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 Set 1.1: A 126 SER OG : rot 180:sc= 0.00457 USER MOD Set 1.2: A 127 LYS NZ :NH3+ -165:sc=-0.00683 (180deg=-0.253) USER MOD Single : A 64 HIS : no HD1:sc= -0.155 K(o=-0.15,f=-0.68) USER MOD Single : A 86 SER OG : rot 125:sc= -0.788 USER MOD Single : A 89 SER OG : rot -159:sc= 0.0187 USER MOD Single : A 101 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.2) USER MOD Single : A 102 SER OG : rot -107:sc= 0.461 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 123 GLN : amide:sc= -5.89 K(o=-5.9,f=-10!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -1.91 K(o=-1.9,f=-6.7!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -123:sc= -0.732 (180deg=-1.77!) USER MOD Single : A 138 SER OG : rot -79:sc= -1.21 USER MOD Single : A 140 SER OG : rot 180:sc= 0 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 60.303 1.344 20.155 1.00 0.00 N ATOM 2 CA GLY A 54 61.308 1.621 19.133 1.00 0.00 C ATOM 3 C GLY A 54 60.800 1.221 17.753 1.00 0.00 C ATOM 4 O GLY A 54 59.779 1.728 17.287 1.00 0.00 O ATOM 0 HA2 GLY A 54 61.558 2.682 19.140 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.224 1.076 19.360 1.00 0.00 H new ATOM 8 N GLY A 55 61.517 0.307 17.107 1.00 0.00 N ATOM 9 CA GLY A 55 61.125 -0.158 15.782 1.00 0.00 C ATOM 10 C GLY A 55 61.421 0.888 14.719 1.00 0.00 C ATOM 11 O GLY A 55 60.781 0.911 13.668 1.00 0.00 O ATOM 0 H GLY A 55 62.365 -0.123 17.476 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.656 -1.080 15.546 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.061 -0.393 15.777 1.00 0.00 H new ATOM 15 N ALA A 56 62.387 1.752 15.001 1.00 0.00 N ATOM 16 CA ALA A 56 62.752 2.803 14.062 1.00 0.00 C ATOM 17 C ALA A 56 61.573 3.743 13.832 1.00 0.00 C ATOM 18 O ALA A 56 60.562 3.362 13.243 1.00 0.00 O ATOM 19 CB ALA A 56 63.207 2.200 12.723 1.00 0.00 C ATOM 0 H ALA A 56 62.928 1.746 15.866 1.00 0.00 H new ATOM 0 HA ALA A 56 63.579 3.369 14.490 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.475 3.002 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.073 1.559 12.888 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.396 1.611 12.295 1.00 0.00 H new ATOM 25 N GLU A 57 61.721 4.981 14.286 1.00 0.00 N ATOM 26 CA GLU A 57 60.678 5.991 14.114 1.00 0.00 C ATOM 27 C GLU A 57 60.783 6.653 12.737 1.00 0.00 C ATOM 28 O GLU A 57 60.459 7.830 12.562 1.00 0.00 O ATOM 29 CB GLU A 57 60.801 7.062 15.190 1.00 0.00 C ATOM 30 CG GLU A 57 60.235 6.539 16.512 1.00 0.00 C ATOM 31 CD GLU A 57 61.253 5.642 17.209 1.00 0.00 C ATOM 32 OE1 GLU A 57 62.386 5.601 16.761 1.00 0.00 O ATOM 33 OE2 GLU A 57 60.882 5.007 18.182 1.00 0.00 O ATOM 0 H GLU A 57 62.552 5.312 14.776 1.00 0.00 H new ATOM 0 HA GLU A 57 59.712 5.493 14.198 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.846 7.343 15.318 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.264 7.960 14.884 1.00 0.00 H new ATOM 0 HG2 GLU A 57 59.975 7.376 17.160 1.00 0.00 H new ATOM 0 HG3 GLU A 57 59.317 5.982 16.327 1.00 0.00 H new ATOM 40 N ALA A 58 61.226 5.879 11.763 1.00 0.00 N ATOM 41 CA ALA A 58 61.374 6.364 10.403 1.00 0.00 C ATOM 42 C ALA A 58 60.038 6.798 9.820 1.00 0.00 C ATOM 43 O ALA A 58 59.986 7.444 8.777 1.00 0.00 O ATOM 44 CB ALA A 58 62.039 5.303 9.532 1.00 0.00 C ATOM 0 H ALA A 58 61.492 4.903 11.891 1.00 0.00 H new ATOM 0 HA ALA A 58 62.017 7.244 10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 58 62.144 5.680 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 58 63.024 5.067 9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.425 4.402 9.523 1.00 0.00 H new ATOM 50 N LEU A 59 58.965 6.455 10.509 1.00 0.00 N ATOM 51 CA LEU A 59 57.622 6.810 10.080 1.00 0.00 C ATOM 52 C LEU A 59 57.523 8.286 9.707 1.00 0.00 C ATOM 53 O LEU A 59 56.630 8.683 8.959 1.00 0.00 O ATOM 54 CB LEU A 59 56.668 6.535 11.224 1.00 0.00 C ATOM 55 CG LEU A 59 56.506 5.027 11.391 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.888 4.743 12.754 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.571 4.477 10.308 1.00 0.00 C ATOM 0 H LEU A 59 58.998 5.924 11.379 1.00 0.00 H new ATOM 0 HA LEU A 59 57.372 6.218 9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.049 6.976 12.145 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.701 6.997 11.026 1.00 0.00 H new ATOM 0 HG LEU A 59 57.483 4.551 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.768 3.667 12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.539 5.132 13.537 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.913 5.227 12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.461 3.400 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.595 4.954 10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.991 4.685 9.324 1.00 0.00 H new ATOM 69 N GLU A 60 58.434 9.093 10.228 1.00 0.00 N ATOM 70 CA GLU A 60 58.418 10.516 9.930 1.00 0.00 C ATOM 71 C GLU A 60 58.531 10.740 8.429 1.00 0.00 C ATOM 72 O GLU A 60 57.832 11.577 7.857 1.00 0.00 O ATOM 73 CB GLU A 60 59.589 11.198 10.632 1.00 0.00 C ATOM 74 CG GLU A 60 59.371 11.158 12.142 1.00 0.00 C ATOM 75 CD GLU A 60 58.220 12.082 12.526 1.00 0.00 C ATOM 76 OE1 GLU A 60 57.894 12.950 11.732 1.00 0.00 O ATOM 77 OE2 GLU A 60 57.680 11.908 13.606 1.00 0.00 O ATOM 0 H GLU A 60 59.184 8.793 10.851 1.00 0.00 H new ATOM 0 HA GLU A 60 57.478 10.940 10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 60 60.522 10.697 10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 60 59.678 12.230 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 60 59.152 10.139 12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 60 60.281 11.463 12.658 1.00 0.00 H new ATOM 84 N LEU A 61 59.407 9.977 7.802 1.00 0.00 N ATOM 85 CA LEU A 61 59.607 10.081 6.358 1.00 0.00 C ATOM 86 C LEU A 61 58.953 8.916 5.610 1.00 0.00 C ATOM 87 O LEU A 61 58.372 9.109 4.545 1.00 0.00 O ATOM 88 CB LEU A 61 61.099 10.115 6.051 1.00 0.00 C ATOM 89 CG LEU A 61 61.739 11.332 6.719 1.00 0.00 C ATOM 90 CD1 LEU A 61 63.245 11.298 6.501 1.00 0.00 C ATOM 91 CD2 LEU A 61 61.165 12.623 6.119 1.00 0.00 C ATOM 0 H LEU A 61 59.992 9.280 8.262 1.00 0.00 H new ATOM 0 HA LEU A 61 59.134 11.003 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 61.574 9.201 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 61 61.257 10.156 4.973 1.00 0.00 H new ATOM 0 HG LEU A 61 61.523 11.307 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 61 63.701 12.166 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 61 63.655 10.387 6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 61 63.458 11.317 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 61 61.627 13.485 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 61 61.373 12.651 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 61 60.087 12.651 6.280 1.00 0.00 H new ATOM 103 N LEU A 62 59.051 7.714 6.179 1.00 0.00 N ATOM 104 CA LEU A 62 58.477 6.520 5.581 1.00 0.00 C ATOM 105 C LEU A 62 58.593 5.359 6.560 1.00 0.00 C ATOM 106 O LEU A 62 57.657 5.087 7.301 1.00 0.00 O ATOM 107 CB LEU A 62 59.183 6.197 4.260 1.00 0.00 C ATOM 108 CG LEU A 62 58.248 6.536 3.104 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.065 7.003 1.898 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.441 5.294 2.723 1.00 0.00 C ATOM 0 H LEU A 62 59.530 7.547 7.064 1.00 0.00 H new ATOM 0 HA LEU A 62 57.423 6.692 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 62 60.107 6.769 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.456 5.142 4.227 1.00 0.00 H new ATOM 0 HG LEU A 62 57.570 7.333 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.393 7.244 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.640 7.889 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.746 6.209 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.772 5.534 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.121 4.497 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.855 4.964 3.581 1.00 0.00 H new ATOM 122 N GLU A 63 59.755 4.707 6.558 1.00 0.00 N ATOM 123 CA GLU A 63 60.049 3.585 7.445 1.00 0.00 C ATOM 124 C GLU A 63 61.305 2.844 6.991 1.00 0.00 C ATOM 125 O GLU A 63 62.388 3.047 7.541 1.00 0.00 O ATOM 126 CB GLU A 63 58.880 2.621 7.496 1.00 0.00 C ATOM 127 CG GLU A 63 58.196 2.728 8.856 1.00 0.00 C ATOM 128 CD GLU A 63 57.651 1.365 9.273 1.00 0.00 C ATOM 129 OE1 GLU A 63 56.779 0.860 8.586 1.00 0.00 O ATOM 130 OE2 GLU A 63 58.117 0.844 10.274 1.00 0.00 O ATOM 0 H GLU A 63 60.526 4.946 5.934 1.00 0.00 H new ATOM 0 HA GLU A 63 60.221 3.989 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.171 2.849 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.227 1.601 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.904 3.089 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.385 3.455 8.808 1.00 0.00 H new ATOM 137 N HIS A 64 61.154 1.980 5.987 1.00 0.00 N ATOM 138 CA HIS A 64 62.275 1.212 5.472 1.00 0.00 C ATOM 139 C HIS A 64 62.681 1.732 4.100 1.00 0.00 C ATOM 140 O HIS A 64 61.988 2.554 3.501 1.00 0.00 O ATOM 141 CB HIS A 64 61.894 -0.266 5.367 1.00 0.00 C ATOM 142 CG HIS A 64 60.583 -0.398 4.664 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.397 -0.474 5.367 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.244 -0.472 3.336 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.408 -0.590 4.477 1.00 0.00 C ATOM 146 NE2 HIS A 64 58.863 -0.594 3.220 1.00 0.00 N ATOM 0 H HIS A 64 60.266 1.798 5.519 1.00 0.00 H new ATOM 0 HA HIS A 64 63.115 1.319 6.158 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.665 -0.813 4.825 1.00 0.00 H new ATOM 0 HB3 HIS A 64 61.830 -0.707 6.362 1.00 0.00 H new ATOM 0 HD2 HIS A 64 60.940 -0.440 2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.364 -0.671 4.742 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.316 -0.670 2.362 1.00 0.00 H new ATOM 154 N CYS A 65 63.810 1.250 3.621 1.00 0.00 N ATOM 155 CA CYS A 65 64.328 1.661 2.325 1.00 0.00 C ATOM 156 C CYS A 65 63.764 0.797 1.203 1.00 0.00 C ATOM 157 O CYS A 65 63.587 -0.396 1.369 1.00 0.00 O ATOM 158 CB CYS A 65 65.843 1.553 2.337 1.00 0.00 C ATOM 159 SG CYS A 65 66.458 1.833 0.664 1.00 0.00 S ATOM 0 H CYS A 65 64.391 0.570 4.110 1.00 0.00 H new ATOM 0 HA CYS A 65 64.024 2.692 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.268 2.285 3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.149 0.569 2.692 1.00 0.00 H new ATOM 164 N GLY A 66 63.475 1.418 0.063 1.00 0.00 N ATOM 165 CA GLY A 66 62.928 0.697 -1.087 1.00 0.00 C ATOM 166 C GLY A 66 63.937 -0.288 -1.693 1.00 0.00 C ATOM 167 O GLY A 66 63.569 -1.376 -2.133 1.00 0.00 O ATOM 0 H GLY A 66 63.609 2.417 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.034 0.154 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.621 1.413 -1.849 1.00 0.00 H new ATOM 171 N VAL A 67 65.198 0.123 -1.750 1.00 0.00 N ATOM 172 CA VAL A 67 66.260 -0.690 -2.344 1.00 0.00 C ATOM 173 C VAL A 67 66.468 -2.026 -1.623 1.00 0.00 C ATOM 174 O VAL A 67 66.760 -3.037 -2.259 1.00 0.00 O ATOM 175 CB VAL A 67 67.569 0.101 -2.328 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.718 -0.799 -2.783 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.453 1.298 -3.276 1.00 0.00 C ATOM 0 H VAL A 67 65.515 1.023 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 67 65.954 -0.921 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 67 67.765 0.455 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.650 -0.234 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 67 68.802 -1.651 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.523 -1.155 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.385 1.862 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.255 0.943 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.636 1.942 -2.951 1.00 0.00 H new ATOM 187 N CYS A 68 66.354 -2.022 -0.301 1.00 0.00 N ATOM 188 CA CYS A 68 66.571 -3.245 0.481 1.00 0.00 C ATOM 189 C CYS A 68 65.262 -3.765 1.061 1.00 0.00 C ATOM 190 O CYS A 68 65.120 -4.954 1.349 1.00 0.00 O ATOM 191 CB CYS A 68 67.560 -2.980 1.626 1.00 0.00 C ATOM 192 SG CYS A 68 68.047 -1.232 1.651 1.00 0.00 S ATOM 0 H CYS A 68 66.116 -1.199 0.252 1.00 0.00 H new ATOM 0 HA CYS A 68 66.983 -3.998 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 68 67.104 -3.251 2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 68 68.443 -3.608 1.505 1.00 0.00 H new ATOM 197 N ARG A 69 64.314 -2.860 1.227 1.00 0.00 N ATOM 198 CA ARG A 69 63.005 -3.202 1.772 1.00 0.00 C ATOM 199 C ARG A 69 63.149 -3.651 3.213 1.00 0.00 C ATOM 200 O ARG A 69 62.397 -4.496 3.699 1.00 0.00 O ATOM 201 CB ARG A 69 62.348 -4.305 0.936 1.00 0.00 C ATOM 202 CG ARG A 69 62.673 -4.086 -0.552 1.00 0.00 C ATOM 203 CD ARG A 69 61.429 -4.272 -1.415 1.00 0.00 C ATOM 204 NE ARG A 69 61.453 -5.576 -2.067 1.00 0.00 N ATOM 205 CZ ARG A 69 62.185 -5.804 -3.160 1.00 0.00 C ATOM 206 NH1 ARG A 69 62.921 -4.856 -3.683 1.00 0.00 N ATOM 207 NH2 ARG A 69 62.167 -6.984 -3.713 1.00 0.00 N ATOM 0 H ARG A 69 64.424 -1.874 0.991 1.00 0.00 H new ATOM 0 HA ARG A 69 62.368 -2.318 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 69 62.708 -5.282 1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.269 -4.297 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 69 63.074 -3.083 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.446 -4.787 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 69 60.534 -4.183 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 69 61.378 -3.484 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 69 60.895 -6.335 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 69 62.940 -3.930 -3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 69 63.476 -5.043 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 69 61.596 -7.727 -3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 69 62.724 -7.164 -4.548 1.00 0.00 H new ATOM 221 N GLU A 70 64.117 -3.058 3.891 1.00 0.00 N ATOM 222 CA GLU A 70 64.367 -3.368 5.283 1.00 0.00 C ATOM 223 C GLU A 70 64.423 -2.093 6.088 1.00 0.00 C ATOM 224 O GLU A 70 64.809 -1.036 5.588 1.00 0.00 O ATOM 225 CB GLU A 70 65.672 -4.143 5.433 1.00 0.00 C ATOM 226 CG GLU A 70 65.550 -5.475 4.694 1.00 0.00 C ATOM 227 CD GLU A 70 64.398 -6.291 5.272 1.00 0.00 C ATOM 228 OE1 GLU A 70 64.290 -6.347 6.486 1.00 0.00 O ATOM 229 OE2 GLU A 70 63.639 -6.843 4.493 1.00 0.00 O ATOM 0 H GLU A 70 64.743 -2.357 3.496 1.00 0.00 H new ATOM 0 HA GLU A 70 63.553 -3.991 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 70 66.502 -3.563 5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 70 65.887 -4.316 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 70 65.383 -5.297 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 70 66.482 -6.034 4.780 1.00 0.00 H new ATOM 236 N ARG A 71 64.015 -2.202 7.333 1.00 0.00 N ATOM 237 CA ARG A 71 63.992 -1.063 8.216 1.00 0.00 C ATOM 238 C ARG A 71 65.338 -0.370 8.239 1.00 0.00 C ATOM 239 O ARG A 71 66.381 -0.998 8.071 1.00 0.00 O ATOM 240 CB ARG A 71 63.603 -1.524 9.609 1.00 0.00 C ATOM 241 CG ARG A 71 62.947 -0.372 10.365 1.00 0.00 C ATOM 242 CD ARG A 71 61.716 -0.902 11.083 1.00 0.00 C ATOM 243 NE ARG A 71 60.745 -1.376 10.106 1.00 0.00 N ATOM 244 CZ ARG A 71 59.630 -2.007 10.469 1.00 0.00 C ATOM 245 NH1 ARG A 71 59.359 -2.217 11.732 1.00 0.00 N ATOM 246 NH2 ARG A 71 58.804 -2.428 9.550 1.00 0.00 N ATOM 0 H ARG A 71 63.694 -3.073 7.756 1.00 0.00 H new ATOM 0 HA ARG A 71 63.258 -0.343 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 71 62.916 -2.368 9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.485 -1.871 10.148 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.647 0.058 11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 71 62.669 0.424 9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.996 -1.713 11.755 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.275 -0.117 11.697 1.00 0.00 H new ATOM 0 HE ARG A 71 60.925 -1.220 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 71 60.006 -1.896 12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 71 58.501 -2.702 11.996 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.015 -2.273 8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 71 57.947 -2.912 9.818 1.00 0.00 H new ATOM 260 N LEU A 72 65.298 0.939 8.424 1.00 0.00 N ATOM 261 CA LEU A 72 66.511 1.735 8.443 1.00 0.00 C ATOM 262 C LEU A 72 67.300 1.500 9.730 1.00 0.00 C ATOM 263 O LEU A 72 66.833 1.817 10.822 1.00 0.00 O ATOM 264 CB LEU A 72 66.129 3.214 8.324 1.00 0.00 C ATOM 265 CG LEU A 72 65.383 3.445 7.003 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.793 4.864 6.979 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.349 3.264 5.822 1.00 0.00 C ATOM 0 H LEU A 72 64.439 1.471 8.563 1.00 0.00 H new ATOM 0 HA LEU A 72 67.145 1.442 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.501 3.507 9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.023 3.836 8.363 1.00 0.00 H new ATOM 0 HG LEU A 72 64.574 2.720 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.265 5.022 6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.098 4.983 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.597 5.594 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.815 3.429 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.165 3.982 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.754 2.252 5.835 1.00 0.00 H new ATOM 279 N ARG A 73 68.507 0.955 9.582 1.00 0.00 N ATOM 280 CA ARG A 73 69.380 0.693 10.727 1.00 0.00 C ATOM 281 C ARG A 73 70.027 1.986 11.205 1.00 0.00 C ATOM 282 O ARG A 73 70.066 2.973 10.472 1.00 0.00 O ATOM 283 CB ARG A 73 70.485 -0.300 10.362 1.00 0.00 C ATOM 284 CG ARG A 73 69.948 -1.728 10.415 1.00 0.00 C ATOM 285 CD ARG A 73 69.277 -2.078 9.091 1.00 0.00 C ATOM 286 NE ARG A 73 68.753 -3.440 9.143 1.00 0.00 N ATOM 287 CZ ARG A 73 69.555 -4.505 9.045 1.00 0.00 C ATOM 288 NH1 ARG A 73 70.846 -4.357 8.901 1.00 0.00 N ATOM 289 NH2 ARG A 73 69.048 -5.706 9.099 1.00 0.00 N ATOM 0 H ARG A 73 68.903 0.686 8.681 1.00 0.00 H new ATOM 0 HA ARG A 73 68.763 0.268 11.519 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.864 -0.083 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 73 71.323 -0.193 11.051 1.00 0.00 H new ATOM 0 HG2 ARG A 73 70.762 -2.425 10.616 1.00 0.00 H new ATOM 0 HG3 ARG A 73 69.234 -1.827 11.232 1.00 0.00 H new ATOM 0 HD2 ARG A 73 68.469 -1.376 8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 73 69.994 -1.986 8.275 1.00 0.00 H new ATOM 0 HE ARG A 73 67.749 -3.582 9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 73 71.251 -3.422 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 73 71.448 -5.177 8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 73 68.042 -5.830 9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 73 69.657 -6.521 9.024 1.00 0.00 H new ATOM 303 N PRO A 74 70.536 2.007 12.411 1.00 0.00 N ATOM 304 CA PRO A 74 71.192 3.223 12.973 1.00 0.00 C ATOM 305 C PRO A 74 72.370 3.675 12.114 1.00 0.00 C ATOM 306 O PRO A 74 72.568 4.868 11.887 1.00 0.00 O ATOM 307 CB PRO A 74 71.664 2.781 14.362 1.00 0.00 C ATOM 308 CG PRO A 74 70.843 1.583 14.694 1.00 0.00 C ATOM 309 CD PRO A 74 70.555 0.890 13.368 1.00 0.00 C ATOM 0 HA PRO A 74 70.515 4.077 13.008 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.727 2.540 14.358 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.519 3.573 15.097 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.378 0.919 15.373 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.918 1.870 15.193 1.00 0.00 H new ATOM 0 HD2 PRO A 74 71.323 0.158 13.119 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.603 0.359 13.388 1.00 0.00 H new ATOM 317 N GLU A 75 73.138 2.702 11.630 1.00 0.00 N ATOM 318 CA GLU A 75 74.291 2.991 10.779 1.00 0.00 C ATOM 319 C GLU A 75 73.898 3.018 9.302 1.00 0.00 C ATOM 320 O GLU A 75 74.753 3.192 8.430 1.00 0.00 O ATOM 321 CB GLU A 75 75.402 1.964 10.991 1.00 0.00 C ATOM 322 CG GLU A 75 74.821 0.562 10.891 1.00 0.00 C ATOM 323 CD GLU A 75 75.944 -0.462 10.774 1.00 0.00 C ATOM 324 OE1 GLU A 75 77.090 -0.048 10.693 1.00 0.00 O ATOM 325 OE2 GLU A 75 75.645 -1.645 10.767 1.00 0.00 O ATOM 0 H GLU A 75 72.984 1.710 11.811 1.00 0.00 H new ATOM 0 HA GLU A 75 74.659 3.977 11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 75 76.184 2.099 10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.865 2.109 11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 75 74.213 0.348 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 75 74.163 0.493 10.024 1.00 0.00 H new ATOM 332 N ARG A 76 72.614 2.824 9.021 1.00 0.00 N ATOM 333 CA ARG A 76 72.139 2.808 7.644 1.00 0.00 C ATOM 334 C ARG A 76 72.280 4.168 6.987 1.00 0.00 C ATOM 335 O ARG A 76 72.348 4.272 5.762 1.00 0.00 O ATOM 336 CB ARG A 76 70.664 2.456 7.623 1.00 0.00 C ATOM 337 CG ARG A 76 70.301 1.909 6.240 1.00 0.00 C ATOM 338 CD ARG A 76 69.683 0.520 6.374 1.00 0.00 C ATOM 339 NE ARG A 76 70.101 -0.334 5.266 1.00 0.00 N ATOM 340 CZ ARG A 76 69.658 -1.586 5.140 1.00 0.00 C ATOM 341 NH1 ARG A 76 68.830 -2.096 6.018 1.00 0.00 N ATOM 342 NH2 ARG A 76 70.053 -2.311 4.129 1.00 0.00 N ATOM 0 H ARG A 76 71.889 2.677 9.723 1.00 0.00 H new ATOM 0 HA ARG A 76 72.739 2.076 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.443 1.715 8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.064 3.337 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.600 2.582 5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 76 71.192 1.861 5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 76 69.984 0.071 7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 76 68.596 0.599 6.390 1.00 0.00 H new ATOM 0 HE ARG A 76 70.749 0.036 4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 76 68.516 -1.534 6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 76 68.499 -3.055 5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 76 70.697 -1.920 3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 76 69.718 -3.269 4.027 1.00 0.00 H new ATOM 356 N GLU A 77 72.295 5.210 7.798 1.00 0.00 N ATOM 357 CA GLU A 77 72.394 6.554 7.270 1.00 0.00 C ATOM 358 C GLU A 77 71.325 6.775 6.217 1.00 0.00 C ATOM 359 O GLU A 77 71.610 6.861 5.025 1.00 0.00 O ATOM 360 CB GLU A 77 73.765 6.779 6.656 1.00 0.00 C ATOM 361 CG GLU A 77 73.960 8.273 6.386 1.00 0.00 C ATOM 362 CD GLU A 77 75.369 8.527 5.862 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.286 8.536 6.666 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.510 8.703 4.662 1.00 0.00 O ATOM 0 H GLU A 77 72.240 5.151 8.815 1.00 0.00 H new ATOM 0 HA GLU A 77 72.250 7.261 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.542 6.415 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.857 6.215 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.225 8.619 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.795 8.841 7.301 1.00 0.00 H new ATOM 371 N PRO A 78 70.106 6.852 6.644 1.00 0.00 N ATOM 372 CA PRO A 78 68.945 7.053 5.737 1.00 0.00 C ATOM 373 C PRO A 78 68.937 8.459 5.146 1.00 0.00 C ATOM 374 O PRO A 78 69.476 9.393 5.737 1.00 0.00 O ATOM 375 CB PRO A 78 67.740 6.820 6.650 1.00 0.00 C ATOM 376 CG PRO A 78 68.227 7.156 8.019 1.00 0.00 C ATOM 377 CD PRO A 78 69.696 6.763 8.050 1.00 0.00 C ATOM 0 HA PRO A 78 68.958 6.386 4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 78 66.899 7.451 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.396 5.787 6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.103 8.219 8.227 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.662 6.614 8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.278 7.435 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.834 5.756 8.445 1.00 0.00 H new ATOM 385 N ARG A 79 68.334 8.601 3.975 1.00 0.00 N ATOM 386 CA ARG A 79 68.275 9.901 3.312 1.00 0.00 C ATOM 387 C ARG A 79 66.998 10.025 2.495 1.00 0.00 C ATOM 388 O ARG A 79 66.232 9.073 2.392 1.00 0.00 O ATOM 389 CB ARG A 79 69.485 10.076 2.397 1.00 0.00 C ATOM 390 CG ARG A 79 70.240 11.348 2.778 1.00 0.00 C ATOM 391 CD ARG A 79 71.707 11.226 2.362 1.00 0.00 C ATOM 392 NE ARG A 79 72.548 11.087 3.548 1.00 0.00 N ATOM 393 CZ ARG A 79 73.866 11.289 3.505 1.00 0.00 C ATOM 394 NH1 ARG A 79 74.461 11.611 2.386 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.566 11.171 4.599 1.00 0.00 N ATOM 0 H ARG A 79 67.882 7.842 3.466 1.00 0.00 H new ATOM 0 HA ARG A 79 68.283 10.678 4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.144 9.212 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.162 10.131 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 79 69.785 12.211 2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.170 11.515 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 79 71.839 10.364 1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.007 12.106 1.793 1.00 0.00 H new ATOM 0 HE ARG A 79 72.115 10.828 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 79 73.916 11.711 1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 79 75.470 11.762 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.105 10.927 5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.574 11.323 4.578 1.00 0.00 H new ATOM 409 N LEU A 80 66.766 11.207 1.927 1.00 0.00 N ATOM 410 CA LEU A 80 65.559 11.435 1.135 1.00 0.00 C ATOM 411 C LEU A 80 65.900 11.965 -0.259 1.00 0.00 C ATOM 412 O LEU A 80 66.805 12.780 -0.422 1.00 0.00 O ATOM 413 CB LEU A 80 64.660 12.446 1.846 1.00 0.00 C ATOM 414 CG LEU A 80 63.278 12.447 1.206 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.540 11.179 1.611 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.499 13.675 1.683 1.00 0.00 C ATOM 0 H LEU A 80 67.389 12.012 1.999 1.00 0.00 H new ATOM 0 HA LEU A 80 65.043 10.481 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.581 12.195 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.099 13.442 1.787 1.00 0.00 H new ATOM 0 HG LEU A 80 63.372 12.481 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.550 11.173 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.100 10.308 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.441 11.146 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.509 13.678 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.398 13.643 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.034 14.580 1.395 1.00 0.00 H new ATOM 428 N LEU A 81 65.167 11.499 -1.268 1.00 0.00 N ATOM 429 CA LEU A 81 65.402 11.948 -2.636 1.00 0.00 C ATOM 430 C LEU A 81 64.367 12.996 -3.052 1.00 0.00 C ATOM 431 O LEU A 81 63.336 13.165 -2.402 1.00 0.00 O ATOM 432 CB LEU A 81 65.342 10.763 -3.603 1.00 0.00 C ATOM 433 CG LEU A 81 66.741 10.456 -4.139 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.674 10.089 -2.982 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.657 9.279 -5.111 1.00 0.00 C ATOM 0 H LEU A 81 64.414 10.819 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 81 66.394 12.398 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 81 64.938 9.888 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.669 10.991 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 81 67.133 11.335 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.669 9.872 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.732 10.923 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.286 9.210 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.651 9.054 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.264 8.405 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 81 65.996 9.537 -5.938 1.00 0.00 H new ATOM 447 N PRO A 82 64.625 13.690 -4.131 1.00 0.00 N ATOM 448 CA PRO A 82 63.709 14.744 -4.669 1.00 0.00 C ATOM 449 C PRO A 82 62.362 14.169 -5.105 1.00 0.00 C ATOM 450 O PRO A 82 61.391 14.905 -5.284 1.00 0.00 O ATOM 451 CB PRO A 82 64.457 15.315 -5.880 1.00 0.00 C ATOM 452 CG PRO A 82 65.863 14.836 -5.764 1.00 0.00 C ATOM 453 CD PRO A 82 65.817 13.539 -4.968 1.00 0.00 C ATOM 0 HA PRO A 82 63.478 15.493 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.006 14.975 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 82 64.416 16.404 -5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 82 66.298 14.670 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.484 15.577 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 82 65.740 12.670 -5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 82 66.716 13.406 -4.366 1.00 0.00 H new ATOM 461 N CYS A 83 62.318 12.853 -5.270 1.00 0.00 N ATOM 462 CA CYS A 83 61.099 12.176 -5.679 1.00 0.00 C ATOM 463 C CYS A 83 60.243 11.852 -4.466 1.00 0.00 C ATOM 464 O CYS A 83 59.115 11.375 -4.604 1.00 0.00 O ATOM 465 CB CYS A 83 61.452 10.891 -6.431 1.00 0.00 C ATOM 466 SG CYS A 83 62.424 9.817 -5.349 1.00 0.00 S ATOM 0 H CYS A 83 63.116 12.234 -5.126 1.00 0.00 H new ATOM 0 HA CYS A 83 60.532 12.834 -6.338 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.543 10.380 -6.749 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.017 11.127 -7.333 1.00 0.00 H new ATOM 471 N LEU A 84 60.802 12.118 -3.280 1.00 0.00 N ATOM 472 CA LEU A 84 60.124 11.874 -2.020 1.00 0.00 C ATOM 473 C LEU A 84 60.169 10.407 -1.658 1.00 0.00 C ATOM 474 O LEU A 84 59.166 9.807 -1.273 1.00 0.00 O ATOM 475 CB LEU A 84 58.674 12.368 -2.062 1.00 0.00 C ATOM 476 CG LEU A 84 58.288 12.983 -0.716 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.840 13.471 -0.787 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.418 11.924 0.383 1.00 0.00 C ATOM 0 H LEU A 84 61.738 12.509 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 84 60.651 12.437 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.556 13.107 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.006 11.539 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 84 58.947 13.821 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.557 13.911 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.747 14.220 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.183 12.630 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.143 12.361 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.756 11.087 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.448 11.570 0.427 1.00 0.00 H new ATOM 490 N HIS A 85 61.354 9.845 -1.758 1.00 0.00 N ATOM 491 CA HIS A 85 61.554 8.455 -1.416 1.00 0.00 C ATOM 492 C HIS A 85 62.734 8.336 -0.479 1.00 0.00 C ATOM 493 O HIS A 85 63.848 8.745 -0.808 1.00 0.00 O ATOM 494 CB HIS A 85 61.812 7.640 -2.669 1.00 0.00 C ATOM 495 CG HIS A 85 60.576 7.641 -3.527 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.626 7.487 -4.900 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.247 7.779 -3.216 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.364 7.540 -5.362 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.484 7.718 -4.377 1.00 0.00 N ATOM 0 H HIS A 85 62.194 10.330 -2.074 1.00 0.00 H new ATOM 0 HA HIS A 85 60.657 8.074 -0.927 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.653 8.059 -3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.083 6.618 -2.403 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.853 7.915 -2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.096 7.449 -6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.470 7.793 -4.457 1.00 0.00 H new ATOM 507 N SER A 86 62.486 7.780 0.684 1.00 0.00 N ATOM 508 CA SER A 86 63.545 7.615 1.665 1.00 0.00 C ATOM 509 C SER A 86 64.278 6.307 1.423 1.00 0.00 C ATOM 510 O SER A 86 63.663 5.281 1.129 1.00 0.00 O ATOM 511 CB SER A 86 62.974 7.609 3.075 1.00 0.00 C ATOM 512 OG SER A 86 62.221 8.796 3.289 1.00 0.00 O ATOM 0 H SER A 86 61.572 7.436 0.977 1.00 0.00 H new ATOM 0 HA SER A 86 64.237 8.451 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.341 6.734 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 86 63.781 7.541 3.805 1.00 0.00 H new ATOM 0 HG SER A 86 61.314 8.561 3.576 1.00 0.00 H new ATOM 518 N ALA A 87 65.591 6.352 1.545 1.00 0.00 N ATOM 519 CA ALA A 87 66.404 5.159 1.336 1.00 0.00 C ATOM 520 C ALA A 87 67.755 5.286 2.031 1.00 0.00 C ATOM 521 O ALA A 87 68.147 6.368 2.456 1.00 0.00 O ATOM 522 CB ALA A 87 66.609 4.912 -0.163 1.00 0.00 C ATOM 0 H ALA A 87 66.118 7.192 1.785 1.00 0.00 H new ATOM 0 HA ALA A 87 65.874 4.311 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.217 4.019 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.641 4.772 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.114 5.769 -0.607 1.00 0.00 H new ATOM 528 N CYS A 88 68.457 4.168 2.139 1.00 0.00 N ATOM 529 CA CYS A 88 69.765 4.154 2.778 1.00 0.00 C ATOM 530 C CYS A 88 70.761 4.909 1.907 1.00 0.00 C ATOM 531 O CYS A 88 70.735 4.776 0.696 1.00 0.00 O ATOM 532 CB CYS A 88 70.245 2.714 2.946 1.00 0.00 C ATOM 533 SG CYS A 88 68.857 1.652 3.407 1.00 0.00 S ATOM 0 H CYS A 88 68.144 3.261 1.794 1.00 0.00 H new ATOM 0 HA CYS A 88 69.689 4.629 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.692 2.360 2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.020 2.667 3.711 1.00 0.00 H new ATOM 538 N SER A 89 71.639 5.693 2.512 1.00 0.00 N ATOM 539 CA SER A 89 72.604 6.446 1.727 1.00 0.00 C ATOM 540 C SER A 89 73.423 5.505 0.852 1.00 0.00 C ATOM 541 O SER A 89 73.651 5.786 -0.323 1.00 0.00 O ATOM 542 CB SER A 89 73.531 7.239 2.648 1.00 0.00 C ATOM 543 OG SER A 89 74.478 7.950 1.862 1.00 0.00 O ATOM 0 H SER A 89 71.704 5.824 3.522 1.00 0.00 H new ATOM 0 HA SER A 89 72.062 7.142 1.086 1.00 0.00 H new ATOM 0 HB2 SER A 89 72.951 7.933 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.044 6.565 3.335 1.00 0.00 H new ATOM 0 HG SER A 89 75.255 8.179 2.414 1.00 0.00 H new ATOM 549 N ALA A 90 73.846 4.379 1.411 1.00 0.00 N ATOM 550 CA ALA A 90 74.610 3.416 0.628 1.00 0.00 C ATOM 551 C ALA A 90 73.754 2.925 -0.534 1.00 0.00 C ATOM 552 O ALA A 90 74.237 2.775 -1.656 1.00 0.00 O ATOM 553 CB ALA A 90 75.033 2.233 1.500 1.00 0.00 C ATOM 0 H ALA A 90 73.679 4.113 2.381 1.00 0.00 H new ATOM 0 HA ALA A 90 75.509 3.899 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.602 1.524 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.652 2.591 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.147 1.740 1.900 1.00 0.00 H new ATOM 559 N CYS A 91 72.469 2.697 -0.255 1.00 0.00 N ATOM 560 CA CYS A 91 71.538 2.251 -1.276 1.00 0.00 C ATOM 561 C CYS A 91 71.249 3.386 -2.261 1.00 0.00 C ATOM 562 O CYS A 91 70.833 3.147 -3.393 1.00 0.00 O ATOM 563 CB CYS A 91 70.245 1.760 -0.622 1.00 0.00 C ATOM 564 SG CYS A 91 70.593 0.220 0.267 1.00 0.00 S ATOM 0 H CYS A 91 72.056 2.816 0.670 1.00 0.00 H new ATOM 0 HA CYS A 91 71.984 1.424 -1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 91 69.859 2.514 0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.478 1.595 -1.379 1.00 0.00 H new ATOM 569 N LEU A 92 71.473 4.622 -1.814 1.00 0.00 N ATOM 570 CA LEU A 92 71.242 5.791 -2.656 1.00 0.00 C ATOM 571 C LEU A 92 72.414 6.038 -3.607 1.00 0.00 C ATOM 572 O LEU A 92 72.260 6.715 -4.621 1.00 0.00 O ATOM 573 CB LEU A 92 71.014 7.031 -1.788 1.00 0.00 C ATOM 574 CG LEU A 92 69.648 6.938 -1.096 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.499 8.080 -0.095 1.00 0.00 C ATOM 576 CD2 LEU A 92 68.535 7.025 -2.136 1.00 0.00 C ATOM 0 H LEU A 92 71.813 4.837 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 92 70.353 5.596 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 92 71.805 7.114 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.060 7.930 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 92 69.578 5.985 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.528 8.010 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 92 70.288 8.013 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.575 9.034 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 92 67.567 6.958 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 92 68.606 7.975 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 92 68.636 6.204 -2.846 1.00 0.00 H new ATOM 588 N GLY A 93 73.583 5.498 -3.283 1.00 0.00 N ATOM 589 CA GLY A 93 74.756 5.690 -4.141 1.00 0.00 C ATOM 590 C GLY A 93 74.518 5.140 -5.553 1.00 0.00 C ATOM 591 O GLY A 93 74.670 5.867 -6.536 1.00 0.00 O ATOM 0 H GLY A 93 73.748 4.933 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 93 74.995 6.752 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.618 5.193 -3.697 1.00 0.00 H new ATOM 595 N PRO A 94 74.116 3.895 -5.672 1.00 0.00 N ATOM 596 CA PRO A 94 73.811 3.268 -6.997 1.00 0.00 C ATOM 597 C PRO A 94 72.740 4.046 -7.759 1.00 0.00 C ATOM 598 O PRO A 94 72.599 3.904 -8.975 1.00 0.00 O ATOM 599 CB PRO A 94 73.303 1.872 -6.632 1.00 0.00 C ATOM 600 CG PRO A 94 73.886 1.590 -5.291 1.00 0.00 C ATOM 601 CD PRO A 94 73.934 2.934 -4.574 1.00 0.00 C ATOM 0 HA PRO A 94 74.682 3.252 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 94 72.214 1.843 -6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 94 73.622 1.131 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 94 73.276 0.874 -4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 94 74.883 1.157 -5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.016 3.127 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 94 74.755 2.980 -3.859 1.00 0.00 H new ATOM 609 N ALA A 95 71.981 4.861 -7.031 1.00 0.00 N ATOM 610 CA ALA A 95 70.915 5.651 -7.630 1.00 0.00 C ATOM 611 C ALA A 95 71.473 6.574 -8.712 1.00 0.00 C ATOM 612 O ALA A 95 70.840 6.782 -9.747 1.00 0.00 O ATOM 613 CB ALA A 95 70.221 6.481 -6.545 1.00 0.00 C ATOM 0 H ALA A 95 72.086 4.990 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 95 70.194 4.976 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.423 7.072 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 95 69.800 5.815 -5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.946 7.146 -6.076 1.00 0.00 H new ATOM 619 N ALA A 96 72.655 7.130 -8.471 1.00 0.00 N ATOM 620 CA ALA A 96 73.271 8.027 -9.442 1.00 0.00 C ATOM 621 C ALA A 96 74.235 7.263 -10.363 1.00 0.00 C ATOM 622 O ALA A 96 74.873 6.306 -9.925 1.00 0.00 O ATOM 623 CB ALA A 96 74.038 9.127 -8.707 1.00 0.00 C ATOM 0 H ALA A 96 73.200 6.978 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 96 72.482 8.466 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.498 9.797 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.350 9.691 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.813 8.678 -8.086 1.00 0.00 H new ATOM 629 N PRO A 97 74.377 7.667 -11.616 1.00 0.00 N ATOM 630 CA PRO A 97 75.311 6.997 -12.579 1.00 0.00 C ATOM 631 C PRO A 97 76.761 7.015 -12.098 1.00 0.00 C ATOM 632 O PRO A 97 77.586 6.223 -12.553 1.00 0.00 O ATOM 633 CB PRO A 97 75.177 7.816 -13.869 1.00 0.00 C ATOM 634 CG PRO A 97 73.871 8.521 -13.755 1.00 0.00 C ATOM 635 CD PRO A 97 73.663 8.786 -12.266 1.00 0.00 C ATOM 0 HA PRO A 97 75.058 5.944 -12.702 1.00 0.00 H new ATOM 0 HB2 PRO A 97 75.999 8.525 -13.972 1.00 0.00 H new ATOM 0 HB3 PRO A 97 75.200 7.172 -14.748 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.881 9.453 -14.319 1.00 0.00 H new ATOM 0 HG3 PRO A 97 73.062 7.912 -14.159 1.00 0.00 H new ATOM 0 HD2 PRO A 97 74.073 9.751 -11.969 1.00 0.00 H new ATOM 0 HD3 PRO A 97 72.605 8.794 -12.003 1.00 0.00 H new ATOM 643 N ALA A 98 77.066 7.933 -11.190 1.00 0.00 N ATOM 644 CA ALA A 98 78.423 8.059 -10.668 1.00 0.00 C ATOM 645 C ALA A 98 78.872 6.760 -10.008 1.00 0.00 C ATOM 646 O ALA A 98 80.027 6.355 -10.138 1.00 0.00 O ATOM 647 CB ALA A 98 78.481 9.197 -9.650 1.00 0.00 C ATOM 0 H ALA A 98 76.398 8.598 -10.801 1.00 0.00 H new ATOM 0 HA ALA A 98 79.093 8.276 -11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.496 9.287 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.192 10.131 -10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 98 77.797 8.985 -8.828 1.00 0.00 H new ATOM 653 N ALA A 99 77.957 6.108 -9.303 1.00 0.00 N ATOM 654 CA ALA A 99 78.280 4.854 -8.630 1.00 0.00 C ATOM 655 C ALA A 99 78.717 3.801 -9.646 1.00 0.00 C ATOM 656 O ALA A 99 78.229 3.770 -10.774 1.00 0.00 O ATOM 657 CB ALA A 99 77.059 4.348 -7.863 1.00 0.00 C ATOM 0 H ALA A 99 76.994 6.421 -9.182 1.00 0.00 H new ATOM 0 HA ALA A 99 79.099 5.034 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 99 77.306 3.412 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 99 76.763 5.089 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 99 76.236 4.182 -8.558 1.00 0.00 H new ATOM 663 N ALA A 100 79.644 2.940 -9.234 1.00 0.00 N ATOM 664 CA ALA A 100 80.146 1.890 -10.115 1.00 0.00 C ATOM 665 C ALA A 100 79.016 0.958 -10.542 1.00 0.00 C ATOM 666 O ALA A 100 78.960 0.523 -11.692 1.00 0.00 O ATOM 667 CB ALA A 100 81.234 1.084 -9.403 1.00 0.00 C ATOM 0 H ALA A 100 80.060 2.948 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 100 80.566 2.361 -11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 100 81.602 0.303 -10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 100 82.056 1.745 -9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.820 0.629 -8.503 1.00 0.00 H new ATOM 673 N ASN A 101 78.118 0.653 -9.610 1.00 0.00 N ATOM 674 CA ASN A 101 76.996 -0.228 -9.909 1.00 0.00 C ATOM 675 C ASN A 101 75.867 0.557 -10.569 1.00 0.00 C ATOM 676 O ASN A 101 74.913 0.967 -9.910 1.00 0.00 O ATOM 677 CB ASN A 101 76.486 -0.878 -8.622 1.00 0.00 C ATOM 678 CG ASN A 101 75.551 -2.035 -8.957 1.00 0.00 C ATOM 679 OD1 ASN A 101 75.787 -2.766 -9.919 1.00 0.00 O ATOM 680 ND2 ASN A 101 74.496 -2.246 -8.217 1.00 0.00 N ATOM 0 H ASN A 101 78.145 0.999 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 101 77.336 -1.004 -10.595 1.00 0.00 H new ATOM 0 HB2 ASN A 101 77.327 -1.239 -8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 101 75.962 -0.140 -8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 101 73.866 -3.018 -8.436 1.00 0.00 H new ATOM 0 HD22 ASN A 101 74.302 -1.639 -7.420 1.00 0.00 H new ATOM 687 N SER A 102 75.988 0.764 -11.877 1.00 0.00 N ATOM 688 CA SER A 102 74.979 1.507 -12.623 1.00 0.00 C ATOM 689 C SER A 102 75.009 1.117 -14.097 1.00 0.00 C ATOM 690 O SER A 102 75.957 0.483 -14.562 1.00 0.00 O ATOM 691 CB SER A 102 75.228 3.008 -12.485 1.00 0.00 C ATOM 692 OG SER A 102 76.449 3.340 -13.134 1.00 0.00 O ATOM 0 H SER A 102 76.771 0.430 -12.439 1.00 0.00 H new ATOM 0 HA SER A 102 73.998 1.263 -12.214 1.00 0.00 H new ATOM 0 HB2 SER A 102 74.403 3.568 -12.926 1.00 0.00 H new ATOM 0 HB3 SER A 102 75.274 3.286 -11.432 1.00 0.00 H new ATOM 0 HG SER A 102 77.136 3.528 -12.461 1.00 0.00 H new ATOM 698 N SER A 103 73.967 1.498 -14.830 1.00 0.00 N ATOM 699 CA SER A 103 73.891 1.181 -16.251 1.00 0.00 C ATOM 700 C SER A 103 73.498 2.418 -17.053 1.00 0.00 C ATOM 701 O SER A 103 72.870 3.337 -16.528 1.00 0.00 O ATOM 702 CB SER A 103 72.861 0.075 -16.482 1.00 0.00 C ATOM 703 OG SER A 103 71.576 0.539 -16.088 1.00 0.00 O ATOM 0 H SER A 103 73.171 2.022 -14.467 1.00 0.00 H new ATOM 0 HA SER A 103 74.872 0.841 -16.583 1.00 0.00 H new ATOM 0 HB2 SER A 103 72.850 -0.213 -17.533 1.00 0.00 H new ATOM 0 HB3 SER A 103 73.130 -0.813 -15.911 1.00 0.00 H new ATOM 0 HG SER A 103 70.913 -0.168 -16.237 1.00 0.00 H new ATOM 709 N GLY A 104 73.876 2.434 -18.327 1.00 0.00 N ATOM 710 CA GLY A 104 73.563 3.566 -19.193 1.00 0.00 C ATOM 711 C GLY A 104 72.056 3.752 -19.328 1.00 0.00 C ATOM 712 O GLY A 104 71.557 4.877 -19.315 1.00 0.00 O ATOM 0 H GLY A 104 74.396 1.682 -18.780 1.00 0.00 H new ATOM 0 HA2 GLY A 104 74.010 4.473 -18.787 1.00 0.00 H new ATOM 0 HA3 GLY A 104 74.003 3.407 -20.178 1.00 0.00 H new ATOM 716 N ASP A 105 71.336 2.642 -19.459 1.00 0.00 N ATOM 717 CA ASP A 105 69.886 2.699 -19.596 1.00 0.00 C ATOM 718 C ASP A 105 69.492 3.665 -20.709 1.00 0.00 C ATOM 719 O ASP A 105 68.599 4.495 -20.536 1.00 0.00 O ATOM 720 CB ASP A 105 69.254 3.149 -18.278 1.00 0.00 C ATOM 721 CG ASP A 105 67.744 2.940 -18.325 1.00 0.00 C ATOM 722 OD1 ASP A 105 67.235 2.675 -19.401 1.00 0.00 O ATOM 723 OD2 ASP A 105 67.119 3.047 -17.283 1.00 0.00 O ATOM 0 H ASP A 105 71.729 1.701 -19.473 1.00 0.00 H new ATOM 0 HA ASP A 105 69.523 1.703 -19.850 1.00 0.00 H new ATOM 0 HB2 ASP A 105 69.682 2.585 -17.449 1.00 0.00 H new ATOM 0 HB3 ASP A 105 69.478 4.200 -18.098 1.00 0.00 H new ATOM 728 N GLY A 106 70.166 3.555 -21.850 1.00 0.00 N ATOM 729 CA GLY A 106 69.877 4.431 -22.981 1.00 0.00 C ATOM 730 C GLY A 106 70.473 5.814 -22.755 1.00 0.00 C ATOM 731 O GLY A 106 71.325 5.998 -21.885 1.00 0.00 O ATOM 0 H GLY A 106 70.908 2.876 -22.016 1.00 0.00 H new ATOM 0 HA2 GLY A 106 70.284 3.999 -23.895 1.00 0.00 H new ATOM 0 HA3 GLY A 106 68.799 4.512 -23.119 1.00 0.00 H new ATOM 735 N GLY A 107 70.021 6.788 -23.539 1.00 0.00 N ATOM 736 CA GLY A 107 70.523 8.150 -23.402 1.00 0.00 C ATOM 737 C GLY A 107 69.574 8.994 -22.559 1.00 0.00 C ATOM 738 O GLY A 107 68.420 9.208 -22.931 1.00 0.00 O ATOM 0 H GLY A 107 69.317 6.662 -24.267 1.00 0.00 H new ATOM 0 HA2 GLY A 107 71.510 8.134 -22.940 1.00 0.00 H new ATOM 0 HA3 GLY A 107 70.639 8.600 -24.388 1.00 0.00 H new ATOM 742 N ALA A 108 70.067 9.470 -21.421 1.00 0.00 N ATOM 743 CA ALA A 108 69.256 10.290 -20.531 1.00 0.00 C ATOM 744 C ALA A 108 70.142 11.159 -19.645 1.00 0.00 C ATOM 745 O ALA A 108 71.287 10.805 -19.359 1.00 0.00 O ATOM 746 CB ALA A 108 68.375 9.397 -19.656 1.00 0.00 C ATOM 0 H ALA A 108 71.019 9.303 -21.095 1.00 0.00 H new ATOM 0 HA ALA A 108 68.625 10.938 -21.140 1.00 0.00 H new ATOM 0 HB1 ALA A 108 67.772 10.018 -18.994 1.00 0.00 H new ATOM 0 HB2 ALA A 108 67.720 8.799 -20.290 1.00 0.00 H new ATOM 0 HB3 ALA A 108 69.005 8.736 -19.060 1.00 0.00 H new ATOM 752 N ALA A 109 69.609 12.296 -19.212 1.00 0.00 N ATOM 753 CA ALA A 109 70.362 13.206 -18.358 1.00 0.00 C ATOM 754 C ALA A 109 70.648 12.563 -17.005 1.00 0.00 C ATOM 755 O ALA A 109 69.809 11.846 -16.457 1.00 0.00 O ATOM 756 CB ALA A 109 69.578 14.501 -18.149 1.00 0.00 C ATOM 0 H ALA A 109 68.664 12.608 -19.437 1.00 0.00 H new ATOM 0 HA ALA A 109 71.309 13.429 -18.850 1.00 0.00 H new ATOM 0 HB1 ALA A 109 70.150 15.173 -17.510 1.00 0.00 H new ATOM 0 HB2 ALA A 109 69.402 14.979 -19.113 1.00 0.00 H new ATOM 0 HB3 ALA A 109 68.622 14.275 -17.676 1.00 0.00 H new ATOM 762 N GLY A 110 71.834 12.828 -16.471 1.00 0.00 N ATOM 763 CA GLY A 110 72.220 12.275 -15.180 1.00 0.00 C ATOM 764 C GLY A 110 73.713 12.461 -14.937 1.00 0.00 C ATOM 765 O GLY A 110 74.403 13.091 -15.736 1.00 0.00 O ATOM 0 H GLY A 110 72.541 13.419 -16.909 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.654 12.763 -14.386 1.00 0.00 H new ATOM 0 HA3 GLY A 110 71.970 11.215 -15.144 1.00 0.00 H new ATOM 769 N ASP A 111 74.195 11.908 -13.827 1.00 0.00 N ATOM 770 CA ASP A 111 75.612 12.007 -13.474 1.00 0.00 C ATOM 771 C ASP A 111 75.981 13.438 -13.095 1.00 0.00 C ATOM 772 O ASP A 111 76.573 14.170 -13.889 1.00 0.00 O ATOM 773 CB ASP A 111 76.491 11.546 -14.640 1.00 0.00 C ATOM 774 CG ASP A 111 77.904 11.250 -14.147 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.078 11.133 -12.944 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.790 11.148 -14.977 1.00 0.00 O ATOM 0 H ASP A 111 73.629 11.388 -13.157 1.00 0.00 H new ATOM 0 HA ASP A 111 75.785 11.359 -12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.063 10.654 -15.098 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.520 12.317 -15.410 1.00 0.00 H new ATOM 781 N GLY A 112 75.602 13.835 -11.884 1.00 0.00 N ATOM 782 CA GLY A 112 75.864 15.182 -11.408 1.00 0.00 C ATOM 783 C GLY A 112 74.573 15.975 -11.387 1.00 0.00 C ATOM 784 O GLY A 112 74.472 17.005 -10.720 1.00 0.00 O ATOM 0 H GLY A 112 75.112 13.239 -11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.297 15.147 -10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.593 15.671 -12.054 1.00 0.00 H new ATOM 788 N THR A 113 73.582 15.474 -12.111 1.00 0.00 N ATOM 789 CA THR A 113 72.292 16.118 -12.168 1.00 0.00 C ATOM 790 C THR A 113 71.227 15.220 -11.542 1.00 0.00 C ATOM 791 O THR A 113 71.331 14.867 -10.367 1.00 0.00 O ATOM 792 CB THR A 113 71.964 16.483 -13.620 1.00 0.00 C ATOM 793 OG1 THR A 113 71.928 15.301 -14.407 1.00 0.00 O ATOM 794 CG2 THR A 113 73.034 17.431 -14.161 1.00 0.00 C ATOM 0 H THR A 113 73.654 14.621 -12.666 1.00 0.00 H new ATOM 0 HA THR A 113 72.312 17.042 -11.590 1.00 0.00 H new ATOM 0 HB THR A 113 70.992 16.975 -13.663 1.00 0.00 H new ATOM 0 HG1 THR A 113 71.717 15.533 -15.336 1.00 0.00 H new ATOM 0 HG21 THR A 113 72.801 17.691 -15.194 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.057 18.337 -13.555 1.00 0.00 H new ATOM 0 HG23 THR A 113 74.007 16.942 -14.120 1.00 0.00 H new ATOM 802 N VAL A 114 70.208 14.854 -12.305 1.00 0.00 N ATOM 803 CA VAL A 114 69.156 14.010 -11.777 1.00 0.00 C ATOM 804 C VAL A 114 69.717 12.650 -11.383 1.00 0.00 C ATOM 805 O VAL A 114 70.597 12.109 -12.052 1.00 0.00 O ATOM 806 CB VAL A 114 68.068 13.832 -12.832 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.721 15.187 -13.444 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.577 12.895 -13.929 1.00 0.00 C ATOM 0 H VAL A 114 70.091 15.126 -13.281 1.00 0.00 H new ATOM 0 HA VAL A 114 68.732 14.484 -10.892 1.00 0.00 H new ATOM 0 HB VAL A 114 67.178 13.406 -12.368 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.944 15.058 -14.197 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.362 15.858 -12.663 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.609 15.614 -13.909 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.802 12.765 -14.685 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.466 13.324 -14.391 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.826 11.927 -13.494 1.00 0.00 H new ATOM 818 N VAL A 115 69.200 12.108 -10.296 1.00 0.00 N ATOM 819 CA VAL A 115 69.644 10.814 -9.807 1.00 0.00 C ATOM 820 C VAL A 115 68.574 9.771 -10.074 1.00 0.00 C ATOM 821 O VAL A 115 67.406 9.979 -9.753 1.00 0.00 O ATOM 822 CB VAL A 115 69.902 10.892 -8.309 1.00 0.00 C ATOM 823 CG1 VAL A 115 70.379 9.531 -7.798 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.961 11.960 -8.028 1.00 0.00 C ATOM 0 H VAL A 115 68.470 12.544 -9.733 1.00 0.00 H new ATOM 0 HA VAL A 115 70.563 10.536 -10.323 1.00 0.00 H new ATOM 0 HB VAL A 115 68.980 11.160 -7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 115 70.563 9.589 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.614 8.780 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 115 71.300 9.253 -8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 115 71.146 12.016 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.886 11.699 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.607 12.927 -8.386 1.00 0.00 H new ATOM 834 N ASP A 116 68.961 8.653 -10.668 1.00 0.00 N ATOM 835 CA ASP A 116 67.988 7.612 -10.965 1.00 0.00 C ATOM 836 C ASP A 116 67.597 6.887 -9.687 1.00 0.00 C ATOM 837 O ASP A 116 68.441 6.360 -8.969 1.00 0.00 O ATOM 838 CB ASP A 116 68.544 6.609 -11.973 1.00 0.00 C ATOM 839 CG ASP A 116 69.055 7.334 -13.215 1.00 0.00 C ATOM 840 OD1 ASP A 116 68.318 8.142 -13.755 1.00 0.00 O ATOM 841 OD2 ASP A 116 70.180 7.070 -13.606 1.00 0.00 O ATOM 0 H ASP A 116 69.919 8.445 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 116 67.109 8.087 -11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 116 69.353 6.037 -11.519 1.00 0.00 H new ATOM 0 HB3 ASP A 116 67.768 5.896 -12.253 1.00 0.00 H new ATOM 846 N CYS A 117 66.304 6.880 -9.422 1.00 0.00 N ATOM 847 CA CYS A 117 65.753 6.241 -8.238 1.00 0.00 C ATOM 848 C CYS A 117 65.049 4.962 -8.653 1.00 0.00 C ATOM 849 O CYS A 117 64.262 5.000 -9.557 1.00 0.00 O ATOM 850 CB CYS A 117 64.729 7.186 -7.631 1.00 0.00 C ATOM 851 SG CYS A 117 64.235 6.606 -5.991 1.00 0.00 S ATOM 0 H CYS A 117 65.604 7.317 -10.021 1.00 0.00 H new ATOM 0 HA CYS A 117 66.542 6.014 -7.522 1.00 0.00 H new ATOM 0 HB2 CYS A 117 65.148 8.190 -7.558 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.855 7.252 -8.279 1.00 0.00 H new ATOM 856 N PRO A 118 65.286 3.833 -8.065 1.00 0.00 N ATOM 857 CA PRO A 118 64.594 2.594 -8.519 1.00 0.00 C ATOM 858 C PRO A 118 63.072 2.665 -8.382 1.00 0.00 C ATOM 859 O PRO A 118 62.364 1.794 -8.884 1.00 0.00 O ATOM 860 CB PRO A 118 65.192 1.492 -7.636 1.00 0.00 C ATOM 861 CG PRO A 118 65.719 2.205 -6.436 1.00 0.00 C ATOM 862 CD PRO A 118 66.190 3.569 -6.936 1.00 0.00 C ATOM 0 HA PRO A 118 64.748 2.419 -9.584 1.00 0.00 H new ATOM 0 HB2 PRO A 118 64.438 0.756 -7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.985 0.955 -8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.946 2.313 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.540 1.651 -5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 118 66.106 4.334 -6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 118 67.233 3.546 -7.250 1.00 0.00 H new ATOM 870 N VAL A 119 62.571 3.691 -7.703 1.00 0.00 N ATOM 871 CA VAL A 119 61.126 3.823 -7.522 1.00 0.00 C ATOM 872 C VAL A 119 60.476 4.543 -8.712 1.00 0.00 C ATOM 873 O VAL A 119 59.428 4.125 -9.198 1.00 0.00 O ATOM 874 CB VAL A 119 60.830 4.589 -6.237 1.00 0.00 C ATOM 875 CG1 VAL A 119 59.342 4.453 -5.903 1.00 0.00 C ATOM 876 CG2 VAL A 119 61.670 4.017 -5.094 1.00 0.00 C ATOM 0 H VAL A 119 63.129 4.431 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 119 60.704 2.820 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 119 61.079 5.642 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 119 59.124 4.999 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.747 4.863 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 119 59.094 3.400 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.457 4.565 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.424 2.965 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.728 4.113 -5.337 1.00 0.00 H new ATOM 886 N CYS A 120 61.105 5.622 -9.177 1.00 0.00 N ATOM 887 CA CYS A 120 60.577 6.380 -10.320 1.00 0.00 C ATOM 888 C CYS A 120 61.591 6.397 -11.457 1.00 0.00 C ATOM 889 O CYS A 120 61.236 6.444 -12.635 1.00 0.00 O ATOM 890 CB CYS A 120 60.276 7.820 -9.910 1.00 0.00 C ATOM 891 SG CYS A 120 61.386 8.333 -8.569 1.00 0.00 S ATOM 0 H CYS A 120 61.972 5.991 -8.787 1.00 0.00 H new ATOM 0 HA CYS A 120 59.660 5.894 -10.652 1.00 0.00 H new ATOM 0 HB2 CYS A 120 60.398 8.483 -10.767 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.239 7.905 -9.586 1.00 0.00 H new ATOM 896 N LYS A 121 62.856 6.340 -11.074 1.00 0.00 N ATOM 897 CA LYS A 121 63.968 6.323 -12.018 1.00 0.00 C ATOM 898 C LYS A 121 64.049 7.633 -12.797 1.00 0.00 C ATOM 899 O LYS A 121 64.416 7.646 -13.971 1.00 0.00 O ATOM 900 CB LYS A 121 63.823 5.146 -12.990 1.00 0.00 C ATOM 901 CG LYS A 121 63.565 3.836 -12.232 1.00 0.00 C ATOM 902 CD LYS A 121 64.807 2.923 -12.253 1.00 0.00 C ATOM 903 CE LYS A 121 66.071 3.706 -11.864 1.00 0.00 C ATOM 904 NZ LYS A 121 67.132 2.756 -11.423 1.00 0.00 N ATOM 0 H LYS A 121 63.145 6.304 -10.096 1.00 0.00 H new ATOM 0 HA LYS A 121 64.890 6.206 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 121 63.002 5.339 -13.680 1.00 0.00 H new ATOM 0 HB3 LYS A 121 64.728 5.051 -13.590 1.00 0.00 H new ATOM 0 HG2 LYS A 121 63.292 4.058 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 121 62.720 3.314 -12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 121 64.663 2.091 -11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 121 64.932 2.495 -13.248 1.00 0.00 H new ATOM 0 HE2 LYS A 121 66.423 4.292 -12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 121 65.843 4.410 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 67.986 3.287 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 66.794 2.215 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 67.357 2.102 -12.199 1.00 0.00 H new ATOM 918 N GLN A 122 63.716 8.736 -12.129 1.00 0.00 N ATOM 919 CA GLN A 122 63.768 10.050 -12.760 1.00 0.00 C ATOM 920 C GLN A 122 63.721 11.149 -11.701 1.00 0.00 C ATOM 921 O GLN A 122 62.788 11.213 -10.901 1.00 0.00 O ATOM 922 CB GLN A 122 62.600 10.216 -13.730 1.00 0.00 C ATOM 923 CG GLN A 122 62.676 11.592 -14.399 1.00 0.00 C ATOM 924 CD GLN A 122 61.496 11.761 -15.355 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.348 11.539 -14.967 1.00 0.00 O ATOM 926 NE2 GLN A 122 61.705 12.140 -16.587 1.00 0.00 N ATOM 0 H GLN A 122 63.409 8.745 -11.156 1.00 0.00 H new ATOM 0 HA GLN A 122 64.704 10.132 -13.313 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.628 9.431 -14.486 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.655 10.112 -13.197 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.660 12.377 -13.643 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.615 11.692 -14.943 1.00 0.00 H new ATOM 0 HE21 GLN A 122 62.655 12.324 -16.910 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.918 12.252 -17.227 1.00 0.00 H new ATOM 935 N GLN A 123 64.730 12.012 -11.703 1.00 0.00 N ATOM 936 CA GLN A 123 64.797 13.107 -10.739 1.00 0.00 C ATOM 937 C GLN A 123 64.792 14.448 -11.460 1.00 0.00 C ATOM 938 O GLN A 123 65.098 14.519 -12.646 1.00 0.00 O ATOM 939 CB GLN A 123 66.063 12.976 -9.889 1.00 0.00 C ATOM 940 CG GLN A 123 65.692 12.614 -8.446 1.00 0.00 C ATOM 941 CD GLN A 123 65.029 11.241 -8.394 1.00 0.00 C ATOM 942 OE1 GLN A 123 65.002 10.524 -9.389 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.494 10.831 -7.281 1.00 0.00 N ATOM 0 H GLN A 123 65.511 11.976 -12.358 1.00 0.00 H new ATOM 0 HA GLN A 123 63.923 13.056 -10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.715 12.210 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.620 13.913 -9.906 1.00 0.00 H new ATOM 0 HG2 GLN A 123 66.586 12.617 -7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.017 13.366 -8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 123 64.517 11.428 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 123 64.052 9.913 -7.235 1.00 0.00 H new ATOM 952 N CYS A 124 64.433 15.508 -10.743 1.00 0.00 N ATOM 953 CA CYS A 124 64.394 16.834 -11.348 1.00 0.00 C ATOM 954 C CYS A 124 65.759 17.508 -11.251 1.00 0.00 C ATOM 955 O CYS A 124 66.335 17.916 -12.259 1.00 0.00 O ATOM 956 CB CYS A 124 63.344 17.697 -10.645 1.00 0.00 C ATOM 957 SG CYS A 124 61.709 16.952 -10.858 1.00 0.00 S ATOM 0 H CYS A 124 64.169 15.477 -9.758 1.00 0.00 H new ATOM 0 HA CYS A 124 64.130 16.726 -12.400 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.580 17.784 -9.584 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.352 18.706 -11.057 1.00 0.00 H new ATOM 0 HG CYS A 124 60.817 17.684 -10.259 1.00 0.00 H new ATOM 963 N PHE A 125 66.275 17.618 -10.029 1.00 0.00 N ATOM 964 CA PHE A 125 67.575 18.240 -9.814 1.00 0.00 C ATOM 965 C PHE A 125 68.329 17.531 -8.701 1.00 0.00 C ATOM 966 O PHE A 125 67.807 16.615 -8.065 1.00 0.00 O ATOM 967 CB PHE A 125 67.410 19.707 -9.427 1.00 0.00 C ATOM 968 CG PHE A 125 66.423 20.362 -10.365 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.132 20.674 -9.921 1.00 0.00 C ATOM 970 CD2 PHE A 125 66.797 20.651 -11.683 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.215 21.271 -10.795 1.00 0.00 C ATOM 972 CE2 PHE A 125 65.881 21.251 -12.556 1.00 0.00 C ATOM 973 CZ PHE A 125 64.590 21.559 -12.113 1.00 0.00 C ATOM 0 H PHE A 125 65.816 17.287 -9.180 1.00 0.00 H new ATOM 0 HA PHE A 125 68.135 18.165 -10.746 1.00 0.00 H new ATOM 0 HB2 PHE A 125 67.059 19.786 -8.398 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.371 20.219 -9.477 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.843 20.454 -8.904 1.00 0.00 H new ATOM 0 HD2 PHE A 125 67.792 20.411 -12.027 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.219 21.509 -10.453 1.00 0.00 H new ATOM 0 HE2 PHE A 125 66.171 21.476 -13.572 1.00 0.00 H new ATOM 0 HZ PHE A 125 63.883 22.019 -12.788 1.00 0.00 H new ATOM 983 N SER A 126 69.554 17.972 -8.463 1.00 0.00 N ATOM 984 CA SER A 126 70.370 17.388 -7.417 1.00 0.00 C ATOM 985 C SER A 126 70.385 18.274 -6.176 1.00 0.00 C ATOM 986 O SER A 126 71.347 18.280 -5.408 1.00 0.00 O ATOM 987 CB SER A 126 71.792 17.184 -7.914 1.00 0.00 C ATOM 988 OG SER A 126 72.254 18.382 -8.521 1.00 0.00 O ATOM 0 H SER A 126 70.001 18.730 -8.979 1.00 0.00 H new ATOM 0 HA SER A 126 69.936 16.424 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 126 72.443 16.909 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.825 16.364 -8.631 1.00 0.00 H new ATOM 0 HG SER A 126 73.171 18.254 -8.841 1.00 0.00 H new ATOM 994 N LYS A 127 69.323 19.039 -6.000 1.00 0.00 N ATOM 995 CA LYS A 127 69.218 19.938 -4.857 1.00 0.00 C ATOM 996 C LYS A 127 68.591 19.236 -3.651 1.00 0.00 C ATOM 997 O LYS A 127 68.861 19.595 -2.506 1.00 0.00 O ATOM 998 CB LYS A 127 68.373 21.148 -5.229 1.00 0.00 C ATOM 999 CG LYS A 127 68.898 21.769 -6.526 1.00 0.00 C ATOM 1000 CD LYS A 127 70.354 22.209 -6.356 1.00 0.00 C ATOM 1001 CE LYS A 127 70.822 22.886 -7.643 1.00 0.00 C ATOM 1002 NZ LYS A 127 70.958 21.862 -8.718 1.00 0.00 N ATOM 0 H LYS A 127 68.521 19.059 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 127 70.225 20.254 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.331 20.851 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.402 21.884 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 127 68.822 21.047 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.283 22.625 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 127 70.444 22.896 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 127 70.984 21.348 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 127 70.109 23.653 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 127 71.777 23.386 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 71.508 22.258 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 71.446 21.025 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 70.014 21.588 -9.058 1.00 0.00 H new ATOM 1016 N ASP A 128 67.738 18.247 -3.913 1.00 0.00 N ATOM 1017 CA ASP A 128 67.062 17.525 -2.833 1.00 0.00 C ATOM 1018 C ASP A 128 67.530 16.074 -2.746 1.00 0.00 C ATOM 1019 O ASP A 128 66.822 15.220 -2.213 1.00 0.00 O ATOM 1020 CB ASP A 128 65.549 17.554 -3.065 1.00 0.00 C ATOM 1021 CG ASP A 128 64.810 17.354 -1.745 1.00 0.00 C ATOM 1022 OD1 ASP A 128 65.472 17.162 -0.739 1.00 0.00 O ATOM 1023 OD2 ASP A 128 63.591 17.397 -1.761 1.00 0.00 O ATOM 0 H ASP A 128 67.499 17.929 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 128 67.311 18.020 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.260 18.506 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 128 65.267 16.772 -3.770 1.00 0.00 H new ATOM 1028 N ILE A 129 68.720 15.803 -3.266 1.00 0.00 N ATOM 1029 CA ILE A 129 69.263 14.448 -3.236 1.00 0.00 C ATOM 1030 C ILE A 129 69.993 14.183 -1.928 1.00 0.00 C ATOM 1031 O ILE A 129 69.902 14.980 -0.994 1.00 0.00 O ATOM 1032 CB ILE A 129 70.223 14.232 -4.403 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.320 15.294 -4.351 1.00 0.00 C ATOM 1034 CG2 ILE A 129 69.457 14.333 -5.716 1.00 0.00 C ATOM 1035 CD1 ILE A 129 72.420 14.959 -5.359 1.00 0.00 C ATOM 0 H ILE A 129 69.324 16.495 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 129 68.427 13.753 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 129 70.676 13.243 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 129 70.899 16.275 -4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 129 71.740 15.346 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 129 70.142 14.179 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 129 68.677 13.572 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.003 15.321 -5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.198 15.721 -5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 129 72.850 13.987 -5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 129 71.997 14.930 -6.363 1.00 0.00 H new ATOM 1047 N VAL A 130 70.708 13.051 -1.873 1.00 0.00 N ATOM 1048 CA VAL A 130 71.451 12.671 -0.682 1.00 0.00 C ATOM 1049 C VAL A 130 72.179 13.874 -0.111 1.00 0.00 C ATOM 1050 O VAL A 130 73.161 14.329 -0.681 1.00 0.00 O ATOM 1051 CB VAL A 130 72.462 11.572 -1.024 1.00 0.00 C ATOM 1052 CG1 VAL A 130 71.746 10.221 -1.067 1.00 0.00 C ATOM 1053 CG2 VAL A 130 73.099 11.855 -2.392 1.00 0.00 C ATOM 0 H VAL A 130 70.782 12.388 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 130 70.749 12.295 0.062 1.00 0.00 H new ATOM 0 HB VAL A 130 73.242 11.552 -0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 130 72.463 9.437 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 130 71.299 10.015 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 130 70.965 10.247 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 130 73.817 11.070 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 130 72.323 11.880 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.610 12.817 -2.363 1.00 0.00 H new ATOM 1063 N GLU A 131 71.657 14.377 1.007 1.00 0.00 N ATOM 1064 CA GLU A 131 72.210 15.550 1.684 1.00 0.00 C ATOM 1065 C GLU A 131 71.250 16.068 2.738 1.00 0.00 C ATOM 1066 O GLU A 131 71.648 16.793 3.649 1.00 0.00 O ATOM 1067 CB GLU A 131 72.417 16.678 0.693 1.00 0.00 C ATOM 1068 CG GLU A 131 73.900 16.801 0.367 1.00 0.00 C ATOM 1069 CD GLU A 131 74.085 17.412 -1.016 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.224 18.173 -1.427 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.085 17.109 -1.647 1.00 0.00 O ATOM 0 H GLU A 131 70.838 13.983 1.470 1.00 0.00 H new ATOM 0 HA GLU A 131 73.152 15.244 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 131 71.848 16.486 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.046 17.615 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.394 17.420 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.371 15.819 0.405 1.00 0.00 H new ATOM 1078 N ASN A 132 69.974 15.739 2.586 1.00 0.00 N ATOM 1079 CA ASN A 132 68.984 16.234 3.512 1.00 0.00 C ATOM 1080 C ASN A 132 68.671 15.195 4.584 1.00 0.00 C ATOM 1081 O ASN A 132 67.598 15.225 5.187 1.00 0.00 O ATOM 1082 CB ASN A 132 67.706 16.602 2.762 1.00 0.00 C ATOM 1083 CG ASN A 132 66.968 15.345 2.352 1.00 0.00 C ATOM 1084 OD1 ASN A 132 66.214 14.786 3.147 1.00 0.00 O ATOM 1085 ND2 ASN A 132 67.148 14.860 1.157 1.00 0.00 N ATOM 0 H ASN A 132 69.612 15.142 1.842 1.00 0.00 H new ATOM 0 HA ASN A 132 69.388 17.121 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.068 17.219 3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.949 17.195 1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 132 66.662 14.009 0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 132 67.775 15.331 0.505 1.00 0.00 H new ATOM 1092 N TYR A 133 69.612 14.272 4.800 1.00 0.00 N ATOM 1093 CA TYR A 133 69.447 13.213 5.779 1.00 0.00 C ATOM 1094 C TYR A 133 68.802 13.734 7.060 1.00 0.00 C ATOM 1095 O TYR A 133 69.113 14.830 7.527 1.00 0.00 O ATOM 1096 CB TYR A 133 70.819 12.617 6.094 1.00 0.00 C ATOM 1097 CG TYR A 133 71.559 13.501 7.065 1.00 0.00 C ATOM 1098 CD1 TYR A 133 71.557 13.184 8.421 1.00 0.00 C ATOM 1099 CD2 TYR A 133 72.243 14.633 6.607 1.00 0.00 C ATOM 1100 CE1 TYR A 133 72.242 13.996 9.332 1.00 0.00 C ATOM 1101 CE2 TYR A 133 72.929 15.448 7.516 1.00 0.00 C ATOM 1102 CZ TYR A 133 72.928 15.128 8.880 1.00 0.00 C ATOM 1103 OH TYR A 133 73.604 15.931 9.777 1.00 0.00 O ATOM 0 H TYR A 133 70.501 14.244 4.301 1.00 0.00 H new ATOM 0 HA TYR A 133 68.788 12.450 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 133 70.702 11.619 6.516 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.397 12.509 5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.026 12.311 8.770 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.242 14.877 5.555 1.00 0.00 H new ATOM 0 HE1 TYR A 133 72.241 13.749 10.383 1.00 0.00 H new ATOM 0 HE2 TYR A 133 73.458 16.322 7.166 1.00 0.00 H new ATOM 0 HH TYR A 133 74.027 16.674 9.297 1.00 0.00 H new ATOM 1113 N PHE A 134 67.891 12.942 7.614 1.00 0.00 N ATOM 1114 CA PHE A 134 67.199 13.330 8.833 1.00 0.00 C ATOM 1115 C PHE A 134 67.737 12.532 10.018 1.00 0.00 C ATOM 1116 O PHE A 134 68.826 11.962 9.944 1.00 0.00 O ATOM 1117 CB PHE A 134 65.693 13.097 8.655 1.00 0.00 C ATOM 1118 CG PHE A 134 64.955 14.405 8.802 1.00 0.00 C ATOM 1119 CD1 PHE A 134 64.157 14.877 7.754 1.00 0.00 C ATOM 1120 CD2 PHE A 134 65.069 15.148 9.985 1.00 0.00 C ATOM 1121 CE1 PHE A 134 63.471 16.090 7.888 1.00 0.00 C ATOM 1122 CE2 PHE A 134 64.383 16.361 10.118 1.00 0.00 C ATOM 1123 CZ PHE A 134 63.584 16.832 9.070 1.00 0.00 C ATOM 0 H PHE A 134 67.617 12.033 7.240 1.00 0.00 H new ATOM 0 HA PHE A 134 67.371 14.388 9.033 1.00 0.00 H new ATOM 0 HB2 PHE A 134 65.496 12.665 7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.336 12.382 9.396 1.00 0.00 H new ATOM 0 HD1 PHE A 134 64.070 14.306 6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 134 65.686 14.785 10.794 1.00 0.00 H new ATOM 0 HE1 PHE A 134 62.854 16.454 7.079 1.00 0.00 H new ATOM 0 HE2 PHE A 134 64.470 16.933 11.030 1.00 0.00 H new ATOM 0 HZ PHE A 134 63.055 17.768 9.173 1.00 0.00 H new ATOM 1133 N MET A 135 66.977 12.486 11.106 1.00 0.00 N ATOM 1134 CA MET A 135 67.400 11.753 12.282 1.00 0.00 C ATOM 1135 C MET A 135 67.595 10.284 11.939 1.00 0.00 C ATOM 1136 O MET A 135 66.864 9.722 11.124 1.00 0.00 O ATOM 1137 CB MET A 135 66.348 11.889 13.378 1.00 0.00 C ATOM 1138 CG MET A 135 66.281 13.341 13.860 1.00 0.00 C ATOM 1139 SD MET A 135 67.849 13.808 14.641 1.00 0.00 S ATOM 1140 CE MET A 135 68.542 14.719 13.238 1.00 0.00 C ATOM 0 H MET A 135 66.071 12.946 11.194 1.00 0.00 H new ATOM 0 HA MET A 135 68.346 12.164 12.635 1.00 0.00 H new ATOM 0 HB2 MET A 135 65.374 11.577 13.000 1.00 0.00 H new ATOM 0 HB3 MET A 135 66.592 11.231 14.212 1.00 0.00 H new ATOM 0 HG2 MET A 135 66.073 14.003 13.019 1.00 0.00 H new ATOM 0 HG3 MET A 135 65.462 13.460 14.570 1.00 0.00 H new ATOM 0 HE1 MET A 135 69.503 14.286 12.962 1.00 0.00 H new ATOM 0 HE2 MET A 135 67.859 14.656 12.391 1.00 0.00 H new ATOM 0 HE3 MET A 135 68.681 15.764 13.516 1.00 0.00 H new ATOM 1150 N ARG A 136 68.592 9.674 12.559 1.00 0.00 N ATOM 1151 CA ARG A 136 68.886 8.270 12.304 1.00 0.00 C ATOM 1152 C ARG A 136 67.978 7.377 13.136 1.00 0.00 C ATOM 1153 O ARG A 136 68.431 6.690 14.052 1.00 0.00 O ATOM 1154 CB ARG A 136 70.347 7.973 12.635 1.00 0.00 C ATOM 1155 CG ARG A 136 71.251 8.839 11.757 1.00 0.00 C ATOM 1156 CD ARG A 136 72.671 8.274 11.776 1.00 0.00 C ATOM 1157 NE ARG A 136 73.201 8.271 13.138 1.00 0.00 N ATOM 1158 CZ ARG A 136 73.747 9.359 13.686 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.810 10.486 13.026 1.00 0.00 N ATOM 1160 NH2 ARG A 136 74.230 9.295 14.897 1.00 0.00 N ATOM 0 H ARG A 136 69.208 10.123 13.237 1.00 0.00 H new ATOM 0 HA ARG A 136 68.708 8.065 11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 136 70.542 8.176 13.688 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.562 6.917 12.468 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.871 8.862 10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.252 9.867 12.120 1.00 0.00 H new ATOM 0 HD2 ARG A 136 72.671 7.260 11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 136 73.315 8.871 11.130 1.00 0.00 H new ATOM 0 HE ARG A 136 73.152 7.412 13.686 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.439 10.543 12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 136 74.230 11.308 13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 136 74.189 8.418 15.417 1.00 0.00 H new ATOM 0 HH22 ARG A 136 74.649 10.122 15.323 1.00 0.00 H new ATOM 1174 N ASP A 137 66.694 7.385 12.802 1.00 0.00 N ATOM 1175 CA ASP A 137 65.731 6.566 13.518 1.00 0.00 C ATOM 1176 C ASP A 137 66.046 5.090 13.307 1.00 0.00 C ATOM 1177 O ASP A 137 66.310 4.664 12.184 1.00 0.00 O ATOM 1178 CB ASP A 137 64.326 6.878 13.021 1.00 0.00 C ATOM 1179 CG ASP A 137 63.890 8.252 13.522 1.00 0.00 C ATOM 1180 OD1 ASP A 137 64.560 8.783 14.392 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.892 8.752 13.028 1.00 0.00 O ATOM 0 H ASP A 137 66.300 7.945 12.046 1.00 0.00 H new ATOM 0 HA ASP A 137 65.790 6.788 14.583 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.303 6.855 11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.630 6.116 13.371 1.00 0.00 H new ATOM 1186 N SER A 138 66.023 4.322 14.392 1.00 0.00 N ATOM 1187 CA SER A 138 66.317 2.897 14.322 1.00 0.00 C ATOM 1188 C SER A 138 66.281 2.272 15.713 1.00 0.00 C ATOM 1189 O SER A 138 66.660 2.904 16.698 1.00 0.00 O ATOM 1190 CB SER A 138 67.696 2.691 13.707 1.00 0.00 C ATOM 1191 OG SER A 138 68.621 3.562 14.340 1.00 0.00 O ATOM 0 H SER A 138 65.804 4.663 15.328 1.00 0.00 H new ATOM 0 HA SER A 138 65.561 2.415 13.703 1.00 0.00 H new ATOM 0 HB2 SER A 138 68.011 1.655 13.829 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.664 2.891 12.636 1.00 0.00 H new ATOM 0 HG SER A 138 68.525 4.465 13.971 1.00 0.00 H new ATOM 1197 N GLY A 139 65.829 1.026 15.785 1.00 0.00 N ATOM 1198 CA GLY A 139 65.755 0.330 17.052 1.00 0.00 C ATOM 1199 C GLY A 139 64.970 1.151 18.055 1.00 0.00 C ATOM 1200 O GLY A 139 63.866 1.620 17.776 1.00 0.00 O ATOM 0 H GLY A 139 65.511 0.484 14.982 1.00 0.00 H new ATOM 0 HA2 GLY A 139 65.280 -0.641 16.914 1.00 0.00 H new ATOM 0 HA3 GLY A 139 66.759 0.142 17.431 1.00 0.00 H new ATOM 1204 N SER A 140 65.566 1.325 19.219 1.00 0.00 N ATOM 1205 CA SER A 140 64.950 2.103 20.286 1.00 0.00 C ATOM 1206 C SER A 140 65.417 3.560 20.246 1.00 0.00 C ATOM 1207 O SER A 140 64.988 4.375 21.062 1.00 0.00 O ATOM 1208 CB SER A 140 65.298 1.493 21.644 1.00 0.00 C ATOM 1209 OG SER A 140 66.693 1.629 21.879 1.00 0.00 O ATOM 0 H SER A 140 66.480 0.938 19.454 1.00 0.00 H new ATOM 0 HA SER A 140 63.870 2.081 20.139 1.00 0.00 H new ATOM 0 HB2 SER A 140 64.735 1.991 22.434 1.00 0.00 H new ATOM 0 HB3 SER A 140 65.015 0.441 21.665 1.00 0.00 H new ATOM 0 HG SER A 140 66.917 1.240 22.750 1.00 0.00 H new ATOM 1215 N LYS A 141 66.299 3.884 19.300 1.00 0.00 N ATOM 1216 CA LYS A 141 66.810 5.245 19.186 1.00 0.00 C ATOM 1217 C LYS A 141 65.846 6.116 18.390 1.00 0.00 C ATOM 1218 O LYS A 141 65.461 5.772 17.272 1.00 0.00 O ATOM 1219 CB LYS A 141 68.173 5.232 18.490 1.00 0.00 C ATOM 1220 CG LYS A 141 69.180 4.466 19.350 1.00 0.00 C ATOM 1221 CD LYS A 141 70.512 4.346 18.605 1.00 0.00 C ATOM 1222 CE LYS A 141 71.174 5.723 18.504 1.00 0.00 C ATOM 1223 NZ LYS A 141 72.517 5.583 17.870 1.00 0.00 N ATOM 0 H LYS A 141 66.669 3.230 18.611 1.00 0.00 H new ATOM 0 HA LYS A 141 66.913 5.658 20.189 1.00 0.00 H new ATOM 0 HB2 LYS A 141 68.087 4.765 17.509 1.00 0.00 H new ATOM 0 HB3 LYS A 141 68.520 6.253 18.328 1.00 0.00 H new ATOM 0 HG2 LYS A 141 69.329 4.982 20.299 1.00 0.00 H new ATOM 0 HG3 LYS A 141 68.793 3.474 19.584 1.00 0.00 H new ATOM 0 HD2 LYS A 141 71.171 3.653 19.128 1.00 0.00 H new ATOM 0 HD3 LYS A 141 70.346 3.938 17.608 1.00 0.00 H new ATOM 0 HE2 LYS A 141 70.550 6.396 17.915 1.00 0.00 H new ATOM 0 HE3 LYS A 141 71.272 6.165 19.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 72.967 6.518 17.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 73.110 4.955 18.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 72.411 5.179 16.918 1.00 0.00 H new ATOM 1237 N ALA A 142 65.471 7.252 18.968 1.00 0.00 N ATOM 1238 CA ALA A 142 64.559 8.171 18.301 1.00 0.00 C ATOM 1239 C ALA A 142 64.754 9.589 18.832 1.00 0.00 C ATOM 1240 O ALA A 142 64.939 9.792 20.032 1.00 0.00 O ATOM 1241 CB ALA A 142 63.111 7.728 18.525 1.00 0.00 C ATOM 0 H ALA A 142 65.782 7.556 19.890 1.00 0.00 H new ATOM 0 HA ALA A 142 64.774 8.162 17.233 1.00 0.00 H new ATOM 0 HB1 ALA A 142 62.437 8.421 18.023 1.00 0.00 H new ATOM 0 HB2 ALA A 142 62.970 6.726 18.119 1.00 0.00 H new ATOM 0 HB3 ALA A 142 62.894 7.721 19.593 1.00 0.00 H new ATOM 1247 N ALA A 143 64.704 10.563 17.932 1.00 0.00 N ATOM 1248 CA ALA A 143 64.867 11.957 18.323 1.00 0.00 C ATOM 1249 C ALA A 143 63.746 12.384 19.264 1.00 0.00 C ATOM 1250 O ALA A 143 63.976 13.106 20.233 1.00 0.00 O ATOM 1251 CB ALA A 143 64.870 12.849 17.083 1.00 0.00 C ATOM 0 H ALA A 143 64.553 10.415 16.934 1.00 0.00 H new ATOM 0 HA ALA A 143 65.819 12.061 18.844 1.00 0.00 H new ATOM 0 HB1 ALA A 143 64.992 13.890 17.384 1.00 0.00 H new ATOM 0 HB2 ALA A 143 65.693 12.561 16.430 1.00 0.00 H new ATOM 0 HB3 ALA A 143 63.926 12.734 16.550 1.00 0.00 H new ATOM 1257 N THR A 144 62.532 11.932 18.967 1.00 0.00 N ATOM 1258 CA THR A 144 61.378 12.271 19.790 1.00 0.00 C ATOM 1259 C THR A 144 61.349 11.412 21.050 1.00 0.00 C ATOM 1260 O THR A 144 62.031 10.390 21.132 1.00 0.00 O ATOM 1261 CB THR A 144 60.088 12.059 18.994 1.00 0.00 C ATOM 1262 OG1 THR A 144 59.963 10.685 18.657 1.00 0.00 O ATOM 1263 CG2 THR A 144 60.129 12.901 17.718 1.00 0.00 C ATOM 0 H THR A 144 62.323 11.334 18.168 1.00 0.00 H new ATOM 0 HA THR A 144 61.457 13.319 20.080 1.00 0.00 H new ATOM 0 HB THR A 144 59.233 12.364 19.597 1.00 0.00 H new ATOM 0 HG1 THR A 144 59.137 10.547 18.149 1.00 0.00 H new ATOM 0 HG21 THR A 144 59.210 12.749 17.152 1.00 0.00 H new ATOM 0 HG22 THR A 144 60.224 13.955 17.980 1.00 0.00 H new ATOM 0 HG23 THR A 144 60.983 12.600 17.111 1.00 0.00 H new ATOM 1271 N ASP A 145 60.556 11.834 22.030 1.00 0.00 N ATOM 1272 CA ASP A 145 60.447 11.093 23.282 1.00 0.00 C ATOM 1273 C ASP A 145 61.796 11.036 23.990 1.00 0.00 C ATOM 1274 O ASP A 145 62.316 9.944 24.149 1.00 0.00 O ATOM 1275 CB ASP A 145 59.952 9.672 23.007 1.00 0.00 C ATOM 1276 CG ASP A 145 59.406 9.050 24.287 1.00 0.00 C ATOM 1277 OD1 ASP A 145 59.212 9.783 25.246 1.00 0.00 O ATOM 1278 OD2 ASP A 145 59.191 7.849 24.295 1.00 0.00 O ATOM 1279 OXT ASP A 145 62.292 12.087 24.363 1.00 0.00 O ATOM 0 H ASP A 145 59.984 12.677 21.983 1.00 0.00 H new ATOM 0 HA ASP A 145 59.733 11.607 23.926 1.00 0.00 H new ATOM 0 HB2 ASP A 145 59.175 9.691 22.243 1.00 0.00 H new ATOM 0 HB3 ASP A 145 60.768 9.063 22.617 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.139 7.686 -6.400 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.597 1.044 1.134 1.00 0.00 ZN