USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 THR OG1 : rot 180:sc= 0.00025 USER MOD Set 1.2: A 96 THR OG1 : rot 81:sc= -0.0104 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 SER OG : rot 180:sc= -2.78! USER MOD Set 3.1: A 35 TYR OH : rot -143:sc= -13.8! USER MOD Set 3.2: A 39 THR OG1 : rot 77:sc= -0.744 USER MOD Set 3.3: A 60 THR OG1 : rot 85:sc= 1.2 USER MOD Set 3.4: A 69 THR OG1 : rot 93:sc= -4.81! USER MOD Single : A 8 THR OG1 : rot 34:sc= 0.743 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 51:sc= 0.348 USER MOD Single : A 25 THR OG1 : rot -44:sc= 0.836 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -149:sc= -2.77! USER MOD Single : A 41 ASN : amide:sc= -4.27! C(o=-4.3!,f=-9.1!) USER MOD Single : A 43 THR OG1 : rot -49:sc= -0.313! USER MOD Single : A 56 SER OG : rot 168:sc= -3.87! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 61:sc= -0.708! USER MOD Single : A 62 GLN : amide:sc= -0.0762 K(o=-0.076,f=-0.6) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -117:sc= -1.3! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -0.294 K(o=-0.29,f=-1) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 86 TYR OH : rot 92:sc= -1.98! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 89 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.8!) USER MOD Single : A 92 TYR OH : rot 59:sc= -3.96! USER MOD Single : A 93 GLN : amide:sc=-0.00784 X(o=-0.0078,f=-0.025) USER MOD Single : A 95 HIS : no HD1:sc= 0.0511 K(o=0.051,f=-0.6) USER MOD Single : A 100 SER OG : rot -88:sc= -1.01! USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 1.094 9.236 -5.523 1.00 0.00 N ATOM 113 CA THR A 8 0.489 8.072 -6.147 1.00 0.00 C ATOM 114 C THR A 8 1.059 6.786 -5.540 1.00 0.00 C ATOM 115 O THR A 8 2.210 6.757 -5.109 1.00 0.00 O ATOM 116 CB THR A 8 0.705 8.178 -7.657 1.00 0.00 C ATOM 117 OG1 THR A 8 1.182 9.508 -7.846 1.00 0.00 O ATOM 118 CG2 THR A 8 -0.607 8.140 -8.441 1.00 0.00 C ATOM 0 HA THR A 8 -0.584 8.036 -5.960 1.00 0.00 H new ATOM 0 HB THR A 8 1.350 7.364 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.725 9.774 -7.075 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.396 8.219 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.123 7.201 -8.242 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.239 8.973 -8.134 1.00 0.00 H new ATOM 126 N VAL A 9 0.226 5.755 -5.532 1.00 0.00 N ATOM 127 CA VAL A 9 0.631 4.472 -4.986 1.00 0.00 C ATOM 128 C VAL A 9 0.252 3.363 -5.972 1.00 0.00 C ATOM 129 O VAL A 9 -0.741 3.477 -6.688 1.00 0.00 O ATOM 130 CB VAL A 9 0.017 4.273 -3.600 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.483 3.991 -3.699 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.736 3.161 -2.835 1.00 0.00 C ATOM 0 H VAL A 9 -0.727 5.783 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 9 1.712 4.438 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 9 0.146 5.200 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.894 3.854 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.980 4.832 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.645 3.087 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.279 3.041 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.655 2.226 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.788 3.422 -2.716 1.00 0.00 H new ATOM 142 N LYS A 10 1.065 2.316 -5.974 1.00 0.00 N ATOM 143 CA LYS A 10 0.828 1.188 -6.859 1.00 0.00 C ATOM 144 C LYS A 10 1.023 -0.115 -6.081 1.00 0.00 C ATOM 145 O LYS A 10 1.628 -0.117 -5.009 1.00 0.00 O ATOM 146 CB LYS A 10 1.704 1.294 -8.110 1.00 0.00 C ATOM 147 CG LYS A 10 0.922 1.911 -9.272 1.00 0.00 C ATOM 148 CD LYS A 10 1.795 2.893 -10.058 1.00 0.00 C ATOM 149 CE LYS A 10 2.385 2.228 -11.304 1.00 0.00 C ATOM 150 NZ LYS A 10 3.657 2.880 -11.687 1.00 0.00 N ATOM 0 H LYS A 10 1.887 2.225 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.201 1.195 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.582 1.902 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.063 0.304 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.567 1.123 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.041 2.427 -8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.201 3.759 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.600 3.259 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.556 1.169 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.674 2.292 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.043 2.416 -12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.484 3.885 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.338 2.797 -10.906 1.00 0.00 H new ATOM 164 N ILE A 11 0.503 -1.191 -6.650 1.00 0.00 N ATOM 165 CA ILE A 11 0.613 -2.497 -6.023 1.00 0.00 C ATOM 166 C ILE A 11 1.052 -3.526 -7.069 1.00 0.00 C ATOM 167 O ILE A 11 0.328 -3.786 -8.030 1.00 0.00 O ATOM 168 CB ILE A 11 -0.692 -2.863 -5.313 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.433 -3.827 -4.153 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.719 -3.419 -6.302 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.878 -4.589 -4.355 1.00 0.00 C ATOM 0 H ILE A 11 0.004 -1.186 -7.539 1.00 0.00 H new ATOM 0 HA ILE A 11 1.379 -2.482 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.116 -1.953 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.394 -3.272 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.259 -4.533 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.637 -3.671 -5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.935 -2.669 -7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.318 -4.314 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.038 -5.267 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.827 -5.162 -5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.705 -3.881 -4.412 1.00 0.00 H new ATOM 183 N LEU A 12 2.235 -4.079 -6.848 1.00 0.00 N ATOM 184 CA LEU A 12 2.779 -5.072 -7.759 1.00 0.00 C ATOM 185 C LEU A 12 2.890 -6.415 -7.036 1.00 0.00 C ATOM 186 O LEU A 12 3.392 -6.481 -5.914 1.00 0.00 O ATOM 187 CB LEU A 12 4.097 -4.584 -8.356 1.00 0.00 C ATOM 188 CG LEU A 12 4.039 -3.268 -9.134 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.399 -2.932 -9.748 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.927 -3.303 -10.185 1.00 0.00 C ATOM 0 H LEU A 12 2.832 -3.858 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 12 2.109 -5.221 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.819 -4.472 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.480 -5.358 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 12 3.797 -2.468 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.329 -1.992 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.142 -2.837 -8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.697 -3.728 -10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.906 -2.356 -10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.115 -4.116 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.967 -3.462 -9.694 1.00 0.00 H new ATOM 202 N GLN A 13 2.412 -7.455 -7.703 1.00 0.00 N ATOM 203 CA GLN A 13 2.450 -8.793 -7.138 1.00 0.00 C ATOM 204 C GLN A 13 3.512 -9.637 -7.848 1.00 0.00 C ATOM 205 O GLN A 13 3.777 -9.440 -9.032 1.00 0.00 O ATOM 206 CB GLN A 13 1.076 -9.460 -7.215 1.00 0.00 C ATOM 207 CG GLN A 13 0.030 -8.499 -7.781 1.00 0.00 C ATOM 208 CD GLN A 13 -1.383 -9.062 -7.609 1.00 0.00 C ATOM 209 OE1 GLN A 13 -1.581 -10.208 -7.243 1.00 0.00 O ATOM 210 NE2 GLN A 13 -2.350 -8.194 -7.895 1.00 0.00 N ATOM 0 H GLN A 13 1.995 -7.398 -8.632 1.00 0.00 H new ATOM 0 HA GLN A 13 2.719 -8.715 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.135 -10.350 -7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.772 -9.790 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.105 -7.536 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.228 -8.322 -8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.114 -7.249 -8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.327 -8.474 -7.813 1.00 0.00 H new ATOM 219 N SER A 14 4.088 -10.560 -7.093 1.00 0.00 N ATOM 220 CA SER A 14 5.114 -11.436 -7.635 1.00 0.00 C ATOM 221 C SER A 14 4.817 -12.886 -7.249 1.00 0.00 C ATOM 222 O SER A 14 5.534 -13.476 -6.442 1.00 0.00 O ATOM 223 CB SER A 14 6.503 -11.027 -7.139 1.00 0.00 C ATOM 224 OG SER A 14 7.529 -11.421 -8.048 1.00 0.00 O ATOM 0 H SER A 14 3.865 -10.721 -6.111 1.00 0.00 H new ATOM 0 HA SER A 14 5.105 -11.346 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.536 -9.946 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.688 -11.479 -6.164 1.00 0.00 H new ATOM 0 HG SER A 14 8.401 -11.142 -7.698 1.00 0.00 H new ATOM 230 N SER A 15 3.763 -13.420 -7.847 1.00 0.00 N ATOM 231 CA SER A 15 3.365 -14.792 -7.577 1.00 0.00 C ATOM 232 C SER A 15 3.577 -15.653 -8.824 1.00 0.00 C ATOM 233 O SER A 15 2.644 -15.874 -9.597 1.00 0.00 O ATOM 234 CB SER A 15 1.905 -14.862 -7.126 1.00 0.00 C ATOM 235 OG SER A 15 1.030 -14.207 -8.039 1.00 0.00 O ATOM 0 H SER A 15 3.172 -12.928 -8.517 1.00 0.00 H new ATOM 0 HA SER A 15 3.986 -15.176 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.607 -15.906 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.808 -14.406 -6.141 1.00 0.00 H new ATOM 0 HG SER A 15 1.203 -14.531 -8.947 1.00 0.00 H new ATOM 351 N THR A 25 6.487 -19.072 -2.439 1.00 0.00 N ATOM 352 CA THR A 25 6.089 -17.864 -1.736 1.00 0.00 C ATOM 353 C THR A 25 5.545 -16.828 -2.724 1.00 0.00 C ATOM 354 O THR A 25 5.492 -17.079 -3.927 1.00 0.00 O ATOM 355 CB THR A 25 7.292 -17.365 -0.933 1.00 0.00 C ATOM 356 OG1 THR A 25 8.405 -17.608 -1.789 1.00 0.00 O ATOM 357 CG2 THR A 25 7.573 -18.231 0.297 1.00 0.00 C ATOM 0 HA THR A 25 5.275 -18.062 -1.039 1.00 0.00 H new ATOM 0 HB THR A 25 7.119 -16.335 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.319 -18.497 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.436 -17.834 0.832 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.703 -18.223 0.954 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.780 -19.254 -0.018 1.00 0.00 H new ATOM 365 N ILE A 26 5.155 -15.685 -2.177 1.00 0.00 N ATOM 366 CA ILE A 26 4.617 -14.611 -2.992 1.00 0.00 C ATOM 367 C ILE A 26 5.236 -13.282 -2.551 1.00 0.00 C ATOM 368 O ILE A 26 5.318 -13.000 -1.357 1.00 0.00 O ATOM 369 CB ILE A 26 3.087 -14.621 -2.953 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.518 -13.296 -3.464 1.00 0.00 C ATOM 371 CG2 ILE A 26 2.578 -14.963 -1.552 1.00 0.00 C ATOM 372 CD1 ILE A 26 2.236 -12.338 -2.305 1.00 0.00 C ATOM 0 H ILE A 26 5.201 -15.481 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 26 4.886 -14.756 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 26 2.732 -15.403 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.223 -12.837 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.599 -13.481 -4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.488 -14.964 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.942 -15.949 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.941 -14.220 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.832 -11.404 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.513 -12.791 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.162 -12.136 -1.766 1.00 0.00 H new ATOM 384 N GLN A 27 5.656 -12.505 -3.538 1.00 0.00 N ATOM 385 CA GLN A 27 6.263 -11.213 -3.265 1.00 0.00 C ATOM 386 C GLN A 27 5.371 -10.084 -3.790 1.00 0.00 C ATOM 387 O GLN A 27 5.206 -9.932 -5.001 1.00 0.00 O ATOM 388 CB GLN A 27 7.665 -11.129 -3.869 1.00 0.00 C ATOM 389 CG GLN A 27 8.716 -10.887 -2.784 1.00 0.00 C ATOM 390 CD GLN A 27 10.127 -11.128 -3.322 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.742 -10.270 -3.931 1.00 0.00 O ATOM 392 NE2 GLN A 27 10.604 -12.343 -3.064 1.00 0.00 N ATOM 0 H GLN A 27 5.588 -12.745 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 27 6.360 -11.100 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.892 -12.053 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.701 -10.323 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.634 -9.865 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.528 -11.548 -1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.036 -13.015 -2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.538 -12.602 -3.382 1.00 0.00 H new ATOM 401 N LEU A 28 4.820 -9.325 -2.856 1.00 0.00 N ATOM 402 CA LEU A 28 3.952 -8.216 -3.209 1.00 0.00 C ATOM 403 C LEU A 28 4.652 -6.898 -2.876 1.00 0.00 C ATOM 404 O LEU A 28 4.764 -6.528 -1.709 1.00 0.00 O ATOM 405 CB LEU A 28 2.585 -8.371 -2.540 1.00 0.00 C ATOM 406 CG LEU A 28 1.504 -9.065 -3.372 1.00 0.00 C ATOM 407 CD1 LEU A 28 0.529 -9.832 -2.476 1.00 0.00 C ATOM 408 CD2 LEU A 28 0.785 -8.066 -4.279 1.00 0.00 C ATOM 0 H LEU A 28 4.958 -9.456 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 28 3.758 -8.212 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.717 -8.931 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.223 -7.380 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 28 1.988 -9.796 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.229 -10.315 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.073 -10.588 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.047 -9.139 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.022 -8.585 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.315 -7.294 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.505 -7.606 -4.956 1.00 0.00 H new ATOM 420 N LEU A 29 5.104 -6.224 -3.925 1.00 0.00 N ATOM 421 CA LEU A 29 5.793 -4.954 -3.758 1.00 0.00 C ATOM 422 C LEU A 29 4.922 -3.830 -4.327 1.00 0.00 C ATOM 423 O LEU A 29 4.515 -3.884 -5.486 1.00 0.00 O ATOM 424 CB LEU A 29 7.193 -5.019 -4.371 1.00 0.00 C ATOM 425 CG LEU A 29 7.595 -6.362 -4.985 1.00 0.00 C ATOM 426 CD1 LEU A 29 7.367 -7.507 -3.998 1.00 0.00 C ATOM 427 CD2 LEU A 29 6.871 -6.597 -6.312 1.00 0.00 C ATOM 0 H LEU A 29 5.007 -6.533 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 29 5.945 -4.737 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.266 -4.253 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.918 -4.763 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 29 8.663 -6.332 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.661 -8.450 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.965 -7.340 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.312 -7.549 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.175 -7.558 -6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.794 -6.598 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.128 -5.802 -7.012 1.00 0.00 H new ATOM 439 N CYS A 30 4.669 -2.840 -3.486 1.00 0.00 N ATOM 440 CA CYS A 30 3.856 -1.705 -3.891 1.00 0.00 C ATOM 441 C CYS A 30 4.788 -0.603 -4.396 1.00 0.00 C ATOM 442 O CYS A 30 5.978 -0.599 -4.085 1.00 0.00 O ATOM 443 CB CYS A 30 2.958 -1.217 -2.751 1.00 0.00 C ATOM 444 SG CYS A 30 1.780 -2.465 -2.116 1.00 0.00 S ATOM 0 H CYS A 30 5.012 -2.799 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 30 3.182 -2.005 -4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.589 -0.881 -1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.396 -0.349 -3.096 1.00 0.00 H new ATOM 449 N LEU A 31 4.213 0.309 -5.165 1.00 0.00 N ATOM 450 CA LEU A 31 4.977 1.415 -5.715 1.00 0.00 C ATOM 451 C LEU A 31 4.347 2.737 -5.270 1.00 0.00 C ATOM 452 O LEU A 31 3.334 3.164 -5.822 1.00 0.00 O ATOM 453 CB LEU A 31 5.104 1.276 -7.234 1.00 0.00 C ATOM 454 CG LEU A 31 4.721 -0.086 -7.819 1.00 0.00 C ATOM 455 CD1 LEU A 31 4.254 0.049 -9.267 1.00 0.00 C ATOM 456 CD2 LEU A 31 5.873 -1.083 -7.678 1.00 0.00 C ATOM 0 H LEU A 31 3.226 0.305 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 31 5.997 1.401 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.481 2.038 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.135 1.492 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 31 3.880 -0.480 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.989 -0.934 -9.657 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.383 0.703 -9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.057 0.474 -9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.577 -2.043 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.747 -0.707 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.117 -1.211 -6.623 1.00 0.00 H new ATOM 468 N VAL A 32 4.973 3.348 -4.275 1.00 0.00 N ATOM 469 CA VAL A 32 4.488 4.611 -3.748 1.00 0.00 C ATOM 470 C VAL A 32 5.661 5.582 -3.602 1.00 0.00 C ATOM 471 O VAL A 32 6.649 5.272 -2.938 1.00 0.00 O ATOM 472 CB VAL A 32 3.739 4.378 -2.435 1.00 0.00 C ATOM 473 CG1 VAL A 32 4.710 4.078 -1.293 1.00 0.00 C ATOM 474 CG2 VAL A 32 2.844 5.571 -2.094 1.00 0.00 C ATOM 0 H VAL A 32 5.813 2.991 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 32 3.775 5.063 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 32 3.099 3.506 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.150 3.917 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.285 3.183 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.389 4.921 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.323 5.379 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.456 6.467 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.114 5.718 -2.890 1.00 0.00 H new ATOM 484 N SER A 33 5.512 6.738 -4.231 1.00 0.00 N ATOM 485 CA SER A 33 6.549 7.758 -4.179 1.00 0.00 C ATOM 486 C SER A 33 5.928 9.143 -4.366 1.00 0.00 C ATOM 487 O SER A 33 4.714 9.267 -4.528 1.00 0.00 O ATOM 488 CB SER A 33 7.621 7.509 -5.242 1.00 0.00 C ATOM 489 OG SER A 33 7.056 7.332 -6.539 1.00 0.00 O ATOM 0 H SER A 33 4.690 6.992 -4.779 1.00 0.00 H new ATOM 0 HA SER A 33 7.028 7.710 -3.201 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.315 8.349 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.198 6.624 -4.974 1.00 0.00 H new ATOM 0 HG SER A 33 7.772 7.177 -7.190 1.00 0.00 H new ATOM 495 N GLY A 34 6.788 10.151 -4.338 1.00 0.00 N ATOM 496 CA GLY A 34 6.340 11.522 -4.501 1.00 0.00 C ATOM 497 C GLY A 34 5.998 12.155 -3.150 1.00 0.00 C ATOM 498 O GLY A 34 6.307 13.320 -2.908 1.00 0.00 O ATOM 0 H GLY A 34 7.794 10.044 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.118 12.106 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.464 11.547 -5.150 1.00 0.00 H new ATOM 502 N TYR A 35 5.364 11.353 -2.303 1.00 0.00 N ATOM 503 CA TYR A 35 4.975 11.819 -0.983 1.00 0.00 C ATOM 504 C TYR A 35 6.206 12.112 -0.122 1.00 0.00 C ATOM 505 O TYR A 35 7.227 11.435 -0.241 1.00 0.00 O ATOM 506 CB TYR A 35 4.184 10.675 -0.349 1.00 0.00 C ATOM 507 CG TYR A 35 4.861 9.307 -0.469 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.998 9.033 0.264 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.335 8.348 -1.311 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.635 7.748 0.149 1.00 0.00 C ATOM 511 CE2 TYR A 35 4.973 7.062 -1.424 1.00 0.00 C ATOM 512 CZ TYR A 35 6.091 6.826 -0.688 1.00 0.00 C ATOM 513 OH TYR A 35 6.694 5.610 -0.795 1.00 0.00 O ATOM 0 H TYR A 35 5.111 10.386 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 35 4.394 12.738 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.024 10.898 0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.201 10.624 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.409 9.783 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.445 8.562 -1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.526 7.521 0.716 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.572 6.302 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 35 6.633 5.295 -1.721 1.00 0.00 H new ATOM 523 N THR A 36 6.068 13.120 0.726 1.00 0.00 N ATOM 524 CA THR A 36 7.157 13.510 1.608 1.00 0.00 C ATOM 525 C THR A 36 8.481 13.523 0.844 1.00 0.00 C ATOM 526 O THR A 36 8.614 12.872 -0.189 1.00 0.00 O ATOM 527 CB THR A 36 7.154 12.562 2.807 1.00 0.00 C ATOM 528 OG1 THR A 36 6.452 11.414 2.344 1.00 0.00 O ATOM 529 CG2 THR A 36 6.297 13.081 3.964 1.00 0.00 C ATOM 0 H THR A 36 5.220 13.679 0.822 1.00 0.00 H new ATOM 0 HA THR A 36 7.024 14.526 1.979 1.00 0.00 H new ATOM 0 HB THR A 36 8.177 12.413 3.151 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.980 10.995 3.094 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.330 12.369 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.683 14.044 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.267 13.200 3.629 1.00 0.00 H new ATOM 537 N PRO A 37 9.458 14.292 1.401 1.00 0.00 N ATOM 538 CA PRO A 37 10.769 14.399 0.783 1.00 0.00 C ATOM 539 C PRO A 37 11.589 13.128 1.017 1.00 0.00 C ATOM 540 O PRO A 37 12.628 12.933 0.388 1.00 0.00 O ATOM 541 CB PRO A 37 11.397 15.634 1.406 1.00 0.00 C ATOM 542 CG PRO A 37 10.611 15.906 2.679 1.00 0.00 C ATOM 543 CD PRO A 37 9.337 15.078 2.626 1.00 0.00 C ATOM 0 HA PRO A 37 10.717 14.499 -0.301 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.451 15.467 1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.345 16.484 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.202 15.642 3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.374 16.967 2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.245 14.435 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.452 15.714 2.603 1.00 0.00 H new ATOM 551 N GLY A 38 11.090 12.298 1.921 1.00 0.00 N ATOM 552 CA GLY A 38 11.764 11.053 2.244 1.00 0.00 C ATOM 553 C GLY A 38 10.847 9.852 1.998 1.00 0.00 C ATOM 554 O GLY A 38 11.265 8.859 1.407 1.00 0.00 O ATOM 0 H GLY A 38 10.227 12.464 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.666 10.956 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.080 11.066 3.287 1.00 0.00 H new ATOM 558 N THR A 39 9.614 9.985 2.463 1.00 0.00 N ATOM 559 CA THR A 39 8.635 8.925 2.301 1.00 0.00 C ATOM 560 C THR A 39 7.563 9.017 3.389 1.00 0.00 C ATOM 561 O THR A 39 7.707 9.780 4.343 1.00 0.00 O ATOM 562 CB THR A 39 9.379 7.589 2.295 1.00 0.00 C ATOM 563 OG1 THR A 39 9.606 7.323 0.915 1.00 0.00 O ATOM 564 CG2 THR A 39 8.501 6.426 2.759 1.00 0.00 C ATOM 0 H THR A 39 9.271 10.811 2.952 1.00 0.00 H new ATOM 0 HA THR A 39 8.103 9.022 1.355 1.00 0.00 H new ATOM 0 HB THR A 39 10.256 7.661 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.348 7.876 0.593 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.079 5.502 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.157 6.613 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.640 6.333 2.096 1.00 0.00 H new ATOM 572 N ILE A 40 6.513 8.230 3.210 1.00 0.00 N ATOM 573 CA ILE A 40 5.417 8.213 4.163 1.00 0.00 C ATOM 574 C ILE A 40 5.589 7.023 5.110 1.00 0.00 C ATOM 575 O ILE A 40 6.712 6.626 5.417 1.00 0.00 O ATOM 576 CB ILE A 40 4.070 8.231 3.434 1.00 0.00 C ATOM 577 CG1 ILE A 40 3.761 6.863 2.824 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.028 9.347 2.390 1.00 0.00 C ATOM 579 CD1 ILE A 40 4.453 6.695 1.470 1.00 0.00 C ATOM 0 H ILE A 40 6.398 7.598 2.417 1.00 0.00 H new ATOM 0 HA ILE A 40 5.432 9.114 4.776 1.00 0.00 H new ATOM 0 HB ILE A 40 3.288 8.443 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.088 6.076 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.684 6.751 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.061 9.338 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.173 10.310 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.820 9.190 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.216 5.714 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.105 7.468 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.532 6.783 1.599 1.00 0.00 H new ATOM 591 N ASN A 41 4.457 6.489 5.545 1.00 0.00 N ATOM 592 CA ASN A 41 4.470 5.352 6.452 1.00 0.00 C ATOM 593 C ASN A 41 4.265 4.065 5.650 1.00 0.00 C ATOM 594 O ASN A 41 3.373 3.988 4.808 1.00 0.00 O ATOM 595 CB ASN A 41 3.339 5.453 7.478 1.00 0.00 C ATOM 596 CG ASN A 41 3.005 6.916 7.782 1.00 0.00 C ATOM 597 OD1 ASN A 41 2.773 7.722 6.896 1.00 0.00 O ATOM 598 ND2 ASN A 41 2.993 7.209 9.077 1.00 0.00 N ATOM 0 H ASN A 41 3.527 6.821 5.288 1.00 0.00 H new ATOM 0 HA ASN A 41 5.429 5.345 6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.452 4.945 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.630 4.944 8.397 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.780 8.158 9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.197 6.485 9.766 1.00 0.00 H new ATOM 605 N ILE A 42 5.107 3.084 5.941 1.00 0.00 N ATOM 606 CA ILE A 42 5.030 1.803 5.259 1.00 0.00 C ATOM 607 C ILE A 42 4.429 0.760 6.204 1.00 0.00 C ATOM 608 O ILE A 42 4.970 0.509 7.280 1.00 0.00 O ATOM 609 CB ILE A 42 6.399 1.412 4.700 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.032 2.572 3.930 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.301 0.142 3.850 1.00 0.00 C ATOM 612 CD1 ILE A 42 8.556 2.544 4.048 1.00 0.00 C ATOM 0 H ILE A 42 5.846 3.151 6.640 1.00 0.00 H new ATOM 0 HA ILE A 42 4.366 1.870 4.397 1.00 0.00 H new ATOM 0 HB ILE A 42 7.059 1.188 5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.744 2.516 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.652 3.518 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.288 -0.115 3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.926 -0.678 4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.619 0.313 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.979 3.380 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.841 2.625 5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.935 1.607 3.640 1.00 0.00 H new ATOM 624 N THR A 43 3.319 0.183 5.768 1.00 0.00 N ATOM 625 CA THR A 43 2.639 -0.827 6.562 1.00 0.00 C ATOM 626 C THR A 43 1.778 -1.720 5.666 1.00 0.00 C ATOM 627 O THR A 43 1.469 -1.353 4.534 1.00 0.00 O ATOM 628 CB THR A 43 1.841 -0.110 7.652 1.00 0.00 C ATOM 629 OG1 THR A 43 2.729 0.899 8.126 1.00 0.00 O ATOM 630 CG2 THR A 43 1.598 -0.997 8.877 1.00 0.00 C ATOM 0 H THR A 43 2.873 0.395 4.875 1.00 0.00 H new ATOM 0 HA THR A 43 3.351 -1.496 7.046 1.00 0.00 H new ATOM 0 HB THR A 43 0.885 0.220 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.604 0.501 8.318 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.028 -0.441 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.039 -1.884 8.579 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.555 -1.298 9.304 1.00 0.00 H new ATOM 638 N TRP A 44 1.417 -2.872 6.208 1.00 0.00 N ATOM 639 CA TRP A 44 0.597 -3.820 5.472 1.00 0.00 C ATOM 640 C TRP A 44 -0.393 -4.450 6.454 1.00 0.00 C ATOM 641 O TRP A 44 -0.004 -4.913 7.524 1.00 0.00 O ATOM 642 CB TRP A 44 1.467 -4.854 4.753 1.00 0.00 C ATOM 643 CG TRP A 44 2.537 -4.244 3.846 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.510 -3.387 4.180 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.703 -4.484 2.432 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.290 -3.057 3.089 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.783 -3.745 1.992 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.965 -5.297 1.556 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.223 -3.745 0.663 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.416 -5.286 0.230 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.501 -4.549 -0.229 1.00 0.00 C ATOM 0 H TRP A 44 1.677 -3.172 7.148 1.00 0.00 H new ATOM 0 HA TRP A 44 0.035 -3.316 4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.953 -5.485 5.497 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.825 -5.502 4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.665 -3.002 5.177 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.091 -2.425 3.088 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.118 -5.884 1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.071 -3.158 0.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.883 -5.893 -0.486 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.787 -4.596 -1.269 1.00 0.00 H new ATOM 662 N LEU A 45 -1.658 -4.447 6.051 1.00 0.00 N ATOM 663 CA LEU A 45 -2.707 -5.011 6.882 1.00 0.00 C ATOM 664 C LEU A 45 -2.909 -6.483 6.511 1.00 0.00 C ATOM 665 O LEU A 45 -3.376 -6.791 5.415 1.00 0.00 O ATOM 666 CB LEU A 45 -3.982 -4.171 6.780 1.00 0.00 C ATOM 667 CG LEU A 45 -4.606 -3.737 8.108 1.00 0.00 C ATOM 668 CD1 LEU A 45 -5.658 -2.648 7.888 1.00 0.00 C ATOM 669 CD2 LEU A 45 -5.172 -4.937 8.868 1.00 0.00 C ATOM 0 H LEU A 45 -1.977 -4.063 5.162 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.418 -4.982 7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.759 -3.278 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.725 -4.740 6.221 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.821 -3.306 8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.086 -2.357 8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.192 -1.781 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.446 -3.030 7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.609 -4.599 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.939 -5.421 8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.371 -5.647 9.075 1.00 0.00 H new ATOM 681 N GLU A 46 -2.549 -7.352 7.444 1.00 0.00 N ATOM 682 CA GLU A 46 -2.685 -8.780 7.227 1.00 0.00 C ATOM 683 C GLU A 46 -3.968 -9.298 7.882 1.00 0.00 C ATOM 684 O GLU A 46 -4.349 -8.835 8.957 1.00 0.00 O ATOM 685 CB GLU A 46 -1.460 -9.535 7.752 1.00 0.00 C ATOM 686 CG GLU A 46 -1.659 -11.048 7.646 1.00 0.00 C ATOM 687 CD GLU A 46 -0.463 -11.711 6.960 1.00 0.00 C ATOM 688 OE1 GLU A 46 -0.190 -12.896 7.201 1.00 0.00 O ATOM 689 OE2 GLU A 46 0.193 -10.950 6.153 1.00 0.00 O ATOM 0 H GLU A 46 -2.163 -7.093 8.352 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.750 -8.958 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.577 -9.241 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.278 -9.261 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.793 -11.472 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.569 -11.260 7.084 1.00 0.00 H new ATOM 697 N ASP A 47 -4.598 -10.246 7.207 1.00 0.00 N ATOM 698 CA ASP A 47 -5.828 -10.830 7.710 1.00 0.00 C ATOM 699 C ASP A 47 -5.843 -12.329 7.401 1.00 0.00 C ATOM 700 O ASP A 47 -6.196 -12.737 6.296 1.00 0.00 O ATOM 701 CB ASP A 47 -7.053 -10.201 7.040 1.00 0.00 C ATOM 702 CG ASP A 47 -7.934 -9.358 7.964 1.00 0.00 C ATOM 703 OD1 ASP A 47 -9.018 -9.795 8.385 1.00 0.00 O ATOM 704 OD2 ASP A 47 -7.466 -8.193 8.254 1.00 0.00 O ATOM 0 H ASP A 47 -4.279 -10.625 6.315 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.869 -10.649 8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.715 -9.575 6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.661 -10.996 6.609 1.00 0.00 H new ATOM 796 N ASP A 54 5.991 -13.818 7.290 1.00 0.00 N ATOM 797 CA ASP A 54 5.200 -13.181 6.251 1.00 0.00 C ATOM 798 C ASP A 54 4.988 -11.708 6.608 1.00 0.00 C ATOM 799 O ASP A 54 4.027 -11.364 7.294 1.00 0.00 O ATOM 800 CB ASP A 54 3.826 -13.837 6.122 1.00 0.00 C ATOM 801 CG ASP A 54 3.847 -15.360 5.975 1.00 0.00 C ATOM 802 OD1 ASP A 54 4.374 -15.900 4.989 1.00 0.00 O ATOM 803 OD2 ASP A 54 3.287 -16.010 6.939 1.00 0.00 O ATOM 0 HA ASP A 54 5.738 -13.284 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.234 -13.580 7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.316 -13.411 5.258 1.00 0.00 H new ATOM 809 N LEU A 55 5.904 -10.878 6.131 1.00 0.00 N ATOM 810 CA LEU A 55 5.829 -9.451 6.390 1.00 0.00 C ATOM 811 C LEU A 55 6.159 -8.684 5.109 1.00 0.00 C ATOM 812 O LEU A 55 6.742 -9.243 4.181 1.00 0.00 O ATOM 813 CB LEU A 55 6.717 -9.077 7.578 1.00 0.00 C ATOM 814 CG LEU A 55 7.842 -8.080 7.288 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.697 -8.548 6.110 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.284 -6.672 7.068 1.00 0.00 C ATOM 0 H LEU A 55 6.703 -11.167 5.566 1.00 0.00 H new ATOM 0 HA LEU A 55 4.816 -9.168 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.084 -8.662 8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.161 -9.990 7.976 1.00 0.00 H new ATOM 0 HG LEU A 55 8.493 -8.035 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.489 -7.822 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.139 -9.516 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.073 -8.639 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.104 -5.983 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.598 -6.681 6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.752 -6.348 7.962 1.00 0.00 H new ATOM 828 N SER A 56 5.777 -7.416 5.100 1.00 0.00 N ATOM 829 CA SER A 56 6.027 -6.567 3.947 1.00 0.00 C ATOM 830 C SER A 56 6.709 -5.272 4.390 1.00 0.00 C ATOM 831 O SER A 56 6.279 -4.637 5.353 1.00 0.00 O ATOM 832 CB SER A 56 4.729 -6.255 3.201 1.00 0.00 C ATOM 833 OG SER A 56 3.578 -6.644 3.946 1.00 0.00 O ATOM 0 H SER A 56 5.296 -6.955 5.873 1.00 0.00 H new ATOM 0 HA SER A 56 6.687 -7.103 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.680 -5.187 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.730 -6.770 2.240 1.00 0.00 H new ATOM 0 HG SER A 56 2.777 -6.255 3.537 1.00 0.00 H new ATOM 839 N THR A 57 7.761 -4.917 3.666 1.00 0.00 N ATOM 840 CA THR A 57 8.506 -3.708 3.972 1.00 0.00 C ATOM 841 C THR A 57 8.762 -2.900 2.698 1.00 0.00 C ATOM 842 O THR A 57 8.753 -3.451 1.598 1.00 0.00 O ATOM 843 CB THR A 57 9.789 -4.114 4.699 1.00 0.00 C ATOM 844 OG1 THR A 57 9.596 -5.495 4.996 1.00 0.00 O ATOM 845 CG2 THR A 57 9.918 -3.452 6.073 1.00 0.00 C ATOM 0 H THR A 57 8.115 -5.446 2.869 1.00 0.00 H new ATOM 0 HA THR A 57 7.936 -3.050 4.628 1.00 0.00 H new ATOM 0 HB THR A 57 10.652 -3.851 4.087 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.382 -5.841 5.467 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.846 -3.774 6.546 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.928 -2.368 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.073 -3.742 6.697 1.00 0.00 H new ATOM 853 N ALA A 58 8.981 -1.607 2.887 1.00 0.00 N ATOM 854 CA ALA A 58 9.235 -0.719 1.767 1.00 0.00 C ATOM 855 C ALA A 58 10.511 0.082 2.037 1.00 0.00 C ATOM 856 O ALA A 58 10.855 0.338 3.189 1.00 0.00 O ATOM 857 CB ALA A 58 8.019 0.181 1.540 1.00 0.00 C ATOM 0 H ALA A 58 8.988 -1.153 3.801 1.00 0.00 H new ATOM 0 HA ALA A 58 9.391 -1.291 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.211 0.847 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.146 -0.435 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.832 0.773 2.436 1.00 0.00 H new ATOM 863 N SER A 59 11.178 0.455 0.956 1.00 0.00 N ATOM 864 CA SER A 59 12.408 1.221 1.061 1.00 0.00 C ATOM 865 C SER A 59 12.149 2.681 0.683 1.00 0.00 C ATOM 866 O SER A 59 11.194 2.981 -0.032 1.00 0.00 O ATOM 867 CB SER A 59 13.504 0.628 0.172 1.00 0.00 C ATOM 868 OG SER A 59 14.796 0.767 0.755 1.00 0.00 O ATOM 0 H SER A 59 10.890 0.241 0.001 1.00 0.00 H new ATOM 0 HA SER A 59 12.752 1.176 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.297 -0.428 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.490 1.122 -0.800 1.00 0.00 H new ATOM 0 HG SER A 59 15.468 0.375 0.159 1.00 0.00 H new ATOM 874 N THR A 60 13.019 3.549 1.178 1.00 0.00 N ATOM 875 CA THR A 60 12.895 4.971 0.902 1.00 0.00 C ATOM 876 C THR A 60 13.966 5.414 -0.096 1.00 0.00 C ATOM 877 O THR A 60 15.104 4.950 -0.038 1.00 0.00 O ATOM 878 CB THR A 60 12.960 5.719 2.235 1.00 0.00 C ATOM 879 OG1 THR A 60 13.061 7.089 1.858 1.00 0.00 O ATOM 880 CG2 THR A 60 14.256 5.444 2.998 1.00 0.00 C ATOM 0 H THR A 60 13.812 3.296 1.768 1.00 0.00 H new ATOM 0 HA THR A 60 11.940 5.201 0.431 1.00 0.00 H new ATOM 0 HB THR A 60 12.109 5.434 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.165 7.449 1.691 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.251 5.999 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 60 14.335 4.377 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 60 15.107 5.759 2.395 1.00 0.00 H new ATOM 888 N THR A 61 13.566 6.306 -0.988 1.00 0.00 N ATOM 889 CA THR A 61 14.478 6.817 -1.998 1.00 0.00 C ATOM 890 C THR A 61 14.200 8.297 -2.269 1.00 0.00 C ATOM 891 O THR A 61 13.132 8.803 -1.926 1.00 0.00 O ATOM 892 CB THR A 61 14.346 5.937 -3.244 1.00 0.00 C ATOM 893 OG1 THR A 61 13.172 5.166 -3.001 1.00 0.00 O ATOM 894 CG2 THR A 61 15.460 4.894 -3.344 1.00 0.00 C ATOM 0 H THR A 61 12.622 6.689 -1.033 1.00 0.00 H new ATOM 0 HA THR A 61 15.512 6.770 -1.656 1.00 0.00 H new ATOM 0 HB THR A 61 14.355 6.565 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.402 5.764 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.319 4.297 -4.245 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.426 5.397 -3.389 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.430 4.244 -2.469 1.00 0.00 H new ATOM 902 N GLN A 62 15.179 8.949 -2.881 1.00 0.00 N ATOM 903 CA GLN A 62 15.052 10.359 -3.201 1.00 0.00 C ATOM 904 C GLN A 62 14.635 10.538 -4.662 1.00 0.00 C ATOM 905 O GLN A 62 15.251 9.966 -5.560 1.00 0.00 O ATOM 906 CB GLN A 62 16.354 11.107 -2.907 1.00 0.00 C ATOM 907 CG GLN A 62 17.522 10.506 -3.691 1.00 0.00 C ATOM 908 CD GLN A 62 18.606 9.981 -2.748 1.00 0.00 C ATOM 909 OE1 GLN A 62 18.903 10.565 -1.720 1.00 0.00 O ATOM 910 NE2 GLN A 62 19.176 8.849 -3.155 1.00 0.00 N ATOM 0 H GLN A 62 16.063 8.525 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 62 14.274 10.786 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.240 12.159 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.568 11.065 -1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.161 9.694 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.946 11.261 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.878 8.413 -4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.911 8.418 -2.594 1.00 0.00 H new ATOM 919 N GLU A 63 13.594 11.333 -4.855 1.00 0.00 N ATOM 920 CA GLU A 63 13.088 11.594 -6.191 1.00 0.00 C ATOM 921 C GLU A 63 12.980 13.100 -6.434 1.00 0.00 C ATOM 922 O GLU A 63 11.884 13.625 -6.623 1.00 0.00 O ATOM 923 CB GLU A 63 11.737 10.906 -6.411 1.00 0.00 C ATOM 924 CG GLU A 63 11.875 9.727 -7.376 1.00 0.00 C ATOM 925 CD GLU A 63 10.927 9.881 -8.567 1.00 0.00 C ATOM 926 OE1 GLU A 63 11.335 10.385 -9.624 1.00 0.00 O ATOM 927 OE2 GLU A 63 9.726 9.451 -8.367 1.00 0.00 O ATOM 0 H GLU A 63 13.086 11.806 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 63 13.793 11.179 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.343 10.556 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.019 11.624 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.903 9.661 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.659 8.796 -6.852 1.00 0.00 H new ATOM 935 N GLY A 64 14.133 13.755 -6.422 1.00 0.00 N ATOM 936 CA GLY A 64 14.183 15.188 -6.639 1.00 0.00 C ATOM 937 C GLY A 64 13.674 15.948 -5.411 1.00 0.00 C ATOM 938 O GLY A 64 14.351 16.001 -4.383 1.00 0.00 O ATOM 0 H GLY A 64 15.040 13.316 -6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.207 15.490 -6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.579 15.449 -7.508 1.00 0.00 H new ATOM 942 N GLU A 65 12.486 16.515 -5.554 1.00 0.00 N ATOM 943 CA GLU A 65 11.878 17.266 -4.470 1.00 0.00 C ATOM 944 C GLU A 65 10.835 16.409 -3.749 1.00 0.00 C ATOM 945 O GLU A 65 10.201 16.866 -2.800 1.00 0.00 O ATOM 946 CB GLU A 65 11.257 18.567 -4.984 1.00 0.00 C ATOM 947 CG GLU A 65 10.881 19.491 -3.825 1.00 0.00 C ATOM 948 CD GLU A 65 11.498 20.879 -4.007 1.00 0.00 C ATOM 949 OE1 GLU A 65 11.180 21.578 -4.981 1.00 0.00 O ATOM 950 OE2 GLU A 65 12.339 21.226 -3.090 1.00 0.00 O ATOM 0 H GLU A 65 11.927 16.469 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 65 12.658 17.531 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.961 19.074 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.370 18.342 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.796 19.577 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.222 19.058 -2.885 1.00 0.00 H new ATOM 958 N LEU A 66 10.690 15.182 -4.229 1.00 0.00 N ATOM 959 CA LEU A 66 9.734 14.258 -3.641 1.00 0.00 C ATOM 960 C LEU A 66 10.488 13.069 -3.040 1.00 0.00 C ATOM 961 O LEU A 66 11.716 13.046 -3.034 1.00 0.00 O ATOM 962 CB LEU A 66 8.674 13.858 -4.669 1.00 0.00 C ATOM 963 CG LEU A 66 7.816 14.997 -5.222 1.00 0.00 C ATOM 964 CD1 LEU A 66 8.544 15.740 -6.344 1.00 0.00 C ATOM 965 CD2 LEU A 66 6.447 14.481 -5.672 1.00 0.00 C ATOM 0 H LEU A 66 11.218 14.807 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 66 9.190 14.737 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.173 13.366 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.014 13.120 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 66 7.644 15.715 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.911 16.544 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.474 16.159 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.767 15.046 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.856 15.310 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.579 13.732 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.930 14.034 -4.823 1.00 0.00 H new ATOM 977 N ALA A 67 9.715 12.109 -2.547 1.00 0.00 N ATOM 978 CA ALA A 67 10.293 10.920 -1.945 1.00 0.00 C ATOM 979 C ALA A 67 9.610 9.678 -2.519 1.00 0.00 C ATOM 980 O ALA A 67 8.386 9.553 -2.452 1.00 0.00 O ATOM 981 CB ALA A 67 10.167 11.006 -0.422 1.00 0.00 C ATOM 0 H ALA A 67 8.695 12.132 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 67 11.355 10.848 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.601 10.114 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.696 11.889 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.115 11.077 -0.147 1.00 0.00 H new ATOM 987 N SER A 68 10.425 8.794 -3.071 1.00 0.00 N ATOM 988 CA SER A 68 9.913 7.566 -3.654 1.00 0.00 C ATOM 989 C SER A 68 10.286 6.370 -2.775 1.00 0.00 C ATOM 990 O SER A 68 11.466 6.081 -2.587 1.00 0.00 O ATOM 991 CB SER A 68 10.447 7.367 -5.074 1.00 0.00 C ATOM 992 OG SER A 68 9.957 6.166 -5.666 1.00 0.00 O ATOM 0 H SER A 68 11.438 8.903 -3.127 1.00 0.00 H new ATOM 0 HA SER A 68 8.827 7.642 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.161 8.218 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.536 7.342 -5.051 1.00 0.00 H new ATOM 0 HG SER A 68 10.319 6.076 -6.572 1.00 0.00 H new ATOM 998 N THR A 69 9.258 5.709 -2.263 1.00 0.00 N ATOM 999 CA THR A 69 9.465 4.553 -1.410 1.00 0.00 C ATOM 1000 C THR A 69 8.863 3.301 -2.051 1.00 0.00 C ATOM 1001 O THR A 69 7.682 3.281 -2.392 1.00 0.00 O ATOM 1002 CB THR A 69 8.877 4.872 -0.033 1.00 0.00 C ATOM 1003 OG1 THR A 69 10.019 5.021 0.806 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.127 3.683 0.572 1.00 0.00 C ATOM 0 H THR A 69 8.280 5.952 -2.423 1.00 0.00 H new ATOM 0 HA THR A 69 10.526 4.338 -1.286 1.00 0.00 H new ATOM 0 HB THR A 69 8.203 5.725 -0.115 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.279 5.965 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.730 3.962 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.306 3.398 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.810 2.841 0.685 1.00 0.00 H new ATOM 1012 N GLN A 70 9.703 2.287 -2.197 1.00 0.00 N ATOM 1013 CA GLN A 70 9.271 1.035 -2.793 1.00 0.00 C ATOM 1014 C GLN A 70 8.828 0.055 -1.704 1.00 0.00 C ATOM 1015 O GLN A 70 9.586 -0.237 -0.780 1.00 0.00 O ATOM 1016 CB GLN A 70 10.374 0.429 -3.660 1.00 0.00 C ATOM 1017 CG GLN A 70 9.792 -0.220 -4.917 1.00 0.00 C ATOM 1018 CD GLN A 70 10.863 -1.005 -5.676 1.00 0.00 C ATOM 1019 OE1 GLN A 70 11.351 -0.592 -6.714 1.00 0.00 O ATOM 1020 NE2 GLN A 70 11.200 -2.157 -5.101 1.00 0.00 N ATOM 0 H GLN A 70 10.682 2.307 -1.912 1.00 0.00 H new ATOM 0 HA GLN A 70 8.419 1.239 -3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.085 1.205 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.926 -0.315 -3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.975 -0.887 -4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.371 0.548 -5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.751 -2.443 -4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.907 -2.754 -5.531 1.00 0.00 H new ATOM 1029 N SER A 71 7.601 -0.427 -1.849 1.00 0.00 N ATOM 1030 CA SER A 71 7.049 -1.367 -0.891 1.00 0.00 C ATOM 1031 C SER A 71 7.215 -2.799 -1.406 1.00 0.00 C ATOM 1032 O SER A 71 7.103 -3.047 -2.605 1.00 0.00 O ATOM 1033 CB SER A 71 5.573 -1.070 -0.614 1.00 0.00 C ATOM 1034 OG SER A 71 5.299 -0.977 0.782 1.00 0.00 O ATOM 0 H SER A 71 6.975 -0.183 -2.616 1.00 0.00 H new ATOM 0 HA SER A 71 7.595 -1.259 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.294 -0.136 -1.101 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.957 -1.855 -1.053 1.00 0.00 H new ATOM 0 HG SER A 71 4.677 -1.688 1.041 1.00 0.00 H new ATOM 1040 N GLU A 72 7.478 -3.701 -0.474 1.00 0.00 N ATOM 1041 CA GLU A 72 7.661 -5.101 -0.820 1.00 0.00 C ATOM 1042 C GLU A 72 6.929 -5.995 0.186 1.00 0.00 C ATOM 1043 O GLU A 72 6.690 -5.591 1.321 1.00 0.00 O ATOM 1044 CB GLU A 72 9.146 -5.460 -0.893 1.00 0.00 C ATOM 1045 CG GLU A 72 10.001 -4.210 -1.107 1.00 0.00 C ATOM 1046 CD GLU A 72 11.346 -4.566 -1.745 1.00 0.00 C ATOM 1047 OE1 GLU A 72 11.434 -5.552 -2.493 1.00 0.00 O ATOM 1048 OE2 GLU A 72 12.321 -3.779 -1.442 1.00 0.00 O ATOM 0 H GLU A 72 7.569 -3.491 0.520 1.00 0.00 H new ATOM 0 HA GLU A 72 7.233 -5.270 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.449 -5.959 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.314 -6.164 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.467 -3.505 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.168 -3.712 -0.152 1.00 0.00 H new ATOM 1056 N LEU A 73 6.598 -7.194 -0.271 1.00 0.00 N ATOM 1057 CA LEU A 73 5.899 -8.150 0.573 1.00 0.00 C ATOM 1058 C LEU A 73 6.460 -9.550 0.322 1.00 0.00 C ATOM 1059 O LEU A 73 6.870 -9.868 -0.794 1.00 0.00 O ATOM 1060 CB LEU A 73 4.388 -8.044 0.362 1.00 0.00 C ATOM 1061 CG LEU A 73 3.532 -9.048 1.139 1.00 0.00 C ATOM 1062 CD1 LEU A 73 3.981 -9.137 2.599 1.00 0.00 C ATOM 1063 CD2 LEU A 73 2.045 -8.709 1.017 1.00 0.00 C ATOM 0 H LEU A 73 6.801 -7.526 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 73 6.067 -7.924 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.072 -7.038 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.180 -8.165 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 73 3.676 -10.034 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.357 -9.857 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.021 -9.459 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.885 -8.158 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.459 -9.437 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.865 -7.712 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.750 -8.736 -0.032 1.00 0.00 H new ATOM 1075 N THR A 74 6.458 -10.351 1.377 1.00 0.00 N ATOM 1076 CA THR A 74 6.962 -11.711 1.284 1.00 0.00 C ATOM 1077 C THR A 74 6.195 -12.629 2.241 1.00 0.00 C ATOM 1078 O THR A 74 6.187 -12.403 3.450 1.00 0.00 O ATOM 1079 CB THR A 74 8.467 -11.678 1.552 1.00 0.00 C ATOM 1080 OG1 THR A 74 8.759 -10.293 1.715 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.288 -12.090 0.329 1.00 0.00 C ATOM 0 H THR A 74 6.116 -10.085 2.300 1.00 0.00 H new ATOM 0 HA THR A 74 6.804 -12.124 0.288 1.00 0.00 H new ATOM 0 HB THR A 74 8.702 -12.339 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.716 -10.179 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.350 -12.049 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.021 -13.106 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.079 -11.409 -0.496 1.00 0.00 H new ATOM 1089 N LEU A 75 5.570 -13.643 1.661 1.00 0.00 N ATOM 1090 CA LEU A 75 4.805 -14.597 2.447 1.00 0.00 C ATOM 1091 C LEU A 75 5.002 -15.999 1.871 1.00 0.00 C ATOM 1092 O LEU A 75 5.519 -16.155 0.765 1.00 0.00 O ATOM 1093 CB LEU A 75 3.338 -14.166 2.530 1.00 0.00 C ATOM 1094 CG LEU A 75 3.048 -12.703 2.185 1.00 0.00 C ATOM 1095 CD1 LEU A 75 3.552 -12.359 0.781 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.561 -12.385 2.354 1.00 0.00 C ATOM 0 H LEU A 75 5.577 -13.825 0.657 1.00 0.00 H new ATOM 0 HA LEU A 75 5.166 -14.621 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.756 -14.799 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.980 -14.358 3.542 1.00 0.00 H new ATOM 0 HG LEU A 75 3.595 -12.072 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.333 -11.314 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.628 -12.523 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.054 -12.995 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.382 -11.340 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.975 -13.023 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.265 -12.566 3.388 1.00 0.00 H new ATOM 1108 N SER A 76 4.580 -16.988 2.648 1.00 0.00 N ATOM 1109 CA SER A 76 4.704 -18.374 2.229 1.00 0.00 C ATOM 1110 C SER A 76 3.476 -18.787 1.416 1.00 0.00 C ATOM 1111 O SER A 76 2.355 -18.395 1.736 1.00 0.00 O ATOM 1112 CB SER A 76 4.877 -19.301 3.435 1.00 0.00 C ATOM 1113 OG SER A 76 4.935 -20.670 3.049 1.00 0.00 O ATOM 0 H SER A 76 4.152 -16.856 3.565 1.00 0.00 H new ATOM 0 HA SER A 76 5.593 -18.464 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.789 -19.036 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.048 -19.154 4.128 1.00 0.00 H new ATOM 0 HG SER A 76 5.047 -21.230 3.845 1.00 0.00 H new ATOM 1119 N GLN A 77 3.729 -19.574 0.379 1.00 0.00 N ATOM 1120 CA GLN A 77 2.656 -20.043 -0.481 1.00 0.00 C ATOM 1121 C GLN A 77 1.637 -20.847 0.329 1.00 0.00 C ATOM 1122 O GLN A 77 0.441 -20.806 0.045 1.00 0.00 O ATOM 1123 CB GLN A 77 3.209 -20.872 -1.643 1.00 0.00 C ATOM 1124 CG GLN A 77 2.077 -21.506 -2.453 1.00 0.00 C ATOM 1125 CD GLN A 77 2.121 -21.047 -3.912 1.00 0.00 C ATOM 1126 OE1 GLN A 77 2.260 -19.872 -4.215 1.00 0.00 O ATOM 1127 NE2 GLN A 77 1.998 -22.033 -4.793 1.00 0.00 N ATOM 0 H GLN A 77 4.660 -19.898 0.116 1.00 0.00 H new ATOM 0 HA GLN A 77 2.150 -19.175 -0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.814 -20.238 -2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.866 -21.652 -1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.157 -22.592 -2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.116 -21.238 -2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.885 -22.994 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.017 -21.829 -5.792 1.00 0.00 H new ATOM 1136 N LYS A 78 2.147 -21.557 1.324 1.00 0.00 N ATOM 1137 CA LYS A 78 1.297 -22.369 2.177 1.00 0.00 C ATOM 1138 C LYS A 78 0.180 -21.497 2.753 1.00 0.00 C ATOM 1139 O LYS A 78 -1.000 -21.795 2.577 1.00 0.00 O ATOM 1140 CB LYS A 78 2.133 -23.081 3.243 1.00 0.00 C ATOM 1141 CG LYS A 78 1.554 -24.462 3.557 1.00 0.00 C ATOM 1142 CD LYS A 78 2.039 -25.504 2.546 1.00 0.00 C ATOM 1143 CE LYS A 78 1.872 -26.921 3.095 1.00 0.00 C ATOM 1144 NZ LYS A 78 2.145 -27.921 2.040 1.00 0.00 N ATOM 0 H LYS A 78 3.139 -21.587 1.559 1.00 0.00 H new ATOM 0 HA LYS A 78 0.819 -23.160 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.161 -23.183 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.161 -22.479 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.847 -24.763 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.465 -24.415 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.479 -25.402 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.087 -25.324 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.551 -27.075 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.859 -27.053 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.027 -28.878 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.481 -27.784 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.119 -27.805 1.696 1.00 0.00 H new ATOM 1158 N HIS A 79 0.591 -20.436 3.431 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.361 -19.517 4.034 1.00 0.00 C ATOM 1160 C HIS A 79 -1.325 -19.000 2.964 1.00 0.00 C ATOM 1161 O HIS A 79 -2.502 -18.775 3.238 1.00 0.00 O ATOM 1162 CB HIS A 79 0.364 -18.390 4.774 1.00 0.00 C ATOM 1163 CG HIS A 79 0.888 -18.787 6.133 1.00 0.00 C ATOM 1164 ND1 HIS A 79 2.192 -18.548 6.532 1.00 0.00 N ATOM 1165 CD2 HIS A 79 0.272 -19.406 7.181 1.00 0.00 C ATOM 1166 CE1 HIS A 79 2.342 -19.008 7.765 1.00 0.00 C ATOM 1167 NE2 HIS A 79 1.151 -19.539 8.166 1.00 0.00 N ATOM 0 H HIS A 79 1.570 -20.191 3.577 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.953 -20.042 4.783 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.197 -18.044 4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.318 -17.548 4.890 1.00 0.00 H new ATOM 0 HD1 HIS A 79 2.914 -18.095 5.972 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.757 -19.733 7.205 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.249 -18.969 8.351 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.787 -18.827 1.762 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.584 -18.341 0.651 1.00 0.00 C ATOM 1177 C TRP A 80 -2.701 -19.352 0.391 1.00 0.00 C ATOM 1178 O TRP A 80 -3.841 -18.971 0.134 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.710 -18.086 -0.578 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.375 -17.213 -1.644 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.204 -17.596 -2.625 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.232 -15.784 -1.799 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.605 -16.524 -3.397 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -1.995 -15.388 -2.878 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.485 -14.858 -1.051 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.083 -14.057 -3.307 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -0.582 -13.534 -1.494 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -1.346 -13.118 -2.577 1.00 0.00 C ATOM 0 H TRP A 80 0.190 -19.015 1.537 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.036 -17.379 0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.217 -17.610 -0.259 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.440 -19.043 -1.024 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.519 -18.616 -2.791 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.233 -16.559 -4.200 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.116 -15.145 -0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.687 -13.771 -4.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.023 -12.783 -0.956 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.371 -12.075 -2.854 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.333 -20.623 0.467 1.00 0.00 N ATOM 1200 CA LEU A 81 -3.291 -21.693 0.243 1.00 0.00 C ATOM 1201 C LEU A 81 -4.274 -21.747 1.414 1.00 0.00 C ATOM 1202 O LEU A 81 -5.442 -22.087 1.232 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.566 -23.016 -0.012 1.00 0.00 C ATOM 1204 CG LEU A 81 -3.458 -24.234 -0.260 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -2.787 -25.220 -1.215 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -3.861 -24.898 1.059 1.00 0.00 C ATOM 0 H LEU A 81 -1.386 -20.936 0.680 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.876 -21.497 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.912 -22.888 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.926 -23.228 0.845 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.374 -23.892 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.443 -26.076 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.594 -24.729 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.845 -25.559 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.495 -25.761 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.967 -25.223 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.409 -24.184 1.673 1.00 0.00 H new ATOM 1218 N SER A 82 -3.766 -21.400 2.587 1.00 0.00 N ATOM 1219 CA SER A 82 -4.587 -21.404 3.787 1.00 0.00 C ATOM 1220 C SER A 82 -5.485 -20.166 3.809 1.00 0.00 C ATOM 1221 O SER A 82 -6.156 -19.899 4.806 1.00 0.00 O ATOM 1222 CB SER A 82 -3.719 -21.452 5.046 1.00 0.00 C ATOM 1223 OG SER A 82 -4.270 -22.311 6.041 1.00 0.00 O ATOM 0 H SER A 82 -2.798 -21.115 2.733 1.00 0.00 H new ATOM 0 HA SER A 82 -5.211 -22.298 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.718 -21.796 4.784 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.614 -20.446 5.453 1.00 0.00 H new ATOM 0 HG SER A 82 -3.687 -22.316 6.828 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.472 -19.444 2.697 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.278 -18.240 2.579 1.00 0.00 C ATOM 1231 C ASP A 83 -5.725 -17.165 3.515 1.00 0.00 C ATOM 1232 O ASP A 83 -5.219 -17.474 4.592 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.731 -18.509 2.976 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.509 -17.282 3.454 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -8.611 -17.021 4.661 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -9.032 -16.567 2.515 1.00 0.00 O ATOM 0 H ASP A 83 -4.917 -19.669 1.871 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.242 -17.912 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.252 -18.940 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.743 -19.259 3.767 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.837 -15.922 3.068 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.354 -14.799 3.852 1.00 0.00 C ATOM 1244 C ARG A 84 -5.624 -13.484 3.117 1.00 0.00 C ATOM 1245 O ARG A 84 -6.134 -13.488 1.998 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.854 -14.922 4.126 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.563 -14.845 5.627 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.060 -14.743 5.890 1.00 0.00 C ATOM 1249 NE ARG A 84 -1.312 -15.487 4.850 1.00 0.00 N ATOM 1250 CZ ARG A 84 -0.052 -15.187 4.464 1.00 0.00 C ATOM 1251 NH1 ARG A 84 0.610 -14.155 5.030 1.00 0.00 N ATOM 1252 NH2 ARG A 84 0.519 -15.918 3.526 1.00 0.00 N ATOM 0 H ARG A 84 -6.255 -15.669 2.173 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.887 -14.805 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.484 -15.867 3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.319 -14.127 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.070 -13.980 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.964 -15.728 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.753 -13.697 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.827 -15.146 6.876 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.777 -16.274 4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.159 -13.596 5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.561 -13.935 4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.010 -16.695 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.469 -15.706 3.222 1.00 0.00 H new ATOM 1266 N THR A 85 -5.268 -12.390 3.777 1.00 0.00 N ATOM 1267 CA THR A 85 -5.465 -11.071 3.199 1.00 0.00 C ATOM 1268 C THR A 85 -4.218 -10.208 3.407 1.00 0.00 C ATOM 1269 O THR A 85 -3.913 -9.813 4.530 1.00 0.00 O ATOM 1270 CB THR A 85 -6.729 -10.471 3.815 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.733 -10.693 2.830 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.655 -8.946 3.935 1.00 0.00 C ATOM 0 H THR A 85 -4.845 -12.391 4.705 1.00 0.00 H new ATOM 0 HA THR A 85 -5.607 -11.127 2.120 1.00 0.00 H new ATOM 0 HB THR A 85 -6.894 -10.905 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.588 -10.336 3.148 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.577 -8.571 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.811 -8.671 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.524 -8.509 2.945 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.532 -9.940 2.304 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.327 -9.130 2.351 1.00 0.00 C ATOM 1282 C TYR A 86 -2.539 -7.793 1.638 1.00 0.00 C ATOM 1283 O TYR A 86 -2.870 -7.762 0.454 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.254 -9.928 1.606 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.748 -11.266 1.050 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.536 -11.295 -0.082 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.407 -12.443 1.682 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -2.999 -12.554 -0.606 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.870 -13.703 1.160 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.644 -13.696 0.041 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.081 -14.884 -0.452 1.00 0.00 O ATOM 0 H TYR A 86 -3.788 -10.270 1.373 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.047 -8.915 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.871 -9.323 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.419 -10.113 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.806 -10.373 -0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.792 -12.420 2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.614 -12.590 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.609 -14.632 1.645 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.414 -15.246 -1.072 1.00 0.00 H new ATOM 1301 N THR A 87 -2.335 -6.720 2.390 1.00 0.00 N ATOM 1302 CA THR A 87 -2.499 -5.384 1.845 1.00 0.00 C ATOM 1303 C THR A 87 -1.388 -4.462 2.352 1.00 0.00 C ATOM 1304 O THR A 87 -1.022 -4.510 3.525 1.00 0.00 O ATOM 1305 CB THR A 87 -3.903 -4.894 2.204 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.740 -6.015 1.934 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.410 -3.813 1.248 1.00 0.00 C ATOM 0 H THR A 87 -2.058 -6.750 3.371 1.00 0.00 H new ATOM 0 HA THR A 87 -2.408 -5.387 0.759 1.00 0.00 H new ATOM 0 HB THR A 87 -3.902 -4.505 3.222 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.670 -5.786 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.410 -3.501 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.738 -2.955 1.279 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.444 -4.211 0.234 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.880 -3.645 1.441 1.00 0.00 N ATOM 1316 CA CYS A 88 0.184 -2.714 1.780 1.00 0.00 C ATOM 1317 C CYS A 88 -0.436 -1.330 1.987 1.00 0.00 C ATOM 1318 O CYS A 88 -0.752 -0.636 1.021 1.00 0.00 O ATOM 1319 CB CYS A 88 1.279 -2.693 0.711 1.00 0.00 C ATOM 1320 SG CYS A 88 0.888 -1.696 -0.770 1.00 0.00 S ATOM 0 H CYS A 88 -1.185 -3.608 0.468 1.00 0.00 H new ATOM 0 HA CYS A 88 0.671 -3.035 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.196 -2.309 1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.481 -3.717 0.399 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.596 -0.972 3.252 1.00 0.00 N ATOM 1326 CA GLN A 89 -1.173 0.315 3.599 1.00 0.00 C ATOM 1327 C GLN A 89 -0.068 1.349 3.826 1.00 0.00 C ATOM 1328 O GLN A 89 0.671 1.269 4.804 1.00 0.00 O ATOM 1329 CB GLN A 89 -2.075 0.199 4.830 1.00 0.00 C ATOM 1330 CG GLN A 89 -3.031 1.389 4.926 1.00 0.00 C ATOM 1331 CD GLN A 89 -4.114 1.140 5.976 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -4.923 0.233 5.869 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -4.083 1.994 6.996 1.00 0.00 N ATOM 0 H GLN A 89 -0.336 -1.551 4.050 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.792 0.649 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.647 -0.728 4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.462 0.147 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.472 2.289 5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.495 1.567 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.378 2.731 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.764 1.912 7.751 1.00 0.00 H new ATOM 1342 N VAL A 90 0.008 2.297 2.901 1.00 0.00 N ATOM 1343 CA VAL A 90 1.010 3.345 2.987 1.00 0.00 C ATOM 1344 C VAL A 90 0.334 4.662 3.374 1.00 0.00 C ATOM 1345 O VAL A 90 -0.511 5.170 2.637 1.00 0.00 O ATOM 1346 CB VAL A 90 1.787 3.437 1.672 1.00 0.00 C ATOM 1347 CG1 VAL A 90 1.243 4.562 0.791 1.00 0.00 C ATOM 1348 CG2 VAL A 90 3.283 3.618 1.931 1.00 0.00 C ATOM 0 H VAL A 90 -0.608 2.360 2.090 1.00 0.00 H new ATOM 0 HA VAL A 90 1.738 3.112 3.764 1.00 0.00 H new ATOM 0 HB VAL A 90 1.651 2.497 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.813 4.605 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.194 4.372 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.334 5.512 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.812 3.681 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.446 4.535 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.659 2.768 2.500 1.00 0.00 H new ATOM 1358 N THR A 91 0.727 5.178 4.529 1.00 0.00 N ATOM 1359 CA THR A 91 0.170 6.425 5.022 1.00 0.00 C ATOM 1360 C THR A 91 1.126 7.585 4.742 1.00 0.00 C ATOM 1361 O THR A 91 2.335 7.384 4.625 1.00 0.00 O ATOM 1362 CB THR A 91 -0.151 6.244 6.507 1.00 0.00 C ATOM 1363 OG1 THR A 91 -1.319 5.430 6.515 1.00 0.00 O ATOM 1364 CG2 THR A 91 -0.601 7.547 7.171 1.00 0.00 C ATOM 0 H THR A 91 1.426 4.754 5.139 1.00 0.00 H new ATOM 0 HA THR A 91 -0.755 6.678 4.504 1.00 0.00 H new ATOM 0 HB THR A 91 0.728 5.857 7.023 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.595 5.263 7.440 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.816 7.363 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.191 8.291 7.087 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.499 7.916 6.676 1.00 0.00 H new ATOM 1372 N TYR A 92 0.551 8.775 4.642 1.00 0.00 N ATOM 1373 CA TYR A 92 1.337 9.967 4.380 1.00 0.00 C ATOM 1374 C TYR A 92 1.199 10.979 5.519 1.00 0.00 C ATOM 1375 O TYR A 92 0.250 10.914 6.299 1.00 0.00 O ATOM 1376 CB TYR A 92 0.764 10.576 3.098 1.00 0.00 C ATOM 1377 CG TYR A 92 0.828 9.647 1.885 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.252 8.394 1.946 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.458 10.061 0.730 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.311 7.519 0.804 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.517 9.187 -0.411 1.00 0.00 C ATOM 1382 CZ TYR A 92 0.941 7.958 -0.319 1.00 0.00 C ATOM 1383 OH TYR A 92 0.996 7.133 -1.397 1.00 0.00 O ATOM 0 H TYR A 92 -0.451 8.938 4.738 1.00 0.00 H new ATOM 0 HA TYR A 92 2.394 9.717 4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.275 10.856 3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.307 11.493 2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.243 8.070 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.907 11.042 0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.135 6.536 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.008 9.500 -1.321 1.00 0.00 H new ATOM 0 HH TYR A 92 0.086 6.909 -1.684 1.00 0.00 H new ATOM 1393 N GLN A 93 2.158 11.890 5.580 1.00 0.00 N ATOM 1394 CA GLN A 93 2.154 12.914 6.610 1.00 0.00 C ATOM 1395 C GLN A 93 0.794 13.611 6.661 1.00 0.00 C ATOM 1396 O GLN A 93 0.417 14.174 7.688 1.00 0.00 O ATOM 1397 CB GLN A 93 3.280 13.926 6.381 1.00 0.00 C ATOM 1398 CG GLN A 93 3.104 14.651 5.045 1.00 0.00 C ATOM 1399 CD GLN A 93 3.637 16.082 5.123 1.00 0.00 C ATOM 1400 OE1 GLN A 93 3.167 16.906 5.891 1.00 0.00 O ATOM 1401 NE2 GLN A 93 4.639 16.332 4.288 1.00 0.00 N ATOM 0 H GLN A 93 2.944 11.940 4.932 1.00 0.00 H new ATOM 0 HA GLN A 93 2.330 12.434 7.573 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.292 14.652 7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.242 13.414 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.628 14.106 4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.049 14.667 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.985 15.597 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.063 17.259 4.263 1.00 0.00 H new ATOM 1410 N GLY A 94 0.090 13.550 5.539 1.00 0.00 N ATOM 1411 CA GLY A 94 -1.222 14.167 5.443 1.00 0.00 C ATOM 1412 C GLY A 94 -2.096 13.441 4.420 1.00 0.00 C ATOM 1413 O GLY A 94 -2.942 14.055 3.772 1.00 0.00 O ATOM 0 H GLY A 94 0.404 13.082 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.708 14.150 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.116 15.214 5.158 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.863 12.141 4.307 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.619 11.323 3.375 1.00 0.00 C ATOM 1419 C HIS A 95 -2.567 9.859 3.814 1.00 0.00 C ATOM 1420 O HIS A 95 -1.938 9.532 4.821 1.00 0.00 O ATOM 1421 CB HIS A 95 -2.120 11.529 1.943 1.00 0.00 C ATOM 1422 CG HIS A 95 -3.223 11.591 0.912 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -3.562 10.513 0.113 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -4.059 12.610 0.560 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -4.558 10.879 -0.683 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.863 12.179 -0.404 1.00 0.00 N ATOM 0 H HIS A 95 -1.161 11.634 4.846 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.665 11.631 3.383 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.543 12.453 1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.441 10.717 1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.065 13.600 0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.042 10.257 -1.422 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.590 12.730 -0.861 1.00 0.00 H new ATOM 1434 N THR A 96 -3.234 9.017 3.042 1.00 0.00 N ATOM 1435 CA THR A 96 -3.271 7.595 3.338 1.00 0.00 C ATOM 1436 C THR A 96 -3.659 6.797 2.092 1.00 0.00 C ATOM 1437 O THR A 96 -4.347 7.312 1.212 1.00 0.00 O ATOM 1438 CB THR A 96 -4.225 7.383 4.517 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.147 5.985 4.780 1.00 0.00 O ATOM 1440 CG2 THR A 96 -5.688 7.609 4.134 1.00 0.00 C ATOM 0 H THR A 96 -3.755 9.292 2.209 1.00 0.00 H new ATOM 0 HA THR A 96 -2.286 7.226 3.625 1.00 0.00 H new ATOM 0 HB THR A 96 -3.954 8.058 5.329 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.346 5.796 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.322 7.446 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.817 8.631 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.970 6.911 3.345 1.00 0.00 H new ATOM 1448 N PHE A 97 -3.201 5.556 2.056 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.492 4.683 0.931 1.00 0.00 C ATOM 1450 C PHE A 97 -3.417 3.211 1.346 1.00 0.00 C ATOM 1451 O PHE A 97 -2.791 2.876 2.351 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.428 4.955 -0.134 1.00 0.00 C ATOM 1453 CG PHE A 97 -2.892 5.896 -1.248 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -4.030 5.618 -1.942 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -2.167 7.008 -1.545 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -4.459 6.491 -2.975 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -2.598 7.881 -2.581 1.00 0.00 C ATOM 1458 CZ PHE A 97 -3.735 7.604 -3.274 1.00 0.00 C ATOM 0 H PHE A 97 -2.630 5.133 2.788 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.498 4.878 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.548 5.383 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.121 4.008 -0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.605 4.735 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.264 7.228 -0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.362 6.272 -3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.023 8.764 -2.818 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.063 8.267 -4.061 1.00 0.00 H new ATOM 1468 N GLU A 98 -4.062 2.372 0.550 1.00 0.00 N ATOM 1469 CA GLU A 98 -4.075 0.944 0.821 1.00 0.00 C ATOM 1470 C GLU A 98 -4.327 0.162 -0.470 1.00 0.00 C ATOM 1471 O GLU A 98 -5.427 0.199 -1.019 1.00 0.00 O ATOM 1472 CB GLU A 98 -5.118 0.599 1.884 1.00 0.00 C ATOM 1473 CG GLU A 98 -4.676 -0.608 2.715 1.00 0.00 C ATOM 1474 CD GLU A 98 -5.869 -1.493 3.078 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -6.828 -1.590 2.298 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.776 -2.093 4.217 1.00 0.00 O ATOM 0 H GLU A 98 -4.580 2.653 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.098 0.658 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.274 1.457 2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.073 0.385 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.944 -1.190 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.183 -0.266 3.625 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.287 -0.528 -0.919 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.382 -1.318 -2.133 1.00 0.00 C ATOM 1486 C ASP A 99 -2.664 -2.654 -1.925 1.00 0.00 C ATOM 1487 O ASP A 99 -1.502 -2.684 -1.523 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.715 -0.602 -3.310 1.00 0.00 C ATOM 1489 CG ASP A 99 -3.264 0.794 -3.612 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -2.916 1.776 -2.941 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -4.094 0.851 -4.597 1.00 0.00 O ATOM 0 H ASP A 99 -2.375 -0.555 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.438 -1.470 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.647 -0.520 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.825 -1.220 -4.201 1.00 0.00 H new ATOM 1497 N SER A 100 -3.389 -3.728 -2.208 1.00 0.00 N ATOM 1498 CA SER A 100 -2.836 -5.063 -2.057 1.00 0.00 C ATOM 1499 C SER A 100 -3.775 -6.094 -2.687 1.00 0.00 C ATOM 1500 O SER A 100 -4.522 -5.774 -3.611 1.00 0.00 O ATOM 1501 CB SER A 100 -2.595 -5.395 -0.583 1.00 0.00 C ATOM 1502 OG SER A 100 -1.417 -6.175 -0.397 1.00 0.00 O ATOM 0 H SER A 100 -4.353 -3.700 -2.540 1.00 0.00 H new ATOM 0 HA SER A 100 -1.875 -5.095 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.511 -4.470 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.455 -5.937 -0.188 1.00 0.00 H new ATOM 0 HG SER A 100 -1.640 -7.127 -0.470 1.00 0.00 H new ATOM 1508 N THR A 101 -3.708 -7.307 -2.163 1.00 0.00 N ATOM 1509 CA THR A 101 -4.544 -8.386 -2.661 1.00 0.00 C ATOM 1510 C THR A 101 -5.104 -9.209 -1.500 1.00 0.00 C ATOM 1511 O THR A 101 -4.738 -8.987 -0.346 1.00 0.00 O ATOM 1512 CB THR A 101 -3.713 -9.212 -3.645 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.626 -10.188 -4.138 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.627 -10.035 -2.949 1.00 0.00 C ATOM 0 H THR A 101 -3.087 -7.568 -1.397 1.00 0.00 H new ATOM 0 HA THR A 101 -5.414 -7.998 -3.191 1.00 0.00 H new ATOM 0 HB THR A 101 -3.252 -8.548 -4.376 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.170 -10.766 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.067 -10.602 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.950 -9.367 -2.416 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.089 -10.723 -2.241 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.983 -10.139 -1.844 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.597 -10.995 -0.844 1.00 0.00 C ATOM 1524 C LYS A 102 -7.343 -12.133 -1.542 1.00 0.00 C ATOM 1525 O LYS A 102 -8.072 -11.903 -2.505 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.475 -10.171 0.099 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.268 -9.114 -0.672 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.608 -8.828 0.008 1.00 0.00 C ATOM 1529 CE LYS A 102 -10.487 -7.932 -0.865 1.00 0.00 C ATOM 1530 NZ LYS A 102 -11.758 -7.621 -0.173 1.00 0.00 N ATOM 0 H LYS A 102 -6.284 -10.318 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.835 -11.453 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.162 -10.830 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.852 -9.686 0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.686 -8.195 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.440 -9.456 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.125 -9.766 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.436 -8.347 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.957 -7.008 -1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.694 -8.428 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.343 -7.012 -0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.269 -8.504 0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.555 -7.128 0.720 1.00 0.00 H new