USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 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= -0.129 X(o=-0.13,f=-0.6) USER MOD Single : A 86 SER OG : rot 140:sc= -0.0989 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1.1) 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= -0.186 USER MOD Single : A 121 LYS NZ :NH3+ -157:sc= 0.604 (180deg=0.328) USER MOD Single : A 122 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.9!) USER MOD Single : A 123 GLN : amide:sc= -3.94 K(o=-3.9,f=-10!) USER MOD Single : A 124 CYS SG : rot -121:sc= -1.08! USER MOD Single : A 126 SER OG : rot -135:sc= 1.13 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -1.93 K(o=-1.9,f=-9.8!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 133:sc= -0.0754 (180deg=-0.802) USER MOD Single : A 138 SER OG : rot -73:sc= -0.223 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -161:sc= -0.0279 (180deg=-0.476) USER MOD Single : A 144 THR OG1 : rot 29:sc= 0.59 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 62.155 -0.855 20.644 1.00 0.00 N ATOM 2 CA GLY A 54 62.693 -0.992 19.298 1.00 0.00 C ATOM 3 C GLY A 54 61.730 -0.426 18.261 1.00 0.00 C ATOM 4 O GLY A 54 60.620 -0.008 18.590 1.00 0.00 O ATOM 0 HA2 GLY A 54 63.650 -0.474 19.231 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.884 -2.044 19.085 1.00 0.00 H new ATOM 8 N GLY A 55 62.167 -0.416 17.007 1.00 0.00 N ATOM 9 CA GLY A 55 61.343 0.100 15.922 1.00 0.00 C ATOM 10 C GLY A 55 61.809 1.484 15.498 1.00 0.00 C ATOM 11 O GLY A 55 61.797 2.427 16.291 1.00 0.00 O ATOM 0 H GLY A 55 63.083 -0.758 16.718 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.388 -0.580 15.071 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.301 0.144 16.240 1.00 0.00 H new ATOM 15 N ALA A 56 62.214 1.601 14.241 1.00 0.00 N ATOM 16 CA ALA A 56 62.676 2.876 13.715 1.00 0.00 C ATOM 17 C ALA A 56 61.508 3.852 13.597 1.00 0.00 C ATOM 18 O ALA A 56 60.385 3.459 13.282 1.00 0.00 O ATOM 19 CB ALA A 56 63.342 2.664 12.348 1.00 0.00 C ATOM 0 H ALA A 56 62.232 0.833 13.570 1.00 0.00 H new ATOM 0 HA ALA A 56 63.410 3.300 14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.686 3.622 11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.192 1.990 12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.621 2.229 11.656 1.00 0.00 H new ATOM 25 N GLU A 57 61.784 5.128 13.853 1.00 0.00 N ATOM 26 CA GLU A 57 60.756 6.170 13.777 1.00 0.00 C ATOM 27 C GLU A 57 60.649 6.733 12.361 1.00 0.00 C ATOM 28 O GLU A 57 60.167 7.849 12.144 1.00 0.00 O ATOM 29 CB GLU A 57 61.084 7.298 14.743 1.00 0.00 C ATOM 30 CG GLU A 57 61.101 6.762 16.177 1.00 0.00 C ATOM 31 CD GLU A 57 59.694 6.348 16.594 1.00 0.00 C ATOM 32 OE1 GLU A 57 58.754 6.776 15.943 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.574 5.611 17.560 1.00 0.00 O ATOM 0 H GLU A 57 62.709 5.468 14.115 1.00 0.00 H new ATOM 0 HA GLU A 57 59.801 5.720 14.048 1.00 0.00 H new ATOM 0 HB2 GLU A 57 62.053 7.731 14.495 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.346 8.094 14.651 1.00 0.00 H new ATOM 0 HG2 GLU A 57 61.776 5.909 16.248 1.00 0.00 H new ATOM 0 HG3 GLU A 57 61.481 7.526 16.855 1.00 0.00 H new ATOM 40 N ALA A 58 61.103 5.945 11.404 1.00 0.00 N ATOM 41 CA ALA A 58 61.075 6.335 10.007 1.00 0.00 C ATOM 42 C ALA A 58 59.660 6.562 9.515 1.00 0.00 C ATOM 43 O ALA A 58 59.449 7.123 8.447 1.00 0.00 O ATOM 44 CB ALA A 58 61.794 5.297 9.153 1.00 0.00 C ATOM 0 H ALA A 58 61.500 5.021 11.572 1.00 0.00 H new ATOM 0 HA ALA A 58 61.601 7.285 9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.765 5.603 8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.831 5.214 9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.301 4.331 9.262 1.00 0.00 H new ATOM 50 N LEU A 59 58.697 6.142 10.310 1.00 0.00 N ATOM 51 CA LEU A 59 57.297 6.313 9.971 1.00 0.00 C ATOM 52 C LEU A 59 57.003 7.749 9.553 1.00 0.00 C ATOM 53 O LEU A 59 56.025 8.011 8.852 1.00 0.00 O ATOM 54 CB LEU A 59 56.469 5.976 11.195 1.00 0.00 C ATOM 55 CG LEU A 59 56.477 4.467 11.401 1.00 0.00 C ATOM 56 CD1 LEU A 59 56.035 4.164 12.827 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.498 3.800 10.424 1.00 0.00 C ATOM 0 H LEU A 59 58.859 5.676 11.203 1.00 0.00 H new ATOM 0 HA LEU A 59 57.051 5.657 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.875 6.478 12.073 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.447 6.333 11.068 1.00 0.00 H new ATOM 0 HG LEU A 59 57.481 4.082 11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.037 3.086 12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.722 4.636 13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 59 55.029 4.553 12.987 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.509 2.721 10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.492 4.181 10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.797 4.024 9.400 1.00 0.00 H new ATOM 69 N GLU A 60 57.844 8.678 9.988 1.00 0.00 N ATOM 70 CA GLU A 60 57.644 10.076 9.648 1.00 0.00 C ATOM 71 C GLU A 60 57.668 10.267 8.138 1.00 0.00 C ATOM 72 O GLU A 60 56.848 10.997 7.579 1.00 0.00 O ATOM 73 CB GLU A 60 58.750 10.924 10.281 1.00 0.00 C ATOM 74 CG GLU A 60 58.604 10.898 11.801 1.00 0.00 C ATOM 75 CD GLU A 60 57.357 11.669 12.219 1.00 0.00 C ATOM 76 OE1 GLU A 60 56.854 12.428 11.407 1.00 0.00 O ATOM 77 OE2 GLU A 60 56.924 11.489 13.345 1.00 0.00 O ATOM 0 H GLU A 60 58.661 8.490 10.570 1.00 0.00 H new ATOM 0 HA GLU A 60 56.673 10.390 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.728 10.539 9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.690 11.950 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 60 58.539 9.868 12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 60 59.486 11.337 12.267 1.00 0.00 H new ATOM 84 N LEU A 61 58.609 9.607 7.489 1.00 0.00 N ATOM 85 CA LEU A 61 58.734 9.704 6.036 1.00 0.00 C ATOM 86 C LEU A 61 58.195 8.452 5.338 1.00 0.00 C ATOM 87 O LEU A 61 57.539 8.550 4.303 1.00 0.00 O ATOM 88 CB LEU A 61 60.197 9.906 5.662 1.00 0.00 C ATOM 89 CG LEU A 61 60.723 11.201 6.284 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.215 11.331 5.995 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.983 12.408 5.694 1.00 0.00 C ATOM 0 H LEU A 61 59.297 9.000 7.936 1.00 0.00 H new ATOM 0 HA LEU A 61 58.141 10.556 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.790 9.060 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.301 9.945 4.578 1.00 0.00 H new ATOM 0 HG LEU A 61 60.556 11.173 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.592 12.253 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.744 10.480 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.376 11.353 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.365 13.324 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 61 60.140 12.440 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.917 12.319 5.903 1.00 0.00 H new ATOM 103 N LEU A 62 58.477 7.285 5.918 1.00 0.00 N ATOM 104 CA LEU A 62 58.031 6.014 5.374 1.00 0.00 C ATOM 105 C LEU A 62 58.260 4.916 6.406 1.00 0.00 C ATOM 106 O LEU A 62 57.362 4.612 7.186 1.00 0.00 O ATOM 107 CB LEU A 62 58.772 5.710 4.066 1.00 0.00 C ATOM 108 CG LEU A 62 57.813 5.911 2.901 1.00 0.00 C ATOM 109 CD1 LEU A 62 58.592 6.374 1.669 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.111 4.587 2.596 1.00 0.00 C ATOM 0 H LEU A 62 59.021 7.200 6.777 1.00 0.00 H new ATOM 0 HA LEU A 62 56.966 6.063 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.636 6.366 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.147 4.687 4.074 1.00 0.00 H new ATOM 0 HG LEU A 62 57.073 6.667 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 62 57.904 6.517 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.096 7.315 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.332 5.620 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.422 4.724 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 62 57.854 3.834 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.556 4.259 3.475 1.00 0.00 H new ATOM 122 N GLU A 63 59.467 4.348 6.403 1.00 0.00 N ATOM 123 CA GLU A 63 59.858 3.291 7.331 1.00 0.00 C ATOM 124 C GLU A 63 61.160 2.627 6.884 1.00 0.00 C ATOM 125 O GLU A 63 62.228 2.904 7.428 1.00 0.00 O ATOM 126 CB GLU A 63 58.769 2.243 7.416 1.00 0.00 C ATOM 127 CG GLU A 63 58.076 2.340 8.770 1.00 0.00 C ATOM 128 CD GLU A 63 57.674 0.946 9.243 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.223 0.169 8.417 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.825 0.676 10.422 1.00 0.00 O ATOM 0 H GLU A 63 60.205 4.612 5.750 1.00 0.00 H new ATOM 0 HA GLU A 63 60.010 3.744 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.046 2.389 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.195 1.249 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.742 2.804 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.195 2.977 8.694 1.00 0.00 H new ATOM 137 N HIS A 64 61.060 1.742 5.895 1.00 0.00 N ATOM 138 CA HIS A 64 62.226 1.039 5.386 1.00 0.00 C ATOM 139 C HIS A 64 62.617 1.579 4.021 1.00 0.00 C ATOM 140 O HIS A 64 61.844 2.276 3.362 1.00 0.00 O ATOM 141 CB HIS A 64 61.932 -0.457 5.269 1.00 0.00 C ATOM 142 CG HIS A 64 60.652 -0.660 4.525 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.449 -0.801 5.187 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.363 -0.754 3.188 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.498 -0.973 4.263 1.00 0.00 C ATOM 146 NE2 HIS A 64 58.997 -0.953 3.023 1.00 0.00 N ATOM 0 H HIS A 64 60.184 1.498 5.434 1.00 0.00 H new ATOM 0 HA HIS A 64 63.049 1.194 6.084 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.749 -0.959 4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 64 61.862 -0.903 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.084 -0.684 2.387 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.452 -1.112 4.491 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.487 -1.060 2.146 1.00 0.00 H new ATOM 154 N CYS A 65 63.827 1.245 3.611 1.00 0.00 N ATOM 155 CA CYS A 65 64.354 1.680 2.327 1.00 0.00 C ATOM 156 C CYS A 65 63.834 0.795 1.198 1.00 0.00 C ATOM 157 O CYS A 65 63.780 -0.414 1.337 1.00 0.00 O ATOM 158 CB CYS A 65 65.870 1.615 2.373 1.00 0.00 C ATOM 159 SG CYS A 65 66.530 1.879 0.711 1.00 0.00 S ATOM 0 H CYS A 65 64.470 0.668 4.154 1.00 0.00 H new ATOM 0 HA CYS A 65 64.026 2.702 2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.257 2.372 3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.193 0.646 2.755 1.00 0.00 H new ATOM 164 N GLY A 66 63.447 1.411 0.087 1.00 0.00 N ATOM 165 CA GLY A 66 62.927 0.670 -1.065 1.00 0.00 C ATOM 166 C GLY A 66 63.993 -0.203 -1.741 1.00 0.00 C ATOM 167 O GLY A 66 63.688 -1.279 -2.256 1.00 0.00 O ATOM 0 H GLY A 66 63.482 2.422 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.099 0.039 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.526 1.375 -1.793 1.00 0.00 H new ATOM 171 N VAL A 67 65.229 0.289 -1.783 1.00 0.00 N ATOM 172 CA VAL A 67 66.320 -0.425 -2.449 1.00 0.00 C ATOM 173 C VAL A 67 66.575 -1.811 -1.857 1.00 0.00 C ATOM 174 O VAL A 67 66.854 -2.760 -2.590 1.00 0.00 O ATOM 175 CB VAL A 67 67.601 0.407 -2.347 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.788 -0.423 -2.841 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.469 1.691 -3.190 1.00 0.00 C ATOM 0 H VAL A 67 65.502 1.178 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 67 66.024 -0.567 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 67 67.764 0.688 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.701 0.168 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 67 68.886 -1.318 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.624 -0.711 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.386 2.275 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.298 1.425 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.629 2.282 -2.824 1.00 0.00 H new ATOM 187 N CYS A 68 66.504 -1.925 -0.539 1.00 0.00 N ATOM 188 CA CYS A 68 66.755 -3.203 0.125 1.00 0.00 C ATOM 189 C CYS A 68 65.494 -3.729 0.798 1.00 0.00 C ATOM 190 O CYS A 68 65.387 -4.918 1.100 1.00 0.00 O ATOM 191 CB CYS A 68 67.865 -3.026 1.161 1.00 0.00 C ATOM 192 SG CYS A 68 67.530 -1.552 2.161 1.00 0.00 S ATOM 0 H CYS A 68 66.277 -1.156 0.091 1.00 0.00 H new ATOM 0 HA CYS A 68 67.064 -3.930 -0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 68 67.924 -3.907 1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 68 68.830 -2.929 0.663 1.00 0.00 H new ATOM 197 N ARG A 69 64.538 -2.840 1.010 1.00 0.00 N ATOM 198 CA ARG A 69 63.275 -3.209 1.629 1.00 0.00 C ATOM 199 C ARG A 69 63.495 -3.679 3.058 1.00 0.00 C ATOM 200 O ARG A 69 62.843 -4.608 3.534 1.00 0.00 O ATOM 201 CB ARG A 69 62.598 -4.306 0.807 1.00 0.00 C ATOM 202 CG ARG A 69 62.701 -3.967 -0.693 1.00 0.00 C ATOM 203 CD ARG A 69 63.667 -4.930 -1.392 1.00 0.00 C ATOM 204 NE ARG A 69 63.192 -5.237 -2.740 1.00 0.00 N ATOM 205 CZ ARG A 69 63.924 -5.955 -3.599 1.00 0.00 C ATOM 206 NH1 ARG A 69 65.101 -6.413 -3.258 1.00 0.00 N ATOM 207 NH2 ARG A 69 63.459 -6.206 -4.793 1.00 0.00 N ATOM 0 H ARG A 69 64.613 -1.854 0.762 1.00 0.00 H new ATOM 0 HA ARG A 69 62.628 -2.332 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.071 -5.268 1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.552 -4.399 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 69 61.716 -4.030 -1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.046 -2.941 -0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 69 64.661 -4.486 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 69 63.757 -5.849 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 69 62.277 -4.894 -3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 69 65.472 -6.224 -2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 69 65.648 -6.959 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 69 62.541 -5.855 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 69 64.013 -6.753 -5.452 1.00 0.00 H new ATOM 221 N GLU A 70 64.416 -3.010 3.737 1.00 0.00 N ATOM 222 CA GLU A 70 64.731 -3.332 5.119 1.00 0.00 C ATOM 223 C GLU A 70 64.638 -2.088 5.969 1.00 0.00 C ATOM 224 O GLU A 70 64.970 -0.987 5.530 1.00 0.00 O ATOM 225 CB GLU A 70 66.133 -3.922 5.214 1.00 0.00 C ATOM 226 CG GLU A 70 66.200 -5.183 4.358 1.00 0.00 C ATOM 227 CD GLU A 70 65.188 -6.209 4.857 1.00 0.00 C ATOM 228 OE1 GLU A 70 64.955 -6.248 6.054 1.00 0.00 O ATOM 229 OE2 GLU A 70 64.661 -6.942 4.036 1.00 0.00 O ATOM 0 H GLU A 70 64.959 -2.238 3.350 1.00 0.00 H new ATOM 0 HA GLU A 70 64.014 -4.068 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 70 66.871 -3.196 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.373 -4.158 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 70 65.996 -4.936 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.205 -5.604 4.395 1.00 0.00 H new ATOM 236 N ARG A 71 64.179 -2.272 7.189 1.00 0.00 N ATOM 237 CA ARG A 71 64.037 -1.162 8.101 1.00 0.00 C ATOM 238 C ARG A 71 65.329 -0.373 8.191 1.00 0.00 C ATOM 239 O ARG A 71 66.420 -0.910 8.000 1.00 0.00 O ATOM 240 CB ARG A 71 63.647 -1.676 9.478 1.00 0.00 C ATOM 241 CG ARG A 71 62.144 -1.943 9.528 1.00 0.00 C ATOM 242 CD ARG A 71 61.709 -2.113 10.984 1.00 0.00 C ATOM 243 NE ARG A 71 62.289 -3.326 11.561 1.00 0.00 N ATOM 244 CZ ARG A 71 61.725 -4.525 11.397 1.00 0.00 C ATOM 245 NH1 ARG A 71 60.630 -4.663 10.692 1.00 0.00 N ATOM 246 NH2 ARG A 71 62.269 -5.574 11.953 1.00 0.00 N ATOM 0 H ARG A 71 63.900 -3.176 7.569 1.00 0.00 H new ATOM 0 HA ARG A 71 63.256 -0.501 7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 71 64.195 -2.591 9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 71 63.921 -0.945 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 71 61.601 -1.117 9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 71 61.903 -2.840 8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 71 62.019 -1.244 11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 71 60.622 -2.162 11.040 1.00 0.00 H new ATOM 0 HE ARG A 71 63.149 -3.254 12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 71 60.196 -3.848 10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 71 60.211 -5.586 10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 71 63.119 -5.474 12.508 1.00 0.00 H new ATOM 0 HH22 ARG A 71 61.844 -6.493 11.832 1.00 0.00 H new ATOM 260 N LEU A 72 65.184 0.911 8.467 1.00 0.00 N ATOM 261 CA LEU A 72 66.326 1.796 8.568 1.00 0.00 C ATOM 262 C LEU A 72 67.024 1.609 9.914 1.00 0.00 C ATOM 263 O LEU A 72 66.532 2.057 10.950 1.00 0.00 O ATOM 264 CB LEU A 72 65.841 3.239 8.407 1.00 0.00 C ATOM 265 CG LEU A 72 65.238 3.434 7.002 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.574 4.819 6.908 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.340 3.321 5.937 1.00 0.00 C ATOM 0 H LEU A 72 64.283 1.363 8.625 1.00 0.00 H new ATOM 0 HA LEU A 72 67.046 1.564 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.095 3.469 9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.671 3.930 8.556 1.00 0.00 H new ATOM 0 HG LEU A 72 64.490 2.660 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.149 4.952 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.782 4.894 7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.319 5.593 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.905 3.460 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.095 4.087 6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.802 2.336 5.995 1.00 0.00 H new ATOM 279 N ARG A 73 68.175 0.937 9.882 1.00 0.00 N ATOM 280 CA ARG A 73 68.950 0.680 11.095 1.00 0.00 C ATOM 281 C ARG A 73 69.743 1.928 11.481 1.00 0.00 C ATOM 282 O ARG A 73 69.834 2.877 10.703 1.00 0.00 O ATOM 283 CB ARG A 73 69.882 -0.511 10.893 1.00 0.00 C ATOM 284 CG ARG A 73 71.250 -0.024 10.471 1.00 0.00 C ATOM 285 CD ARG A 73 71.999 -1.176 9.830 1.00 0.00 C ATOM 286 NE ARG A 73 72.521 -2.074 10.851 1.00 0.00 N ATOM 287 CZ ARG A 73 73.180 -3.188 10.532 1.00 0.00 C ATOM 288 NH1 ARG A 73 73.364 -3.522 9.279 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.656 -3.946 11.480 1.00 0.00 N ATOM 0 H ARG A 73 68.591 0.561 9.030 1.00 0.00 H new ATOM 0 HA ARG A 73 68.264 0.438 11.907 1.00 0.00 H new ATOM 0 HB2 ARG A 73 69.959 -1.085 11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 73 69.474 -1.180 10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 73 71.156 0.804 9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 73 71.800 0.351 11.334 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.334 -1.723 9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 73 72.818 -0.792 9.222 1.00 0.00 H new ATOM 0 HE ARG A 73 72.379 -1.845 11.835 1.00 0.00 H new ATOM 0 HH11 ARG A 73 73.001 -2.927 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 73 73.870 -4.377 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 73 73.523 -3.685 12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 73 74.161 -4.800 11.245 1.00 0.00 H new ATOM 303 N PRO A 74 70.283 1.973 12.667 1.00 0.00 N ATOM 304 CA PRO A 74 71.039 3.170 13.150 1.00 0.00 C ATOM 305 C PRO A 74 72.166 3.586 12.204 1.00 0.00 C ATOM 306 O PRO A 74 72.290 4.758 11.858 1.00 0.00 O ATOM 307 CB PRO A 74 71.595 2.716 14.499 1.00 0.00 C ATOM 308 CG PRO A 74 70.683 1.623 14.945 1.00 0.00 C ATOM 309 CD PRO A 74 70.256 0.899 13.674 1.00 0.00 C ATOM 0 HA PRO A 74 70.402 4.052 13.213 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.621 2.360 14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.608 3.536 15.217 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.191 0.944 15.630 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.820 2.025 15.476 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.939 0.088 13.420 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.263 0.460 13.772 1.00 0.00 H new ATOM 317 N GLU A 75 72.973 2.623 11.779 1.00 0.00 N ATOM 318 CA GLU A 75 74.072 2.910 10.862 1.00 0.00 C ATOM 319 C GLU A 75 73.589 2.975 9.409 1.00 0.00 C ATOM 320 O GLU A 75 74.397 3.131 8.494 1.00 0.00 O ATOM 321 CB GLU A 75 75.185 1.871 11.006 1.00 0.00 C ATOM 322 CG GLU A 75 74.686 0.523 10.513 1.00 0.00 C ATOM 323 CD GLU A 75 75.775 -0.531 10.674 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.819 -0.199 11.211 1.00 0.00 O ATOM 325 OE2 GLU A 75 75.551 -1.655 10.255 1.00 0.00 O ATOM 0 H GLU A 75 72.890 1.643 12.051 1.00 0.00 H new ATOM 0 HA GLU A 75 74.472 3.889 11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 75 76.060 2.178 10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.495 1.797 12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 75 73.799 0.228 11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 75 74.392 0.596 9.466 1.00 0.00 H new ATOM 332 N ARG A 76 72.279 2.827 9.191 1.00 0.00 N ATOM 333 CA ARG A 76 71.737 2.846 7.832 1.00 0.00 C ATOM 334 C ARG A 76 71.949 4.195 7.173 1.00 0.00 C ATOM 335 O ARG A 76 71.980 4.299 5.944 1.00 0.00 O ATOM 336 CB ARG A 76 70.229 2.612 7.879 1.00 0.00 C ATOM 337 CG ARG A 76 69.721 2.174 6.510 1.00 0.00 C ATOM 338 CD ARG A 76 70.100 0.717 6.264 1.00 0.00 C ATOM 339 NE ARG A 76 71.338 0.632 5.498 1.00 0.00 N ATOM 340 CZ ARG A 76 71.837 -0.538 5.093 1.00 0.00 C ATOM 341 NH1 ARG A 76 71.226 -1.662 5.370 1.00 0.00 N ATOM 342 NH2 ARG A 76 72.948 -0.562 4.409 1.00 0.00 N ATOM 0 H ARG A 76 71.585 2.695 9.926 1.00 0.00 H new ATOM 0 HA ARG A 76 72.251 2.068 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 76 69.995 1.850 8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 76 69.721 3.526 8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 76 68.639 2.292 6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.149 2.807 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 76 70.219 0.201 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 76 69.297 0.213 5.726 1.00 0.00 H new ATOM 0 HE ARG A 76 71.837 1.491 5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 76 70.356 -1.652 5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 76 71.620 -2.548 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 76 73.429 0.310 4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 76 73.335 -1.452 4.096 1.00 0.00 H new ATOM 356 N GLU A 77 72.059 5.228 7.989 1.00 0.00 N ATOM 357 CA GLU A 77 72.226 6.569 7.475 1.00 0.00 C ATOM 358 C GLU A 77 71.157 6.851 6.428 1.00 0.00 C ATOM 359 O GLU A 77 71.451 7.003 5.245 1.00 0.00 O ATOM 360 CB GLU A 77 73.620 6.723 6.880 1.00 0.00 C ATOM 361 CG GLU A 77 73.907 8.199 6.624 1.00 0.00 C ATOM 362 CD GLU A 77 75.325 8.364 6.091 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.021 7.365 6.001 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.696 9.483 5.784 1.00 0.00 O ATOM 0 H GLU A 77 72.035 5.161 9.007 1.00 0.00 H new ATOM 0 HA GLU A 77 72.117 7.289 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.365 6.310 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.693 6.161 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.190 8.599 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.787 8.768 7.546 1.00 0.00 H new ATOM 371 N PRO A 78 69.922 6.894 6.855 1.00 0.00 N ATOM 372 CA PRO A 78 68.755 7.138 5.956 1.00 0.00 C ATOM 373 C PRO A 78 68.815 8.503 5.292 1.00 0.00 C ATOM 374 O PRO A 78 69.375 9.455 5.837 1.00 0.00 O ATOM 375 CB PRO A 78 67.538 7.023 6.880 1.00 0.00 C ATOM 376 CG PRO A 78 68.034 6.343 8.107 1.00 0.00 C ATOM 377 CD PRO A 78 69.492 6.727 8.250 1.00 0.00 C ATOM 0 HA PRO A 78 68.726 6.428 5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.129 8.006 7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 78 66.740 6.449 6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.463 6.655 8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.924 5.262 8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 78 69.614 7.646 8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 78 70.066 5.954 8.761 1.00 0.00 H new ATOM 385 N ARG A 79 68.247 8.577 4.103 1.00 0.00 N ATOM 386 CA ARG A 79 68.245 9.811 3.342 1.00 0.00 C ATOM 387 C ARG A 79 67.008 9.911 2.461 1.00 0.00 C ATOM 388 O ARG A 79 66.509 8.908 1.976 1.00 0.00 O ATOM 389 CB ARG A 79 69.488 9.850 2.477 1.00 0.00 C ATOM 390 CG ARG A 79 70.616 10.535 3.246 1.00 0.00 C ATOM 391 CD ARG A 79 71.839 10.664 2.348 1.00 0.00 C ATOM 392 NE ARG A 79 72.678 11.771 2.795 1.00 0.00 N ATOM 393 CZ ARG A 79 73.493 11.658 3.842 1.00 0.00 C ATOM 394 NH1 ARG A 79 73.565 10.539 4.515 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.228 12.674 4.200 1.00 0.00 N ATOM 0 H ARG A 79 67.780 7.795 3.643 1.00 0.00 H new ATOM 0 HA ARG A 79 68.235 10.653 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 79 69.784 8.838 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.284 10.388 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.294 11.520 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.865 9.959 4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.410 9.736 2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 79 71.526 10.828 1.317 1.00 0.00 H new ATOM 0 HE ARG A 79 72.639 12.657 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 79 72.993 9.741 4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 79 74.193 10.465 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.177 13.549 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 79 74.854 12.593 5.001 1.00 0.00 H new ATOM 409 N LEU A 80 66.523 11.130 2.256 1.00 0.00 N ATOM 410 CA LEU A 80 65.336 11.336 1.429 1.00 0.00 C ATOM 411 C LEU A 80 65.694 11.998 0.103 1.00 0.00 C ATOM 412 O LEU A 80 66.119 13.150 0.067 1.00 0.00 O ATOM 413 CB LEU A 80 64.342 12.215 2.184 1.00 0.00 C ATOM 414 CG LEU A 80 63.056 12.351 1.374 1.00 0.00 C ATOM 415 CD1 LEU A 80 61.884 11.869 2.224 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.846 13.820 1.005 1.00 0.00 C ATOM 0 H LEU A 80 66.926 11.982 2.645 1.00 0.00 H new ATOM 0 HA LEU A 80 64.893 10.363 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.124 11.779 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 80 64.775 13.199 2.364 1.00 0.00 H new ATOM 0 HG LEU A 80 63.123 11.754 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 80 60.959 11.962 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 80 62.038 10.825 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 80 61.816 12.475 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.928 13.922 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.770 14.416 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.690 14.170 0.411 1.00 0.00 H new ATOM 428 N LEU A 81 65.504 11.272 -0.991 1.00 0.00 N ATOM 429 CA LEU A 81 65.806 11.814 -2.306 1.00 0.00 C ATOM 430 C LEU A 81 64.867 12.964 -2.650 1.00 0.00 C ATOM 431 O LEU A 81 63.827 13.146 -2.017 1.00 0.00 O ATOM 432 CB LEU A 81 65.656 10.734 -3.374 1.00 0.00 C ATOM 433 CG LEU A 81 67.026 10.329 -3.916 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.871 9.724 -2.793 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.830 9.300 -5.031 1.00 0.00 C ATOM 0 H LEU A 81 65.146 10.317 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 81 66.834 12.177 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.153 9.864 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 81 65.030 11.102 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 81 67.542 11.205 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.847 9.437 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 81 68.001 10.459 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.368 8.844 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.801 9.003 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.317 8.425 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.232 9.738 -5.830 1.00 0.00 H new ATOM 447 N PRO A 82 65.210 13.723 -3.652 1.00 0.00 N ATOM 448 CA PRO A 82 64.383 14.873 -4.124 1.00 0.00 C ATOM 449 C PRO A 82 63.018 14.430 -4.656 1.00 0.00 C ATOM 450 O PRO A 82 62.113 15.248 -4.830 1.00 0.00 O ATOM 451 CB PRO A 82 65.212 15.495 -5.254 1.00 0.00 C ATOM 452 CG PRO A 82 66.583 14.926 -5.129 1.00 0.00 C ATOM 453 CD PRO A 82 66.429 13.570 -4.455 1.00 0.00 C ATOM 0 HA PRO A 82 64.168 15.566 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.781 15.260 -6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.233 16.581 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 82 67.050 14.822 -6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.223 15.582 -4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.330 12.767 -5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.292 13.330 -3.833 1.00 0.00 H new ATOM 461 N CYS A 83 62.874 13.133 -4.910 1.00 0.00 N ATOM 462 CA CYS A 83 61.621 12.594 -5.420 1.00 0.00 C ATOM 463 C CYS A 83 60.719 12.176 -4.271 1.00 0.00 C ATOM 464 O CYS A 83 59.629 11.650 -4.492 1.00 0.00 O ATOM 465 CB CYS A 83 61.896 11.398 -6.331 1.00 0.00 C ATOM 466 SG CYS A 83 62.901 10.189 -5.440 1.00 0.00 S ATOM 0 H CYS A 83 63.608 12.439 -4.771 1.00 0.00 H new ATOM 0 HA CYS A 83 61.117 13.370 -5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.957 10.944 -6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.414 11.724 -7.233 1.00 0.00 H new ATOM 471 N LEU A 84 61.190 12.424 -3.047 1.00 0.00 N ATOM 472 CA LEU A 84 60.442 12.096 -1.849 1.00 0.00 C ATOM 473 C LEU A 84 60.476 10.608 -1.567 1.00 0.00 C ATOM 474 O LEU A 84 59.452 9.990 -1.281 1.00 0.00 O ATOM 475 CB LEU A 84 58.993 12.582 -1.971 1.00 0.00 C ATOM 476 CG LEU A 84 58.499 13.123 -0.632 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.108 13.728 -0.824 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.424 11.980 0.381 1.00 0.00 C ATOM 0 H LEU A 84 62.096 12.856 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 84 60.916 12.607 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.926 13.360 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.354 11.762 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 84 59.185 13.886 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.746 14.117 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 84 57.161 14.538 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.424 12.960 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.071 12.365 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.733 11.218 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.414 11.541 0.509 1.00 0.00 H new ATOM 490 N HIS A 85 61.665 10.048 -1.625 1.00 0.00 N ATOM 491 CA HIS A 85 61.838 8.641 -1.347 1.00 0.00 C ATOM 492 C HIS A 85 62.957 8.454 -0.345 1.00 0.00 C ATOM 493 O HIS A 85 64.095 8.858 -0.580 1.00 0.00 O ATOM 494 CB HIS A 85 62.168 7.900 -2.631 1.00 0.00 C ATOM 495 CG HIS A 85 60.982 7.942 -3.556 1.00 0.00 C ATOM 496 ND1 HIS A 85 61.112 7.837 -4.929 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.637 8.070 -3.320 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.879 7.903 -5.463 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.943 8.047 -4.525 1.00 0.00 N ATOM 0 H HIS A 85 62.524 10.545 -1.862 1.00 0.00 H new ATOM 0 HA HIS A 85 60.913 8.240 -0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 85 63.034 8.354 -3.113 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.432 6.866 -2.409 1.00 0.00 H new ATOM 0 HD2 HIS A 85 59.185 8.173 -2.345 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.673 7.846 -6.522 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.935 8.124 -4.662 1.00 0.00 H new ATOM 507 N SER A 86 62.626 7.844 0.773 1.00 0.00 N ATOM 508 CA SER A 86 63.614 7.613 1.815 1.00 0.00 C ATOM 509 C SER A 86 64.355 6.305 1.555 1.00 0.00 C ATOM 510 O SER A 86 63.742 5.279 1.259 1.00 0.00 O ATOM 511 CB SER A 86 62.936 7.539 3.178 1.00 0.00 C ATOM 512 OG SER A 86 61.860 8.468 3.220 1.00 0.00 O ATOM 0 H SER A 86 61.690 7.500 0.987 1.00 0.00 H new ATOM 0 HA SER A 86 64.322 8.442 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.567 6.529 3.359 1.00 0.00 H new ATOM 0 HB3 SER A 86 63.655 7.762 3.967 1.00 0.00 H new ATOM 0 HG SER A 86 61.098 8.065 3.686 1.00 0.00 H new ATOM 518 N ALA A 87 65.679 6.350 1.663 1.00 0.00 N ATOM 519 CA ALA A 87 66.495 5.165 1.429 1.00 0.00 C ATOM 520 C ALA A 87 67.814 5.260 2.193 1.00 0.00 C ATOM 521 O ALA A 87 68.175 6.318 2.699 1.00 0.00 O ATOM 522 CB ALA A 87 66.771 5.007 -0.065 1.00 0.00 C ATOM 0 H ALA A 87 66.206 7.188 1.909 1.00 0.00 H new ATOM 0 HA ALA A 87 65.948 4.293 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.381 4.119 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.827 4.903 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.302 5.886 -0.432 1.00 0.00 H new ATOM 528 N CYS A 88 68.520 4.142 2.274 1.00 0.00 N ATOM 529 CA CYS A 88 69.794 4.097 2.981 1.00 0.00 C ATOM 530 C CYS A 88 70.850 4.897 2.223 1.00 0.00 C ATOM 531 O CYS A 88 70.806 4.979 1.002 1.00 0.00 O ATOM 532 CB CYS A 88 70.270 2.646 3.094 1.00 0.00 C ATOM 533 SG CYS A 88 68.870 1.556 3.451 1.00 0.00 S ATOM 0 H CYS A 88 68.234 3.255 1.860 1.00 0.00 H new ATOM 0 HA CYS A 88 69.653 4.526 3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.751 2.340 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.017 2.561 3.883 1.00 0.00 H new ATOM 538 N SER A 89 71.809 5.473 2.943 1.00 0.00 N ATOM 539 CA SER A 89 72.864 6.241 2.291 1.00 0.00 C ATOM 540 C SER A 89 73.620 5.358 1.302 1.00 0.00 C ATOM 541 O SER A 89 73.899 5.762 0.174 1.00 0.00 O ATOM 542 CB SER A 89 73.843 6.779 3.337 1.00 0.00 C ATOM 543 OG SER A 89 74.888 7.488 2.685 1.00 0.00 O ATOM 0 H SER A 89 71.877 5.424 3.960 1.00 0.00 H new ATOM 0 HA SER A 89 72.408 7.075 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.323 7.436 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.256 5.957 3.921 1.00 0.00 H new ATOM 0 HG SER A 89 75.515 7.835 3.354 1.00 0.00 H new ATOM 549 N ALA A 90 73.935 4.148 1.740 1.00 0.00 N ATOM 550 CA ALA A 90 74.647 3.194 0.895 1.00 0.00 C ATOM 551 C ALA A 90 73.801 2.847 -0.319 1.00 0.00 C ATOM 552 O ALA A 90 74.310 2.741 -1.434 1.00 0.00 O ATOM 553 CB ALA A 90 74.965 1.920 1.680 1.00 0.00 C ATOM 0 H ALA A 90 73.711 3.802 2.673 1.00 0.00 H new ATOM 0 HA ALA A 90 75.582 3.649 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.496 1.219 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.589 2.168 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.037 1.464 2.025 1.00 0.00 H new ATOM 559 N CYS A 91 72.501 2.685 -0.091 1.00 0.00 N ATOM 560 CA CYS A 91 71.576 2.367 -1.162 1.00 0.00 C ATOM 561 C CYS A 91 71.418 3.574 -2.078 1.00 0.00 C ATOM 562 O CYS A 91 71.144 3.441 -3.269 1.00 0.00 O ATOM 563 CB CYS A 91 70.225 1.945 -0.579 1.00 0.00 C ATOM 564 SG CYS A 91 70.419 0.332 0.217 1.00 0.00 S ATOM 0 H CYS A 91 72.069 2.770 0.829 1.00 0.00 H new ATOM 0 HA CYS A 91 71.970 1.536 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 91 69.877 2.684 0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.473 1.890 -1.367 1.00 0.00 H new ATOM 569 N LEU A 92 71.607 4.752 -1.502 1.00 0.00 N ATOM 570 CA LEU A 92 71.504 5.996 -2.239 1.00 0.00 C ATOM 571 C LEU A 92 72.651 6.149 -3.236 1.00 0.00 C ATOM 572 O LEU A 92 72.478 6.713 -4.314 1.00 0.00 O ATOM 573 CB LEU A 92 71.515 7.148 -1.244 1.00 0.00 C ATOM 574 CG LEU A 92 70.127 7.782 -1.191 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.245 7.000 -0.218 1.00 0.00 C ATOM 576 CD2 LEU A 92 70.253 9.221 -0.718 1.00 0.00 C ATOM 0 H LEU A 92 71.835 4.869 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 92 70.575 5.997 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 92 71.801 6.787 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 92 72.256 7.891 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 92 69.676 7.760 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.254 7.453 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 92 69.159 5.967 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.692 7.022 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 92 69.265 9.679 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 92 70.702 9.240 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 92 70.883 9.778 -1.411 1.00 0.00 H new ATOM 588 N GLY A 93 73.824 5.653 -2.874 1.00 0.00 N ATOM 589 CA GLY A 93 74.982 5.755 -3.757 1.00 0.00 C ATOM 590 C GLY A 93 74.670 5.251 -5.175 1.00 0.00 C ATOM 591 O GLY A 93 74.803 6.007 -6.140 1.00 0.00 O ATOM 0 H GLY A 93 74.002 5.181 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.311 6.793 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.808 5.178 -3.340 1.00 0.00 H new ATOM 595 N PRO A 94 74.245 4.017 -5.336 1.00 0.00 N ATOM 596 CA PRO A 94 73.915 3.461 -6.684 1.00 0.00 C ATOM 597 C PRO A 94 72.771 4.208 -7.370 1.00 0.00 C ATOM 598 O PRO A 94 72.531 4.020 -8.563 1.00 0.00 O ATOM 599 CB PRO A 94 73.543 2.001 -6.420 1.00 0.00 C ATOM 600 CG PRO A 94 73.219 1.925 -4.972 1.00 0.00 C ATOM 601 CD PRO A 94 74.043 3.010 -4.282 1.00 0.00 C ATOM 0 HA PRO A 94 74.758 3.564 -7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 94 72.691 1.698 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.368 1.335 -6.672 1.00 0.00 H new ATOM 0 HG2 PRO A 94 72.154 2.083 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 94 73.462 0.941 -4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.516 3.428 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 94 74.992 2.619 -3.914 1.00 0.00 H new ATOM 609 N ALA A 95 72.073 5.056 -6.622 1.00 0.00 N ATOM 610 CA ALA A 95 70.966 5.819 -7.188 1.00 0.00 C ATOM 611 C ALA A 95 71.459 6.704 -8.331 1.00 0.00 C ATOM 612 O ALA A 95 70.765 6.892 -9.335 1.00 0.00 O ATOM 613 CB ALA A 95 70.314 6.690 -6.110 1.00 0.00 C ATOM 0 H ALA A 95 72.251 5.231 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 95 70.228 5.116 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.490 7.254 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 95 69.935 6.055 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.053 7.382 -5.706 1.00 0.00 H new ATOM 619 N ALA A 96 72.657 7.260 -8.179 1.00 0.00 N ATOM 620 CA ALA A 96 73.201 8.126 -9.221 1.00 0.00 C ATOM 621 C ALA A 96 74.081 7.326 -10.189 1.00 0.00 C ATOM 622 O ALA A 96 74.736 6.357 -9.788 1.00 0.00 O ATOM 623 CB ALA A 96 74.021 9.251 -8.594 1.00 0.00 C ATOM 0 H ALA A 96 73.258 7.132 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 96 72.367 8.553 -9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.422 9.891 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.384 9.841 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.843 8.825 -8.019 1.00 0.00 H new ATOM 629 N PRO A 97 74.114 7.699 -11.448 1.00 0.00 N ATOM 630 CA PRO A 97 74.935 6.982 -12.464 1.00 0.00 C ATOM 631 C PRO A 97 76.431 7.151 -12.227 1.00 0.00 C ATOM 632 O PRO A 97 77.216 6.242 -12.490 1.00 0.00 O ATOM 633 CB PRO A 97 74.521 7.619 -13.790 1.00 0.00 C ATOM 634 CG PRO A 97 74.004 8.967 -13.432 1.00 0.00 C ATOM 635 CD PRO A 97 73.393 8.837 -12.041 1.00 0.00 C ATOM 0 HA PRO A 97 74.765 5.906 -12.432 1.00 0.00 H new ATOM 0 HB2 PRO A 97 75.367 7.691 -14.473 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.757 7.025 -14.291 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.806 9.705 -13.437 1.00 0.00 H new ATOM 0 HG3 PRO A 97 73.259 9.302 -14.154 1.00 0.00 H new ATOM 0 HD2 PRO A 97 73.531 9.747 -11.457 1.00 0.00 H new ATOM 0 HD3 PRO A 97 72.320 8.649 -12.091 1.00 0.00 H new ATOM 643 N ALA A 98 76.818 8.321 -11.731 1.00 0.00 N ATOM 644 CA ALA A 98 78.224 8.595 -11.467 1.00 0.00 C ATOM 645 C ALA A 98 78.765 7.646 -10.402 1.00 0.00 C ATOM 646 O ALA A 98 79.853 7.089 -10.544 1.00 0.00 O ATOM 647 CB ALA A 98 78.390 10.048 -11.006 1.00 0.00 C ATOM 0 H ALA A 98 76.184 9.088 -11.506 1.00 0.00 H new ATOM 0 HA ALA A 98 78.789 8.440 -12.386 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.443 10.249 -10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.031 10.720 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 98 77.814 10.209 -10.095 1.00 0.00 H new ATOM 653 N ALA A 99 77.991 7.466 -9.338 1.00 0.00 N ATOM 654 CA ALA A 99 78.391 6.581 -8.254 1.00 0.00 C ATOM 655 C ALA A 99 78.495 5.143 -8.746 1.00 0.00 C ATOM 656 O ALA A 99 79.424 4.419 -8.390 1.00 0.00 O ATOM 657 CB ALA A 99 77.375 6.667 -7.119 1.00 0.00 C ATOM 0 H ALA A 99 77.087 7.919 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 99 79.370 6.895 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 99 77.677 6.003 -6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 99 77.328 7.692 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 99 76.393 6.368 -7.486 1.00 0.00 H new ATOM 663 N ALA A 100 77.531 4.734 -9.567 1.00 0.00 N ATOM 664 CA ALA A 100 77.525 3.376 -10.101 1.00 0.00 C ATOM 665 C ALA A 100 76.775 3.323 -11.428 1.00 0.00 C ATOM 666 O ALA A 100 75.960 4.196 -11.725 1.00 0.00 O ATOM 667 CB ALA A 100 76.869 2.424 -9.101 1.00 0.00 C ATOM 0 H ALA A 100 76.752 5.317 -9.874 1.00 0.00 H new ATOM 0 HA ALA A 100 78.557 3.069 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 100 76.869 1.413 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 100 77.427 2.439 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 100 75.843 2.741 -8.916 1.00 0.00 H new ATOM 673 N ASN A 101 77.053 2.294 -12.221 1.00 0.00 N ATOM 674 CA ASN A 101 76.395 2.144 -13.514 1.00 0.00 C ATOM 675 C ASN A 101 75.047 1.451 -13.345 1.00 0.00 C ATOM 676 O ASN A 101 74.981 0.235 -13.172 1.00 0.00 O ATOM 677 CB ASN A 101 77.277 1.322 -14.457 1.00 0.00 C ATOM 678 CG ASN A 101 76.692 1.338 -15.865 1.00 0.00 C ATOM 679 OD1 ASN A 101 76.103 2.335 -16.283 1.00 0.00 O ATOM 680 ND2 ASN A 101 76.820 0.286 -16.627 1.00 0.00 N ATOM 0 H ASN A 101 77.722 1.558 -11.995 1.00 0.00 H new ATOM 0 HA ASN A 101 76.235 3.135 -13.939 1.00 0.00 H new ATOM 0 HB2 ASN A 101 78.288 1.729 -14.470 1.00 0.00 H new ATOM 0 HB3 ASN A 101 77.351 0.296 -14.097 1.00 0.00 H new ATOM 0 HD21 ASN A 101 76.432 0.289 -17.570 1.00 0.00 H new ATOM 0 HD22 ASN A 101 77.308 -0.539 -16.279 1.00 0.00 H new ATOM 687 N SER A 102 73.976 2.235 -13.395 1.00 0.00 N ATOM 688 CA SER A 102 72.635 1.686 -13.244 1.00 0.00 C ATOM 689 C SER A 102 72.303 0.758 -14.408 1.00 0.00 C ATOM 690 O SER A 102 72.597 1.065 -15.563 1.00 0.00 O ATOM 691 CB SER A 102 71.611 2.820 -13.184 1.00 0.00 C ATOM 692 OG SER A 102 70.303 2.269 -13.107 1.00 0.00 O ATOM 0 H SER A 102 74.010 3.244 -13.538 1.00 0.00 H new ATOM 0 HA SER A 102 72.598 1.114 -12.317 1.00 0.00 H new ATOM 0 HB2 SER A 102 71.803 3.453 -12.318 1.00 0.00 H new ATOM 0 HB3 SER A 102 71.700 3.453 -14.067 1.00 0.00 H new ATOM 0 HG SER A 102 69.645 2.994 -13.067 1.00 0.00 H new ATOM 698 N SER A 103 71.686 -0.376 -14.094 1.00 0.00 N ATOM 699 CA SER A 103 71.315 -1.343 -15.120 1.00 0.00 C ATOM 700 C SER A 103 69.919 -1.045 -15.655 1.00 0.00 C ATOM 701 O SER A 103 69.092 -0.449 -14.964 1.00 0.00 O ATOM 702 CB SER A 103 71.354 -2.758 -14.544 1.00 0.00 C ATOM 703 OG SER A 103 72.689 -3.076 -14.172 1.00 0.00 O ATOM 0 H SER A 103 71.434 -0.647 -13.144 1.00 0.00 H new ATOM 0 HA SER A 103 72.029 -1.268 -15.940 1.00 0.00 H new ATOM 0 HB2 SER A 103 70.696 -2.829 -13.678 1.00 0.00 H new ATOM 0 HB3 SER A 103 70.989 -3.473 -15.281 1.00 0.00 H new ATOM 0 HG SER A 103 72.718 -3.982 -13.800 1.00 0.00 H new ATOM 709 N GLY A 104 69.662 -1.459 -16.891 1.00 0.00 N ATOM 710 CA GLY A 104 68.361 -1.229 -17.508 1.00 0.00 C ATOM 711 C GLY A 104 68.291 0.162 -18.129 1.00 0.00 C ATOM 712 O GLY A 104 69.303 0.851 -18.250 1.00 0.00 O ATOM 0 H GLY A 104 70.332 -1.952 -17.482 1.00 0.00 H new ATOM 0 HA2 GLY A 104 68.179 -1.983 -18.274 1.00 0.00 H new ATOM 0 HA3 GLY A 104 67.575 -1.338 -16.760 1.00 0.00 H new ATOM 716 N ASP A 105 67.089 0.567 -18.529 1.00 0.00 N ATOM 717 CA ASP A 105 66.901 1.876 -19.143 1.00 0.00 C ATOM 718 C ASP A 105 66.657 2.939 -18.076 1.00 0.00 C ATOM 719 O ASP A 105 65.556 3.050 -17.536 1.00 0.00 O ATOM 720 CB ASP A 105 65.709 1.835 -20.100 1.00 0.00 C ATOM 721 CG ASP A 105 65.541 3.186 -20.792 1.00 0.00 C ATOM 722 OD1 ASP A 105 66.350 4.065 -20.541 1.00 0.00 O ATOM 723 OD2 ASP A 105 64.604 3.322 -21.561 1.00 0.00 O ATOM 0 H ASP A 105 66.238 0.012 -18.440 1.00 0.00 H new ATOM 0 HA ASP A 105 67.806 2.130 -19.695 1.00 0.00 H new ATOM 0 HB2 ASP A 105 65.858 1.053 -20.845 1.00 0.00 H new ATOM 0 HB3 ASP A 105 64.801 1.584 -19.551 1.00 0.00 H new ATOM 728 N GLY A 106 67.688 3.724 -17.782 1.00 0.00 N ATOM 729 CA GLY A 106 67.572 4.781 -16.786 1.00 0.00 C ATOM 730 C GLY A 106 68.893 5.528 -16.633 1.00 0.00 C ATOM 731 O GLY A 106 69.918 5.111 -17.170 1.00 0.00 O ATOM 0 H GLY A 106 68.608 3.649 -18.217 1.00 0.00 H new ATOM 0 HA2 GLY A 106 66.787 5.478 -17.079 1.00 0.00 H new ATOM 0 HA3 GLY A 106 67.278 4.353 -15.828 1.00 0.00 H new ATOM 735 N GLY A 107 68.862 6.632 -15.894 1.00 0.00 N ATOM 736 CA GLY A 107 70.066 7.424 -15.679 1.00 0.00 C ATOM 737 C GLY A 107 70.477 8.151 -16.956 1.00 0.00 C ATOM 738 O GLY A 107 71.636 8.537 -17.115 1.00 0.00 O ATOM 0 H GLY A 107 68.025 6.995 -15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 107 69.892 8.149 -14.884 1.00 0.00 H new ATOM 0 HA3 GLY A 107 70.878 6.776 -15.348 1.00 0.00 H new ATOM 742 N ALA A 108 69.525 8.333 -17.868 1.00 0.00 N ATOM 743 CA ALA A 108 69.815 9.013 -19.125 1.00 0.00 C ATOM 744 C ALA A 108 70.229 10.456 -18.869 1.00 0.00 C ATOM 745 O ALA A 108 69.610 11.155 -18.065 1.00 0.00 O ATOM 746 CB ALA A 108 68.579 8.990 -20.025 1.00 0.00 C ATOM 0 H ALA A 108 68.559 8.023 -17.762 1.00 0.00 H new ATOM 0 HA ALA A 108 70.636 8.492 -19.618 1.00 0.00 H new ATOM 0 HB1 ALA A 108 68.802 9.500 -20.962 1.00 0.00 H new ATOM 0 HB2 ALA A 108 68.298 7.957 -20.231 1.00 0.00 H new ATOM 0 HB3 ALA A 108 67.754 9.497 -19.524 1.00 0.00 H new ATOM 752 N ALA A 109 71.279 10.893 -19.558 1.00 0.00 N ATOM 753 CA ALA A 109 71.777 12.256 -19.403 1.00 0.00 C ATOM 754 C ALA A 109 71.900 12.620 -17.927 1.00 0.00 C ATOM 755 O ALA A 109 71.770 13.784 -17.555 1.00 0.00 O ATOM 756 CB ALA A 109 70.835 13.240 -20.098 1.00 0.00 C ATOM 0 H ALA A 109 71.800 10.326 -20.227 1.00 0.00 H new ATOM 0 HA ALA A 109 72.764 12.314 -19.861 1.00 0.00 H new ATOM 0 HB1 ALA A 109 71.215 14.255 -19.977 1.00 0.00 H new ATOM 0 HB2 ALA A 109 70.776 12.999 -21.159 1.00 0.00 H new ATOM 0 HB3 ALA A 109 69.842 13.169 -19.654 1.00 0.00 H new ATOM 762 N GLY A 110 72.155 11.615 -17.093 1.00 0.00 N ATOM 763 CA GLY A 110 72.297 11.835 -15.659 1.00 0.00 C ATOM 764 C GLY A 110 73.732 12.210 -15.321 1.00 0.00 C ATOM 765 O GLY A 110 74.461 12.717 -16.174 1.00 0.00 O ATOM 0 H GLY A 110 72.267 10.644 -17.385 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.622 12.628 -15.337 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.012 10.934 -15.116 1.00 0.00 H new ATOM 769 N ASP A 111 74.123 11.948 -14.075 1.00 0.00 N ATOM 770 CA ASP A 111 75.485 12.238 -13.614 1.00 0.00 C ATOM 771 C ASP A 111 75.710 13.738 -13.417 1.00 0.00 C ATOM 772 O ASP A 111 76.252 14.419 -14.290 1.00 0.00 O ATOM 773 CB ASP A 111 76.509 11.682 -14.612 1.00 0.00 C ATOM 774 CG ASP A 111 77.863 11.503 -13.936 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.100 12.167 -12.942 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.643 10.701 -14.424 1.00 0.00 O ATOM 0 H ASP A 111 73.518 11.536 -13.365 1.00 0.00 H new ATOM 0 HA ASP A 111 75.617 11.752 -12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.162 10.726 -15.005 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.605 12.360 -15.460 1.00 0.00 H new ATOM 781 N GLY A 112 75.284 14.242 -12.260 1.00 0.00 N ATOM 782 CA GLY A 112 75.427 15.655 -11.936 1.00 0.00 C ATOM 783 C GLY A 112 74.081 16.351 -12.000 1.00 0.00 C ATOM 784 O GLY A 112 73.897 17.430 -11.437 1.00 0.00 O ATOM 0 H GLY A 112 74.836 13.688 -11.530 1.00 0.00 H new ATOM 0 HA2 GLY A 112 75.853 15.765 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.121 16.126 -12.633 1.00 0.00 H new ATOM 788 N THR A 113 73.143 15.715 -12.678 1.00 0.00 N ATOM 789 CA THR A 113 71.810 16.257 -12.805 1.00 0.00 C ATOM 790 C THR A 113 70.789 15.315 -12.158 1.00 0.00 C ATOM 791 O THR A 113 70.869 15.051 -10.961 1.00 0.00 O ATOM 792 CB THR A 113 71.524 16.550 -14.288 1.00 0.00 C ATOM 793 OG1 THR A 113 70.163 16.923 -14.454 1.00 0.00 O ATOM 794 CG2 THR A 113 71.840 15.319 -15.151 1.00 0.00 C ATOM 0 H THR A 113 73.284 14.821 -13.149 1.00 0.00 H new ATOM 0 HA THR A 113 71.727 17.202 -12.268 1.00 0.00 H new ATOM 0 HB THR A 113 72.163 17.373 -14.610 1.00 0.00 H new ATOM 0 HG1 THR A 113 69.988 17.110 -15.400 1.00 0.00 H new ATOM 0 HG21 THR A 113 71.632 15.545 -16.197 1.00 0.00 H new ATOM 0 HG22 THR A 113 72.892 15.056 -15.039 1.00 0.00 H new ATOM 0 HG23 THR A 113 71.221 14.481 -14.830 1.00 0.00 H new ATOM 802 N VAL A 114 69.834 14.819 -12.928 1.00 0.00 N ATOM 803 CA VAL A 114 68.815 13.933 -12.391 1.00 0.00 C ATOM 804 C VAL A 114 69.441 12.663 -11.828 1.00 0.00 C ATOM 805 O VAL A 114 70.534 12.265 -12.229 1.00 0.00 O ATOM 806 CB VAL A 114 67.838 13.562 -13.504 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.448 14.811 -14.300 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.504 12.550 -14.437 1.00 0.00 C ATOM 0 H VAL A 114 69.743 15.015 -13.925 1.00 0.00 H new ATOM 0 HA VAL A 114 68.293 14.449 -11.585 1.00 0.00 H new ATOM 0 HB VAL A 114 66.940 13.128 -13.065 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.751 14.535 -15.091 1.00 0.00 H new ATOM 0 HG12 VAL A 114 66.975 15.533 -13.635 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.341 15.255 -14.741 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.812 12.280 -15.235 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.402 12.990 -14.870 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.773 11.657 -13.873 1.00 0.00 H new ATOM 818 N VAL A 115 68.738 12.034 -10.890 1.00 0.00 N ATOM 819 CA VAL A 115 69.233 10.814 -10.267 1.00 0.00 C ATOM 820 C VAL A 115 68.275 9.654 -10.506 1.00 0.00 C ATOM 821 O VAL A 115 67.056 9.822 -10.458 1.00 0.00 O ATOM 822 CB VAL A 115 69.417 11.023 -8.766 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.921 9.727 -8.126 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.434 12.142 -8.532 1.00 0.00 C ATOM 0 H VAL A 115 67.830 12.348 -10.548 1.00 0.00 H new ATOM 0 HA VAL A 115 70.195 10.572 -10.719 1.00 0.00 H new ATOM 0 HB VAL A 115 68.463 11.298 -8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 115 70.052 9.877 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.195 8.932 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.875 9.448 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.568 12.294 -7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.388 11.866 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.072 13.064 -8.987 1.00 0.00 H new ATOM 834 N ASP A 116 68.836 8.479 -10.767 1.00 0.00 N ATOM 835 CA ASP A 116 68.021 7.298 -11.013 1.00 0.00 C ATOM 836 C ASP A 116 67.629 6.625 -9.716 1.00 0.00 C ATOM 837 O ASP A 116 68.450 6.029 -9.021 1.00 0.00 O ATOM 838 CB ASP A 116 68.760 6.312 -11.911 1.00 0.00 C ATOM 839 CG ASP A 116 67.996 4.997 -11.981 1.00 0.00 C ATOM 840 OD1 ASP A 116 68.266 4.134 -11.162 1.00 0.00 O ATOM 841 OD2 ASP A 116 67.154 4.870 -12.853 1.00 0.00 O ATOM 0 H ASP A 116 69.842 8.320 -10.813 1.00 0.00 H new ATOM 0 HA ASP A 116 67.112 7.622 -11.519 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.871 6.731 -12.911 1.00 0.00 H new ATOM 0 HB3 ASP A 116 69.764 6.138 -11.525 1.00 0.00 H new ATOM 846 N CYS A 117 66.358 6.742 -9.407 1.00 0.00 N ATOM 847 CA CYS A 117 65.811 6.170 -8.200 1.00 0.00 C ATOM 848 C CYS A 117 65.035 4.895 -8.543 1.00 0.00 C ATOM 849 O CYS A 117 64.216 4.910 -9.446 1.00 0.00 O ATOM 850 CB CYS A 117 64.865 7.184 -7.579 1.00 0.00 C ATOM 851 SG CYS A 117 64.413 6.651 -5.913 1.00 0.00 S ATOM 0 H CYS A 117 65.677 7.235 -9.984 1.00 0.00 H new ATOM 0 HA CYS A 117 66.613 5.923 -7.504 1.00 0.00 H new ATOM 0 HB2 CYS A 117 65.340 8.164 -7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.971 7.286 -8.194 1.00 0.00 H new ATOM 856 N PRO A 118 65.252 3.802 -7.869 1.00 0.00 N ATOM 857 CA PRO A 118 64.513 2.544 -8.177 1.00 0.00 C ATOM 858 C PRO A 118 62.995 2.719 -8.136 1.00 0.00 C ATOM 859 O PRO A 118 62.257 1.855 -8.610 1.00 0.00 O ATOM 860 CB PRO A 118 64.941 1.584 -7.078 1.00 0.00 C ATOM 861 CG PRO A 118 66.234 2.108 -6.563 1.00 0.00 C ATOM 862 CD PRO A 118 66.205 3.619 -6.763 1.00 0.00 C ATOM 0 HA PRO A 118 64.741 2.199 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 118 64.194 1.539 -6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.056 0.572 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 118 66.360 1.859 -5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 118 67.073 1.663 -7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.878 4.137 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 118 67.191 4.009 -7.014 1.00 0.00 H new ATOM 870 N VAL A 119 62.528 3.812 -7.547 1.00 0.00 N ATOM 871 CA VAL A 119 61.092 4.034 -7.440 1.00 0.00 C ATOM 872 C VAL A 119 60.546 4.850 -8.612 1.00 0.00 C ATOM 873 O VAL A 119 59.711 4.365 -9.376 1.00 0.00 O ATOM 874 CB VAL A 119 60.792 4.762 -6.135 1.00 0.00 C ATOM 875 CG1 VAL A 119 59.281 4.819 -5.911 1.00 0.00 C ATOM 876 CG2 VAL A 119 61.461 4.022 -4.972 1.00 0.00 C ATOM 0 H VAL A 119 63.110 4.546 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 119 60.603 3.060 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 119 61.183 5.778 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 119 59.071 5.340 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.810 5.352 -6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.882 3.806 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.247 4.542 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.074 3.004 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.539 3.992 -5.132 1.00 0.00 H new ATOM 886 N CYS A 120 61.011 6.088 -8.751 1.00 0.00 N ATOM 887 CA CYS A 120 60.544 6.941 -9.841 1.00 0.00 C ATOM 888 C CYS A 120 61.501 6.868 -11.026 1.00 0.00 C ATOM 889 O CYS A 120 61.102 7.068 -12.174 1.00 0.00 O ATOM 890 CB CYS A 120 60.412 8.389 -9.357 1.00 0.00 C ATOM 891 SG CYS A 120 61.941 8.904 -8.541 1.00 0.00 S ATOM 0 H CYS A 120 61.700 6.519 -8.134 1.00 0.00 H new ATOM 0 HA CYS A 120 59.566 6.585 -10.165 1.00 0.00 H new ATOM 0 HB2 CYS A 120 60.200 9.046 -10.200 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.573 8.476 -8.666 1.00 0.00 H new ATOM 896 N LYS A 121 62.759 6.560 -10.737 1.00 0.00 N ATOM 897 CA LYS A 121 63.774 6.436 -11.776 1.00 0.00 C ATOM 898 C LYS A 121 63.823 7.696 -12.634 1.00 0.00 C ATOM 899 O LYS A 121 64.261 7.664 -13.784 1.00 0.00 O ATOM 900 CB LYS A 121 63.469 5.208 -12.645 1.00 0.00 C ATOM 901 CG LYS A 121 64.335 4.012 -12.211 1.00 0.00 C ATOM 902 CD LYS A 121 63.455 2.924 -11.586 1.00 0.00 C ATOM 903 CE LYS A 121 64.150 1.573 -11.744 1.00 0.00 C ATOM 904 NZ LYS A 121 63.352 0.513 -11.065 1.00 0.00 N ATOM 0 H LYS A 121 63.101 6.391 -9.791 1.00 0.00 H new ATOM 0 HA LYS A 121 64.749 6.310 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 121 62.413 4.949 -12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.659 5.441 -13.693 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.869 3.609 -13.071 1.00 0.00 H new ATOM 0 HG3 LYS A 121 65.087 4.339 -11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 121 63.283 3.138 -10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 121 62.479 2.904 -12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 121 64.264 1.334 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 121 65.152 1.617 -11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 63.970 -0.289 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.935 0.897 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 62.593 0.191 -11.698 1.00 0.00 H new ATOM 918 N GLN A 122 63.384 8.812 -12.058 1.00 0.00 N ATOM 919 CA GLN A 122 63.399 10.080 -12.771 1.00 0.00 C ATOM 920 C GLN A 122 63.259 11.244 -11.798 1.00 0.00 C ATOM 921 O GLN A 122 62.343 11.271 -10.976 1.00 0.00 O ATOM 922 CB GLN A 122 62.265 10.121 -13.795 1.00 0.00 C ATOM 923 CG GLN A 122 62.487 11.298 -14.746 1.00 0.00 C ATOM 924 CD GLN A 122 61.934 12.578 -14.132 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.992 12.533 -13.342 1.00 0.00 O ATOM 926 NE2 GLN A 122 62.466 13.726 -14.452 1.00 0.00 N ATOM 0 H GLN A 122 63.017 8.862 -11.108 1.00 0.00 H new ATOM 0 HA GLN A 122 64.353 10.171 -13.290 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.231 9.187 -14.355 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.305 10.224 -13.288 1.00 0.00 H new ATOM 0 HG2 GLN A 122 63.551 11.414 -14.951 1.00 0.00 H new ATOM 0 HG3 GLN A 122 61.998 11.102 -15.700 1.00 0.00 H new ATOM 0 HE21 GLN A 122 63.247 13.761 -15.107 1.00 0.00 H new ATOM 0 HE22 GLN A 122 62.101 14.588 -14.047 1.00 0.00 H new ATOM 935 N GLN A 123 64.164 12.210 -11.902 1.00 0.00 N ATOM 936 CA GLN A 123 64.126 13.378 -11.029 1.00 0.00 C ATOM 937 C GLN A 123 64.382 14.648 -11.821 1.00 0.00 C ATOM 938 O GLN A 123 65.235 14.673 -12.693 1.00 0.00 O ATOM 939 CB GLN A 123 65.168 13.249 -9.913 1.00 0.00 C ATOM 940 CG GLN A 123 64.466 12.993 -8.577 1.00 0.00 C ATOM 941 CD GLN A 123 63.552 14.170 -8.236 1.00 0.00 C ATOM 942 OE1 GLN A 123 62.438 13.971 -7.757 1.00 0.00 O ATOM 943 NE2 GLN A 123 63.951 15.391 -8.474 1.00 0.00 N ATOM 0 H GLN A 123 64.928 12.209 -12.577 1.00 0.00 H new ATOM 0 HA GLN A 123 63.132 13.433 -10.584 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.854 12.432 -10.136 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.765 14.159 -9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 123 63.884 12.073 -8.633 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.205 12.855 -7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 123 64.876 15.557 -8.872 1.00 0.00 H new ATOM 0 HE22 GLN A 123 63.338 16.178 -8.262 1.00 0.00 H new ATOM 952 N CYS A 124 63.640 15.701 -11.514 1.00 0.00 N ATOM 953 CA CYS A 124 63.816 16.964 -12.217 1.00 0.00 C ATOM 954 C CYS A 124 65.230 17.497 -12.002 1.00 0.00 C ATOM 955 O CYS A 124 65.919 17.869 -12.952 1.00 0.00 O ATOM 956 CB CYS A 124 62.800 17.987 -11.707 1.00 0.00 C ATOM 957 SG CYS A 124 63.004 19.542 -12.610 1.00 0.00 S ATOM 0 H CYS A 124 62.919 15.708 -10.793 1.00 0.00 H new ATOM 0 HA CYS A 124 63.659 16.796 -13.282 1.00 0.00 H new ATOM 0 HB2 CYS A 124 61.787 17.607 -11.840 1.00 0.00 H new ATOM 0 HB3 CYS A 124 62.940 18.153 -10.639 1.00 0.00 H new ATOM 0 HG CYS A 124 63.282 20.497 -11.773 1.00 0.00 H new ATOM 963 N PHE A 125 65.650 17.529 -10.743 1.00 0.00 N ATOM 964 CA PHE A 125 66.980 18.017 -10.396 1.00 0.00 C ATOM 965 C PHE A 125 67.563 17.250 -9.227 1.00 0.00 C ATOM 966 O PHE A 125 66.922 16.366 -8.658 1.00 0.00 O ATOM 967 CB PHE A 125 66.932 19.497 -10.050 1.00 0.00 C ATOM 968 CG PHE A 125 65.685 19.780 -9.248 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.649 19.488 -7.879 1.00 0.00 C ATOM 970 CD2 PHE A 125 64.563 20.328 -9.877 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.489 19.745 -7.140 1.00 0.00 C ATOM 972 CE2 PHE A 125 63.402 20.586 -9.138 1.00 0.00 C ATOM 973 CZ PHE A 125 63.366 20.295 -7.769 1.00 0.00 C ATOM 0 H PHE A 125 65.091 17.224 -9.947 1.00 0.00 H new ATOM 0 HA PHE A 125 67.619 17.866 -11.266 1.00 0.00 H new ATOM 0 HB2 PHE A 125 67.817 19.778 -9.479 1.00 0.00 H new ATOM 0 HB3 PHE A 125 66.937 20.096 -10.961 1.00 0.00 H new ATOM 0 HD1 PHE A 125 66.516 19.065 -7.394 1.00 0.00 H new ATOM 0 HD2 PHE A 125 64.592 20.552 -10.933 1.00 0.00 H new ATOM 0 HE1 PHE A 125 64.460 19.519 -6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 125 62.535 21.009 -9.624 1.00 0.00 H new ATOM 0 HZ PHE A 125 62.471 20.495 -7.198 1.00 0.00 H new ATOM 983 N SER A 126 68.797 17.592 -8.887 1.00 0.00 N ATOM 984 CA SER A 126 69.487 16.932 -7.798 1.00 0.00 C ATOM 985 C SER A 126 69.931 17.910 -6.719 1.00 0.00 C ATOM 986 O SER A 126 71.079 17.888 -6.279 1.00 0.00 O ATOM 987 CB SER A 126 70.689 16.205 -8.349 1.00 0.00 C ATOM 988 OG SER A 126 71.326 17.018 -9.324 1.00 0.00 O ATOM 0 H SER A 126 69.337 18.322 -9.351 1.00 0.00 H new ATOM 0 HA SER A 126 68.792 16.232 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.386 15.970 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A 126 70.383 15.258 -8.793 1.00 0.00 H new ATOM 0 HG SER A 126 71.545 16.475 -10.110 1.00 0.00 H new ATOM 994 N LYS A 127 69.017 18.762 -6.301 1.00 0.00 N ATOM 995 CA LYS A 127 69.315 19.741 -5.264 1.00 0.00 C ATOM 996 C LYS A 127 69.081 19.152 -3.870 1.00 0.00 C ATOM 997 O LYS A 127 69.639 19.631 -2.884 1.00 0.00 O ATOM 998 CB LYS A 127 68.452 20.978 -5.460 1.00 0.00 C ATOM 999 CG LYS A 127 68.781 21.602 -6.816 1.00 0.00 C ATOM 1000 CD LYS A 127 68.059 22.940 -6.957 1.00 0.00 C ATOM 1001 CE LYS A 127 66.553 22.699 -7.056 1.00 0.00 C ATOM 1002 NZ LYS A 127 65.860 23.997 -7.285 1.00 0.00 N ATOM 0 H LYS A 127 68.063 18.800 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 127 70.366 20.018 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.396 20.712 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.635 21.696 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 127 69.857 21.747 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.480 20.929 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 127 68.281 23.577 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 127 68.413 23.465 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 127 66.336 22.009 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 127 66.187 22.235 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 64.835 23.836 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 66.058 24.641 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 66.203 24.422 -8.170 1.00 0.00 H new ATOM 1016 N ASP A 128 68.244 18.116 -3.795 1.00 0.00 N ATOM 1017 CA ASP A 128 67.937 17.479 -2.518 1.00 0.00 C ATOM 1018 C ASP A 128 68.564 16.086 -2.410 1.00 0.00 C ATOM 1019 O ASP A 128 68.153 15.278 -1.579 1.00 0.00 O ATOM 1020 CB ASP A 128 66.424 17.382 -2.343 1.00 0.00 C ATOM 1021 CG ASP A 128 65.848 18.768 -2.077 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.625 19.666 -1.797 1.00 0.00 O ATOM 1023 OD2 ASP A 128 64.640 18.912 -2.156 1.00 0.00 O ATOM 0 H ASP A 128 67.770 17.704 -4.599 1.00 0.00 H new ATOM 0 HA ASP A 128 68.364 18.095 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.971 16.955 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.186 16.714 -1.515 1.00 0.00 H new ATOM 1028 N ILE A 129 69.557 15.811 -3.249 1.00 0.00 N ATOM 1029 CA ILE A 129 70.228 14.510 -3.223 1.00 0.00 C ATOM 1030 C ILE A 129 70.948 14.299 -1.898 1.00 0.00 C ATOM 1031 O ILE A 129 70.755 15.075 -0.960 1.00 0.00 O ATOM 1032 CB ILE A 129 71.231 14.408 -4.373 1.00 0.00 C ATOM 1033 CG1 ILE A 129 72.184 15.608 -4.323 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.476 14.387 -5.694 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.321 15.411 -5.328 1.00 0.00 C ATOM 0 H ILE A 129 69.914 16.461 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 129 69.469 13.736 -3.337 1.00 0.00 H new ATOM 0 HB ILE A 129 71.813 13.491 -4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.641 16.525 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.590 15.719 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.186 14.314 -6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.805 13.528 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.895 15.304 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.995 16.267 -5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.872 14.504 -5.081 1.00 0.00 H new ATOM 0 HD13 ILE A 129 72.907 15.322 -6.333 1.00 0.00 H new ATOM 1047 N VAL A 130 71.770 13.242 -1.836 1.00 0.00 N ATOM 1048 CA VAL A 130 72.524 12.918 -0.635 1.00 0.00 C ATOM 1049 C VAL A 130 73.034 14.187 0.023 1.00 0.00 C ATOM 1050 O VAL A 130 73.977 14.804 -0.462 1.00 0.00 O ATOM 1051 CB VAL A 130 73.706 12.010 -0.987 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.219 10.571 -1.143 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.337 12.471 -2.305 1.00 0.00 C ATOM 0 H VAL A 130 71.924 12.599 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 130 71.865 12.397 0.060 1.00 0.00 H new ATOM 0 HB VAL A 130 74.446 12.063 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.062 9.927 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.771 10.235 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 130 72.476 10.523 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.178 11.823 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 130 73.594 12.421 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.689 13.497 -2.201 1.00 0.00 H new ATOM 1063 N GLU A 131 72.367 14.556 1.115 1.00 0.00 N ATOM 1064 CA GLU A 131 72.684 15.765 1.881 1.00 0.00 C ATOM 1065 C GLU A 131 71.542 16.156 2.795 1.00 0.00 C ATOM 1066 O GLU A 131 71.701 17.020 3.657 1.00 0.00 O ATOM 1067 CB GLU A 131 72.895 16.947 0.957 1.00 0.00 C ATOM 1068 CG GLU A 131 74.387 17.236 0.854 1.00 0.00 C ATOM 1069 CD GLU A 131 74.687 18.028 -0.413 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.824 18.777 -0.839 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.776 17.871 -0.940 1.00 0.00 O ATOM 0 H GLU A 131 71.586 14.023 1.497 1.00 0.00 H new ATOM 0 HA GLU A 131 73.583 15.534 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.484 16.732 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.368 17.822 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.717 17.797 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.946 16.300 0.847 1.00 0.00 H new ATOM 1078 N ASN A 132 70.379 15.563 2.588 1.00 0.00 N ATOM 1079 CA ASN A 132 69.239 15.928 3.387 1.00 0.00 C ATOM 1080 C ASN A 132 69.135 15.050 4.629 1.00 0.00 C ATOM 1081 O ASN A 132 68.060 14.938 5.221 1.00 0.00 O ATOM 1082 CB ASN A 132 67.975 15.788 2.556 1.00 0.00 C ATOM 1083 CG ASN A 132 67.675 14.312 2.354 1.00 0.00 C ATOM 1084 OD1 ASN A 132 66.882 13.730 3.095 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.289 13.663 1.405 1.00 0.00 N ATOM 0 H ASN A 132 70.208 14.842 1.887 1.00 0.00 H new ATOM 0 HA ASN A 132 69.360 16.962 3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.139 16.277 3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.102 16.282 1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.114 12.667 1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.945 14.151 0.795 1.00 0.00 H new ATOM 1092 N TYR A 133 70.253 14.426 5.006 1.00 0.00 N ATOM 1093 CA TYR A 133 70.289 13.552 6.174 1.00 0.00 C ATOM 1094 C TYR A 133 69.508 14.159 7.333 1.00 0.00 C ATOM 1095 O TYR A 133 69.956 15.114 7.969 1.00 0.00 O ATOM 1096 CB TYR A 133 71.745 13.330 6.595 1.00 0.00 C ATOM 1097 CG TYR A 133 71.801 12.976 8.054 1.00 0.00 C ATOM 1098 CD1 TYR A 133 71.356 11.729 8.470 1.00 0.00 C ATOM 1099 CD2 TYR A 133 72.294 13.896 8.988 1.00 0.00 C ATOM 1100 CE1 TYR A 133 71.397 11.386 9.826 1.00 0.00 C ATOM 1101 CE2 TYR A 133 72.338 13.558 10.345 1.00 0.00 C ATOM 1102 CZ TYR A 133 71.888 12.301 10.765 1.00 0.00 C ATOM 1103 OH TYR A 133 71.929 11.964 12.103 1.00 0.00 O ATOM 0 H TYR A 133 71.144 14.512 4.517 1.00 0.00 H new ATOM 0 HA TYR A 133 69.827 12.600 5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 133 72.188 12.532 6.000 1.00 0.00 H new ATOM 0 HB3 TYR A 133 72.330 14.230 6.406 1.00 0.00 H new ATOM 0 HD1 TYR A 133 70.978 11.022 7.746 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.640 14.865 8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.050 10.415 10.148 1.00 0.00 H new ATOM 0 HE2 TYR A 133 72.718 14.266 11.067 1.00 0.00 H new ATOM 0 HH TYR A 133 72.298 12.712 12.618 1.00 0.00 H new ATOM 1113 N PHE A 134 68.328 13.601 7.590 1.00 0.00 N ATOM 1114 CA PHE A 134 67.479 14.094 8.662 1.00 0.00 C ATOM 1115 C PHE A 134 67.866 13.467 9.996 1.00 0.00 C ATOM 1116 O PHE A 134 68.469 14.121 10.846 1.00 0.00 O ATOM 1117 CB PHE A 134 66.017 13.774 8.350 1.00 0.00 C ATOM 1118 CG PHE A 134 65.146 14.257 9.476 1.00 0.00 C ATOM 1119 CD1 PHE A 134 64.717 15.580 9.491 1.00 0.00 C ATOM 1120 CD2 PHE A 134 64.772 13.385 10.505 1.00 0.00 C ATOM 1121 CE1 PHE A 134 63.910 16.046 10.534 1.00 0.00 C ATOM 1122 CE2 PHE A 134 63.964 13.845 11.551 1.00 0.00 C ATOM 1123 CZ PHE A 134 63.532 15.178 11.566 1.00 0.00 C ATOM 0 H PHE A 134 67.943 12.812 7.072 1.00 0.00 H new ATOM 0 HA PHE A 134 67.612 15.173 8.736 1.00 0.00 H new ATOM 0 HB2 PHE A 134 65.720 14.252 7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.890 12.700 8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 134 65.008 16.249 8.695 1.00 0.00 H new ATOM 0 HD2 PHE A 134 65.107 12.358 10.492 1.00 0.00 H new ATOM 0 HE1 PHE A 134 63.579 17.074 10.544 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.674 13.174 12.346 1.00 0.00 H new ATOM 0 HZ PHE A 134 62.909 15.535 12.372 1.00 0.00 H new ATOM 1133 N MET A 135 67.510 12.198 10.179 1.00 0.00 N ATOM 1134 CA MET A 135 67.824 11.505 11.420 1.00 0.00 C ATOM 1135 C MET A 135 67.947 10.005 11.177 1.00 0.00 C ATOM 1136 O MET A 135 67.278 9.451 10.305 1.00 0.00 O ATOM 1137 CB MET A 135 66.725 11.768 12.443 1.00 0.00 C ATOM 1138 CG MET A 135 67.178 11.271 13.818 1.00 0.00 C ATOM 1139 SD MET A 135 65.836 11.491 15.011 1.00 0.00 S ATOM 1140 CE MET A 135 64.807 10.118 14.434 1.00 0.00 C ATOM 0 H MET A 135 67.009 11.636 9.491 1.00 0.00 H new ATOM 0 HA MET A 135 68.776 11.878 11.799 1.00 0.00 H new ATOM 0 HB2 MET A 135 66.501 12.834 12.486 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.807 11.261 12.145 1.00 0.00 H new ATOM 0 HG2 MET A 135 67.460 10.220 13.762 1.00 0.00 H new ATOM 0 HG3 MET A 135 68.061 11.821 14.143 1.00 0.00 H new ATOM 0 HE1 MET A 135 64.474 9.529 15.288 1.00 0.00 H new ATOM 0 HE2 MET A 135 63.940 10.511 13.904 1.00 0.00 H new ATOM 0 HE3 MET A 135 65.387 9.486 13.762 1.00 0.00 H new ATOM 1150 N ARG A 136 68.803 9.351 11.953 1.00 0.00 N ATOM 1151 CA ARG A 136 69.002 7.914 11.811 1.00 0.00 C ATOM 1152 C ARG A 136 67.969 7.156 12.640 1.00 0.00 C ATOM 1153 O ARG A 136 68.313 6.477 13.606 1.00 0.00 O ATOM 1154 CB ARG A 136 70.408 7.538 12.274 1.00 0.00 C ATOM 1155 CG ARG A 136 71.426 8.432 11.566 1.00 0.00 C ATOM 1156 CD ARG A 136 72.816 7.807 11.670 1.00 0.00 C ATOM 1157 NE ARG A 136 73.175 7.604 13.071 1.00 0.00 N ATOM 1158 CZ ARG A 136 73.663 8.590 13.826 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.840 9.791 13.334 1.00 0.00 N ATOM 1160 NH2 ARG A 136 73.968 8.355 15.073 1.00 0.00 N ATOM 0 H ARG A 136 69.367 9.789 12.682 1.00 0.00 H new ATOM 0 HA ARG A 136 68.883 7.644 10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 136 70.492 7.656 13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.609 6.490 12.051 1.00 0.00 H new ATOM 0 HG2 ARG A 136 71.150 8.557 10.519 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.428 9.425 12.016 1.00 0.00 H new ATOM 0 HD2 ARG A 136 72.835 6.854 11.141 1.00 0.00 H new ATOM 0 HD3 ARG A 136 73.550 8.453 11.189 1.00 0.00 H new ATOM 0 HE ARG A 136 73.049 6.680 13.485 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.604 9.983 12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 136 74.214 10.534 13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 136 73.833 7.423 15.464 1.00 0.00 H new ATOM 0 HH22 ARG A 136 74.342 9.104 15.656 1.00 0.00 H new ATOM 1174 N ASP A 137 66.701 7.283 12.257 1.00 0.00 N ATOM 1175 CA ASP A 137 65.624 6.614 12.974 1.00 0.00 C ATOM 1176 C ASP A 137 65.880 5.112 13.057 1.00 0.00 C ATOM 1177 O ASP A 137 66.090 4.452 12.040 1.00 0.00 O ATOM 1178 CB ASP A 137 64.293 6.875 12.262 1.00 0.00 C ATOM 1179 CG ASP A 137 64.485 6.854 10.749 1.00 0.00 C ATOM 1180 OD1 ASP A 137 65.245 6.025 10.277 1.00 0.00 O ATOM 1181 OD2 ASP A 137 63.869 7.670 10.082 1.00 0.00 O ATOM 0 H ASP A 137 66.397 7.840 11.458 1.00 0.00 H new ATOM 0 HA ASP A 137 65.581 7.012 13.988 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.564 6.119 12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.892 7.840 12.570 1.00 0.00 H new ATOM 1186 N SER A 138 65.868 4.582 14.280 1.00 0.00 N ATOM 1187 CA SER A 138 66.109 3.159 14.495 1.00 0.00 C ATOM 1188 C SER A 138 66.028 2.814 15.981 1.00 0.00 C ATOM 1189 O SER A 138 66.999 2.979 16.719 1.00 0.00 O ATOM 1190 CB SER A 138 67.490 2.795 13.960 1.00 0.00 C ATOM 1191 OG SER A 138 68.445 3.702 14.491 1.00 0.00 O ATOM 0 H SER A 138 65.695 5.115 15.132 1.00 0.00 H new ATOM 0 HA SER A 138 65.344 2.590 13.967 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.745 1.773 14.240 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.495 2.838 12.871 1.00 0.00 H new ATOM 0 HG SER A 138 68.345 4.574 14.056 1.00 0.00 H new ATOM 1197 N GLY A 139 64.867 2.335 16.420 1.00 0.00 N ATOM 1198 CA GLY A 139 64.686 1.976 17.823 1.00 0.00 C ATOM 1199 C GLY A 139 64.717 3.216 18.709 1.00 0.00 C ATOM 1200 O GLY A 139 65.040 3.136 19.894 1.00 0.00 O ATOM 0 H GLY A 139 64.046 2.188 15.832 1.00 0.00 H new ATOM 0 HA2 GLY A 139 63.736 1.457 17.950 1.00 0.00 H new ATOM 0 HA3 GLY A 139 65.471 1.285 18.130 1.00 0.00 H new ATOM 1204 N SER A 140 64.395 4.365 18.122 1.00 0.00 N ATOM 1205 CA SER A 140 64.404 5.620 18.864 1.00 0.00 C ATOM 1206 C SER A 140 65.782 5.875 19.475 1.00 0.00 C ATOM 1207 O SER A 140 65.919 6.666 20.407 1.00 0.00 O ATOM 1208 CB SER A 140 63.352 5.575 19.974 1.00 0.00 C ATOM 1209 OG SER A 140 62.065 5.405 19.396 1.00 0.00 O ATOM 0 H SER A 140 64.127 4.452 17.142 1.00 0.00 H new ATOM 0 HA SER A 140 64.171 6.431 18.173 1.00 0.00 H new ATOM 0 HB2 SER A 140 63.566 4.756 20.660 1.00 0.00 H new ATOM 0 HB3 SER A 140 63.383 6.495 20.557 1.00 0.00 H new ATOM 0 HG SER A 140 61.389 5.374 20.105 1.00 0.00 H new ATOM 1215 N LYS A 141 66.801 5.202 18.941 1.00 0.00 N ATOM 1216 CA LYS A 141 68.161 5.366 19.438 1.00 0.00 C ATOM 1217 C LYS A 141 68.672 6.778 19.167 1.00 0.00 C ATOM 1218 O LYS A 141 69.345 7.378 20.004 1.00 0.00 O ATOM 1219 CB LYS A 141 69.081 4.345 18.767 1.00 0.00 C ATOM 1220 CG LYS A 141 68.732 2.941 19.268 1.00 0.00 C ATOM 1221 CD LYS A 141 69.641 1.914 18.589 1.00 0.00 C ATOM 1222 CE LYS A 141 69.273 0.509 19.068 1.00 0.00 C ATOM 1223 NZ LYS A 141 69.526 0.399 20.533 1.00 0.00 N ATOM 0 H LYS A 141 66.709 4.542 18.169 1.00 0.00 H new ATOM 0 HA LYS A 141 68.157 5.203 20.516 1.00 0.00 H new ATOM 0 HB2 LYS A 141 68.970 4.395 17.684 1.00 0.00 H new ATOM 0 HB3 LYS A 141 70.123 4.575 18.991 1.00 0.00 H new ATOM 0 HG2 LYS A 141 68.853 2.889 20.350 1.00 0.00 H new ATOM 0 HG3 LYS A 141 67.687 2.716 19.053 1.00 0.00 H new ATOM 0 HD2 LYS A 141 69.536 1.979 17.506 1.00 0.00 H new ATOM 0 HD3 LYS A 141 70.685 2.127 18.821 1.00 0.00 H new ATOM 0 HE2 LYS A 141 68.224 0.303 18.853 1.00 0.00 H new ATOM 0 HE3 LYS A 141 69.860 -0.235 18.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 69.590 -0.604 20.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 70.419 0.878 20.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 68.745 0.847 21.055 1.00 0.00 H new ATOM 1237 N ALA A 142 68.347 7.299 17.988 1.00 0.00 N ATOM 1238 CA ALA A 142 68.776 8.639 17.605 1.00 0.00 C ATOM 1239 C ALA A 142 68.027 9.698 18.405 1.00 0.00 C ATOM 1240 O ALA A 142 66.874 9.498 18.790 1.00 0.00 O ATOM 1241 CB ALA A 142 68.536 8.858 16.111 1.00 0.00 C ATOM 0 H ALA A 142 67.790 6.815 17.284 1.00 0.00 H new ATOM 0 HA ALA A 142 69.841 8.730 17.819 1.00 0.00 H new ATOM 0 HB1 ALA A 142 68.859 9.861 15.834 1.00 0.00 H new ATOM 0 HB2 ALA A 142 69.103 8.123 15.540 1.00 0.00 H new ATOM 0 HB3 ALA A 142 67.474 8.746 15.893 1.00 0.00 H new ATOM 1247 N ALA A 143 68.686 10.825 18.648 1.00 0.00 N ATOM 1248 CA ALA A 143 68.069 11.911 19.400 1.00 0.00 C ATOM 1249 C ALA A 143 67.703 11.449 20.806 1.00 0.00 C ATOM 1250 O ALA A 143 66.604 11.716 21.291 1.00 0.00 O ATOM 1251 CB ALA A 143 66.813 12.399 18.677 1.00 0.00 C ATOM 0 H ALA A 143 69.640 11.010 18.338 1.00 0.00 H new ATOM 0 HA ALA A 143 68.785 12.729 19.474 1.00 0.00 H new ATOM 0 HB1 ALA A 143 66.358 13.210 19.245 1.00 0.00 H new ATOM 0 HB2 ALA A 143 67.081 12.758 17.683 1.00 0.00 H new ATOM 0 HB3 ALA A 143 66.103 11.577 18.586 1.00 0.00 H new ATOM 1257 N THR A 144 68.633 10.757 21.457 1.00 0.00 N ATOM 1258 CA THR A 144 68.395 10.266 22.810 1.00 0.00 C ATOM 1259 C THR A 144 68.202 11.434 23.770 1.00 0.00 C ATOM 1260 O THR A 144 68.992 12.378 23.783 1.00 0.00 O ATOM 1261 CB THR A 144 69.576 9.408 23.270 1.00 0.00 C ATOM 1262 OG1 THR A 144 69.713 8.292 22.403 1.00 0.00 O ATOM 1263 CG2 THR A 144 69.335 8.919 24.701 1.00 0.00 C ATOM 0 H THR A 144 69.550 10.525 21.074 1.00 0.00 H new ATOM 0 HA THR A 144 67.490 9.659 22.807 1.00 0.00 H new ATOM 0 HB THR A 144 70.488 10.005 23.244 1.00 0.00 H new ATOM 0 HG1 THR A 144 69.377 8.526 21.513 1.00 0.00 H new ATOM 0 HG21 THR A 144 70.178 8.309 25.024 1.00 0.00 H new ATOM 0 HG22 THR A 144 69.232 9.776 25.366 1.00 0.00 H new ATOM 0 HG23 THR A 144 68.423 8.323 24.733 1.00 0.00 H new ATOM 1271 N ASP A 145 67.143 11.367 24.570 1.00 0.00 N ATOM 1272 CA ASP A 145 66.853 12.428 25.524 1.00 0.00 C ATOM 1273 C ASP A 145 67.039 11.929 26.954 1.00 0.00 C ATOM 1274 O ASP A 145 66.117 12.081 27.739 1.00 0.00 O ATOM 1275 CB ASP A 145 65.415 12.913 25.333 1.00 0.00 C ATOM 1276 CG ASP A 145 65.287 13.648 24.003 1.00 0.00 C ATOM 1277 OD1 ASP A 145 66.310 14.027 23.457 1.00 0.00 O ATOM 1278 OD2 ASP A 145 64.168 13.814 23.546 1.00 0.00 O ATOM 1279 OXT ASP A 145 68.099 11.400 27.242 1.00 0.00 O ATOM 0 H ASP A 145 66.477 10.595 24.576 1.00 0.00 H new ATOM 0 HA ASP A 145 67.544 13.253 25.349 1.00 0.00 H new ATOM 0 HB2 ASP A 145 64.730 12.065 25.357 1.00 0.00 H new ATOM 0 HB3 ASP A 145 65.133 13.574 26.152 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.580 8.045 -6.429 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.364 0.530 1.360 1.00 0.00 ZN