USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -6:sc= -0.0879 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 33:sc= -3.34! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 43 THR OG1 : rot 68:sc= 0.444 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -101:sc= 1.25 (180deg=-0.923) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 49 CYS SG : rot 29:sc= 0.336 USER MOD Single : A 53 SER OG : rot 81:sc= 0.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0.148 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -114:sc= 0.0336 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.557 X(o=-0.56,f=-1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 88:sc= 0.0238 USER MOD Single : A 82 THR OG1 : rot -93:sc= 1.36! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0071 K(o=-0.0071,f=-0.76) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -3.49! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -72:sc= 0.965 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 9.994 0.765 -11.213 1.00 0.00 N ATOM 112 CA GLU A 11 8.836 1.583 -11.530 1.00 0.00 C ATOM 113 C GLU A 11 7.643 1.172 -10.665 1.00 0.00 C ATOM 114 O GLU A 11 6.884 2.024 -10.204 1.00 0.00 O ATOM 115 CB GLU A 11 8.491 1.493 -13.018 1.00 0.00 C ATOM 116 CG GLU A 11 7.693 0.223 -13.320 1.00 0.00 C ATOM 117 CD GLU A 11 7.670 -0.066 -14.822 1.00 0.00 C ATOM 118 OE1 GLU A 11 8.672 -0.636 -15.305 1.00 0.00 O ATOM 119 OE2 GLU A 11 6.651 0.288 -15.452 1.00 0.00 O ATOM 0 HA GLU A 11 9.079 2.622 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.914 2.369 -13.315 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.407 1.500 -13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.133 -0.622 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.673 0.334 -12.952 1.00 0.00 H new ATOM 126 N LEU A 12 7.514 -0.132 -10.472 1.00 0.00 N ATOM 127 CA LEU A 12 6.427 -0.667 -9.670 1.00 0.00 C ATOM 128 C LEU A 12 6.877 -0.768 -8.212 1.00 0.00 C ATOM 129 O LEU A 12 6.107 -0.470 -7.299 1.00 0.00 O ATOM 130 CB LEU A 12 5.931 -1.990 -10.255 1.00 0.00 C ATOM 131 CG LEU A 12 5.383 -1.930 -11.682 1.00 0.00 C ATOM 132 CD1 LEU A 12 4.694 -3.243 -12.060 1.00 0.00 C ATOM 133 CD2 LEU A 12 4.458 -0.725 -11.863 1.00 0.00 C ATOM 0 H LEU A 12 8.145 -0.835 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 12 5.569 0.005 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.753 -2.705 -10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.150 -2.382 -9.604 1.00 0.00 H new ATOM 0 HG LEU A 12 6.222 -1.798 -12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.313 -3.174 -13.079 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.411 -4.062 -11.995 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.867 -3.430 -11.376 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.082 -0.705 -12.886 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.620 -0.802 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.012 0.192 -11.662 1.00 0.00 H new ATOM 145 N LEU A 13 8.119 -1.191 -8.037 1.00 0.00 N ATOM 146 CA LEU A 13 8.680 -1.336 -6.704 1.00 0.00 C ATOM 147 C LEU A 13 9.090 0.040 -6.176 1.00 0.00 C ATOM 148 O LEU A 13 9.475 0.916 -6.948 1.00 0.00 O ATOM 149 CB LEU A 13 9.820 -2.357 -6.711 1.00 0.00 C ATOM 150 CG LEU A 13 11.089 -1.951 -5.957 1.00 0.00 C ATOM 151 CD1 LEU A 13 10.877 -2.031 -4.444 1.00 0.00 C ATOM 152 CD2 LEU A 13 12.288 -2.784 -6.414 1.00 0.00 C ATOM 0 H LEU A 13 8.754 -1.438 -8.796 1.00 0.00 H new ATOM 0 HA LEU A 13 7.932 -1.732 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.449 -3.289 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.088 -2.566 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 13 11.311 -0.911 -6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.794 -1.738 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.069 -1.360 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.618 -3.053 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.176 -2.476 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.091 -3.839 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.452 -2.631 -7.481 1.00 0.00 H new ATOM 164 N GLY A 14 8.995 0.187 -4.862 1.00 0.00 N ATOM 165 CA GLY A 14 9.350 1.442 -4.221 1.00 0.00 C ATOM 166 C GLY A 14 8.208 2.453 -4.326 1.00 0.00 C ATOM 167 O GLY A 14 8.314 3.569 -3.817 1.00 0.00 O ATOM 0 H GLY A 14 8.677 -0.543 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.588 1.264 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.247 1.851 -4.686 1.00 0.00 H new ATOM 171 N LYS A 15 7.142 2.029 -4.987 1.00 0.00 N ATOM 172 CA LYS A 15 5.981 2.885 -5.165 1.00 0.00 C ATOM 173 C LYS A 15 4.757 2.212 -4.541 1.00 0.00 C ATOM 174 O LYS A 15 4.820 1.052 -4.136 1.00 0.00 O ATOM 175 CB LYS A 15 5.800 3.243 -6.641 1.00 0.00 C ATOM 176 CG LYS A 15 5.046 2.138 -7.385 1.00 0.00 C ATOM 177 CD LYS A 15 3.687 2.637 -7.878 1.00 0.00 C ATOM 178 CE LYS A 15 3.838 3.482 -9.143 1.00 0.00 C ATOM 179 NZ LYS A 15 3.239 4.821 -8.948 1.00 0.00 N ATOM 0 H LYS A 15 7.057 1.103 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 15 6.124 3.833 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.254 4.182 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.775 3.398 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.640 1.794 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.905 1.281 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.035 1.787 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.208 3.228 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.893 3.583 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.356 2.980 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.351 5.381 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.227 4.720 -8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.717 5.304 -8.161 1.00 0.00 H new ATOM 193 N VAL A 16 3.671 2.969 -4.481 1.00 0.00 N ATOM 194 CA VAL A 16 2.435 2.460 -3.913 1.00 0.00 C ATOM 195 C VAL A 16 1.800 1.467 -4.889 1.00 0.00 C ATOM 196 O VAL A 16 1.781 1.704 -6.096 1.00 0.00 O ATOM 197 CB VAL A 16 1.507 3.623 -3.555 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.086 3.126 -3.283 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.050 4.411 -2.361 1.00 0.00 C ATOM 0 H VAL A 16 3.622 3.931 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 16 2.634 1.922 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 16 1.469 4.297 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.553 3.972 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.302 2.630 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.100 2.421 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.372 5.232 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.133 3.752 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.033 4.812 -2.607 1.00 0.00 H new ATOM 209 N VAL A 17 1.294 0.378 -4.330 1.00 0.00 N ATOM 210 CA VAL A 17 0.661 -0.651 -5.137 1.00 0.00 C ATOM 211 C VAL A 17 -0.575 -1.179 -4.403 1.00 0.00 C ATOM 212 O VAL A 17 -0.672 -1.065 -3.183 1.00 0.00 O ATOM 213 CB VAL A 17 1.671 -1.750 -5.472 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.756 -1.228 -6.417 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.288 -2.334 -4.198 1.00 0.00 C ATOM 0 H VAL A 17 1.309 0.186 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 17 0.324 -0.237 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 17 1.138 -2.551 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.461 -2.029 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.296 -0.882 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.284 -0.401 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.002 -3.113 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.800 -1.545 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.502 -2.760 -3.575 1.00 0.00 H new ATOM 225 N SER A 18 -1.487 -1.745 -5.180 1.00 0.00 N ATOM 226 CA SER A 18 -2.712 -2.289 -4.619 1.00 0.00 C ATOM 227 C SER A 18 -2.597 -3.810 -4.490 1.00 0.00 C ATOM 228 O SER A 18 -2.265 -4.495 -5.457 1.00 0.00 O ATOM 229 CB SER A 18 -3.922 -1.920 -5.479 1.00 0.00 C ATOM 230 OG SER A 18 -3.729 -2.260 -6.849 1.00 0.00 O ATOM 0 H SER A 18 -1.402 -1.839 -6.192 1.00 0.00 H new ATOM 0 HA SER A 18 -2.858 -1.856 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.806 -2.433 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.113 -0.850 -5.395 1.00 0.00 H new ATOM 0 HG SER A 18 -2.811 -2.576 -6.981 1.00 0.00 H new ATOM 236 N VAL A 19 -2.879 -4.292 -3.290 1.00 0.00 N ATOM 237 CA VAL A 19 -2.812 -5.719 -3.022 1.00 0.00 C ATOM 238 C VAL A 19 -4.222 -6.310 -3.074 1.00 0.00 C ATOM 239 O VAL A 19 -5.103 -5.892 -2.324 1.00 0.00 O ATOM 240 CB VAL A 19 -2.109 -5.968 -1.686 1.00 0.00 C ATOM 241 CG1 VAL A 19 -2.348 -7.399 -1.198 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.612 -5.667 -1.789 1.00 0.00 C ATOM 0 H VAL A 19 -3.155 -3.720 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.219 -6.223 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.538 -5.287 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.837 -7.549 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.417 -7.565 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.960 -8.104 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.137 -5.852 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.163 -6.311 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.469 -4.623 -2.069 1.00 0.00 H new ATOM 252 N VAL A 20 -4.391 -7.274 -3.968 1.00 0.00 N ATOM 253 CA VAL A 20 -5.679 -7.928 -4.128 1.00 0.00 C ATOM 254 C VAL A 20 -5.824 -9.025 -3.073 1.00 0.00 C ATOM 255 O VAL A 20 -4.921 -9.841 -2.892 1.00 0.00 O ATOM 256 CB VAL A 20 -5.826 -8.449 -5.559 1.00 0.00 C ATOM 257 CG1 VAL A 20 -7.263 -8.902 -5.832 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.380 -7.397 -6.575 1.00 0.00 C ATOM 0 H VAL A 20 -3.658 -7.618 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.491 -7.218 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.174 -9.316 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.341 -9.268 -6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.530 -9.701 -5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.942 -8.060 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.495 -7.794 -7.584 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.993 -6.502 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.334 -7.144 -6.402 1.00 0.00 H new ATOM 268 N SER A 21 -6.968 -9.012 -2.404 1.00 0.00 N ATOM 269 CA SER A 21 -7.242 -9.997 -1.371 1.00 0.00 C ATOM 270 C SER A 21 -7.313 -11.395 -1.988 1.00 0.00 C ATOM 271 O SER A 21 -7.923 -11.584 -3.039 1.00 0.00 O ATOM 272 CB SER A 21 -8.544 -9.674 -0.635 1.00 0.00 C ATOM 273 OG SER A 21 -8.380 -9.709 0.780 1.00 0.00 O ATOM 0 H SER A 21 -7.716 -8.335 -2.557 1.00 0.00 H new ATOM 0 HA SER A 21 -6.429 -9.968 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.895 -8.687 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.313 -10.388 -0.929 1.00 0.00 H new ATOM 0 HG SER A 21 -9.233 -9.496 1.214 1.00 0.00 H new ATOM 279 N ALA A 22 -6.681 -12.340 -1.307 1.00 0.00 N ATOM 280 CA ALA A 22 -6.665 -13.716 -1.775 1.00 0.00 C ATOM 281 C ALA A 22 -8.099 -14.246 -1.836 1.00 0.00 C ATOM 282 O ALA A 22 -8.477 -14.914 -2.796 1.00 0.00 O ATOM 283 CB ALA A 22 -5.772 -14.556 -0.860 1.00 0.00 C ATOM 0 H ALA A 22 -6.176 -12.180 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.249 -13.774 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.760 -15.588 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.758 -14.156 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.161 -14.523 0.158 1.00 0.00 H new ATOM 289 N THR A 23 -8.859 -13.928 -0.797 1.00 0.00 N ATOM 290 CA THR A 23 -10.241 -14.364 -0.721 1.00 0.00 C ATOM 291 C THR A 23 -11.185 -13.211 -1.071 1.00 0.00 C ATOM 292 O THR A 23 -12.332 -13.188 -0.630 1.00 0.00 O ATOM 293 CB THR A 23 -10.480 -14.941 0.676 1.00 0.00 C ATOM 294 OG1 THR A 23 -9.694 -16.130 0.698 1.00 0.00 O ATOM 295 CG2 THR A 23 -11.914 -15.438 0.868 1.00 0.00 C ATOM 0 H THR A 23 -8.542 -13.373 -0.002 1.00 0.00 H new ATOM 0 HA THR A 23 -10.448 -15.146 -1.451 1.00 0.00 H new ATOM 0 HB THR A 23 -10.257 -14.182 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.788 -16.568 1.569 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.029 -15.837 1.876 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.608 -14.610 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.128 -16.221 0.141 1.00 0.00 H new ATOM 303 N GLU A 24 -10.664 -12.282 -1.859 1.00 0.00 N ATOM 304 CA GLU A 24 -11.445 -11.128 -2.273 1.00 0.00 C ATOM 305 C GLU A 24 -10.672 -10.307 -3.307 1.00 0.00 C ATOM 306 O GLU A 24 -9.667 -9.678 -2.979 1.00 0.00 O ATOM 307 CB GLU A 24 -11.833 -10.269 -1.068 1.00 0.00 C ATOM 308 CG GLU A 24 -13.295 -10.496 -0.680 1.00 0.00 C ATOM 309 CD GLU A 24 -13.467 -10.485 0.840 1.00 0.00 C ATOM 310 OE1 GLU A 24 -12.921 -9.551 1.466 1.00 0.00 O ATOM 311 OE2 GLU A 24 -14.141 -11.410 1.343 1.00 0.00 O ATOM 0 H GLU A 24 -9.711 -12.305 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.366 -11.483 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.188 -10.509 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.674 -9.216 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.918 -9.720 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.638 -11.450 -1.081 1.00 0.00 H new ATOM 318 N ARG A 25 -11.170 -10.340 -4.534 1.00 0.00 N ATOM 319 CA ARG A 25 -10.539 -9.606 -5.617 1.00 0.00 C ATOM 320 C ARG A 25 -10.964 -8.136 -5.581 1.00 0.00 C ATOM 321 O ARG A 25 -10.341 -7.291 -6.222 1.00 0.00 O ATOM 322 CB ARG A 25 -10.909 -10.204 -6.976 1.00 0.00 C ATOM 323 CG ARG A 25 -10.406 -11.643 -7.098 1.00 0.00 C ATOM 324 CD ARG A 25 -11.185 -12.576 -6.168 1.00 0.00 C ATOM 325 NE ARG A 25 -11.111 -13.967 -6.670 1.00 0.00 N ATOM 326 CZ ARG A 25 -11.776 -14.997 -6.129 1.00 0.00 C ATOM 327 NH1 ARG A 25 -12.565 -14.800 -5.064 1.00 0.00 N ATOM 328 NH2 ARG A 25 -11.649 -16.225 -6.649 1.00 0.00 N ATOM 0 H ARG A 25 -12.003 -10.864 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.460 -9.679 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.991 -10.181 -7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.480 -9.597 -7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.509 -11.982 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.344 -11.683 -6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.776 -12.522 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.226 -12.257 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.517 -14.153 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.659 -13.866 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.071 -15.584 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.046 -16.377 -7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.156 -17.008 -6.237 1.00 0.00 H new ATOM 342 N THR A 26 -12.020 -7.877 -4.826 1.00 0.00 N ATOM 343 CA THR A 26 -12.535 -6.524 -4.698 1.00 0.00 C ATOM 344 C THR A 26 -11.742 -5.749 -3.643 1.00 0.00 C ATOM 345 O THR A 26 -11.161 -4.708 -3.941 1.00 0.00 O ATOM 346 CB THR A 26 -14.031 -6.615 -4.389 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.645 -6.727 -5.670 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.591 -5.309 -3.820 1.00 0.00 C ATOM 0 H THR A 26 -12.534 -8.581 -4.296 1.00 0.00 H new ATOM 0 HA THR A 26 -12.414 -5.965 -5.626 1.00 0.00 H new ATOM 0 HB THR A 26 -14.207 -7.425 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.617 -6.793 -5.562 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.656 -5.427 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.071 -5.063 -2.894 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.446 -4.506 -4.542 1.00 0.00 H new ATOM 356 N GLU A 27 -11.745 -6.289 -2.433 1.00 0.00 N ATOM 357 CA GLU A 27 -11.033 -5.660 -1.333 1.00 0.00 C ATOM 358 C GLU A 27 -9.533 -5.616 -1.628 1.00 0.00 C ATOM 359 O GLU A 27 -8.893 -6.658 -1.770 1.00 0.00 O ATOM 360 CB GLU A 27 -11.312 -6.385 -0.015 1.00 0.00 C ATOM 361 CG GLU A 27 -12.379 -5.651 0.800 1.00 0.00 C ATOM 362 CD GLU A 27 -11.748 -4.571 1.681 1.00 0.00 C ATOM 363 OE1 GLU A 27 -11.031 -4.958 2.629 1.00 0.00 O ATOM 364 OE2 GLU A 27 -11.999 -3.382 1.388 1.00 0.00 O ATOM 0 H GLU A 27 -12.228 -7.154 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.393 -4.636 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.642 -7.404 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.392 -6.458 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.107 -5.198 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.920 -6.363 1.423 1.00 0.00 H new ATOM 371 N TRP A 28 -9.014 -4.401 -1.711 1.00 0.00 N ATOM 372 CA TRP A 28 -7.601 -4.207 -1.986 1.00 0.00 C ATOM 373 C TRP A 28 -7.078 -3.125 -1.039 1.00 0.00 C ATOM 374 O TRP A 28 -7.839 -2.276 -0.582 1.00 0.00 O ATOM 375 CB TRP A 28 -7.370 -3.871 -3.462 1.00 0.00 C ATOM 376 CG TRP A 28 -7.845 -2.473 -3.864 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.035 -2.121 -4.369 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.088 -1.249 -3.773 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.100 -0.762 -4.609 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.878 -0.216 -4.235 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.778 -1.021 -3.315 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.448 1.116 -4.286 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.363 0.315 -3.371 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.146 1.366 -3.835 1.00 0.00 C ATOM 0 H TRP A 28 -9.547 -3.540 -1.593 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.044 -5.127 -1.806 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.306 -3.959 -3.682 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.885 -4.609 -4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.842 -2.812 -4.564 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.898 -0.253 -4.990 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.142 -1.814 -2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.085 1.907 -4.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.365 0.545 -3.030 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.752 2.371 -3.848 1.00 0.00 H new ATOM 395 N TYR A 29 -5.781 -3.192 -0.773 1.00 0.00 N ATOM 396 CA TYR A 29 -5.148 -2.230 0.111 1.00 0.00 C ATOM 397 C TYR A 29 -3.811 -1.755 -0.462 1.00 0.00 C ATOM 398 O TYR A 29 -3.070 -2.539 -1.053 1.00 0.00 O ATOM 399 CB TYR A 29 -4.890 -2.971 1.425 1.00 0.00 C ATOM 400 CG TYR A 29 -3.449 -3.455 1.595 1.00 0.00 C ATOM 401 CD1 TYR A 29 -2.487 -2.599 2.091 1.00 0.00 C ATOM 402 CD2 TYR A 29 -3.111 -4.748 1.252 1.00 0.00 C ATOM 403 CE1 TYR A 29 -1.131 -3.054 2.250 1.00 0.00 C ATOM 404 CE2 TYR A 29 -1.754 -5.204 1.411 1.00 0.00 C ATOM 405 CZ TYR A 29 -0.831 -4.335 1.903 1.00 0.00 C ATOM 406 OH TYR A 29 0.451 -4.765 2.053 1.00 0.00 O ATOM 0 H TYR A 29 -5.152 -3.898 -1.155 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.783 -1.354 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.142 -2.313 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.560 -3.829 1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.752 -1.587 2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.864 -5.418 0.864 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.369 -2.394 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.476 -6.213 1.145 1.00 0.00 H new ATOM 0 HH TYR A 29 0.856 -4.322 2.828 1.00 0.00 H new ATOM 416 N PRO A 30 -3.536 -0.437 -0.264 1.00 0.00 N ATOM 417 CA PRO A 30 -2.303 0.152 -0.754 1.00 0.00 C ATOM 418 C PRO A 30 -1.114 -0.263 0.115 1.00 0.00 C ATOM 419 O PRO A 30 -1.242 -0.383 1.331 1.00 0.00 O ATOM 420 CB PRO A 30 -2.551 1.652 -0.744 1.00 0.00 C ATOM 421 CG PRO A 30 -3.735 1.871 0.183 1.00 0.00 C ATOM 422 CD PRO A 30 -4.391 0.522 0.430 1.00 0.00 C ATOM 0 HA PRO A 30 -2.044 -0.188 -1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.672 2.191 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.767 2.019 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.406 2.313 1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.447 2.565 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.452 0.300 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.409 0.499 0.041 1.00 0.00 H new ATOM 430 N ALA A 31 0.017 -0.470 -0.545 1.00 0.00 N ATOM 431 CA ALA A 31 1.228 -0.868 0.151 1.00 0.00 C ATOM 432 C ALA A 31 2.445 -0.494 -0.696 1.00 0.00 C ATOM 433 O ALA A 31 2.395 -0.560 -1.923 1.00 0.00 O ATOM 434 CB ALA A 31 1.170 -2.366 0.460 1.00 0.00 C ATOM 0 H ALA A 31 0.119 -0.369 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 31 1.315 -0.342 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.079 -2.665 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.305 -2.575 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.085 -2.927 -0.471 1.00 0.00 H new ATOM 440 N LEU A 32 3.510 -0.110 -0.007 1.00 0.00 N ATOM 441 CA LEU A 32 4.739 0.274 -0.682 1.00 0.00 C ATOM 442 C LEU A 32 5.672 -0.935 -0.760 1.00 0.00 C ATOM 443 O LEU A 32 6.143 -1.426 0.265 1.00 0.00 O ATOM 444 CB LEU A 32 5.365 1.492 0.000 1.00 0.00 C ATOM 445 CG LEU A 32 6.568 2.115 -0.712 1.00 0.00 C ATOM 446 CD1 LEU A 32 6.170 2.659 -2.086 1.00 0.00 C ATOM 447 CD2 LEU A 32 7.228 3.185 0.160 1.00 0.00 C ATOM 0 H LEU A 32 3.547 -0.057 1.011 1.00 0.00 H new ATOM 0 HA LEU A 32 4.532 0.582 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.596 2.257 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.672 1.203 1.005 1.00 0.00 H new ATOM 0 HG LEU A 32 7.310 1.334 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.043 3.096 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.782 1.847 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.401 3.422 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.080 3.611 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.506 3.972 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.569 2.735 1.093 1.00 0.00 H new ATOM 459 N VAL A 33 5.912 -1.379 -1.985 1.00 0.00 N ATOM 460 CA VAL A 33 6.781 -2.521 -2.210 1.00 0.00 C ATOM 461 C VAL A 33 8.214 -2.152 -1.819 1.00 0.00 C ATOM 462 O VAL A 33 8.630 -1.007 -1.986 1.00 0.00 O ATOM 463 CB VAL A 33 6.659 -2.995 -3.660 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.690 -4.081 -3.971 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.240 -3.483 -3.960 1.00 0.00 C ATOM 0 H VAL A 33 5.520 -0.968 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 33 6.479 -3.359 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 33 6.864 -2.144 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.581 -4.400 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.694 -3.685 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.531 -4.933 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.181 -3.814 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.994 -4.314 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.533 -2.669 -3.798 1.00 0.00 H new ATOM 475 N ILE A 34 8.928 -3.143 -1.309 1.00 0.00 N ATOM 476 CA ILE A 34 10.305 -2.936 -0.893 1.00 0.00 C ATOM 477 C ILE A 34 11.030 -4.283 -0.855 1.00 0.00 C ATOM 478 O ILE A 34 10.484 -5.298 -1.286 1.00 0.00 O ATOM 479 CB ILE A 34 10.357 -2.173 0.431 1.00 0.00 C ATOM 480 CG1 ILE A 34 9.205 -2.587 1.349 1.00 0.00 C ATOM 481 CG2 ILE A 34 10.385 -0.662 0.193 1.00 0.00 C ATOM 482 CD1 ILE A 34 9.482 -2.180 2.797 1.00 0.00 C ATOM 0 H ILE A 34 8.580 -4.092 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 34 10.830 -2.311 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 34 11.284 -2.436 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.279 -2.123 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.060 -3.666 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.422 -0.143 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.266 -0.402 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.487 -0.362 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.647 -2.486 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.395 -2.665 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.602 -1.098 2.854 1.00 0.00 H new ATOM 494 N SER A 35 12.248 -4.250 -0.335 1.00 0.00 N ATOM 495 CA SER A 35 13.052 -5.456 -0.235 1.00 0.00 C ATOM 496 C SER A 35 13.532 -5.646 1.205 1.00 0.00 C ATOM 497 O SER A 35 14.045 -4.714 1.822 1.00 0.00 O ATOM 498 CB SER A 35 14.248 -5.401 -1.189 1.00 0.00 C ATOM 499 OG SER A 35 15.389 -4.802 -0.582 1.00 0.00 O ATOM 0 H SER A 35 12.698 -3.407 0.022 1.00 0.00 H new ATOM 0 HA SER A 35 12.432 -6.306 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.499 -6.411 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.974 -4.837 -2.081 1.00 0.00 H new ATOM 0 HG SER A 35 16.131 -4.787 -1.223 1.00 0.00 H new ATOM 505 N PRO A 36 13.344 -6.894 1.713 1.00 0.00 N ATOM 506 CA PRO A 36 13.751 -7.219 3.069 1.00 0.00 C ATOM 507 C PRO A 36 15.271 -7.373 3.164 1.00 0.00 C ATOM 508 O PRO A 36 15.777 -8.480 3.344 1.00 0.00 O ATOM 509 CB PRO A 36 13.002 -8.498 3.409 1.00 0.00 C ATOM 510 CG PRO A 36 12.569 -9.094 2.079 1.00 0.00 C ATOM 511 CD PRO A 36 12.740 -8.024 1.013 1.00 0.00 C ATOM 0 HA PRO A 36 13.509 -6.430 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.640 -9.190 3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.140 -8.289 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.170 -9.971 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.531 -9.423 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.378 -8.373 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.782 -7.749 0.571 1.00 0.00 H new ATOM 519 N SER A 37 15.956 -6.245 3.036 1.00 0.00 N ATOM 520 CA SER A 37 17.407 -6.241 3.105 1.00 0.00 C ATOM 521 C SER A 37 17.863 -6.082 4.557 1.00 0.00 C ATOM 522 O SER A 37 18.589 -6.925 5.080 1.00 0.00 O ATOM 523 CB SER A 37 17.996 -5.125 2.239 1.00 0.00 C ATOM 524 OG SER A 37 19.194 -5.534 1.585 1.00 0.00 O ATOM 0 H SER A 37 15.533 -5.329 2.885 1.00 0.00 H new ATOM 0 HA SER A 37 17.770 -7.194 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 37 17.262 -4.819 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 37 18.201 -4.254 2.861 1.00 0.00 H new ATOM 0 HG SER A 37 19.538 -4.795 1.041 1.00 0.00 H new ATOM 530 N CYS A 38 17.415 -4.994 5.167 1.00 0.00 N ATOM 531 CA CYS A 38 17.768 -4.713 6.548 1.00 0.00 C ATOM 532 C CYS A 38 17.276 -5.873 7.415 1.00 0.00 C ATOM 533 O CYS A 38 17.876 -6.183 8.443 1.00 0.00 O ATOM 534 CB CYS A 38 17.199 -3.370 7.016 1.00 0.00 C ATOM 535 SG CYS A 38 18.545 -2.140 7.165 1.00 0.00 S ATOM 0 H CYS A 38 16.811 -4.297 4.730 1.00 0.00 H new ATOM 0 HA CYS A 38 18.851 -4.626 6.638 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.449 -3.017 6.308 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.699 -3.492 7.977 1.00 0.00 H new ATOM 0 HG CYS A 38 18.053 -1.004 7.560 1.00 0.00 H new ATOM 541 N ASN A 39 16.187 -6.483 6.969 1.00 0.00 N ATOM 542 CA ASN A 39 15.607 -7.602 7.692 1.00 0.00 C ATOM 543 C ASN A 39 16.221 -8.907 7.180 1.00 0.00 C ATOM 544 O ASN A 39 16.808 -8.939 6.098 1.00 0.00 O ATOM 545 CB ASN A 39 14.095 -7.674 7.474 1.00 0.00 C ATOM 546 CG ASN A 39 13.465 -6.281 7.541 1.00 0.00 C ATOM 547 OD1 ASN A 39 13.621 -5.546 8.502 1.00 0.00 O ATOM 548 ND2 ASN A 39 12.746 -5.961 6.469 1.00 0.00 N ATOM 0 H ASN A 39 15.691 -6.223 6.116 1.00 0.00 H new ATOM 0 HA ASN A 39 15.812 -7.461 8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.885 -8.126 6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.645 -8.317 8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.284 -5.053 6.417 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.656 -6.624 5.699 1.00 0.00 H new ATOM 555 N ASP A 40 16.063 -9.952 7.978 1.00 0.00 N ATOM 556 CA ASP A 40 16.593 -11.256 7.619 1.00 0.00 C ATOM 557 C ASP A 40 15.599 -12.341 8.040 1.00 0.00 C ATOM 558 O ASP A 40 15.196 -13.169 7.225 1.00 0.00 O ATOM 559 CB ASP A 40 17.919 -11.527 8.333 1.00 0.00 C ATOM 560 CG ASP A 40 17.905 -11.272 9.842 1.00 0.00 C ATOM 561 OD1 ASP A 40 17.885 -10.079 10.216 1.00 0.00 O ATOM 562 OD2 ASP A 40 17.914 -12.275 10.587 1.00 0.00 O ATOM 0 H ASP A 40 15.575 -9.922 8.873 1.00 0.00 H new ATOM 0 HA ASP A 40 16.754 -11.269 6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.203 -12.565 8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.691 -10.904 7.882 1.00 0.00 H new ATOM 567 N ASP A 41 15.233 -12.300 9.313 1.00 0.00 N ATOM 568 CA ASP A 41 14.294 -13.269 9.852 1.00 0.00 C ATOM 569 C ASP A 41 13.058 -13.329 8.953 1.00 0.00 C ATOM 570 O ASP A 41 12.495 -14.402 8.736 1.00 0.00 O ATOM 571 CB ASP A 41 13.838 -12.871 11.257 1.00 0.00 C ATOM 572 CG ASP A 41 14.698 -13.421 12.396 1.00 0.00 C ATOM 573 OD1 ASP A 41 15.141 -14.583 12.264 1.00 0.00 O ATOM 574 OD2 ASP A 41 14.894 -12.667 13.374 1.00 0.00 O ATOM 0 H ASP A 41 15.570 -11.611 9.986 1.00 0.00 H new ATOM 0 HA ASP A 41 14.795 -14.236 9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.826 -11.783 11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.812 -13.211 11.400 1.00 0.00 H new ATOM 579 N ILE A 42 12.671 -12.165 8.454 1.00 0.00 N ATOM 580 CA ILE A 42 11.511 -12.071 7.583 1.00 0.00 C ATOM 581 C ILE A 42 11.707 -12.996 6.379 1.00 0.00 C ATOM 582 O ILE A 42 12.222 -12.575 5.346 1.00 0.00 O ATOM 583 CB ILE A 42 11.244 -10.614 7.201 1.00 0.00 C ATOM 584 CG1 ILE A 42 11.127 -9.733 8.447 1.00 0.00 C ATOM 585 CG2 ILE A 42 10.011 -10.501 6.301 1.00 0.00 C ATOM 586 CD1 ILE A 42 10.064 -10.276 9.404 1.00 0.00 C ATOM 0 H ILE A 42 13.140 -11.278 8.636 1.00 0.00 H new ATOM 0 HA ILE A 42 10.615 -12.409 8.104 1.00 0.00 H new ATOM 0 HB ILE A 42 12.096 -10.249 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 42 12.090 -9.687 8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.872 -8.715 8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.843 -9.455 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.171 -11.078 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.139 -10.890 6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.001 -9.632 10.281 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.098 -10.298 8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.335 -11.285 9.714 1.00 0.00 H new ATOM 598 N THR A 43 11.285 -14.240 6.555 1.00 0.00 N ATOM 599 CA THR A 43 11.407 -15.228 5.497 1.00 0.00 C ATOM 600 C THR A 43 10.317 -15.019 4.444 1.00 0.00 C ATOM 601 O THR A 43 9.156 -15.355 4.672 1.00 0.00 O ATOM 602 CB THR A 43 11.373 -16.616 6.139 1.00 0.00 C ATOM 603 OG1 THR A 43 12.608 -16.701 6.847 1.00 0.00 O ATOM 604 CG2 THR A 43 11.458 -17.741 5.107 1.00 0.00 C ATOM 0 H THR A 43 10.858 -14.586 7.414 1.00 0.00 H new ATOM 0 HA THR A 43 12.353 -15.123 4.966 1.00 0.00 H new ATOM 0 HB THR A 43 10.457 -16.725 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.602 -16.066 7.593 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.430 -18.704 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.615 -17.669 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.390 -17.653 4.549 1.00 0.00 H new ATOM 612 N VAL A 44 10.729 -14.466 3.313 1.00 0.00 N ATOM 613 CA VAL A 44 9.802 -14.208 2.224 1.00 0.00 C ATOM 614 C VAL A 44 9.946 -15.305 1.167 1.00 0.00 C ATOM 615 O VAL A 44 11.056 -15.740 0.865 1.00 0.00 O ATOM 616 CB VAL A 44 10.033 -12.804 1.662 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.307 -12.622 0.327 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.605 -11.734 2.669 1.00 0.00 C ATOM 0 H VAL A 44 11.693 -14.189 3.127 1.00 0.00 H new ATOM 0 HA VAL A 44 8.773 -14.235 2.584 1.00 0.00 H new ATOM 0 HB VAL A 44 11.101 -12.686 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.487 -11.616 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.679 -13.352 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.237 -12.769 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.779 -10.745 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.545 -11.850 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.185 -11.844 3.585 1.00 0.00 H new ATOM 628 N LYS A 45 8.806 -15.723 0.635 1.00 0.00 N ATOM 629 CA LYS A 45 8.791 -16.761 -0.380 1.00 0.00 C ATOM 630 C LYS A 45 9.292 -16.181 -1.704 1.00 0.00 C ATOM 631 O LYS A 45 9.453 -14.968 -1.834 1.00 0.00 O ATOM 632 CB LYS A 45 7.403 -17.399 -0.475 1.00 0.00 C ATOM 633 CG LYS A 45 7.089 -18.213 0.781 1.00 0.00 C ATOM 634 CD LYS A 45 8.201 -19.222 1.073 1.00 0.00 C ATOM 635 CE LYS A 45 7.682 -20.379 1.930 1.00 0.00 C ATOM 636 NZ LYS A 45 8.324 -21.650 1.528 1.00 0.00 N ATOM 0 H LYS A 45 7.887 -15.361 0.889 1.00 0.00 H new ATOM 0 HA LYS A 45 9.470 -17.569 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.650 -16.622 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.354 -18.044 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.969 -17.543 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.142 -18.737 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.600 -19.610 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.023 -18.724 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.885 -20.179 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.600 -20.461 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.961 -22.425 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.110 -21.847 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.354 -21.573 1.652 1.00 0.00 H new ATOM 650 N LYS A 46 9.525 -17.074 -2.655 1.00 0.00 N ATOM 651 CA LYS A 46 10.004 -16.665 -3.965 1.00 0.00 C ATOM 652 C LYS A 46 8.829 -16.145 -4.794 1.00 0.00 C ATOM 653 O LYS A 46 9.011 -15.703 -5.927 1.00 0.00 O ATOM 654 CB LYS A 46 10.772 -17.807 -4.635 1.00 0.00 C ATOM 655 CG LYS A 46 11.780 -17.267 -5.653 1.00 0.00 C ATOM 656 CD LYS A 46 11.274 -17.468 -7.082 1.00 0.00 C ATOM 657 CE LYS A 46 11.677 -16.293 -7.977 1.00 0.00 C ATOM 658 NZ LYS A 46 10.776 -15.141 -7.756 1.00 0.00 N ATOM 0 H LYS A 46 9.391 -18.079 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 46 10.716 -15.845 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.293 -18.393 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.072 -18.478 -5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.954 -16.207 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.737 -17.774 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.679 -18.395 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.189 -17.570 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.706 -16.003 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.640 -16.596 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.074 -15.097 -8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.287 -15.252 -6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.332 -14.262 -7.746 1.00 0.00 H new ATOM 672 N ASP A 47 7.648 -16.217 -4.197 1.00 0.00 N ATOM 673 CA ASP A 47 6.443 -15.759 -4.867 1.00 0.00 C ATOM 674 C ASP A 47 5.772 -14.677 -4.018 1.00 0.00 C ATOM 675 O ASP A 47 4.576 -14.423 -4.159 1.00 0.00 O ATOM 676 CB ASP A 47 5.444 -16.904 -5.049 1.00 0.00 C ATOM 677 CG ASP A 47 4.389 -16.676 -6.133 1.00 0.00 C ATOM 678 OD1 ASP A 47 4.372 -15.553 -6.681 1.00 0.00 O ATOM 679 OD2 ASP A 47 3.624 -17.631 -6.390 1.00 0.00 O ATOM 0 H ASP A 47 7.500 -16.585 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 47 6.728 -15.371 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.996 -17.813 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.936 -17.078 -4.100 1.00 0.00 H new ATOM 684 N GLN A 48 6.571 -14.068 -3.154 1.00 0.00 N ATOM 685 CA GLN A 48 6.069 -13.020 -2.281 1.00 0.00 C ATOM 686 C GLN A 48 7.061 -11.856 -2.227 1.00 0.00 C ATOM 687 O GLN A 48 8.214 -11.998 -2.629 1.00 0.00 O ATOM 688 CB GLN A 48 5.783 -13.563 -0.879 1.00 0.00 C ATOM 689 CG GLN A 48 4.549 -14.465 -0.883 1.00 0.00 C ATOM 690 CD GLN A 48 4.388 -15.180 0.462 1.00 0.00 C ATOM 691 OE1 GLN A 48 5.119 -14.946 1.409 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.392 -16.061 0.490 1.00 0.00 N ATOM 0 H GLN A 48 7.562 -14.280 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 48 5.128 -12.652 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.646 -14.123 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.630 -12.734 -0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.660 -13.870 -1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.635 -15.201 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.818 -16.208 -0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.202 -16.590 1.342 1.00 0.00 H new ATOM 701 N CYS A 49 6.573 -10.730 -1.725 1.00 0.00 N ATOM 702 CA CYS A 49 7.404 -9.541 -1.613 1.00 0.00 C ATOM 703 C CYS A 49 6.953 -8.757 -0.379 1.00 0.00 C ATOM 704 O CYS A 49 5.792 -8.836 0.022 1.00 0.00 O ATOM 705 CB CYS A 49 7.346 -8.690 -2.882 1.00 0.00 C ATOM 706 SG CYS A 49 8.651 -9.219 -4.051 1.00 0.00 S ATOM 0 H CYS A 49 5.616 -10.616 -1.392 1.00 0.00 H new ATOM 0 HA CYS A 49 8.448 -9.832 -1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.366 -8.787 -3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.477 -7.638 -2.630 1.00 0.00 H new ATOM 0 HG CYS A 49 8.907 -10.481 -3.873 1.00 0.00 H new ATOM 712 N LEU A 50 7.894 -8.017 0.189 1.00 0.00 N ATOM 713 CA LEU A 50 7.610 -7.219 1.369 1.00 0.00 C ATOM 714 C LEU A 50 7.103 -5.842 0.937 1.00 0.00 C ATOM 715 O LEU A 50 7.728 -5.176 0.113 1.00 0.00 O ATOM 716 CB LEU A 50 8.832 -7.165 2.287 1.00 0.00 C ATOM 717 CG LEU A 50 8.603 -6.562 3.674 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.679 -7.449 4.511 1.00 0.00 C ATOM 719 CD2 LEU A 50 9.933 -6.292 4.381 1.00 0.00 C ATOM 0 H LEU A 50 8.855 -7.954 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 50 6.818 -7.680 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.213 -8.179 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.612 -6.591 1.787 1.00 0.00 H new ATOM 0 HG LEU A 50 8.103 -5.601 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.532 -6.998 5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.716 -7.547 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.129 -8.435 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.742 -5.864 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.482 -7.227 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.524 -5.593 3.790 1.00 0.00 H new ATOM 731 N VAL A 51 5.975 -5.454 1.514 1.00 0.00 N ATOM 732 CA VAL A 51 5.376 -4.168 1.199 1.00 0.00 C ATOM 733 C VAL A 51 5.090 -3.412 2.498 1.00 0.00 C ATOM 734 O VAL A 51 5.080 -4.005 3.576 1.00 0.00 O ATOM 735 CB VAL A 51 4.129 -4.368 0.336 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.376 -5.414 -0.752 1.00 0.00 C ATOM 737 CG2 VAL A 51 2.921 -4.749 1.197 1.00 0.00 C ATOM 0 H VAL A 51 5.460 -6.008 2.198 1.00 0.00 H new ATOM 0 HA VAL A 51 6.065 -3.559 0.613 1.00 0.00 H new ATOM 0 HB VAL A 51 3.907 -3.420 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.473 -5.536 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.195 -5.086 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.636 -6.366 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.048 -4.885 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.131 -5.678 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.723 -3.956 1.918 1.00 0.00 H new ATOM 747 N ARG A 52 4.864 -2.115 2.352 1.00 0.00 N ATOM 748 CA ARG A 52 4.579 -1.272 3.501 1.00 0.00 C ATOM 749 C ARG A 52 3.198 -0.627 3.356 1.00 0.00 C ATOM 750 O ARG A 52 3.009 0.261 2.526 1.00 0.00 O ATOM 751 CB ARG A 52 5.633 -0.174 3.655 1.00 0.00 C ATOM 752 CG ARG A 52 6.544 -0.453 4.851 1.00 0.00 C ATOM 753 CD ARG A 52 7.540 0.689 5.061 1.00 0.00 C ATOM 754 NE ARG A 52 8.579 0.655 4.009 1.00 0.00 N ATOM 755 CZ ARG A 52 9.804 1.180 4.145 1.00 0.00 C ATOM 756 NH1 ARG A 52 10.151 1.784 5.290 1.00 0.00 N ATOM 757 NH2 ARG A 52 10.683 1.102 3.136 1.00 0.00 N ATOM 0 H ARG A 52 4.872 -1.627 1.456 1.00 0.00 H new ATOM 0 HA ARG A 52 4.598 -1.904 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.230 -0.108 2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.142 0.791 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.941 -0.584 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.084 -1.386 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.019 1.646 5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.003 0.602 6.044 1.00 0.00 H new ATOM 0 HE ARG A 52 8.348 0.203 3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.482 1.844 6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.084 2.184 5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.419 0.643 2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.616 1.502 3.240 1.00 0.00 H new ATOM 771 N SER A 53 2.271 -1.097 4.176 1.00 0.00 N ATOM 772 CA SER A 53 0.914 -0.578 4.149 1.00 0.00 C ATOM 773 C SER A 53 0.912 0.900 4.548 1.00 0.00 C ATOM 774 O SER A 53 1.801 1.353 5.267 1.00 0.00 O ATOM 775 CB SER A 53 -0.001 -1.380 5.076 1.00 0.00 C ATOM 776 OG SER A 53 -1.363 -0.972 4.965 1.00 0.00 O ATOM 0 H SER A 53 2.432 -1.832 4.864 1.00 0.00 H new ATOM 0 HA SER A 53 0.530 -0.674 3.133 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.081 -2.440 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.331 -1.259 6.107 1.00 0.00 H new ATOM 0 HG SER A 53 -1.770 -1.399 4.183 1.00 0.00 H new ATOM 782 N PHE A 54 -0.097 1.609 4.064 1.00 0.00 N ATOM 783 CA PHE A 54 -0.227 3.025 4.361 1.00 0.00 C ATOM 784 C PHE A 54 -1.403 3.282 5.305 1.00 0.00 C ATOM 785 O PHE A 54 -1.798 4.429 5.512 1.00 0.00 O ATOM 786 CB PHE A 54 -0.489 3.739 3.033 1.00 0.00 C ATOM 787 CG PHE A 54 0.756 3.896 2.155 1.00 0.00 C ATOM 788 CD1 PHE A 54 1.693 4.831 2.466 1.00 0.00 C ATOM 789 CD2 PHE A 54 0.923 3.100 1.066 1.00 0.00 C ATOM 790 CE1 PHE A 54 2.847 4.977 1.651 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.077 3.245 0.251 1.00 0.00 C ATOM 792 CZ PHE A 54 3.015 4.181 0.561 1.00 0.00 C ATOM 0 H PHE A 54 -0.832 1.229 3.468 1.00 0.00 H new ATOM 0 HA PHE A 54 0.679 3.388 4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.246 3.185 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.903 4.726 3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.560 5.462 3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.178 2.357 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.591 5.720 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.210 2.613 -0.614 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.893 4.292 -0.058 1.00 0.00 H new ATOM 802 N ILE A 55 -1.930 2.197 5.851 1.00 0.00 N ATOM 803 CA ILE A 55 -3.054 2.290 6.768 1.00 0.00 C ATOM 804 C ILE A 55 -2.533 2.299 8.206 1.00 0.00 C ATOM 805 O ILE A 55 -2.700 3.284 8.924 1.00 0.00 O ATOM 806 CB ILE A 55 -4.068 1.178 6.488 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.665 1.321 5.087 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.148 1.136 7.570 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.499 0.093 4.719 1.00 0.00 C ATOM 0 H ILE A 55 -1.600 1.248 5.676 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.592 3.226 6.617 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.545 0.222 6.519 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.288 2.215 5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.865 1.453 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.856 0.337 7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.685 0.951 8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.674 2.090 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.912 0.220 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.868 -0.795 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.312 -0.022 5.435 1.00 0.00 H new ATOM 821 N ASP A 56 -1.912 1.192 8.584 1.00 0.00 N ATOM 822 CA ASP A 56 -1.366 1.061 9.925 1.00 0.00 C ATOM 823 C ASP A 56 0.149 1.273 9.876 1.00 0.00 C ATOM 824 O ASP A 56 0.803 1.345 10.916 1.00 0.00 O ATOM 825 CB ASP A 56 -1.629 -0.336 10.493 1.00 0.00 C ATOM 826 CG ASP A 56 -1.196 -0.534 11.946 1.00 0.00 C ATOM 827 OD1 ASP A 56 -1.099 0.491 12.655 1.00 0.00 O ATOM 828 OD2 ASP A 56 -0.974 -1.708 12.317 1.00 0.00 O ATOM 0 H ASP A 56 -1.774 0.377 7.986 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.847 1.805 10.560 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.695 -0.549 10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.112 -1.068 9.872 1.00 0.00 H new ATOM 833 N SER A 57 0.662 1.368 8.659 1.00 0.00 N ATOM 834 CA SER A 57 2.088 1.570 8.461 1.00 0.00 C ATOM 835 C SER A 57 2.865 0.355 8.973 1.00 0.00 C ATOM 836 O SER A 57 3.789 0.497 9.773 1.00 0.00 O ATOM 837 CB SER A 57 2.566 2.841 9.165 1.00 0.00 C ATOM 838 OG SER A 57 2.031 4.018 8.564 1.00 0.00 O ATOM 0 H SER A 57 0.116 1.309 7.799 1.00 0.00 H new ATOM 0 HA SER A 57 2.272 1.687 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.275 2.805 10.215 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.655 2.883 9.138 1.00 0.00 H new ATOM 0 HG SER A 57 2.358 4.808 9.043 1.00 0.00 H new ATOM 844 N LYS A 58 2.460 -0.811 8.493 1.00 0.00 N ATOM 845 CA LYS A 58 3.108 -2.049 8.892 1.00 0.00 C ATOM 846 C LYS A 58 3.781 -2.685 7.674 1.00 0.00 C ATOM 847 O LYS A 58 3.624 -2.203 6.552 1.00 0.00 O ATOM 848 CB LYS A 58 2.110 -2.973 9.595 1.00 0.00 C ATOM 849 CG LYS A 58 1.849 -2.508 11.028 1.00 0.00 C ATOM 850 CD LYS A 58 2.458 -3.482 12.040 1.00 0.00 C ATOM 851 CE LYS A 58 2.933 -2.745 13.293 1.00 0.00 C ATOM 852 NZ LYS A 58 3.989 -3.521 13.983 1.00 0.00 N ATOM 0 H LYS A 58 1.692 -0.925 7.832 1.00 0.00 H new ATOM 0 HA LYS A 58 3.893 -1.849 9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.173 -2.993 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.497 -3.992 9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.272 -1.514 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.775 -2.426 11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.720 -4.235 12.315 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.296 -4.009 11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.316 -1.762 13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.092 -2.584 13.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.300 -3.006 14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.612 -4.450 14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.798 -3.653 13.342 1.00 0.00 H new ATOM 866 N PHE A 59 4.516 -3.756 7.935 1.00 0.00 N ATOM 867 CA PHE A 59 5.212 -4.461 6.873 1.00 0.00 C ATOM 868 C PHE A 59 4.551 -5.810 6.583 1.00 0.00 C ATOM 869 O PHE A 59 4.685 -6.752 7.363 1.00 0.00 O ATOM 870 CB PHE A 59 6.643 -4.704 7.360 1.00 0.00 C ATOM 871 CG PHE A 59 7.536 -3.462 7.310 1.00 0.00 C ATOM 872 CD1 PHE A 59 8.128 -3.097 6.141 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.739 -2.723 8.434 1.00 0.00 C ATOM 874 CE1 PHE A 59 8.957 -1.945 6.094 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.568 -1.572 8.387 1.00 0.00 C ATOM 876 CZ PHE A 59 9.159 -1.207 7.219 1.00 0.00 C ATOM 0 H PHE A 59 4.644 -4.152 8.866 1.00 0.00 H new ATOM 0 HA PHE A 59 5.187 -3.870 5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.609 -5.074 8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.094 -5.488 6.753 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.968 -3.683 5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.269 -3.012 9.362 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.427 -1.655 5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.729 -0.986 9.280 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.789 -0.331 7.184 1.00 0.00 H new ATOM 886 N TYR A 60 3.849 -5.859 5.460 1.00 0.00 N ATOM 887 CA TYR A 60 3.165 -7.077 5.058 1.00 0.00 C ATOM 888 C TYR A 60 3.831 -7.700 3.829 1.00 0.00 C ATOM 889 O TYR A 60 4.379 -6.989 2.989 1.00 0.00 O ATOM 890 CB TYR A 60 1.739 -6.658 4.693 1.00 0.00 C ATOM 891 CG TYR A 60 0.924 -6.131 5.875 1.00 0.00 C ATOM 892 CD1 TYR A 60 0.281 -7.014 6.718 1.00 0.00 C ATOM 893 CD2 TYR A 60 0.830 -4.772 6.098 1.00 0.00 C ATOM 894 CE1 TYR A 60 -0.487 -6.519 7.831 1.00 0.00 C ATOM 895 CE2 TYR A 60 0.063 -4.276 7.211 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.558 -5.173 8.023 1.00 0.00 C ATOM 897 OH TYR A 60 -1.283 -4.705 9.073 1.00 0.00 O ATOM 0 H TYR A 60 3.739 -5.075 4.816 1.00 0.00 H new ATOM 0 HA TYR A 60 3.192 -7.815 5.859 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.783 -5.888 3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.220 -7.513 4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.354 -8.077 6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.332 -4.081 5.437 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.995 -7.200 8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.017 -3.215 7.397 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.244 -3.726 9.087 1.00 0.00 H new ATOM 907 N SER A 61 3.762 -9.022 3.765 1.00 0.00 N ATOM 908 CA SER A 61 4.351 -9.748 2.654 1.00 0.00 C ATOM 909 C SER A 61 3.262 -10.485 1.873 1.00 0.00 C ATOM 910 O SER A 61 2.737 -11.497 2.337 1.00 0.00 O ATOM 911 CB SER A 61 5.414 -10.735 3.142 1.00 0.00 C ATOM 912 OG SER A 61 5.738 -11.705 2.151 1.00 0.00 O ATOM 0 H SER A 61 3.307 -9.608 4.465 1.00 0.00 H new ATOM 0 HA SER A 61 4.837 -9.028 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.315 -10.188 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.055 -11.239 4.039 1.00 0.00 H new ATOM 0 HG SER A 61 6.421 -12.315 2.501 1.00 0.00 H new ATOM 918 N ILE A 62 2.952 -9.949 0.701 1.00 0.00 N ATOM 919 CA ILE A 62 1.935 -10.544 -0.149 1.00 0.00 C ATOM 920 C ILE A 62 2.584 -11.049 -1.439 1.00 0.00 C ATOM 921 O ILE A 62 3.789 -10.897 -1.632 1.00 0.00 O ATOM 922 CB ILE A 62 0.790 -9.557 -0.382 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.033 -8.246 0.369 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.558 -10.184 -0.019 1.00 0.00 C ATOM 925 CD1 ILE A 62 1.043 -8.476 1.882 1.00 0.00 C ATOM 0 H ILE A 62 3.388 -9.109 0.320 1.00 0.00 H new ATOM 0 HA ILE A 62 1.487 -11.409 0.341 1.00 0.00 H new ATOM 0 HB ILE A 62 0.758 -9.318 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.984 -7.814 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.256 -7.526 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.355 -9.461 -0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.727 -11.066 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.554 -10.472 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.218 -7.529 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.082 -8.885 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.837 -9.178 2.138 1.00 0.00 H new ATOM 937 N ALA A 63 1.756 -11.640 -2.288 1.00 0.00 N ATOM 938 CA ALA A 63 2.235 -12.169 -3.554 1.00 0.00 C ATOM 939 C ALA A 63 2.186 -11.066 -4.613 1.00 0.00 C ATOM 940 O ALA A 63 1.223 -10.303 -4.677 1.00 0.00 O ATOM 941 CB ALA A 63 1.400 -13.390 -3.945 1.00 0.00 C ATOM 0 H ALA A 63 0.757 -11.764 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 63 3.271 -12.497 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.759 -13.787 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.491 -14.155 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.354 -13.099 -4.045 1.00 0.00 H new ATOM 947 N ARG A 64 3.238 -11.016 -5.418 1.00 0.00 N ATOM 948 CA ARG A 64 3.327 -10.018 -6.471 1.00 0.00 C ATOM 949 C ARG A 64 2.144 -10.153 -7.431 1.00 0.00 C ATOM 950 O ARG A 64 1.876 -9.251 -8.223 1.00 0.00 O ATOM 951 CB ARG A 64 4.632 -10.163 -7.256 1.00 0.00 C ATOM 952 CG ARG A 64 5.811 -9.588 -6.471 1.00 0.00 C ATOM 953 CD ARG A 64 6.370 -8.339 -7.156 1.00 0.00 C ATOM 954 NE ARG A 64 7.753 -8.591 -7.620 1.00 0.00 N ATOM 955 CZ ARG A 64 8.376 -7.863 -8.556 1.00 0.00 C ATOM 956 NH1 ARG A 64 7.744 -6.832 -9.133 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.632 -8.165 -8.913 1.00 0.00 N ATOM 0 H ARG A 64 4.035 -11.650 -5.362 1.00 0.00 H new ATOM 0 HA ARG A 64 3.306 -9.035 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.814 -11.215 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.543 -9.650 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.492 -9.340 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.595 -10.340 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.739 -8.065 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.358 -7.498 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 64 8.264 -9.368 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.789 -6.602 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.218 -6.277 -9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.113 -8.949 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.107 -7.611 -9.626 1.00 0.00 H new ATOM 971 N LYS A 65 1.466 -11.287 -7.330 1.00 0.00 N ATOM 972 CA LYS A 65 0.318 -11.553 -8.180 1.00 0.00 C ATOM 973 C LYS A 65 -0.868 -10.711 -7.704 1.00 0.00 C ATOM 974 O LYS A 65 -1.691 -10.280 -8.510 1.00 0.00 O ATOM 975 CB LYS A 65 0.025 -13.053 -8.233 1.00 0.00 C ATOM 976 CG LYS A 65 -0.659 -13.524 -6.947 1.00 0.00 C ATOM 977 CD LYS A 65 -0.584 -15.046 -6.811 1.00 0.00 C ATOM 978 CE LYS A 65 -1.442 -15.535 -5.644 1.00 0.00 C ATOM 979 NZ LYS A 65 -1.449 -17.015 -5.589 1.00 0.00 N ATOM 0 H LYS A 65 1.690 -12.033 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 65 0.529 -11.258 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.612 -13.273 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.954 -13.604 -8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.184 -13.055 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.702 -13.207 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.921 -15.514 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.451 -15.350 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.056 -15.132 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.461 -15.165 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.036 -17.330 -4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.838 -17.394 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.477 -17.362 -5.462 1.00 0.00 H new ATOM 993 N ASP A 66 -0.916 -10.501 -6.397 1.00 0.00 N ATOM 994 CA ASP A 66 -1.988 -9.718 -5.804 1.00 0.00 C ATOM 995 C ASP A 66 -1.666 -8.229 -5.950 1.00 0.00 C ATOM 996 O ASP A 66 -2.550 -7.384 -5.813 1.00 0.00 O ATOM 997 CB ASP A 66 -2.136 -10.027 -4.313 1.00 0.00 C ATOM 998 CG ASP A 66 -0.934 -9.636 -3.450 1.00 0.00 C ATOM 999 OD1 ASP A 66 -0.567 -8.442 -3.495 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.410 -10.540 -2.765 1.00 0.00 O ATOM 0 H ASP A 66 -0.231 -10.859 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.915 -9.971 -6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.019 -9.510 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.317 -11.095 -4.195 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.400 -7.954 -6.225 1.00 0.00 N ATOM 1006 CA ILE A 67 0.048 -6.582 -6.390 1.00 0.00 C ATOM 1007 C ILE A 67 -0.152 -6.157 -7.847 1.00 0.00 C ATOM 1008 O ILE A 67 0.236 -6.875 -8.766 1.00 0.00 O ATOM 1009 CB ILE A 67 1.489 -6.426 -5.897 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.665 -7.055 -4.513 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.920 -4.959 -5.919 1.00 0.00 C ATOM 1012 CD1 ILE A 67 3.111 -6.922 -4.031 1.00 0.00 C ATOM 0 H ILE A 67 0.330 -8.658 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.550 -5.909 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 67 2.145 -6.964 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.995 -6.572 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.385 -8.108 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.947 -4.876 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.856 -4.576 -6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.264 -4.377 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.209 -7.377 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.776 -7.427 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.379 -5.867 -3.972 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.758 -4.990 -8.010 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.015 -4.460 -9.339 1.00 0.00 C ATOM 1026 C LYS A 68 -1.086 -2.933 -9.268 1.00 0.00 C ATOM 1027 O LYS A 68 -1.679 -2.378 -8.344 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.263 -5.107 -9.941 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.485 -4.875 -9.051 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.326 -3.706 -9.567 1.00 0.00 C ATOM 1031 CE LYS A 68 -4.872 -3.999 -10.966 1.00 0.00 C ATOM 1032 NZ LYS A 68 -4.525 -2.903 -11.898 1.00 0.00 N ATOM 0 H LYS A 68 -1.078 -4.397 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.197 -4.711 -10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.448 -4.695 -10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.098 -6.177 -10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.093 -5.779 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.162 -4.672 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.153 -3.518 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.720 -2.800 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.462 -4.940 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.955 -4.118 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.393 -2.418 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.899 -2.225 -11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.038 -3.295 -12.729 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.474 -2.298 -10.257 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.461 -0.846 -10.319 1.00 0.00 C ATOM 1048 C GLU A 69 -1.798 -0.282 -9.834 1.00 0.00 C ATOM 1049 O GLU A 69 -2.854 -0.848 -10.117 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.143 -0.361 -11.735 1.00 0.00 C ATOM 1051 CG GLU A 69 0.251 1.118 -11.732 1.00 0.00 C ATOM 1052 CD GLU A 69 -0.952 2.007 -12.054 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -1.801 1.547 -12.847 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -0.996 3.125 -11.497 1.00 0.00 O ATOM 0 H GLU A 69 0.016 -2.762 -11.022 1.00 0.00 H new ATOM 0 HA GLU A 69 0.326 -0.481 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.668 -0.956 -12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.011 -0.509 -12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.656 1.388 -10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.040 1.289 -12.464 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.710 0.825 -9.111 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.899 1.471 -8.585 1.00 0.00 C ATOM 1063 C VAL A 70 -2.717 2.989 -8.643 1.00 0.00 C ATOM 1064 O VAL A 70 -1.674 3.509 -8.253 1.00 0.00 O ATOM 1065 CB VAL A 70 -3.191 0.959 -7.172 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -2.147 1.470 -6.177 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.604 1.344 -6.731 1.00 0.00 C ATOM 0 H VAL A 70 -0.833 1.290 -8.877 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.769 1.223 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.131 -0.129 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.378 1.092 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.158 1.123 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.160 2.560 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.786 0.968 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.704 2.429 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.331 0.909 -7.417 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.751 3.658 -9.135 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.718 5.106 -9.250 1.00 0.00 C ATOM 1079 C ASP A 71 -4.321 5.727 -7.989 1.00 0.00 C ATOM 1080 O ASP A 71 -5.521 5.987 -7.932 1.00 0.00 O ATOM 1081 CB ASP A 71 -4.541 5.581 -10.450 1.00 0.00 C ATOM 1082 CG ASP A 71 -4.384 4.738 -11.716 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -3.241 4.672 -12.216 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -5.412 4.179 -12.157 1.00 0.00 O ATOM 0 H ASP A 71 -4.616 3.224 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.680 5.411 -9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.594 5.593 -10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.261 6.609 -10.679 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.458 5.948 -7.007 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.890 6.533 -5.749 1.00 0.00 C ATOM 1091 C ILE A 72 -4.032 8.047 -5.920 1.00 0.00 C ATOM 1092 O ILE A 72 -5.028 8.632 -5.496 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.944 6.128 -4.617 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.756 4.610 -4.576 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.426 6.683 -3.275 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -4.061 3.887 -4.920 1.00 0.00 C ATOM 0 H ILE A 72 -2.462 5.732 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.870 6.149 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.966 6.568 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.977 4.317 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.419 4.308 -3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.736 6.381 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.466 7.771 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.420 6.293 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.900 2.809 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.831 4.164 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.382 4.173 -5.922 1.00 0.00 H new ATOM 1108 N LEU A 73 -3.021 8.640 -6.539 1.00 0.00 N ATOM 1109 CA LEU A 73 -3.021 10.073 -6.769 1.00 0.00 C ATOM 1110 C LEU A 73 -4.134 10.426 -7.759 1.00 0.00 C ATOM 1111 O LEU A 73 -4.430 11.601 -7.971 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.634 10.546 -7.210 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.736 11.110 -6.108 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.506 11.777 -6.701 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.517 12.060 -5.197 1.00 0.00 C ATOM 0 H LEU A 73 -2.196 8.152 -6.888 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.235 10.607 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.118 9.708 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.759 11.311 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.392 10.281 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.127 12.170 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.074 11.044 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.203 12.593 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.855 12.447 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.909 12.889 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.343 11.522 -4.733 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.718 9.388 -8.337 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.792 9.574 -9.299 1.00 0.00 C ATOM 1129 C ASN A 74 -7.139 9.416 -8.590 1.00 0.00 C ATOM 1130 O ASN A 74 -8.189 9.467 -9.228 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.720 8.528 -10.414 1.00 0.00 C ATOM 1132 CG ASN A 74 -6.780 8.794 -11.484 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -7.083 9.924 -11.828 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -7.326 7.692 -11.990 1.00 0.00 N ATOM 0 H ASN A 74 -4.469 8.415 -8.158 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.689 10.570 -9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.729 8.542 -10.867 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.864 7.533 -9.994 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.044 7.763 -12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.027 6.775 -11.657 1.00 0.00 H new ATOM 1141 N LEU A 75 -7.064 9.230 -7.281 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.264 9.065 -6.478 1.00 0.00 C ATOM 1143 C LEU A 75 -8.797 10.442 -6.077 1.00 0.00 C ATOM 1144 O LEU A 75 -8.039 11.406 -5.998 1.00 0.00 O ATOM 1145 CB LEU A 75 -7.992 8.141 -5.290 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.839 6.654 -5.616 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.396 5.864 -4.384 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -9.126 6.091 -6.225 1.00 0.00 C ATOM 0 H LEU A 75 -6.191 9.190 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.046 8.576 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.082 8.479 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.806 8.253 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.054 6.548 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.295 4.810 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.437 6.245 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.140 5.973 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.991 5.033 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.946 6.211 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.359 6.628 -7.144 1.00 0.00 H new ATOM 1160 N PRO A 76 -10.134 10.491 -5.829 1.00 0.00 N ATOM 1161 CA PRO A 76 -10.777 11.734 -5.439 1.00 0.00 C ATOM 1162 C PRO A 76 -10.459 12.082 -3.983 1.00 0.00 C ATOM 1163 O PRO A 76 -10.339 11.194 -3.140 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.259 11.503 -5.683 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.440 9.996 -5.759 1.00 0.00 C ATOM 1166 CD PRO A 76 -11.064 9.368 -5.913 1.00 0.00 C ATOM 0 HA PRO A 76 -10.421 12.590 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.858 11.928 -4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.582 11.982 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.930 9.625 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.077 9.730 -6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.873 8.636 -5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.971 8.847 -6.866 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.330 13.377 -3.733 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.029 13.854 -2.394 1.00 0.00 C ATOM 1176 C GLU A 77 -10.915 13.148 -1.366 1.00 0.00 C ATOM 1177 O GLU A 77 -10.538 13.014 -0.203 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.187 15.373 -2.304 1.00 0.00 C ATOM 1179 CG GLU A 77 -8.850 16.079 -2.542 1.00 0.00 C ATOM 1180 CD GLU A 77 -8.833 17.458 -1.880 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -9.787 18.224 -2.140 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -7.868 17.716 -1.130 1.00 0.00 O ATOM 0 H GLU A 77 -10.428 14.110 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.989 13.617 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.917 15.710 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.576 15.644 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.038 15.471 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.675 16.183 -3.613 1.00 0.00 H new ATOM 1189 N SER A 78 -12.078 12.716 -1.833 1.00 0.00 N ATOM 1190 CA SER A 78 -13.022 12.028 -0.969 1.00 0.00 C ATOM 1191 C SER A 78 -12.390 10.748 -0.417 1.00 0.00 C ATOM 1192 O SER A 78 -12.254 10.592 0.796 1.00 0.00 O ATOM 1193 CB SER A 78 -14.316 11.700 -1.717 1.00 0.00 C ATOM 1194 OG SER A 78 -15.332 12.669 -1.474 1.00 0.00 O ATOM 0 H SER A 78 -12.387 12.829 -2.798 1.00 0.00 H new ATOM 0 HA SER A 78 -13.271 12.690 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.113 11.647 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.672 10.716 -1.411 1.00 0.00 H new ATOM 0 HG SER A 78 -16.141 12.426 -1.970 1.00 0.00 H new ATOM 1200 N GLU A 79 -12.019 9.866 -1.333 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.404 8.606 -0.954 1.00 0.00 C ATOM 1202 C GLU A 79 -10.206 8.856 -0.035 1.00 0.00 C ATOM 1203 O GLU A 79 -10.081 8.224 1.013 1.00 0.00 O ATOM 1204 CB GLU A 79 -10.991 7.804 -2.189 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.217 7.332 -2.973 1.00 0.00 C ATOM 1206 CD GLU A 79 -13.256 6.707 -2.039 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -12.846 5.857 -1.221 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -14.438 7.095 -2.166 1.00 0.00 O ATOM 0 H GLU A 79 -12.133 9.999 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.139 8.015 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.359 8.418 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.396 6.943 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.660 8.174 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.914 6.604 -3.726 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.355 9.777 -0.463 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.171 10.118 0.308 1.00 0.00 C ATOM 1217 C LEU A 80 -8.596 10.645 1.681 1.00 0.00 C ATOM 1218 O LEU A 80 -8.194 10.102 2.709 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.283 11.086 -0.474 1.00 0.00 C ATOM 1220 CG LEU A 80 -6.985 10.700 -1.925 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.138 11.771 -2.615 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.335 9.318 -2.003 1.00 0.00 C ATOM 0 H LEU A 80 -9.462 10.298 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.561 9.232 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.758 12.067 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.336 11.188 0.056 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.931 10.641 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.941 11.472 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.675 12.719 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.193 11.886 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.134 9.069 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.399 9.324 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.008 8.575 -1.575 1.00 0.00 H new ATOM 1234 N SER A 81 -9.402 11.696 1.652 1.00 0.00 N ATOM 1235 CA SER A 81 -9.885 12.302 2.881 1.00 0.00 C ATOM 1236 C SER A 81 -10.380 11.219 3.839 1.00 0.00 C ATOM 1237 O SER A 81 -10.094 11.264 5.035 1.00 0.00 O ATOM 1238 CB SER A 81 -11.001 13.310 2.596 1.00 0.00 C ATOM 1239 OG SER A 81 -10.488 14.613 2.329 1.00 0.00 O ATOM 0 H SER A 81 -9.733 12.143 0.797 1.00 0.00 H new ATOM 0 HA SER A 81 -9.058 12.838 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.588 12.970 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.676 13.354 3.450 1.00 0.00 H new ATOM 0 HG SER A 81 -10.297 14.699 1.372 1.00 0.00 H new ATOM 1245 N THR A 82 -11.115 10.269 3.280 1.00 0.00 N ATOM 1246 CA THR A 82 -11.654 9.175 4.069 1.00 0.00 C ATOM 1247 C THR A 82 -10.602 8.080 4.251 1.00 0.00 C ATOM 1248 O THR A 82 -9.911 8.040 5.268 1.00 0.00 O ATOM 1249 CB THR A 82 -12.932 8.683 3.387 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.494 8.243 2.105 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.906 9.822 3.078 1.00 0.00 C ATOM 0 H THR A 82 -11.350 10.235 2.288 1.00 0.00 H new ATOM 0 HA THR A 82 -11.913 9.504 5.075 1.00 0.00 H new ATOM 0 HB THR A 82 -13.424 7.948 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.580 8.976 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.796 9.419 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.191 10.319 4.005 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.426 10.541 2.414 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.512 7.218 3.249 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.554 6.125 3.284 1.00 0.00 C ATOM 1261 C LYS A 83 -8.184 6.667 3.694 1.00 0.00 C ATOM 1262 O LYS A 83 -7.635 7.544 3.029 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.547 5.375 1.950 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.419 4.120 2.022 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.905 4.483 2.002 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.683 3.667 3.036 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.032 2.337 2.490 1.00 0.00 N ATOM 0 H LYS A 83 -11.087 7.254 2.407 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.843 5.389 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.911 6.030 1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.525 5.098 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.190 3.465 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.189 3.565 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.026 5.547 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.314 4.302 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.086 3.550 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.591 4.200 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.560 1.796 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.620 2.454 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.162 1.825 2.241 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.656 6.106 4.816 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.359 6.524 5.321 1.00 0.00 C ATOM 1283 C PRO A 84 -5.228 5.955 4.463 1.00 0.00 C ATOM 1284 O PRO A 84 -4.356 6.696 4.009 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.321 6.030 6.758 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.393 4.958 6.860 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.277 5.065 5.628 1.00 0.00 C ATOM 0 HA PRO A 84 -6.219 7.604 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.340 5.625 7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.516 6.844 7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.939 3.969 6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.983 5.093 7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.323 4.118 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.300 5.329 5.896 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.276 4.646 4.266 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.266 3.970 3.470 1.00 0.00 C ATOM 1297 C GLY A 85 -4.009 4.718 2.160 1.00 0.00 C ATOM 1298 O GLY A 85 -2.866 5.037 1.838 1.00 0.00 O ATOM 0 H GLY A 85 -6.000 4.035 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.339 3.896 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.589 2.952 3.254 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.092 4.976 1.441 1.00 0.00 N ATOM 1303 CA LEU A 86 -4.998 5.680 0.174 1.00 0.00 C ATOM 1304 C LEU A 86 -4.326 7.036 0.397 1.00 0.00 C ATOM 1305 O LEU A 86 -3.403 7.403 -0.329 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.374 5.777 -0.488 1.00 0.00 C ATOM 1307 CG LEU A 86 -7.047 4.447 -0.835 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.508 4.660 -1.235 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.261 3.699 -1.913 1.00 0.00 C ATOM 0 H LEU A 86 -6.039 4.710 1.712 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.372 5.125 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.036 6.334 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.275 6.361 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.045 3.821 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.963 3.699 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.049 5.120 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.555 5.313 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.761 2.758 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.209 4.309 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.252 3.496 -1.553 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.815 7.744 1.404 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.273 9.052 1.733 1.00 0.00 C ATOM 1323 C GLN A 87 -2.758 8.963 1.933 1.00 0.00 C ATOM 1324 O GLN A 87 -1.990 9.400 1.077 1.00 0.00 O ATOM 1325 CB GLN A 87 -4.956 9.633 2.972 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.544 11.090 3.193 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.770 12.003 3.256 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.583 11.932 4.163 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -5.858 12.861 2.243 1.00 0.00 N ATOM 0 H GLN A 87 -5.581 7.437 2.003 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.472 9.726 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.038 9.571 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.693 9.040 3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.975 11.174 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.887 11.412 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.142 12.867 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.641 13.512 2.193 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.375 8.397 3.067 1.00 0.00 N ATOM 1339 CA LYS A 88 -0.966 8.246 3.389 1.00 0.00 C ATOM 1340 C LYS A 88 -0.204 7.811 2.136 1.00 0.00 C ATOM 1341 O LYS A 88 0.907 8.276 1.889 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.786 7.299 4.577 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.739 8.076 5.895 1.00 0.00 C ATOM 1344 CD LYS A 88 0.701 8.422 6.276 1.00 0.00 C ATOM 1345 CE LYS A 88 0.950 9.928 6.164 1.00 0.00 C ATOM 1346 NZ LYS A 88 2.151 10.196 5.342 1.00 0.00 N ATOM 0 H LYS A 88 -3.015 8.037 3.775 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.544 9.200 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.606 6.582 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.134 6.727 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.324 8.991 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.196 7.483 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.901 8.091 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.392 7.886 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.082 10.414 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.080 10.356 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.305 11.222 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.980 9.749 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.013 9.805 4.388 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.833 6.925 1.377 1.00 0.00 N ATOM 1361 CA ALA A 89 -0.227 6.422 0.156 1.00 0.00 C ATOM 1362 C ALA A 89 -0.060 7.575 -0.837 1.00 0.00 C ATOM 1363 O ALA A 89 1.023 7.773 -1.385 1.00 0.00 O ATOM 1364 CB ALA A 89 -1.083 5.287 -0.408 1.00 0.00 C ATOM 0 H ALA A 89 -1.756 6.543 1.584 1.00 0.00 H new ATOM 0 HA ALA A 89 0.763 6.014 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.629 4.909 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.148 4.482 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.084 5.660 -0.626 1.00 0.00 H new ATOM 1370 N SER A 90 -1.148 8.304 -1.036 1.00 0.00 N ATOM 1371 CA SER A 90 -1.135 9.431 -1.953 1.00 0.00 C ATOM 1372 C SER A 90 -0.134 10.484 -1.474 1.00 0.00 C ATOM 1373 O SER A 90 0.655 11.001 -2.264 1.00 0.00 O ATOM 1374 CB SER A 90 -2.528 10.046 -2.089 1.00 0.00 C ATOM 1375 OG SER A 90 -3.169 9.657 -3.301 1.00 0.00 O ATOM 0 H SER A 90 -2.044 8.136 -0.578 1.00 0.00 H new ATOM 0 HA SER A 90 -0.830 9.069 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.142 9.743 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.449 11.133 -2.053 1.00 0.00 H new ATOM 0 HG SER A 90 -4.057 10.070 -3.349 1.00 0.00 H new ATOM 1381 N ILE A 91 -0.198 10.770 -0.182 1.00 0.00 N ATOM 1382 CA ILE A 91 0.693 11.753 0.412 1.00 0.00 C ATOM 1383 C ILE A 91 2.127 11.478 -0.047 1.00 0.00 C ATOM 1384 O ILE A 91 2.812 12.380 -0.526 1.00 0.00 O ATOM 1385 CB ILE A 91 0.527 11.776 1.932 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.845 12.325 2.327 1.00 0.00 C ATOM 1387 CG2 ILE A 91 1.667 12.550 2.597 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -0.883 12.692 3.811 1.00 0.00 C ATOM 0 H ILE A 91 -0.853 10.339 0.470 1.00 0.00 H new ATOM 0 HA ILE A 91 0.436 12.756 0.071 1.00 0.00 H new ATOM 0 HB ILE A 91 0.579 10.750 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.076 13.204 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.613 11.582 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.524 12.551 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.618 12.075 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.672 13.577 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.870 13.080 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.676 11.805 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.130 13.453 4.017 1.00 0.00 H new ATOM 1400 N PHE A 92 2.537 10.228 0.118 1.00 0.00 N ATOM 1401 CA PHE A 92 3.876 9.824 -0.274 1.00 0.00 C ATOM 1402 C PHE A 92 4.065 9.941 -1.788 1.00 0.00 C ATOM 1403 O PHE A 92 5.191 9.906 -2.281 1.00 0.00 O ATOM 1404 CB PHE A 92 4.038 8.358 0.137 1.00 0.00 C ATOM 1405 CG PHE A 92 5.125 7.611 -0.640 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.431 7.950 -0.478 1.00 0.00 C ATOM 1407 CD2 PHE A 92 4.783 6.609 -1.492 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.440 7.257 -1.198 1.00 0.00 C ATOM 1409 CE2 PHE A 92 5.791 5.915 -2.213 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.098 6.254 -2.051 1.00 0.00 C ATOM 0 H PHE A 92 1.966 9.483 0.517 1.00 0.00 H new ATOM 0 HA PHE A 92 4.614 10.466 0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.270 8.313 1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.087 7.844 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.702 8.747 0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.745 6.340 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.478 7.526 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.520 5.118 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.865 5.727 -2.600 1.00 0.00 H new ATOM 1420 N LEU A 93 2.944 10.077 -2.482 1.00 0.00 N ATOM 1421 CA LEU A 93 2.972 10.200 -3.930 1.00 0.00 C ATOM 1422 C LEU A 93 3.065 11.679 -4.311 1.00 0.00 C ATOM 1423 O LEU A 93 3.298 12.011 -5.472 1.00 0.00 O ATOM 1424 CB LEU A 93 1.773 9.480 -4.551 1.00 0.00 C ATOM 1425 CG LEU A 93 1.812 7.951 -4.505 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.942 7.347 -5.609 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.251 7.437 -4.564 1.00 0.00 C ATOM 0 H LEU A 93 2.012 10.105 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 93 3.856 9.710 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.869 9.816 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.687 9.790 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 93 1.394 7.627 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.987 6.259 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.090 7.674 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.308 7.677 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.250 6.348 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.719 7.770 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.812 7.826 -3.714 1.00 0.00 H new ATOM 1439 N LYS A 94 2.879 12.527 -3.310 1.00 0.00 N ATOM 1440 CA LYS A 94 2.940 13.963 -3.525 1.00 0.00 C ATOM 1441 C LYS A 94 4.137 14.539 -2.765 1.00 0.00 C ATOM 1442 O LYS A 94 4.925 15.298 -3.326 1.00 0.00 O ATOM 1443 CB LYS A 94 1.607 14.617 -3.158 1.00 0.00 C ATOM 1444 CG LYS A 94 0.635 13.589 -2.574 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.637 14.268 -2.060 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.273 15.136 -3.147 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.742 15.188 -2.976 1.00 0.00 N ATOM 0 H LYS A 94 2.686 12.247 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 94 3.097 14.183 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.776 15.415 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.167 15.077 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.377 12.854 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.118 13.048 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.349 13.512 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.400 14.882 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.860 16.144 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.030 14.734 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.158 15.781 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.133 14.227 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.969 15.593 -2.045 1.00 0.00 H new ATOM 1461 N THR A 95 4.236 14.153 -1.502 1.00 0.00 N ATOM 1462 CA THR A 95 5.323 14.621 -0.659 1.00 0.00 C ATOM 1463 C THR A 95 6.585 13.793 -0.908 1.00 0.00 C ATOM 1464 O THR A 95 7.649 14.099 -0.373 1.00 0.00 O ATOM 1465 CB THR A 95 4.846 14.581 0.795 1.00 0.00 C ATOM 1466 OG1 THR A 95 4.809 13.192 1.109 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.394 15.037 0.947 1.00 0.00 C ATOM 0 H THR A 95 3.581 13.521 -1.042 1.00 0.00 H new ATOM 0 HA THR A 95 5.594 15.649 -0.898 1.00 0.00 H new ATOM 0 HB THR A 95 5.490 15.213 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.060 12.770 0.638 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.106 14.990 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.295 16.062 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.745 14.385 0.363 1.00 0.00 H new ATOM 1475 N ARG A 96 6.425 12.759 -1.721 1.00 0.00 N ATOM 1476 CA ARG A 96 7.538 11.884 -2.048 1.00 0.00 C ATOM 1477 C ARG A 96 8.436 11.689 -0.824 1.00 0.00 C ATOM 1478 O ARG A 96 9.652 11.563 -0.957 1.00 0.00 O ATOM 1479 CB ARG A 96 8.370 12.457 -3.197 1.00 0.00 C ATOM 1480 CG ARG A 96 7.479 12.838 -4.381 1.00 0.00 C ATOM 1481 CD ARG A 96 6.650 11.642 -4.852 1.00 0.00 C ATOM 1482 NE ARG A 96 6.041 11.935 -6.168 1.00 0.00 N ATOM 1483 CZ ARG A 96 5.512 11.005 -6.975 1.00 0.00 C ATOM 1484 NH1 ARG A 96 5.513 9.717 -6.605 1.00 0.00 N ATOM 1485 NH2 ARG A 96 4.981 11.363 -8.152 1.00 0.00 N ATOM 0 H ARG A 96 5.541 12.508 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 96 7.126 10.924 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.918 13.334 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.111 11.724 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.816 13.654 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.096 13.203 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.282 10.757 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.871 11.419 -4.123 1.00 0.00 H new ATOM 0 HE ARG A 96 6.023 12.906 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.916 9.444 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.110 9.010 -7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.979 12.343 -8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.578 10.655 -8.766 1.00 0.00 H new ATOM 1499 N VAL A 97 7.802 11.670 0.339 1.00 0.00 N ATOM 1500 CA VAL A 97 8.529 11.492 1.585 1.00 0.00 C ATOM 1501 C VAL A 97 7.662 10.703 2.567 1.00 0.00 C ATOM 1502 O VAL A 97 6.586 11.156 2.955 1.00 0.00 O ATOM 1503 CB VAL A 97 8.967 12.852 2.132 1.00 0.00 C ATOM 1504 CG1 VAL A 97 7.778 13.809 2.241 1.00 0.00 C ATOM 1505 CG2 VAL A 97 9.672 12.697 3.483 1.00 0.00 C ATOM 0 H VAL A 97 6.793 11.775 0.445 1.00 0.00 H new ATOM 0 HA VAL A 97 9.439 10.915 1.419 1.00 0.00 H new ATOM 0 HB VAL A 97 9.679 13.283 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.117 14.768 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.337 13.955 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.031 13.387 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.974 13.678 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.991 12.235 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.554 12.068 3.363 1.00 0.00 H new ATOM 1515 N VAL A 98 8.163 9.534 2.943 1.00 0.00 N ATOM 1516 CA VAL A 98 7.447 8.678 3.872 1.00 0.00 C ATOM 1517 C VAL A 98 7.723 9.143 5.303 1.00 0.00 C ATOM 1518 O VAL A 98 8.671 9.888 5.546 1.00 0.00 O ATOM 1519 CB VAL A 98 7.829 7.215 3.636 1.00 0.00 C ATOM 1520 CG1 VAL A 98 6.925 6.576 2.579 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.303 7.089 3.246 1.00 0.00 C ATOM 0 H VAL A 98 9.056 9.161 2.621 1.00 0.00 H new ATOM 0 HA VAL A 98 6.372 8.751 3.707 1.00 0.00 H new ATOM 0 HB VAL A 98 7.683 6.676 4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.218 5.537 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.889 6.617 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.024 7.119 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.548 6.039 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.486 7.650 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.926 7.488 4.046 1.00 0.00 H new ATOM 1531 N PRO A 99 6.855 8.672 6.239 1.00 0.00 N ATOM 1532 CA PRO A 99 6.995 9.033 7.639 1.00 0.00 C ATOM 1533 C PRO A 99 8.158 8.276 8.286 1.00 0.00 C ATOM 1534 O PRO A 99 8.523 7.190 7.837 1.00 0.00 O ATOM 1535 CB PRO A 99 5.651 8.705 8.266 1.00 0.00 C ATOM 1536 CG PRO A 99 4.965 7.747 7.305 1.00 0.00 C ATOM 1537 CD PRO A 99 5.722 7.787 5.987 1.00 0.00 C ATOM 0 HA PRO A 99 7.238 10.086 7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.779 8.249 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.056 9.607 8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.961 6.736 7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.924 8.035 7.156 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.055 6.792 5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.094 8.167 5.181 1.00 0.00 H new ATOM 1545 N ASP A 100 8.705 8.878 9.331 1.00 0.00 N ATOM 1546 CA ASP A 100 9.818 8.275 10.045 1.00 0.00 C ATOM 1547 C ASP A 100 9.499 6.806 10.329 1.00 0.00 C ATOM 1548 O ASP A 100 10.389 5.957 10.300 1.00 0.00 O ATOM 1549 CB ASP A 100 10.058 8.974 11.383 1.00 0.00 C ATOM 1550 CG ASP A 100 11.215 9.975 11.392 1.00 0.00 C ATOM 1551 OD1 ASP A 100 11.758 10.224 10.294 1.00 0.00 O ATOM 1552 OD2 ASP A 100 11.533 10.466 12.497 1.00 0.00 O ATOM 0 H ASP A 100 8.398 9.778 9.701 1.00 0.00 H new ATOM 0 HA ASP A 100 10.709 8.371 9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.145 9.494 11.673 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.248 8.216 12.143 1.00 0.00 H new ATOM 1557 N ASN A 101 8.227 6.550 10.597 1.00 0.00 N ATOM 1558 CA ASN A 101 7.780 5.199 10.886 1.00 0.00 C ATOM 1559 C ASN A 101 8.302 4.251 9.805 1.00 0.00 C ATOM 1560 O ASN A 101 8.429 3.049 10.037 1.00 0.00 O ATOM 1561 CB ASN A 101 6.252 5.113 10.892 1.00 0.00 C ATOM 1562 CG ASN A 101 5.689 5.457 12.272 1.00 0.00 C ATOM 1563 OD1 ASN A 101 6.183 6.324 12.975 1.00 0.00 O ATOM 1564 ND2 ASN A 101 4.630 4.731 12.620 1.00 0.00 N ATOM 0 H ASN A 101 7.492 7.256 10.620 1.00 0.00 H new ATOM 0 HA ASN A 101 8.161 4.922 11.869 1.00 0.00 H new ATOM 0 HB2 ASN A 101 5.843 5.796 10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.940 4.108 10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.181 4.884 13.523 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.267 4.021 11.984 1.00 0.00 H new ATOM 1571 N TRP A 102 8.592 4.827 8.648 1.00 0.00 N ATOM 1572 CA TRP A 102 9.099 4.048 7.531 1.00 0.00 C ATOM 1573 C TRP A 102 10.619 4.223 7.482 1.00 0.00 C ATOM 1574 O TRP A 102 11.362 3.246 7.558 1.00 0.00 O ATOM 1575 CB TRP A 102 8.409 4.450 6.225 1.00 0.00 C ATOM 1576 CG TRP A 102 6.894 4.236 6.230 1.00 0.00 C ATOM 1577 CD1 TRP A 102 6.046 4.362 7.261 1.00 0.00 C ATOM 1578 CD2 TRP A 102 6.077 3.852 5.105 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.748 4.087 6.883 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.767 3.767 5.531 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.432 3.583 3.771 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.707 3.415 4.686 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.362 3.233 2.940 1.00 0.00 C ATOM 1584 CH2 TRP A 102 4.038 3.144 3.353 1.00 0.00 C ATOM 0 H TRP A 102 8.486 5.824 8.460 1.00 0.00 H new ATOM 0 HA TRP A 102 8.875 2.990 7.666 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.616 5.501 6.025 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.844 3.878 5.405 1.00 0.00 H new ATOM 0 HD1 TRP A 102 6.342 4.643 8.261 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.925 4.114 7.485 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.450 3.642 3.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.690 3.356 5.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.580 3.017 1.905 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.268 2.867 2.649 1.00 0.00 H new