 1.00 0.00 N ATOM 736 CA GLY A 107 73.144 18.010 -20.187 1.00 0.00 C ATOM 737 C GLY A 107 73.226 16.496 -19.989 1.00 0.00 C ATOM 738 O GLY A 107 72.501 15.743 -20.638 1.00 0.00 O ATOM 0 H GLY A 107 74.927 19.047 -19.793 1.00 0.00 H new ATOM 0 HA2 GLY A 107 72.130 18.351 -19.977 1.00 0.00 H new ATOM 0 HA3 GLY A 107 73.353 18.253 -21.229 1.00 0.00 H new ATOM 742 N ALA A 108 74.110 16.050 -19.097 1.00 0.00 N ATOM 743 CA ALA A 108 74.260 14.621 -18.846 1.00 0.00 C ATOM 744 C ALA A 108 72.935 14.017 -18.390 1.00 0.00 C ATOM 745 O ALA A 108 72.207 14.616 -17.601 1.00 0.00 O ATOM 746 CB ALA A 108 75.319 14.391 -17.767 1.00 0.00 C ATOM 0 H ALA A 108 74.724 16.649 -18.545 1.00 0.00 H new ATOM 0 HA ALA A 108 74.570 14.138 -19.773 1.00 0.00 H new ATOM 0 HB1 ALA A 108 75.426 13.322 -17.584 1.00 0.00 H new ATOM 0 HB2 ALA A 108 76.273 14.799 -18.101 1.00 0.00 H new ATOM 0 HB3 ALA A 108 75.014 14.888 -16.846 1.00 0.00 H new ATOM 752 N ALA A 109 72.633 12.826 -18.896 1.00 0.00 N ATOM 753 CA ALA A 109 71.394 12.141 -18.539 1.00 0.00 C ATOM 754 C ALA A 109 71.356 11.836 -17.045 1.00 0.00 C ATOM 755 O ALA A 109 70.316 11.960 -16.399 1.00 0.00 O ATOM 756 CB ALA A 109 71.280 10.835 -19.327 1.00 0.00 C ATOM 0 H ALA A 109 73.225 12.316 -19.552 1.00 0.00 H new ATOM 0 HA ALA A 109 70.557 12.794 -18.785 1.00 0.00 H new ATOM 0 HB1 ALA A 109 70.354 10.327 -19.057 1.00 0.00 H new ATOM 0 HB2 ALA A 109 71.276 11.053 -20.395 1.00 0.00 H new ATOM 0 HB3 ALA A 109 72.128 10.192 -19.091 1.00 0.00 H new ATOM 762 N GLY A 110 72.501 11.432 -16.509 1.00 0.00 N ATOM 763 CA GLY A 110 72.606 11.100 -15.091 1.00 0.00 C ATOM 764 C GLY A 110 73.926 11.602 -14.519 1.00 0.00 C ATOM 765 O GLY A 110 74.784 12.078 -15.263 1.00 0.00 O ATOM 0 H GLY A 110 73.370 11.326 -17.033 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.774 11.545 -14.545 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.533 10.021 -14.958 1.00 0.00 H new ATOM 769 N ASP A 111 74.071 11.480 -13.199 1.00 0.00 N ATOM 770 CA ASP A 111 75.293 11.903 -12.502 1.00 0.00 C ATOM 771 C ASP A 111 75.387 13.421 -12.386 1.00 0.00 C ATOM 772 O ASP A 111 76.040 14.078 -13.197 1.00 0.00 O ATOM 773 CB ASP A 111 76.538 11.373 -13.223 1.00 0.00 C ATOM 774 CG ASP A 111 77.743 11.418 -12.288 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.538 11.505 -11.090 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.854 11.369 -12.790 1.00 0.00 O ATOM 0 H ASP A 111 73.355 11.090 -12.586 1.00 0.00 H new ATOM 0 HA ASP A 111 75.245 11.485 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.366 10.350 -13.558 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.735 11.971 -14.112 1.00 0.00 H new ATOM 781 N GLY A 112 74.724 13.969 -11.373 1.00 0.00 N ATOM 782 CA GLY A 112 74.723 15.406 -11.155 1.00 0.00 C ATOM 783 C GLY A 112 73.388 16.000 -11.569 1.00 0.00 C ATOM 784 O GLY A 112 73.101 17.165 -11.298 1.00 0.00 O ATOM 0 H GLY A 112 74.182 13.438 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 112 74.915 15.622 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 112 75.528 15.868 -11.727 1.00 0.00 H new ATOM 788 N THR A 113 72.570 15.178 -12.215 1.00 0.00 N ATOM 789 CA THR A 113 71.255 15.604 -12.650 1.00 0.00 C ATOM 790 C THR A 113 70.187 14.775 -11.927 1.00 0.00 C ATOM 791 O THR A 113 70.098 14.827 -10.705 1.00 0.00 O ATOM 792 CB THR A 113 71.147 15.528 -14.184 1.00 0.00 C ATOM 793 OG1 THR A 113 69.798 15.729 -14.582 1.00 0.00 O ATOM 794 CG2 THR A 113 71.633 14.165 -14.680 1.00 0.00 C ATOM 0 H THR A 113 72.799 14.212 -12.447 1.00 0.00 H new ATOM 0 HA THR A 113 71.089 16.648 -12.385 1.00 0.00 H new ATOM 0 HB THR A 113 71.772 16.307 -14.620 1.00 0.00 H new ATOM 0 HG1 THR A 113 69.735 15.681 -15.559 1.00 0.00 H new ATOM 0 HG21 THR A 113 71.552 14.123 -15.766 1.00 0.00 H new ATOM 0 HG22 THR A 113 72.673 14.021 -14.388 1.00 0.00 H new ATOM 0 HG23 THR A 113 71.021 13.378 -14.240 1.00 0.00 H new ATOM 802 N VAL A 114 69.376 14.024 -12.657 1.00 0.00 N ATOM 803 CA VAL A 114 68.342 13.221 -12.021 1.00 0.00 C ATOM 804 C VAL A 114 68.943 11.940 -11.445 1.00 0.00 C ATOM 805 O VAL A 114 69.947 11.435 -11.942 1.00 0.00 O ATOM 806 CB VAL A 114 67.261 12.869 -13.045 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.071 14.038 -14.010 1.00 0.00 C ATOM 808 CG2 VAL A 114 67.686 11.627 -13.832 1.00 0.00 C ATOM 0 H VAL A 114 69.412 13.953 -13.674 1.00 0.00 H new ATOM 0 HA VAL A 114 67.899 13.797 -11.208 1.00 0.00 H new ATOM 0 HB VAL A 114 66.324 12.669 -12.526 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.301 13.786 -14.739 1.00 0.00 H new ATOM 0 HG12 VAL A 114 66.767 14.924 -13.453 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.009 14.239 -14.528 1.00 0.00 H new ATOM 0 HG21 VAL A 114 66.915 11.377 -14.561 1.00 0.00 H new ATOM 0 HG22 VAL A 114 68.624 11.828 -14.350 1.00 0.00 H new ATOM 0 HG23 VAL A 114 67.822 10.791 -13.146 1.00 0.00 H new ATOM 818 N VAL A 115 68.319 11.430 -10.391 1.00 0.00 N ATOM 819 CA VAL A 115 68.790 10.215 -9.738 1.00 0.00 C ATOM 820 C VAL A 115 67.788 9.092 -9.940 1.00 0.00 C ATOM 821 O VAL A 115 66.582 9.289 -9.789 1.00 0.00 O ATOM 822 CB VAL A 115 68.974 10.466 -8.243 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.488 9.197 -7.555 1.00 0.00 C ATOM 824 CG2 VAL A 115 69.974 11.609 -8.036 1.00 0.00 C ATOM 0 H VAL A 115 67.485 11.839 -9.970 1.00 0.00 H new ATOM 0 HA VAL A 115 69.745 9.929 -10.179 1.00 0.00 H new ATOM 0 HB VAL A 115 68.014 10.739 -7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.616 9.387 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.769 8.390 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.445 8.910 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.106 11.789 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 115 70.932 11.339 -8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 115 69.596 12.514 -8.512 1.00 0.00 H new ATOM 834 N ASP A 116 68.292 7.913 -10.275 1.00 0.00 N ATOM 835 CA ASP A 116 67.417 6.772 -10.485 1.00 0.00 C ATOM 836 C ASP A 116 66.981 6.213 -9.144 1.00 0.00 C ATOM 837 O ASP A 116 67.745 5.549 -8.444 1.00 0.00 O ATOM 838 CB ASP A 116 68.116 5.690 -11.310 1.00 0.00 C ATOM 839 CG ASP A 116 69.541 5.478 -10.811 1.00 0.00 C ATOM 840 OD1 ASP A 116 70.422 6.186 -11.271 1.00 0.00 O ATOM 841 OD2 ASP A 116 69.732 4.608 -9.977 1.00 0.00 O ATOM 0 H ASP A 116 69.286 7.724 -10.405 1.00 0.00 H new ATOM 0 HA ASP A 116 66.540 7.102 -11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 116 67.558 4.756 -11.244 1.00 0.00 H new ATOM 0 HB3 ASP A 116 68.131 5.978 -12.361 1.00 0.00 H new ATOM 846 N CYS A 117 65.741 6.512 -8.800 1.00 0.00 N ATOM 847 CA CYS A 117 65.159 6.078 -7.547 1.00 0.00 C ATOM 848 C CYS A 117 64.287 4.861 -7.812 1.00 0.00 C ATOM 849 O CYS A 117 63.335 4.974 -8.541 1.00 0.00 O ATOM 850 CB CYS A 117 64.285 7.206 -7.027 1.00 0.00 C ATOM 851 SG CYS A 117 63.863 6.909 -5.296 1.00 0.00 S ATOM 0 H CYS A 117 65.111 7.063 -9.383 1.00 0.00 H new ATOM 0 HA CYS A 117 65.934 5.827 -6.823 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.808 8.157 -7.125 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.376 7.279 -7.625 1.00 0.00 H new ATOM 856 N PRO A 118 64.565 3.710 -7.282 1.00 0.00 N ATOM 857 CA PRO A 118 63.727 2.516 -7.577 1.00 0.00 C ATOM 858 C PRO A 118 62.238 2.739 -7.319 1.00 0.00 C ATOM 859 O PRO A 118 61.401 1.951 -7.766 1.00 0.00 O ATOM 860 CB PRO A 118 64.269 1.432 -6.654 1.00 0.00 C ATOM 861 CG PRO A 118 65.631 1.874 -6.253 1.00 0.00 C ATOM 862 CD PRO A 118 65.673 3.396 -6.369 1.00 0.00 C ATOM 0 HA PRO A 118 63.788 2.259 -8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.628 1.307 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.306 0.469 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 118 65.850 1.561 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.386 1.420 -6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.540 3.875 -5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.628 3.741 -6.766 1.00 0.00 H new ATOM 870 N VAL A 119 61.907 3.786 -6.583 1.00 0.00 N ATOM 871 CA VAL A 119 60.514 4.061 -6.261 1.00 0.00 C ATOM 872 C VAL A 119 59.781 4.726 -7.432 1.00 0.00 C ATOM 873 O VAL A 119 58.834 4.158 -7.976 1.00 0.00 O ATOM 874 CB VAL A 119 60.460 4.954 -5.029 1.00 0.00 C ATOM 875 CG1 VAL A 119 59.008 5.104 -4.573 1.00 0.00 C ATOM 876 CG2 VAL A 119 61.297 4.316 -3.912 1.00 0.00 C ATOM 0 H VAL A 119 62.575 4.455 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 119 60.010 3.115 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 119 60.862 5.939 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.968 5.743 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.420 5.553 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.600 4.123 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.264 4.949 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.893 3.333 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.330 4.212 -4.245 1.00 0.00 H new ATOM 886 N CYS A 120 60.227 5.918 -7.832 1.00 0.00 N ATOM 887 CA CYS A 120 59.602 6.617 -8.959 1.00 0.00 C ATOM 888 C CYS A 120 60.433 6.413 -10.218 1.00 0.00 C ATOM 889 O CYS A 120 59.915 6.398 -11.334 1.00 0.00 O ATOM 890 CB CYS A 120 59.496 8.110 -8.667 1.00 0.00 C ATOM 891 SG CYS A 120 61.107 8.738 -8.114 1.00 0.00 S ATOM 0 H CYS A 120 61.007 6.415 -7.401 1.00 0.00 H new ATOM 0 HA CYS A 120 58.602 6.209 -9.106 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.174 8.644 -9.561 1.00 0.00 H new ATOM 0 HB3 CYS A 120 58.742 8.288 -7.900 1.00 0.00 H new ATOM 896 N LYS A 121 61.722 6.237 -10.003 1.00 0.00 N ATOM 897 CA LYS A 121 62.672 6.001 -11.078 1.00 0.00 C ATOM 898 C LYS A 121 62.759 7.204 -12.012 1.00 0.00 C ATOM 899 O LYS A 121 62.988 7.054 -13.212 1.00 0.00 O ATOM 900 CB LYS A 121 62.273 4.752 -11.862 1.00 0.00 C ATOM 901 CG LYS A 121 62.016 3.583 -10.903 1.00 0.00 C ATOM 902 CD LYS A 121 63.082 2.493 -11.074 1.00 0.00 C ATOM 903 CE LYS A 121 64.485 3.104 -10.965 1.00 0.00 C ATOM 904 NZ LYS A 121 65.455 2.073 -10.490 1.00 0.00 N ATOM 0 H LYS A 121 62.144 6.253 -9.074 1.00 0.00 H new ATOM 0 HA LYS A 121 63.656 5.848 -10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.377 4.953 -12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.063 4.488 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 121 62.020 3.943 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 121 61.027 3.164 -11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.952 1.724 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 121 62.963 2.006 -12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 121 64.799 3.491 -11.935 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.471 3.947 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 65.755 2.299 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 65.001 1.137 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 66.285 2.063 -11.116 1.00 0.00 H new ATOM 918 N GLN A 122 62.591 8.396 -11.449 1.00 0.00 N ATOM 919 CA GLN A 122 62.668 9.621 -12.238 1.00 0.00 C ATOM 920 C GLN A 122 62.821 10.843 -11.337 1.00 0.00 C ATOM 921 O GLN A 122 62.167 10.946 -10.300 1.00 0.00 O ATOM 922 CB GLN A 122 61.414 9.772 -13.091 1.00 0.00 C ATOM 923 CG GLN A 122 61.540 11.018 -13.971 1.00 0.00 C ATOM 924 CD GLN A 122 60.314 11.132 -14.873 1.00 0.00 C ATOM 925 OE1 GLN A 122 59.470 10.235 -14.884 1.00 0.00 O ATOM 926 NE2 GLN A 122 60.160 12.182 -15.632 1.00 0.00 N ATOM 0 H GLN A 122 62.402 8.540 -10.457 1.00 0.00 H new ATOM 0 HA GLN A 122 63.544 9.553 -12.884 1.00 0.00 H new ATOM 0 HB2 GLN A 122 61.276 8.887 -13.713 1.00 0.00 H new ATOM 0 HB3 GLN A 122 60.535 9.853 -12.452 1.00 0.00 H new ATOM 0 HG2 GLN A 122 61.630 11.908 -13.348 1.00 0.00 H new ATOM 0 HG3 GLN A 122 62.445 10.959 -14.576 1.00 0.00 H new ATOM 0 HE21 GLN A 122 60.859 12.925 -15.623 1.00 0.00 H new ATOM 0 HE22 GLN A 122 59.341 12.260 -16.234 1.00 0.00 H new ATOM 935 N GLN A 123 63.680 11.768 -11.748 1.00 0.00 N ATOM 936 CA GLN A 123 63.903 12.987 -10.978 1.00 0.00 C ATOM 937 C GLN A 123 64.172 14.170 -11.896 1.00 0.00 C ATOM 938 O GLN A 123 64.438 13.997 -13.082 1.00 0.00 O ATOM 939 CB GLN A 123 65.077 12.799 -10.013 1.00 0.00 C ATOM 940 CG GLN A 123 64.551 12.605 -8.588 1.00 0.00 C ATOM 941 CD GLN A 123 63.805 13.861 -8.138 1.00 0.00 C ATOM 942 OE1 GLN A 123 62.655 13.779 -7.709 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.392 15.024 -8.223 1.00 0.00 N ATOM 0 H GLN A 123 64.230 11.699 -12.604 1.00 0.00 H new ATOM 0 HA GLN A 123 62.999 13.194 -10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.671 11.935 -10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.735 13.667 -10.053 1.00 0.00 H new ATOM 0 HG2 GLN A 123 63.886 11.742 -8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.379 12.399 -7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.346 15.089 -8.579 1.00 0.00 H new ATOM 0 HE22 GLN A 123 63.897 15.867 -7.933 1.00 0.00 H new ATOM 952 N CYS A 124 64.095 15.373 -11.338 1.00 0.00 N ATOM 953 CA CYS A 124 64.339 16.580 -12.115 1.00 0.00 C ATOM 954 C CYS A 124 65.786 17.037 -11.946 1.00 0.00 C ATOM 955 O CYS A 124 66.489 17.282 -12.926 1.00 0.00 O ATOM 956 CB CYS A 124 63.392 17.694 -11.663 1.00 0.00 C ATOM 957 SG CYS A 124 61.681 17.197 -11.986 1.00 0.00 S ATOM 0 H CYS A 124 63.867 15.537 -10.357 1.00 0.00 H new ATOM 0 HA CYS A 124 64.158 16.358 -13.167 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.530 17.895 -10.600 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.620 18.618 -12.194 1.00 0.00 H new ATOM 0 HG CYS A 124 60.875 18.141 -11.601 1.00 0.00 H new ATOM 963 N PHE A 125 66.222 17.150 -10.693 1.00 0.00 N ATOM 964 CA PHE A 125 67.587 17.582 -10.405 1.00 0.00 C ATOM 965 C PHE A 125 68.150 16.827 -9.212 1.00 0.00 C ATOM 966 O PHE A 125 67.452 16.032 -8.582 1.00 0.00 O ATOM 967 CB PHE A 125 67.614 19.077 -10.099 1.00 0.00 C ATOM 968 CG PHE A 125 66.866 19.820 -11.182 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.575 20.300 -10.937 1.00 0.00 C ATOM 970 CD2 PHE A 125 67.463 20.020 -12.433 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.879 20.981 -11.944 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.769 20.702 -13.439 1.00 0.00 C ATOM 973 CZ PHE A 125 65.476 21.180 -13.195 1.00 0.00 C ATOM 0 H PHE A 125 65.656 16.950 -9.868 1.00 0.00 H new ATOM 0 HA PHE A 125 68.197 17.373 -11.284 1.00 0.00 H new ATOM 0 HB2 PHE A 125 67.158 19.270 -9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.644 19.430 -10.044 1.00 0.00 H new ATOM 0 HD1 PHE A 125 65.115 20.146 -9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 125 68.459 19.648 -12.621 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.882 21.352 -11.756 1.00 0.00 H new ATOM 0 HE2 PHE A 125 67.231 20.859 -14.403 1.00 0.00 H new ATOM 0 HZ PHE A 125 64.938 21.703 -13.972 1.00 0.00 H new ATOM 983 N SER A 126 69.416 17.084 -8.907 1.00 0.00 N ATOM 984 CA SER A 126 70.065 16.425 -7.784 1.00 0.00 C ATOM 985 C SER A 126 70.449 17.427 -6.694 1.00 0.00 C ATOM 986 O SER A 126 71.469 17.283 -6.028 1.00 0.00 O ATOM 987 CB SER A 126 71.305 15.676 -8.276 1.00 0.00 C ATOM 988 OG SER A 126 70.987 14.300 -8.441 1.00 0.00 O ATOM 0 H SER A 126 70.008 17.739 -9.418 1.00 0.00 H new ATOM 0 HA SER A 126 69.360 15.717 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.648 16.098 -9.221 1.00 0.00 H new ATOM 0 HB3 SER A 126 72.120 15.790 -7.561 1.00 0.00 H new ATOM 0 HG SER A 126 70.790 14.121 -9.384 1.00 0.00 H new ATOM 994 N LYS A 127 69.628 18.448 -6.520 1.00 0.00 N ATOM 995 CA LYS A 127 69.892 19.466 -5.504 1.00 0.00 C ATOM 996 C LYS A 127 69.540 18.981 -4.094 1.00 0.00 C ATOM 997 O LYS A 127 70.044 19.516 -3.107 1.00 0.00 O ATOM 998 CB LYS A 127 69.105 20.729 -5.820 1.00 0.00 C ATOM 999 CG LYS A 127 67.620 20.406 -5.778 1.00 0.00 C ATOM 1000 CD LYS A 127 66.944 21.066 -6.973 1.00 0.00 C ATOM 1001 CE LYS A 127 66.857 22.573 -6.743 1.00 0.00 C ATOM 1002 NZ LYS A 127 66.117 23.208 -7.868 1.00 0.00 N ATOM 0 H LYS A 127 68.777 18.599 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 127 70.961 19.676 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 127 69.341 21.511 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 127 69.381 21.109 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 127 67.467 19.327 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 127 67.181 20.767 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 127 67.507 20.859 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 127 65.946 20.651 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 127 66.351 22.778 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 127 67.858 22.998 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 66.059 24.234 -7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 66.617 23.023 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 65.157 22.811 -7.920 1.00 0.00 H new ATOM 1016 N ASP A 128 68.662 17.984 -3.998 1.00 0.00 N ATOM 1017 CA ASP A 128 68.247 17.468 -2.690 1.00 0.00 C ATOM 1018 C ASP A 128 68.753 16.045 -2.465 1.00 0.00 C ATOM 1019 O ASP A 128 68.205 15.305 -1.647 1.00 0.00 O ATOM 1020 CB ASP A 128 66.720 17.484 -2.582 1.00 0.00 C ATOM 1021 CG ASP A 128 66.281 18.148 -1.278 1.00 0.00 C ATOM 1022 OD1 ASP A 128 67.017 18.060 -0.309 1.00 0.00 O ATOM 1023 OD2 ASP A 128 65.210 18.732 -1.268 1.00 0.00 O ATOM 0 H ASP A 128 68.228 17.521 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 128 68.681 18.113 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 128 66.295 18.020 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.336 16.465 -2.625 1.00 0.00 H new ATOM 1028 N ILE A 129 69.802 15.666 -3.180 1.00 0.00 N ATOM 1029 CA ILE A 129 70.376 14.332 -3.031 1.00 0.00 C ATOM 1030 C ILE A 129 70.980 14.169 -1.644 1.00 0.00 C ATOM 1031 O ILE A 129 70.742 15.003 -0.768 1.00 0.00 O ATOM 1032 CB ILE A 129 71.453 14.099 -4.086 1.00 0.00 C ATOM 1033 CG1 ILE A 129 72.531 15.181 -3.950 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.821 14.149 -5.473 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.708 14.869 -4.876 1.00 0.00 C ATOM 0 H ILE A 129 70.272 16.257 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 129 69.580 13.599 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 129 71.911 13.120 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 129 72.112 16.156 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.875 15.235 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.589 13.983 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 129 70.059 13.374 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 129 70.363 15.126 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 129 74.468 15.643 -4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 129 74.135 13.903 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 129 73.360 14.838 -5.909 1.00 0.00 H new ATOM 1047 N VAL A 130 71.748 13.087 -1.461 1.00 0.00 N ATOM 1048 CA VAL A 130 72.395 12.794 -0.183 1.00 0.00 C ATOM 1049 C VAL A 130 72.852 14.070 0.489 1.00 0.00 C ATOM 1050 O VAL A 130 73.708 14.771 -0.037 1.00 0.00 O ATOM 1051 CB VAL A 130 73.604 11.880 -0.401 1.00 0.00 C ATOM 1052 CG1 VAL A 130 74.257 12.186 -1.755 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.633 12.109 0.713 1.00 0.00 C ATOM 0 H VAL A 130 71.935 12.398 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 130 71.669 12.294 0.457 1.00 0.00 H new ATOM 0 HB VAL A 130 73.267 10.843 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 130 75.116 11.531 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 130 73.534 12.020 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 130 74.586 13.225 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.492 11.457 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 130 74.959 13.149 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.180 11.884 1.679 1.00 0.00 H new ATOM 1063 N GLU A 131 72.243 14.346 1.639 1.00 0.00 N ATOM 1064 CA GLU A 131 72.524 15.542 2.430 1.00 0.00 C ATOM 1065 C GLU A 131 71.421 15.758 3.447 1.00 0.00 C ATOM 1066 O GLU A 131 71.646 16.306 4.525 1.00 0.00 O ATOM 1067 CB GLU A 131 72.552 16.776 1.537 1.00 0.00 C ATOM 1068 CG GLU A 131 73.999 17.202 1.297 1.00 0.00 C ATOM 1069 CD GLU A 131 74.095 18.031 0.019 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.106 18.648 -0.338 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.155 18.033 -0.585 1.00 0.00 O ATOM 0 H GLU A 131 71.534 13.741 2.052 1.00 0.00 H new ATOM 0 HA GLU A 131 73.488 15.399 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.063 16.561 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 131 71.996 17.588 2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.361 17.783 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.637 16.322 1.218 1.00 0.00 H new ATOM 1078 N ASN A 132 70.215 15.356 3.072 1.00 0.00 N ATOM 1079 CA ASN A 132 69.069 15.543 3.936 1.00 0.00 C ATOM 1080 C ASN A 132 68.933 14.385 4.919 1.00 0.00 C ATOM 1081 O ASN A 132 67.924 13.681 4.931 1.00 0.00 O ATOM 1082 CB ASN A 132 67.808 15.665 3.083 1.00 0.00 C ATOM 1083 CG ASN A 132 68.069 16.637 1.939 1.00 0.00 C ATOM 1084 OD1 ASN A 132 67.882 17.845 2.092 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.516 16.181 0.801 1.00 0.00 N ATOM 0 H ASN A 132 70.010 14.902 2.182 1.00 0.00 H new ATOM 0 HA ASN A 132 69.208 16.457 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.525 14.689 2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 132 66.975 16.017 3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.712 16.825 0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.670 15.180 0.678 1.00 0.00 H new ATOM 1092 N TYR A 133 69.963 14.199 5.740 1.00 0.00 N ATOM 1093 CA TYR A 133 69.972 13.135 6.725 1.00 0.00 C ATOM 1094 C TYR A 133 69.404 13.625 8.054 1.00 0.00 C ATOM 1095 O TYR A 133 69.884 13.243 9.120 1.00 0.00 O ATOM 1096 CB TYR A 133 71.403 12.629 6.933 1.00 0.00 C ATOM 1097 CG TYR A 133 72.348 13.775 7.205 1.00 0.00 C ATOM 1098 CD1 TYR A 133 72.495 14.256 8.505 1.00 0.00 C ATOM 1099 CD2 TYR A 133 73.085 14.347 6.160 1.00 0.00 C ATOM 1100 CE1 TYR A 133 73.375 15.310 8.770 1.00 0.00 C ATOM 1101 CE2 TYR A 133 73.966 15.403 6.422 1.00 0.00 C ATOM 1102 CZ TYR A 133 74.112 15.885 7.727 1.00 0.00 C ATOM 1103 OH TYR A 133 74.981 16.924 7.987 1.00 0.00 O ATOM 0 H TYR A 133 70.803 14.777 5.738 1.00 0.00 H new ATOM 0 HA TYR A 133 69.348 12.321 6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 133 71.427 11.928 7.767 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.732 12.084 6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.927 13.813 9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.974 13.974 5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 133 73.486 15.680 9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 133 74.533 15.846 5.616 1.00 0.00 H new ATOM 0 HH TYR A 133 75.413 17.205 7.154 1.00 0.00 H new ATOM 1113 N PHE A 134 68.388 14.479 7.989 1.00 0.00 N ATOM 1114 CA PHE A 134 67.786 15.016 9.206 1.00 0.00 C ATOM 1115 C PHE A 134 67.256 13.881 10.078 1.00 0.00 C ATOM 1116 O PHE A 134 67.527 13.832 11.277 1.00 0.00 O ATOM 1117 CB PHE A 134 66.649 15.980 8.852 1.00 0.00 C ATOM 1118 CG PHE A 134 66.049 16.548 10.113 1.00 0.00 C ATOM 1119 CD1 PHE A 134 66.691 17.599 10.761 1.00 0.00 C ATOM 1120 CD2 PHE A 134 64.855 16.031 10.628 1.00 0.00 C ATOM 1121 CE1 PHE A 134 66.146 18.145 11.931 1.00 0.00 C ATOM 1122 CE2 PHE A 134 64.306 16.573 11.797 1.00 0.00 C ATOM 1123 CZ PHE A 134 64.952 17.631 12.448 1.00 0.00 C ATOM 0 H PHE A 134 67.968 14.811 7.121 1.00 0.00 H new ATOM 0 HA PHE A 134 68.550 15.560 9.762 1.00 0.00 H new ATOM 0 HB2 PHE A 134 67.026 16.786 8.223 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.884 15.459 8.277 1.00 0.00 H new ATOM 0 HD1 PHE A 134 67.613 17.995 10.361 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.357 15.215 10.125 1.00 0.00 H new ATOM 0 HE1 PHE A 134 66.646 18.960 12.432 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.385 16.175 12.196 1.00 0.00 H new ATOM 0 HZ PHE A 134 64.529 18.050 13.349 1.00 0.00 H new ATOM 1133 N MET A 135 66.509 12.965 9.469 1.00 0.00 N ATOM 1134 CA MET A 135 65.960 11.830 10.202 1.00 0.00 C ATOM 1135 C MET A 135 66.975 10.698 10.297 1.00 0.00 C ATOM 1136 O MET A 135 67.683 10.398 9.337 1.00 0.00 O ATOM 1137 CB MET A 135 64.695 11.322 9.511 1.00 0.00 C ATOM 1138 CG MET A 135 63.499 12.195 9.896 1.00 0.00 C ATOM 1139 SD MET A 135 63.090 11.927 11.641 1.00 0.00 S ATOM 1140 CE MET A 135 63.597 13.551 12.255 1.00 0.00 C ATOM 0 H MET A 135 66.271 12.986 8.477 1.00 0.00 H new ATOM 0 HA MET A 135 65.717 12.166 11.210 1.00 0.00 H new ATOM 0 HB2 MET A 135 64.832 11.335 8.430 1.00 0.00 H new ATOM 0 HB3 MET A 135 64.506 10.287 9.796 1.00 0.00 H new ATOM 0 HG2 MET A 135 63.732 13.246 9.724 1.00 0.00 H new ATOM 0 HG3 MET A 135 62.641 11.952 9.269 1.00 0.00 H new ATOM 0 HE1 MET A 135 63.444 13.596 13.333 1.00 0.00 H new ATOM 0 HE2 MET A 135 64.652 13.712 12.031 1.00 0.00 H new ATOM 0 HE3 MET A 135 63.002 14.325 11.771 1.00 0.00 H new ATOM 1150 N ARG A 136 67.032 10.072 11.467 1.00 0.00 N ATOM 1151 CA ARG A 136 67.951 8.968 11.693 1.00 0.00 C ATOM 1152 C ARG A 136 67.357 7.973 12.682 1.00 0.00 C ATOM 1153 O ARG A 136 68.015 7.566 13.641 1.00 0.00 O ATOM 1154 CB ARG A 136 69.276 9.498 12.230 1.00 0.00 C ATOM 1155 CG ARG A 136 70.003 10.255 11.121 1.00 0.00 C ATOM 1156 CD ARG A 136 71.441 10.526 11.551 1.00 0.00 C ATOM 1157 NE ARG A 136 71.463 11.387 12.733 1.00 0.00 N ATOM 1158 CZ ARG A 136 71.394 12.717 12.640 1.00 0.00 C ATOM 1159 NH1 ARG A 136 71.273 13.308 11.478 1.00 0.00 N ATOM 1160 NH2 ARG A 136 71.447 13.442 13.723 1.00 0.00 N ATOM 0 H ARG A 136 66.453 10.311 12.272 1.00 0.00 H new ATOM 0 HA ARG A 136 68.122 8.459 10.744 1.00 0.00 H new ATOM 0 HB2 ARG A 136 69.100 10.157 13.080 1.00 0.00 H new ATOM 0 HB3 ARG A 136 69.893 8.673 12.588 1.00 0.00 H new ATOM 0 HG2 ARG A 136 69.991 9.673 10.200 1.00 0.00 H new ATOM 0 HG3 ARG A 136 69.491 11.194 10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.946 9.585 11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.988 11.001 10.737 1.00 0.00 H new ATOM 0 HE ARG A 136 71.533 10.959 13.656 1.00 0.00 H new ATOM 0 HH11 ARG A 136 71.230 12.751 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 136 71.222 14.325 11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 136 71.541 12.992 14.634 1.00 0.00 H new ATOM 0 HH22 ARG A 136 71.395 14.459 13.659 1.00 0.00 H new ATOM 1174 N ASP A 137 66.109 7.587 12.448 1.00 0.00 N ATOM 1175 CA ASP A 137 65.436 6.641 13.331 1.00 0.00 C ATOM 1176 C ASP A 137 65.610 5.214 12.819 1.00 0.00 C ATOM 1177 O ASP A 137 65.906 5.001 11.643 1.00 0.00 O ATOM 1178 CB ASP A 137 63.951 6.980 13.426 1.00 0.00 C ATOM 1179 CG ASP A 137 63.765 8.493 13.496 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.628 9.102 12.448 1.00 0.00 O ATOM 1181 OD2 ASP A 137 63.768 9.020 14.596 1.00 0.00 O ATOM 0 H ASP A 137 65.546 7.911 11.662 1.00 0.00 H new ATOM 0 HA ASP A 137 65.884 6.714 14.322 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.422 6.580 12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.518 6.511 14.309 1.00 0.00 H new ATOM 1186 N SER A 138 65.434 4.240 13.707 1.00 0.00 N ATOM 1187 CA SER A 138 65.584 2.841 13.327 1.00 0.00 C ATOM 1188 C SER A 138 64.910 1.924 14.344 1.00 0.00 C ATOM 1189 O SER A 138 64.284 0.931 13.979 1.00 0.00 O ATOM 1190 CB SER A 138 67.065 2.503 13.215 1.00 0.00 C ATOM 1191 OG SER A 138 67.729 2.862 14.420 1.00 0.00 O ATOM 0 H SER A 138 65.190 4.392 14.686 1.00 0.00 H new ATOM 0 HA SER A 138 65.101 2.686 12.362 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.192 1.438 13.022 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.507 3.035 12.372 1.00 0.00 H new ATOM 0 HG SER A 138 68.658 3.103 14.222 1.00 0.00 H new ATOM 1197 N GLY A 139 65.039 2.269 15.620 1.00 0.00 N ATOM 1198 CA GLY A 139 64.432 1.476 16.682 1.00 0.00 C ATOM 1199 C GLY A 139 65.283 0.255 17.025 1.00 0.00 C ATOM 1200 O GLY A 139 64.968 -0.486 17.954 1.00 0.00 O ATOM 0 H GLY A 139 65.555 3.087 15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 139 64.305 2.093 17.571 1.00 0.00 H new ATOM 0 HA3 GLY A 139 63.438 1.153 16.373 1.00 0.00 H new ATOM 1204 N SER A 140 66.367 0.053 16.279 1.00 0.00 N ATOM 1205 CA SER A 140 67.251 -1.077 16.529 1.00 0.00 C ATOM 1206 C SER A 140 68.570 -0.611 17.148 1.00 0.00 C ATOM 1207 O SER A 140 69.480 -1.413 17.353 1.00 0.00 O ATOM 1208 CB SER A 140 67.524 -1.822 15.221 1.00 0.00 C ATOM 1209 OG SER A 140 68.167 -0.949 14.304 1.00 0.00 O ATOM 0 H SER A 140 66.650 0.652 15.504 1.00 0.00 H new ATOM 0 HA SER A 140 66.760 -1.749 17.233 1.00 0.00 H new ATOM 0 HB2 SER A 140 68.151 -2.693 15.410 1.00 0.00 H new ATOM 0 HB3 SER A 140 66.589 -2.188 14.797 1.00 0.00 H new ATOM 0 HG SER A 140 68.344 -1.427 13.467 1.00 0.00 H new ATOM 1215 N LYS A 141 68.673 0.687 17.439 1.00 0.00 N ATOM 1216 CA LYS A 141 69.891 1.234 18.025 1.00 0.00 C ATOM 1217 C LYS A 141 70.135 0.647 19.410 1.00 0.00 C ATOM 1218 O LYS A 141 69.243 0.635 20.260 1.00 0.00 O ATOM 1219 CB LYS A 141 69.779 2.759 18.120 1.00 0.00 C ATOM 1220 CG LYS A 141 71.058 3.351 18.729 1.00 0.00 C ATOM 1221 CD LYS A 141 72.249 3.105 17.798 1.00 0.00 C ATOM 1222 CE LYS A 141 73.482 3.820 18.351 1.00 0.00 C ATOM 1223 NZ LYS A 141 74.646 3.573 17.454 1.00 0.00 N ATOM 0 H LYS A 141 67.933 1.371 17.279 1.00 0.00 H new ATOM 0 HA LYS A 141 70.733 0.970 17.385 1.00 0.00 H new ATOM 0 HB2 LYS A 141 69.611 3.180 17.129 1.00 0.00 H new ATOM 0 HB3 LYS A 141 68.918 3.030 18.731 1.00 0.00 H new ATOM 0 HG2 LYS A 141 70.930 4.421 18.893 1.00 0.00 H new ATOM 0 HG3 LYS A 141 71.249 2.900 19.703 1.00 0.00 H new ATOM 0 HD2 LYS A 141 72.443 2.036 17.712 1.00 0.00 H new ATOM 0 HD3 LYS A 141 72.023 3.469 16.796 1.00 0.00 H new ATOM 0 HE2 LYS A 141 73.290 4.890 18.429 1.00 0.00 H new ATOM 0 HE3 LYS A 141 73.702 3.462 19.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 75.484 4.060 17.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 74.833 2.551 17.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 74.434 3.935 16.502 1.00 0.00 H new ATOM 1237 N ALA A 142 71.354 0.170 19.632 1.00 0.00 N ATOM 1238 CA ALA A 142 71.718 -0.410 20.918 1.00 0.00 C ATOM 1239 C ALA A 142 71.728 0.663 22.001 1.00 0.00 C ATOM 1240 O ALA A 142 72.087 1.813 21.744 1.00 0.00 O ATOM 1241 CB ALA A 142 73.101 -1.058 20.826 1.00 0.00 C ATOM 0 H ALA A 142 72.104 0.173 18.941 1.00 0.00 H new ATOM 0 HA ALA A 142 70.979 -1.168 21.178 1.00 0.00 H new ATOM 0 HB1 ALA A 142 73.366 -1.489 21.791 1.00 0.00 H new ATOM 0 HB2 ALA A 142 73.085 -1.843 20.070 1.00 0.00 H new ATOM 0 HB3 ALA A 142 73.839 -0.304 20.551 1.00 0.00 H new ATOM 1247 N ALA A 143 71.335 0.283 23.210 1.00 0.00 N ATOM 1248 CA ALA A 143 71.305 1.225 24.321 1.00 0.00 C ATOM 1249 C ALA A 143 71.695 0.530 25.620 1.00 0.00 C ATOM 1250 O ALA A 143 71.442 -0.663 25.797 1.00 0.00 O ATOM 1251 CB ALA A 143 69.905 1.824 24.459 1.00 0.00 C ATOM 0 H ALA A 143 71.035 -0.663 23.445 1.00 0.00 H new ATOM 0 HA ALA A 143 72.021 2.022 24.119 1.00 0.00 H new ATOM 0 HB1 ALA A 143 69.891 2.527 25.292 1.00 0.00 H new ATOM 0 HB2 ALA A 143 69.640 2.345 23.539 1.00 0.00 H new ATOM 0 HB3 ALA A 143 69.185 1.027 24.645 1.00 0.00 H new ATOM 1257 N THR A 144 72.315 1.280 26.523 1.00 0.00 N ATOM 1258 CA THR A 144 72.739 0.722 27.799 1.00 0.00 C ATOM 1259 C THR A 144 72.290 1.613 28.952 1.00 0.00 C ATOM 1260 O THR A 144 71.986 2.791 28.758 1.00 0.00 O ATOM 1261 CB THR A 144 74.263 0.582 27.823 1.00 0.00 C ATOM 1262 OG1 THR A 144 74.857 1.867 27.700 1.00 0.00 O ATOM 1263 CG2 THR A 144 74.712 -0.304 26.659 1.00 0.00 C ATOM 0 H THR A 144 72.534 2.268 26.396 1.00 0.00 H new ATOM 0 HA THR A 144 72.280 -0.260 27.916 1.00 0.00 H new ATOM 0 HB THR A 144 74.573 0.128 28.764 1.00 0.00 H new ATOM 0 HG1 THR A 144 75.833 1.779 27.717 1.00 0.00 H new ATOM 0 HG21 THR A 144 75.797 -0.404 26.676 1.00 0.00 H new ATOM 0 HG22 THR A 144 74.255 -1.289 26.754 1.00 0.00 H new ATOM 0 HG23 THR A 144 74.404 0.149 25.717 1.00 0.00 H new ATOM 1271 N ASP A 145 72.251 1.042 30.151 1.00 0.00 N ATOM 1272 CA ASP A 145 71.838 1.791 31.330 1.00 0.00 C ATOM 1273 C ASP A 145 73.056 2.252 32.124 1.00 0.00 C ATOM 1274 O ASP A 145 73.552 1.470 32.918 1.00 0.00 O ATOM 1275 CB ASP A 145 70.948 0.920 32.217 1.00 0.00 C ATOM 1276 CG ASP A 145 70.837 1.534 33.607 1.00 0.00 C ATOM 1277 OD1 ASP A 145 70.189 2.560 33.730 1.00 0.00 O ATOM 1278 OD2 ASP A 145 71.402 0.970 34.529 1.00 0.00 O ATOM 1279 OXT ASP A 145 73.475 3.381 31.926 1.00 0.00 O ATOM 0 H ASP A 145 72.499 0.069 30.331 1.00 0.00 H new ATOM 0 HA ASP A 145 71.278 2.667 31.004 1.00 0.00 H new ATOM 0 HB2 ASP A 145 69.957 0.826 31.772 1.00 0.00 H new ATOM 0 HB3 ASP A 145 71.363 -0.086 32.287 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 61.976 8.086 -6.050 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.580 0.758 1.056 1.00 0.00 ZN