USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=28 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 89 GLN : amide:sc= 0 K(o=1.4,f=0.66) USER MOD Set 1.2: A 91 THR OG1 : rot -23:sc= 0.959 USER MOD Set 1.3: A 96 THR OG1 : rot -86:sc= 0.404 USER MOD Set 2.1: A 61 THR OG1 : rot -178:sc= -5.52! USER MOD Set 2.2: A 68 SER OG : rot 180:sc= -1.54! USER MOD Set 3.1: A 35 TYR OH : rot -4:sc= -8.04! USER MOD Set 3.2: A 39 THR OG1 : rot -151:sc= -0.216! USER MOD Set 3.3: A 69 THR OG1 : rot 88:sc= 1.55 USER MOD Single : A 8 THR OG1 : rot 36:sc= 0.893 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc=-0.00477 X(o=-0.0048,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -173:sc= -1.13 USER MOD Single : A 25 THR OG1 : rot -35:sc= 0.851 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -70:sc= -2.6! USER MOD Single : A 41 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.078) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 56 SER OG : rot 147:sc= -4.27! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 70 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.4!) USER MOD Single : A 71 SER OG : rot -150:sc= -1.23! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 86 TYR OH : rot 83:sc= 0.0448! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 92 TYR OH : rot 150:sc= -4.81! USER MOD Single : A 93 GLN : amide:sc= -4.3! C(o=-4.3!,f=-3.1!) USER MOD Single : A 95 HIS : no HD1:sc= -0.678 X(o=-0.68,f=-0.51) USER MOD Single : A 100 SER OG : rot -87:sc= -1.72! USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.172! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 2.024 8.823 -4.939 1.00 0.00 N ATOM 113 CA THR A 8 1.780 7.715 -5.847 1.00 0.00 C ATOM 114 C THR A 8 2.091 6.384 -5.160 1.00 0.00 C ATOM 115 O THR A 8 3.153 6.225 -4.559 1.00 0.00 O ATOM 116 CB THR A 8 2.605 7.953 -7.115 1.00 0.00 C ATOM 117 OG1 THR A 8 3.265 9.192 -6.872 1.00 0.00 O ATOM 118 CG2 THR A 8 1.729 8.231 -8.338 1.00 0.00 C ATOM 0 HA THR A 8 0.729 7.660 -6.131 1.00 0.00 H new ATOM 0 HB THR A 8 3.234 7.084 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.511 9.251 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.363 8.393 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.074 7.378 -8.518 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.125 9.120 -8.158 1.00 0.00 H new ATOM 126 N VAL A 9 1.146 5.463 -5.271 1.00 0.00 N ATOM 127 CA VAL A 9 1.306 4.150 -4.670 1.00 0.00 C ATOM 128 C VAL A 9 0.941 3.074 -5.693 1.00 0.00 C ATOM 129 O VAL A 9 -0.011 3.237 -6.456 1.00 0.00 O ATOM 130 CB VAL A 9 0.478 4.059 -3.386 1.00 0.00 C ATOM 131 CG1 VAL A 9 -0.986 3.740 -3.700 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.069 3.028 -2.423 1.00 0.00 C ATOM 0 H VAL A 9 0.266 5.600 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 9 2.345 3.986 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 9 0.512 5.032 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.553 3.681 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.403 4.526 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.046 2.786 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.461 2.984 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.080 2.048 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.087 3.316 -2.162 1.00 0.00 H new ATOM 142 N LYS A 10 1.717 2.000 -5.680 1.00 0.00 N ATOM 143 CA LYS A 10 1.487 0.899 -6.599 1.00 0.00 C ATOM 144 C LYS A 10 1.667 -0.427 -5.855 1.00 0.00 C ATOM 145 O LYS A 10 2.351 -0.480 -4.834 1.00 0.00 O ATOM 146 CB LYS A 10 2.377 1.037 -7.834 1.00 0.00 C ATOM 147 CG LYS A 10 1.862 2.138 -8.762 1.00 0.00 C ATOM 148 CD LYS A 10 0.490 1.775 -9.333 1.00 0.00 C ATOM 149 CE LYS A 10 0.480 1.899 -10.859 1.00 0.00 C ATOM 150 NZ LYS A 10 -0.815 2.440 -11.326 1.00 0.00 N ATOM 0 H LYS A 10 2.506 1.869 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 10 0.462 0.920 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.398 1.264 -7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.409 0.089 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.795 3.078 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.570 2.293 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.231 0.756 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.270 2.430 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.291 2.551 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.657 0.923 -11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.805 2.518 -12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.583 1.803 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.969 3.381 -10.910 1.00 0.00 H new ATOM 164 N ILE A 11 1.041 -1.461 -6.396 1.00 0.00 N ATOM 165 CA ILE A 11 1.124 -2.782 -5.796 1.00 0.00 C ATOM 166 C ILE A 11 1.524 -3.799 -6.867 1.00 0.00 C ATOM 167 O ILE A 11 0.746 -4.088 -7.776 1.00 0.00 O ATOM 168 CB ILE A 11 -0.181 -3.127 -5.078 1.00 0.00 C ATOM 169 CG1 ILE A 11 0.063 -3.385 -3.590 1.00 0.00 C ATOM 170 CG2 ILE A 11 -0.886 -4.304 -5.755 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.993 -4.582 -3.386 1.00 0.00 C ATOM 0 H ILE A 11 0.474 -1.411 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 11 1.898 -2.804 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.847 -2.268 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.500 -2.498 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.887 -3.569 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.811 -4.528 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.115 -4.045 -6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.235 -5.178 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.150 -4.743 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.542 -5.472 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.951 -4.385 -3.868 1.00 0.00 H new ATOM 183 N LEU A 12 2.735 -4.317 -6.724 1.00 0.00 N ATOM 184 CA LEU A 12 3.248 -5.296 -7.668 1.00 0.00 C ATOM 185 C LEU A 12 3.386 -6.649 -6.967 1.00 0.00 C ATOM 186 O LEU A 12 3.931 -6.730 -5.868 1.00 0.00 O ATOM 187 CB LEU A 12 4.547 -4.797 -8.304 1.00 0.00 C ATOM 188 CG LEU A 12 4.436 -3.527 -9.151 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.789 -3.154 -9.759 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.348 -3.673 -10.216 1.00 0.00 C ATOM 0 H LEU A 12 3.376 -4.077 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 12 2.549 -5.434 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.271 -4.618 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.951 -5.593 -8.930 1.00 0.00 H new ATOM 0 HG LEU A 12 4.140 -2.705 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.682 -2.248 -10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.511 -2.980 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.139 -3.968 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.289 -2.757 -10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.590 -4.510 -10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.388 -3.856 -9.733 1.00 0.00 H new ATOM 202 N GLN A 13 2.880 -7.677 -7.633 1.00 0.00 N ATOM 203 CA GLN A 13 2.940 -9.023 -7.089 1.00 0.00 C ATOM 204 C GLN A 13 4.004 -9.844 -7.820 1.00 0.00 C ATOM 205 O GLN A 13 4.172 -9.712 -9.031 1.00 0.00 O ATOM 206 CB GLN A 13 1.573 -9.706 -7.163 1.00 0.00 C ATOM 207 CG GLN A 13 0.534 -8.783 -7.801 1.00 0.00 C ATOM 208 CD GLN A 13 -0.878 -9.350 -7.640 1.00 0.00 C ATOM 209 OE1 GLN A 13 -1.466 -9.330 -6.571 1.00 0.00 O ATOM 210 NE2 GLN A 13 -1.387 -9.860 -8.758 1.00 0.00 N ATOM 0 H GLN A 13 2.427 -7.605 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 13 3.219 -8.957 -6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.653 -10.626 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.248 -9.988 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.588 -7.796 -7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.759 -8.654 -8.860 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.842 -9.845 -9.620 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.323 -10.266 -8.754 1.00 0.00 H new ATOM 219 N SER A 14 4.694 -10.676 -7.053 1.00 0.00 N ATOM 220 CA SER A 14 5.737 -11.518 -7.611 1.00 0.00 C ATOM 221 C SER A 14 5.563 -12.959 -7.125 1.00 0.00 C ATOM 222 O SER A 14 6.350 -13.442 -6.309 1.00 0.00 O ATOM 223 CB SER A 14 7.127 -10.996 -7.240 1.00 0.00 C ATOM 224 OG SER A 14 8.048 -11.115 -8.322 1.00 0.00 O ATOM 0 H SER A 14 4.550 -10.784 -6.049 1.00 0.00 H new ATOM 0 HA SER A 14 5.649 -11.494 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.054 -9.951 -6.940 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.504 -11.549 -6.380 1.00 0.00 H new ATOM 0 HG SER A 14 8.923 -10.770 -8.046 1.00 0.00 H new ATOM 230 N SER A 15 4.530 -13.606 -7.643 1.00 0.00 N ATOM 231 CA SER A 15 4.244 -14.980 -7.269 1.00 0.00 C ATOM 232 C SER A 15 4.162 -15.855 -8.522 1.00 0.00 C ATOM 233 O SER A 15 4.095 -15.343 -9.639 1.00 0.00 O ATOM 234 CB SER A 15 2.944 -15.074 -6.469 1.00 0.00 C ATOM 235 OG SER A 15 2.898 -16.248 -5.662 1.00 0.00 O ATOM 0 H SER A 15 3.881 -13.204 -8.319 1.00 0.00 H new ATOM 0 HA SER A 15 5.055 -15.339 -6.635 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.844 -14.194 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.096 -15.071 -7.154 1.00 0.00 H new ATOM 0 HG SER A 15 2.011 -16.329 -5.252 1.00 0.00 H new ATOM 351 N THR A 25 6.849 -19.190 -1.909 1.00 0.00 N ATOM 352 CA THR A 25 6.455 -18.001 -1.174 1.00 0.00 C ATOM 353 C THR A 25 5.830 -16.973 -2.116 1.00 0.00 C ATOM 354 O THR A 25 5.511 -17.288 -3.262 1.00 0.00 O ATOM 355 CB THR A 25 7.686 -17.475 -0.432 1.00 0.00 C ATOM 356 OG1 THR A 25 8.758 -17.682 -1.348 1.00 0.00 O ATOM 357 CG2 THR A 25 8.058 -18.340 0.775 1.00 0.00 C ATOM 0 HA THR A 25 5.685 -18.229 -0.437 1.00 0.00 H new ATOM 0 HB THR A 25 7.501 -16.452 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.606 -18.511 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.938 -17.922 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.226 -18.360 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.276 -19.355 0.442 1.00 0.00 H new ATOM 365 N ILE A 26 5.670 -15.763 -1.599 1.00 0.00 N ATOM 366 CA ILE A 26 5.087 -14.686 -2.382 1.00 0.00 C ATOM 367 C ILE A 26 5.927 -13.419 -2.204 1.00 0.00 C ATOM 368 O ILE A 26 6.351 -13.104 -1.093 1.00 0.00 O ATOM 369 CB ILE A 26 3.611 -14.501 -2.022 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.799 -14.074 -3.246 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.449 -13.524 -0.857 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.417 -13.562 -2.835 1.00 0.00 C ATOM 0 H ILE A 26 5.934 -15.505 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 26 5.104 -14.934 -3.443 1.00 0.00 H new ATOM 0 HB ILE A 26 3.216 -15.462 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.334 -13.294 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.690 -14.918 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.391 -13.411 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.976 -13.909 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.865 -12.555 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.860 -13.265 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.876 -14.353 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.529 -12.703 -2.173 1.00 0.00 H new ATOM 384 N GLN A 27 6.141 -12.729 -3.312 1.00 0.00 N ATOM 385 CA GLN A 27 6.922 -11.503 -3.293 1.00 0.00 C ATOM 386 C GLN A 27 6.083 -10.331 -3.801 1.00 0.00 C ATOM 387 O GLN A 27 6.114 -10.009 -4.988 1.00 0.00 O ATOM 388 CB GLN A 27 8.204 -11.657 -4.114 1.00 0.00 C ATOM 389 CG GLN A 27 9.424 -11.816 -3.203 1.00 0.00 C ATOM 390 CD GLN A 27 10.649 -12.262 -4.002 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.590 -12.507 -5.197 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.762 -12.353 -3.279 1.00 0.00 N ATOM 0 H GLN A 27 5.787 -12.995 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 27 7.212 -11.296 -2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.119 -12.525 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.336 -10.786 -4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.635 -10.870 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.208 -12.547 -2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.743 -12.134 -2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.635 -12.642 -3.721 1.00 0.00 H new ATOM 401 N LEU A 28 5.352 -9.723 -2.878 1.00 0.00 N ATOM 402 CA LEU A 28 4.505 -8.592 -3.217 1.00 0.00 C ATOM 403 C LEU A 28 5.194 -7.296 -2.785 1.00 0.00 C ATOM 404 O LEU A 28 5.295 -7.011 -1.593 1.00 0.00 O ATOM 405 CB LEU A 28 3.107 -8.772 -2.624 1.00 0.00 C ATOM 406 CG LEU A 28 2.543 -10.194 -2.653 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.839 -10.534 -1.338 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.629 -10.397 -3.862 1.00 0.00 C ATOM 0 H LEU A 28 5.329 -9.993 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 28 4.363 -8.533 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.127 -8.432 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.419 -8.119 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 28 3.376 -10.888 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.448 -11.550 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.549 -10.458 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.017 -9.837 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.242 -11.416 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.798 -9.693 -3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.194 -10.227 -4.778 1.00 0.00 H new ATOM 420 N LEU A 29 5.651 -6.547 -3.777 1.00 0.00 N ATOM 421 CA LEU A 29 6.327 -5.288 -3.514 1.00 0.00 C ATOM 422 C LEU A 29 5.481 -4.135 -4.057 1.00 0.00 C ATOM 423 O LEU A 29 5.097 -4.139 -5.225 1.00 0.00 O ATOM 424 CB LEU A 29 7.753 -5.320 -4.072 1.00 0.00 C ATOM 425 CG LEU A 29 7.960 -6.153 -5.338 1.00 0.00 C ATOM 426 CD1 LEU A 29 7.263 -5.508 -6.539 1.00 0.00 C ATOM 427 CD2 LEU A 29 9.447 -6.393 -5.600 1.00 0.00 C ATOM 0 H LEU A 29 5.567 -6.788 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 29 6.431 -5.129 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.063 -4.296 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.417 -5.703 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 29 7.499 -7.129 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.426 -6.120 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.194 -5.432 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.673 -4.512 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.566 -6.988 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.953 -5.436 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.884 -6.927 -4.756 1.00 0.00 H new ATOM 439 N CYS A 30 5.213 -3.178 -3.182 1.00 0.00 N ATOM 440 CA CYS A 30 4.420 -2.021 -3.559 1.00 0.00 C ATOM 441 C CYS A 30 5.369 -0.914 -4.019 1.00 0.00 C ATOM 442 O CYS A 30 6.517 -0.854 -3.580 1.00 0.00 O ATOM 443 CB CYS A 30 3.516 -1.557 -2.415 1.00 0.00 C ATOM 444 SG CYS A 30 2.601 -2.898 -1.568 1.00 0.00 S ATOM 0 H CYS A 30 5.531 -3.180 -2.213 1.00 0.00 H new ATOM 0 HA CYS A 30 3.752 -2.288 -4.378 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.125 -1.031 -1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.797 -0.837 -2.807 1.00 0.00 H new ATOM 449 N LEU A 31 4.857 -0.064 -4.898 1.00 0.00 N ATOM 450 CA LEU A 31 5.646 1.037 -5.422 1.00 0.00 C ATOM 451 C LEU A 31 5.017 2.362 -4.988 1.00 0.00 C ATOM 452 O LEU A 31 4.018 2.796 -5.557 1.00 0.00 O ATOM 453 CB LEU A 31 5.812 0.903 -6.937 1.00 0.00 C ATOM 454 CG LEU A 31 5.258 -0.379 -7.562 1.00 0.00 C ATOM 455 CD1 LEU A 31 4.861 -0.152 -9.022 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.251 -1.533 -7.412 1.00 0.00 C ATOM 0 H LEU A 31 3.905 -0.116 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 31 6.655 1.012 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.326 1.755 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.874 0.969 -7.173 1.00 0.00 H new ATOM 0 HG LEU A 31 4.353 -0.658 -7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.471 -1.079 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.094 0.621 -9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.735 0.164 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.834 -2.433 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.186 -1.276 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.442 -1.714 -6.354 1.00 0.00 H new ATOM 468 N VAL A 32 5.629 2.967 -3.980 1.00 0.00 N ATOM 469 CA VAL A 32 5.141 4.234 -3.461 1.00 0.00 C ATOM 470 C VAL A 32 6.302 5.230 -3.385 1.00 0.00 C ATOM 471 O VAL A 32 7.258 5.017 -2.644 1.00 0.00 O ATOM 472 CB VAL A 32 4.451 4.018 -2.113 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.474 3.976 -0.975 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.391 5.090 -1.861 1.00 0.00 C ATOM 0 H VAL A 32 6.458 2.604 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 32 4.392 4.657 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 32 3.946 3.052 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.958 3.821 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.174 3.158 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.020 4.919 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.916 4.912 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.861 6.073 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.638 5.050 -2.648 1.00 0.00 H new ATOM 484 N SER A 33 6.177 6.295 -4.163 1.00 0.00 N ATOM 485 CA SER A 33 7.203 7.323 -4.193 1.00 0.00 C ATOM 486 C SER A 33 6.596 8.653 -4.650 1.00 0.00 C ATOM 487 O SER A 33 5.398 8.735 -4.915 1.00 0.00 O ATOM 488 CB SER A 33 8.357 6.924 -5.113 1.00 0.00 C ATOM 489 OG SER A 33 7.893 6.385 -6.348 1.00 0.00 O ATOM 0 H SER A 33 5.381 6.468 -4.777 1.00 0.00 H new ATOM 0 HA SER A 33 7.602 7.438 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.982 7.795 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.985 6.189 -4.609 1.00 0.00 H new ATOM 0 HG SER A 33 8.660 6.144 -6.908 1.00 0.00 H new ATOM 495 N GLY A 34 7.453 9.662 -4.724 1.00 0.00 N ATOM 496 CA GLY A 34 7.017 10.982 -5.145 1.00 0.00 C ATOM 497 C GLY A 34 6.363 11.737 -3.986 1.00 0.00 C ATOM 498 O GLY A 34 6.653 12.913 -3.765 1.00 0.00 O ATOM 0 H GLY A 34 8.446 9.591 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.870 11.549 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.310 10.890 -5.969 1.00 0.00 H new ATOM 502 N TYR A 35 5.494 11.032 -3.277 1.00 0.00 N ATOM 503 CA TYR A 35 4.798 11.622 -2.146 1.00 0.00 C ATOM 504 C TYR A 35 5.785 12.054 -1.059 1.00 0.00 C ATOM 505 O TYR A 35 6.862 11.476 -0.930 1.00 0.00 O ATOM 506 CB TYR A 35 3.891 10.521 -1.589 1.00 0.00 C ATOM 507 CG TYR A 35 4.649 9.322 -1.019 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.482 9.486 0.070 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.501 8.076 -1.592 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.194 8.355 0.607 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.215 6.945 -1.055 1.00 0.00 C ATOM 512 CZ TYR A 35 6.025 7.142 0.019 1.00 0.00 C ATOM 513 OH TYR A 35 6.698 6.075 0.526 1.00 0.00 O ATOM 0 H TYR A 35 5.256 10.058 -3.464 1.00 0.00 H new ATOM 0 HA TYR A 35 4.240 12.506 -2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.260 10.944 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.227 10.175 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.600 10.461 0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.850 7.948 -2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.848 8.469 1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.109 5.964 -1.495 1.00 0.00 H new ATOM 0 HH TYR A 35 7.288 6.374 1.249 1.00 0.00 H new ATOM 523 N THR A 36 5.379 13.065 -0.305 1.00 0.00 N ATOM 524 CA THR A 36 6.213 13.581 0.768 1.00 0.00 C ATOM 525 C THR A 36 7.635 13.830 0.262 1.00 0.00 C ATOM 526 O THR A 36 8.170 13.042 -0.515 1.00 0.00 O ATOM 527 CB THR A 36 6.146 12.594 1.934 1.00 0.00 C ATOM 528 OG1 THR A 36 4.797 12.136 1.926 1.00 0.00 O ATOM 529 CG2 THR A 36 6.300 13.280 3.292 1.00 0.00 C ATOM 0 H THR A 36 4.484 13.541 -0.416 1.00 0.00 H new ATOM 0 HA THR A 36 5.853 14.547 1.121 1.00 0.00 H new ATOM 0 HB THR A 36 6.927 11.842 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.203 12.862 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.245 12.534 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.264 13.786 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.501 14.009 3.424 1.00 0.00 H new ATOM 537 N PRO A 37 8.225 14.961 0.738 1.00 0.00 N ATOM 538 CA PRO A 37 9.575 15.324 0.344 1.00 0.00 C ATOM 539 C PRO A 37 10.607 14.446 1.053 1.00 0.00 C ATOM 540 O PRO A 37 11.775 14.421 0.665 1.00 0.00 O ATOM 541 CB PRO A 37 9.704 16.797 0.698 1.00 0.00 C ATOM 542 CG PRO A 37 8.594 17.086 1.696 1.00 0.00 C ATOM 543 CD PRO A 37 7.622 15.918 1.661 1.00 0.00 C ATOM 0 HA PRO A 37 9.761 15.165 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.682 17.011 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.604 17.422 -0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.004 17.212 2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.084 18.015 1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.490 15.483 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.637 16.233 1.317 1.00 0.00 H new ATOM 551 N GLY A 38 10.142 13.748 2.077 1.00 0.00 N ATOM 552 CA GLY A 38 11.011 12.871 2.842 1.00 0.00 C ATOM 553 C GLY A 38 10.424 11.461 2.936 1.00 0.00 C ATOM 554 O GLY A 38 10.952 10.610 3.650 1.00 0.00 O ATOM 0 H GLY A 38 9.173 13.772 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.994 12.829 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.153 13.277 3.844 1.00 0.00 H new ATOM 558 N THR A 39 9.337 11.258 2.204 1.00 0.00 N ATOM 559 CA THR A 39 8.672 9.966 2.196 1.00 0.00 C ATOM 560 C THR A 39 7.538 9.944 3.222 1.00 0.00 C ATOM 561 O THR A 39 7.179 10.981 3.779 1.00 0.00 O ATOM 562 CB THR A 39 9.730 8.888 2.435 1.00 0.00 C ATOM 563 OG1 THR A 39 9.251 7.761 1.705 1.00 0.00 O ATOM 564 CG2 THR A 39 9.758 8.407 3.888 1.00 0.00 C ATOM 0 H THR A 39 8.901 11.966 1.613 1.00 0.00 H new ATOM 0 HA THR A 39 8.200 9.770 1.233 1.00 0.00 H new ATOM 0 HB THR A 39 10.711 9.277 2.162 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.564 6.937 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.526 7.642 4.003 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.981 9.247 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.787 7.988 4.151 1.00 0.00 H new ATOM 572 N ILE A 40 7.005 8.749 3.441 1.00 0.00 N ATOM 573 CA ILE A 40 5.919 8.578 4.390 1.00 0.00 C ATOM 574 C ILE A 40 6.239 7.406 5.319 1.00 0.00 C ATOM 575 O ILE A 40 7.383 7.240 5.741 1.00 0.00 O ATOM 576 CB ILE A 40 4.584 8.436 3.656 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.581 7.192 2.762 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.248 9.706 2.874 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.663 7.390 1.555 1.00 0.00 C ATOM 0 H ILE A 40 7.306 7.892 2.977 1.00 0.00 H new ATOM 0 HA ILE A 40 5.818 9.463 5.018 1.00 0.00 H new ATOM 0 HB ILE A 40 3.798 8.301 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.595 6.981 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.251 6.327 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.294 9.577 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.180 10.549 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.030 9.899 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.678 6.493 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.646 7.577 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.010 8.241 0.969 1.00 0.00 H new ATOM 591 N ASN A 41 5.210 6.624 5.610 1.00 0.00 N ATOM 592 CA ASN A 41 5.368 5.471 6.482 1.00 0.00 C ATOM 593 C ASN A 41 5.060 4.197 5.693 1.00 0.00 C ATOM 594 O ASN A 41 4.350 4.239 4.690 1.00 0.00 O ATOM 595 CB ASN A 41 4.404 5.540 7.666 1.00 0.00 C ATOM 596 CG ASN A 41 5.165 5.688 8.985 1.00 0.00 C ATOM 597 OD1 ASN A 41 4.865 5.050 9.979 1.00 0.00 O ATOM 598 ND2 ASN A 41 6.164 6.565 8.937 1.00 0.00 N ATOM 0 H ASN A 41 4.263 6.766 5.258 1.00 0.00 H new ATOM 0 HA ASN A 41 6.393 5.465 6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.725 6.383 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.792 4.638 7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.732 6.736 9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.362 7.066 8.071 1.00 0.00 H new ATOM 605 N ILE A 42 5.609 3.093 6.177 1.00 0.00 N ATOM 606 CA ILE A 42 5.400 1.807 5.532 1.00 0.00 C ATOM 607 C ILE A 42 4.714 0.853 6.513 1.00 0.00 C ATOM 608 O ILE A 42 5.198 0.646 7.624 1.00 0.00 O ATOM 609 CB ILE A 42 6.720 1.269 4.972 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.515 2.379 4.284 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.476 0.078 4.044 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.020 2.113 4.377 1.00 0.00 C ATOM 0 H ILE A 42 6.199 3.062 7.009 1.00 0.00 H new ATOM 0 HA ILE A 42 4.735 1.914 4.675 1.00 0.00 H new ATOM 0 HB ILE A 42 7.324 0.909 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.218 2.449 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.282 3.338 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.429 -0.285 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.981 -0.719 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.844 0.389 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.563 2.917 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.317 2.068 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.252 1.165 3.893 1.00 0.00 H new ATOM 624 N THR A 43 3.598 0.299 6.065 1.00 0.00 N ATOM 625 CA THR A 43 2.839 -0.627 6.888 1.00 0.00 C ATOM 626 C THR A 43 2.125 -1.658 6.012 1.00 0.00 C ATOM 627 O THR A 43 1.967 -1.453 4.810 1.00 0.00 O ATOM 628 CB THR A 43 1.889 0.189 7.765 1.00 0.00 C ATOM 629 OG1 THR A 43 2.680 1.289 8.208 1.00 0.00 O ATOM 630 CG2 THR A 43 1.509 -0.540 9.056 1.00 0.00 C ATOM 0 H THR A 43 3.200 0.473 5.142 1.00 0.00 H new ATOM 0 HA THR A 43 3.494 -1.202 7.542 1.00 0.00 H new ATOM 0 HB THR A 43 0.986 0.421 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.139 1.870 8.783 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.833 0.084 9.641 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.014 -1.480 8.811 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.408 -0.744 9.637 1.00 0.00 H new ATOM 638 N TRP A 44 1.712 -2.744 6.650 1.00 0.00 N ATOM 639 CA TRP A 44 1.018 -3.808 5.943 1.00 0.00 C ATOM 640 C TRP A 44 0.019 -4.445 6.911 1.00 0.00 C ATOM 641 O TRP A 44 0.372 -4.781 8.041 1.00 0.00 O ATOM 642 CB TRP A 44 2.011 -4.815 5.359 1.00 0.00 C ATOM 643 CG TRP A 44 3.041 -4.196 4.414 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.972 -3.275 4.697 1.00 0.00 C ATOM 645 CD2 TRP A 44 3.212 -4.492 3.012 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.726 -2.957 3.586 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.249 -3.721 2.529 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.513 -5.384 2.179 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.679 -3.763 1.197 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.955 -5.414 0.851 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.997 -4.643 0.350 1.00 0.00 C ATOM 0 H TRP A 44 1.844 -2.910 7.648 1.00 0.00 H new ATOM 0 HA TRP A 44 0.470 -3.411 5.089 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.535 -5.310 6.177 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.458 -5.586 4.822 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.115 -2.836 5.673 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.492 -2.285 3.548 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.699 -5.998 2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.494 -3.149 0.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.451 -6.083 0.169 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.279 -4.723 -0.689 1.00 0.00 H new ATOM 662 N LEU A 45 -1.207 -4.592 6.433 1.00 0.00 N ATOM 663 CA LEU A 45 -2.259 -5.185 7.243 1.00 0.00 C ATOM 664 C LEU A 45 -2.433 -6.653 6.853 1.00 0.00 C ATOM 665 O LEU A 45 -2.948 -6.956 5.777 1.00 0.00 O ATOM 666 CB LEU A 45 -3.546 -4.363 7.134 1.00 0.00 C ATOM 667 CG LEU A 45 -4.837 -5.085 7.517 1.00 0.00 C ATOM 668 CD1 LEU A 45 -4.851 -5.431 9.007 1.00 0.00 C ATOM 669 CD2 LEU A 45 -6.065 -4.270 7.105 1.00 0.00 C ATOM 0 H LEU A 45 -1.496 -4.311 5.496 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.983 -5.167 8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.445 -3.481 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.642 -4.009 6.107 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.877 -6.026 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.781 -5.944 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.006 -6.080 9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.776 -4.516 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.970 -4.807 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.044 -3.302 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.056 -4.120 6.025 1.00 0.00 H new ATOM 681 N GLU A 46 -1.992 -7.526 7.746 1.00 0.00 N ATOM 682 CA GLU A 46 -2.093 -8.956 7.508 1.00 0.00 C ATOM 683 C GLU A 46 -3.309 -9.531 8.237 1.00 0.00 C ATOM 684 O GLU A 46 -3.728 -9.003 9.265 1.00 0.00 O ATOM 685 CB GLU A 46 -0.810 -9.675 7.931 1.00 0.00 C ATOM 686 CG GLU A 46 -0.359 -10.670 6.861 1.00 0.00 C ATOM 687 CD GLU A 46 -0.172 -12.067 7.456 1.00 0.00 C ATOM 688 OE1 GLU A 46 -1.131 -12.649 7.984 1.00 0.00 O ATOM 689 OE2 GLU A 46 1.021 -12.547 7.353 1.00 0.00 O ATOM 0 H GLU A 46 -1.564 -7.271 8.636 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.225 -9.118 6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.021 -8.944 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.976 -10.199 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.097 -10.708 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.577 -10.332 6.416 1.00 0.00 H new ATOM 697 N ASP A 47 -3.841 -10.608 7.674 1.00 0.00 N ATOM 698 CA ASP A 47 -5.001 -11.261 8.258 1.00 0.00 C ATOM 699 C ASP A 47 -4.976 -12.748 7.902 1.00 0.00 C ATOM 700 O ASP A 47 -5.311 -13.129 6.782 1.00 0.00 O ATOM 701 CB ASP A 47 -6.301 -10.666 7.712 1.00 0.00 C ATOM 702 CG ASP A 47 -7.161 -9.937 8.744 1.00 0.00 C ATOM 703 OD1 ASP A 47 -6.723 -9.680 9.875 1.00 0.00 O ATOM 704 OD2 ASP A 47 -8.347 -9.624 8.343 1.00 0.00 O ATOM 0 H ASP A 47 -3.490 -11.044 6.821 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.963 -11.115 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.056 -9.971 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.892 -11.468 7.270 1.00 0.00 H new ATOM 796 N ASP A 54 6.074 -14.046 7.703 1.00 0.00 N ATOM 797 CA ASP A 54 5.504 -13.437 6.513 1.00 0.00 C ATOM 798 C ASP A 54 5.170 -11.973 6.805 1.00 0.00 C ATOM 799 O ASP A 54 4.124 -11.671 7.375 1.00 0.00 O ATOM 800 CB ASP A 54 4.209 -14.143 6.100 1.00 0.00 C ATOM 801 CG ASP A 54 3.406 -14.748 7.254 1.00 0.00 C ATOM 802 OD1 ASP A 54 2.998 -15.917 7.204 1.00 0.00 O ATOM 803 OD2 ASP A 54 3.201 -13.954 8.251 1.00 0.00 O ATOM 0 HA ASP A 54 6.234 -13.521 5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.576 -13.430 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.454 -14.936 5.393 1.00 0.00 H new ATOM 809 N LEU A 55 6.081 -11.102 6.397 1.00 0.00 N ATOM 810 CA LEU A 55 5.898 -9.674 6.608 1.00 0.00 C ATOM 811 C LEU A 55 6.343 -8.919 5.355 1.00 0.00 C ATOM 812 O LEU A 55 7.077 -9.455 4.528 1.00 0.00 O ATOM 813 CB LEU A 55 6.612 -9.225 7.884 1.00 0.00 C ATOM 814 CG LEU A 55 7.724 -8.189 7.701 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.738 -8.652 6.653 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.142 -6.815 7.368 1.00 0.00 C ATOM 0 H LEU A 55 6.947 -11.356 5.922 1.00 0.00 H new ATOM 0 HA LEU A 55 4.844 -9.443 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.869 -8.814 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.038 -10.104 8.367 1.00 0.00 H new ATOM 0 HG LEU A 55 8.260 -8.092 8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.517 -7.898 6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.186 -9.593 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.234 -8.795 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.953 -6.097 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.567 -6.878 6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.491 -6.489 8.179 1.00 0.00 H new ATOM 828 N SER A 56 5.877 -7.682 5.253 1.00 0.00 N ATOM 829 CA SER A 56 6.217 -6.846 4.114 1.00 0.00 C ATOM 830 C SER A 56 6.777 -5.505 4.598 1.00 0.00 C ATOM 831 O SER A 56 6.193 -4.863 5.470 1.00 0.00 O ATOM 832 CB SER A 56 5.002 -6.619 3.213 1.00 0.00 C ATOM 833 OG SER A 56 3.782 -6.642 3.949 1.00 0.00 O ATOM 0 H SER A 56 5.267 -7.239 5.940 1.00 0.00 H new ATOM 0 HA SER A 56 6.978 -7.361 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.101 -5.660 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.974 -7.388 2.441 1.00 0.00 H new ATOM 0 HG SER A 56 3.140 -6.026 3.538 1.00 0.00 H new ATOM 839 N THR A 57 7.900 -5.122 4.010 1.00 0.00 N ATOM 840 CA THR A 57 8.544 -3.869 4.370 1.00 0.00 C ATOM 841 C THR A 57 8.896 -3.071 3.115 1.00 0.00 C ATOM 842 O THR A 57 8.980 -3.630 2.022 1.00 0.00 O ATOM 843 CB THR A 57 9.757 -4.195 5.243 1.00 0.00 C ATOM 844 OG1 THR A 57 9.580 -5.567 5.588 1.00 0.00 O ATOM 845 CG2 THR A 57 9.723 -3.467 6.588 1.00 0.00 C ATOM 0 H THR A 57 8.381 -5.657 3.287 1.00 0.00 H new ATOM 0 HA THR A 57 7.874 -3.231 4.945 1.00 0.00 H new ATOM 0 HB THR A 57 10.669 -3.930 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.325 -5.861 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.606 -3.733 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.711 -2.390 6.419 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.827 -3.758 7.137 1.00 0.00 H new ATOM 853 N ALA A 58 9.093 -1.776 3.310 1.00 0.00 N ATOM 854 CA ALA A 58 9.434 -0.895 2.207 1.00 0.00 C ATOM 855 C ALA A 58 10.619 -0.014 2.611 1.00 0.00 C ATOM 856 O ALA A 58 10.836 0.236 3.796 1.00 0.00 O ATOM 857 CB ALA A 58 8.206 -0.074 1.811 1.00 0.00 C ATOM 0 H ALA A 58 9.023 -1.315 4.217 1.00 0.00 H new ATOM 0 HA ALA A 58 9.735 -1.473 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.462 0.587 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.403 -0.745 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.876 0.521 2.662 1.00 0.00 H new ATOM 863 N SER A 59 11.352 0.435 1.604 1.00 0.00 N ATOM 864 CA SER A 59 12.509 1.284 1.840 1.00 0.00 C ATOM 865 C SER A 59 12.196 2.722 1.422 1.00 0.00 C ATOM 866 O SER A 59 11.172 2.980 0.792 1.00 0.00 O ATOM 867 CB SER A 59 13.734 0.766 1.084 1.00 0.00 C ATOM 868 OG SER A 59 14.953 1.179 1.697 1.00 0.00 O ATOM 0 H SER A 59 11.168 0.228 0.622 1.00 0.00 H new ATOM 0 HA SER A 59 12.738 1.264 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.700 -0.323 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.705 1.126 0.056 1.00 0.00 H new ATOM 0 HG SER A 59 15.712 0.827 1.186 1.00 0.00 H new ATOM 874 N THR A 60 13.096 3.620 1.791 1.00 0.00 N ATOM 875 CA THR A 60 12.931 5.025 1.463 1.00 0.00 C ATOM 876 C THR A 60 13.921 5.440 0.373 1.00 0.00 C ATOM 877 O THR A 60 15.037 4.927 0.315 1.00 0.00 O ATOM 878 CB THR A 60 13.077 5.833 2.755 1.00 0.00 C ATOM 879 OG1 THR A 60 12.408 5.046 3.734 1.00 0.00 O ATOM 880 CG2 THR A 60 12.282 7.140 2.721 1.00 0.00 C ATOM 0 H THR A 60 13.943 3.402 2.315 1.00 0.00 H new ATOM 0 HA THR A 60 11.941 5.220 1.050 1.00 0.00 H new ATOM 0 HB THR A 60 14.130 6.053 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.456 5.495 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.420 7.674 3.661 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.635 7.759 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.224 6.919 2.581 1.00 0.00 H new ATOM 888 N THR A 61 13.475 6.364 -0.466 1.00 0.00 N ATOM 889 CA THR A 61 14.308 6.852 -1.551 1.00 0.00 C ATOM 890 C THR A 61 14.187 8.373 -1.674 1.00 0.00 C ATOM 891 O THR A 61 13.203 8.959 -1.225 1.00 0.00 O ATOM 892 CB THR A 61 13.908 6.107 -2.826 1.00 0.00 C ATOM 893 OG1 THR A 61 12.554 5.723 -2.595 1.00 0.00 O ATOM 894 CG2 THR A 61 14.650 4.779 -2.987 1.00 0.00 C ATOM 0 H THR A 61 12.548 6.787 -0.416 1.00 0.00 H new ATOM 0 HA THR A 61 15.363 6.655 -1.359 1.00 0.00 H new ATOM 0 HB THR A 61 14.105 6.739 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.226 5.205 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.329 4.292 -3.908 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.723 4.965 -3.030 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.428 4.133 -2.138 1.00 0.00 H new ATOM 902 N GLN A 62 15.202 8.968 -2.282 1.00 0.00 N ATOM 903 CA GLN A 62 15.223 10.410 -2.469 1.00 0.00 C ATOM 904 C GLN A 62 15.244 10.751 -3.959 1.00 0.00 C ATOM 905 O GLN A 62 16.005 10.160 -4.725 1.00 0.00 O ATOM 906 CB GLN A 62 16.414 11.039 -1.745 1.00 0.00 C ATOM 907 CG GLN A 62 17.735 10.595 -2.375 1.00 0.00 C ATOM 908 CD GLN A 62 18.925 11.264 -1.683 1.00 0.00 C ATOM 909 OE1 GLN A 62 18.869 11.644 -0.525 1.00 0.00 O ATOM 910 NE2 GLN A 62 20.000 11.389 -2.456 1.00 0.00 N ATOM 0 H GLN A 62 16.017 8.478 -2.652 1.00 0.00 H new ATOM 0 HA GLN A 62 14.315 10.827 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.335 12.125 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.395 10.756 -0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.830 9.512 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.739 10.846 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.979 11.049 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.845 11.825 -2.087 1.00 0.00 H new ATOM 919 N GLU A 63 14.400 11.705 -4.328 1.00 0.00 N ATOM 920 CA GLU A 63 14.313 12.132 -5.714 1.00 0.00 C ATOM 921 C GLU A 63 14.165 13.653 -5.790 1.00 0.00 C ATOM 922 O GLU A 63 13.150 14.158 -6.265 1.00 0.00 O ATOM 923 CB GLU A 63 13.156 11.433 -6.430 1.00 0.00 C ATOM 924 CG GLU A 63 13.335 9.913 -6.407 1.00 0.00 C ATOM 925 CD GLU A 63 12.553 9.252 -7.544 1.00 0.00 C ATOM 926 OE1 GLU A 63 11.339 9.039 -7.419 1.00 0.00 O ATOM 927 OE2 GLU A 63 13.253 8.956 -8.586 1.00 0.00 O ATOM 0 H GLU A 63 13.771 12.194 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 63 15.235 11.849 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.214 11.699 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.099 11.780 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.393 9.666 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.996 9.518 -5.450 1.00 0.00 H new ATOM 935 N GLY A 64 15.196 14.339 -5.317 1.00 0.00 N ATOM 936 CA GLY A 64 15.193 15.793 -5.327 1.00 0.00 C ATOM 937 C GLY A 64 14.219 16.348 -4.289 1.00 0.00 C ATOM 938 O GLY A 64 14.486 16.295 -3.088 1.00 0.00 O ATOM 0 H GLY A 64 16.037 13.916 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.198 16.163 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.917 16.152 -6.318 1.00 0.00 H new ATOM 942 N GLU A 65 13.104 16.866 -4.787 1.00 0.00 N ATOM 943 CA GLU A 65 12.087 17.428 -3.916 1.00 0.00 C ATOM 944 C GLU A 65 10.999 16.392 -3.632 1.00 0.00 C ATOM 945 O GLU A 65 10.059 16.662 -2.885 1.00 0.00 O ATOM 946 CB GLU A 65 11.490 18.699 -4.523 1.00 0.00 C ATOM 947 CG GLU A 65 10.512 19.365 -3.551 1.00 0.00 C ATOM 948 CD GLU A 65 10.454 20.876 -3.779 1.00 0.00 C ATOM 949 OE1 GLU A 65 11.450 21.577 -3.546 1.00 0.00 O ATOM 950 OE2 GLU A 65 9.323 21.319 -4.214 1.00 0.00 O ATOM 0 H GLU A 65 12.884 16.908 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 65 12.555 17.701 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.289 19.396 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.975 18.455 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.518 18.936 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.818 19.160 -2.525 1.00 0.00 H new ATOM 958 N LEU A 66 11.160 15.228 -4.244 1.00 0.00 N ATOM 959 CA LEU A 66 10.203 14.150 -4.066 1.00 0.00 C ATOM 960 C LEU A 66 10.805 13.085 -3.148 1.00 0.00 C ATOM 961 O LEU A 66 12.008 13.092 -2.889 1.00 0.00 O ATOM 962 CB LEU A 66 9.750 13.606 -5.423 1.00 0.00 C ATOM 963 CG LEU A 66 8.722 14.456 -6.176 1.00 0.00 C ATOM 964 CD1 LEU A 66 9.403 15.331 -7.231 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.624 13.580 -6.780 1.00 0.00 C ATOM 0 H LEU A 66 11.939 15.008 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 66 9.301 14.519 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.629 13.488 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.330 12.612 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 66 8.243 15.126 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.652 15.925 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.118 15.995 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.925 14.697 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.907 14.208 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.068 12.869 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.113 13.037 -5.985 1.00 0.00 H new ATOM 977 N ALA A 67 9.941 12.195 -2.680 1.00 0.00 N ATOM 978 CA ALA A 67 10.374 11.127 -1.797 1.00 0.00 C ATOM 979 C ALA A 67 9.774 9.803 -2.275 1.00 0.00 C ATOM 980 O ALA A 67 8.555 9.649 -2.320 1.00 0.00 O ATOM 981 CB ALA A 67 9.976 11.460 -0.357 1.00 0.00 C ATOM 0 H ALA A 67 8.944 12.193 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 67 11.459 11.027 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.301 10.658 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.450 12.394 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.893 11.566 -0.294 1.00 0.00 H new ATOM 987 N SER A 68 10.660 8.877 -2.618 1.00 0.00 N ATOM 988 CA SER A 68 10.232 7.571 -3.090 1.00 0.00 C ATOM 989 C SER A 68 10.240 6.569 -1.934 1.00 0.00 C ATOM 990 O SER A 68 10.664 6.897 -0.826 1.00 0.00 O ATOM 991 CB SER A 68 11.129 7.077 -4.228 1.00 0.00 C ATOM 992 OG SER A 68 10.969 5.682 -4.465 1.00 0.00 O ATOM 0 H SER A 68 11.671 9.006 -2.578 1.00 0.00 H new ATOM 0 HA SER A 68 9.217 7.661 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.896 7.629 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.171 7.287 -3.986 1.00 0.00 H new ATOM 0 HG SER A 68 11.557 5.405 -5.199 1.00 0.00 H new ATOM 998 N THR A 69 9.769 5.368 -2.231 1.00 0.00 N ATOM 999 CA THR A 69 9.717 4.315 -1.231 1.00 0.00 C ATOM 1000 C THR A 69 9.337 2.983 -1.880 1.00 0.00 C ATOM 1001 O THR A 69 8.260 2.856 -2.463 1.00 0.00 O ATOM 1002 CB THR A 69 8.746 4.754 -0.133 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.559 5.502 0.769 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.243 3.580 0.707 1.00 0.00 C ATOM 0 H THR A 69 9.419 5.100 -3.151 1.00 0.00 H new ATOM 0 HA THR A 69 10.694 4.153 -0.776 1.00 0.00 H new ATOM 0 HB THR A 69 7.897 5.268 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.586 6.440 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.558 3.947 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.724 2.869 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.089 3.086 1.185 1.00 0.00 H new ATOM 1012 N GLN A 70 10.240 2.021 -1.756 1.00 0.00 N ATOM 1013 CA GLN A 70 10.014 0.702 -2.322 1.00 0.00 C ATOM 1014 C GLN A 70 9.469 -0.248 -1.253 1.00 0.00 C ATOM 1015 O GLN A 70 10.119 -0.480 -0.236 1.00 0.00 O ATOM 1016 CB GLN A 70 11.294 0.147 -2.949 1.00 0.00 C ATOM 1017 CG GLN A 70 10.973 -0.880 -4.035 1.00 0.00 C ATOM 1018 CD GLN A 70 11.985 -0.802 -5.180 1.00 0.00 C ATOM 1019 OE1 GLN A 70 12.704 0.169 -5.342 1.00 0.00 O ATOM 1020 NE2 GLN A 70 12.001 -1.877 -5.963 1.00 0.00 N ATOM 0 H GLN A 70 11.131 2.129 -1.271 1.00 0.00 H new ATOM 0 HA GLN A 70 9.271 0.791 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.877 0.963 -3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.910 -0.315 -2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.980 -1.882 -3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.968 -0.705 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.372 -2.657 -5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.642 -1.922 -6.755 1.00 0.00 H new ATOM 1029 N SER A 71 8.282 -0.771 -1.523 1.00 0.00 N ATOM 1030 CA SER A 71 7.643 -1.691 -0.596 1.00 0.00 C ATOM 1031 C SER A 71 7.745 -3.122 -1.127 1.00 0.00 C ATOM 1032 O SER A 71 7.594 -3.356 -2.324 1.00 0.00 O ATOM 1033 CB SER A 71 6.179 -1.312 -0.368 1.00 0.00 C ATOM 1034 OG SER A 71 5.866 -0.031 -0.912 1.00 0.00 O ATOM 0 H SER A 71 7.746 -0.576 -2.369 1.00 0.00 H new ATOM 0 HA SER A 71 8.160 -1.628 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.535 -2.065 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.967 -1.313 0.701 1.00 0.00 H new ATOM 0 HG SER A 71 5.152 0.383 -0.384 1.00 0.00 H new ATOM 1040 N GLU A 72 8.000 -4.042 -0.209 1.00 0.00 N ATOM 1041 CA GLU A 72 8.123 -5.443 -0.569 1.00 0.00 C ATOM 1042 C GLU A 72 7.336 -6.315 0.412 1.00 0.00 C ATOM 1043 O GLU A 72 7.020 -5.880 1.518 1.00 0.00 O ATOM 1044 CB GLU A 72 9.593 -5.868 -0.622 1.00 0.00 C ATOM 1045 CG GLU A 72 9.725 -7.393 -0.595 1.00 0.00 C ATOM 1046 CD GLU A 72 11.190 -7.818 -0.687 1.00 0.00 C ATOM 1047 OE1 GLU A 72 11.741 -8.367 0.280 1.00 0.00 O ATOM 1048 OE2 GLU A 72 11.763 -7.562 -1.815 1.00 0.00 O ATOM 0 H GLU A 72 8.125 -3.844 0.784 1.00 0.00 H new ATOM 0 HA GLU A 72 7.702 -5.580 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.056 -5.475 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.130 -5.438 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.287 -7.783 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.165 -7.825 -1.424 1.00 0.00 H new ATOM 1056 N LEU A 73 7.044 -7.530 -0.029 1.00 0.00 N ATOM 1057 CA LEU A 73 6.300 -8.467 0.796 1.00 0.00 C ATOM 1058 C LEU A 73 6.873 -9.872 0.609 1.00 0.00 C ATOM 1059 O LEU A 73 7.218 -10.263 -0.505 1.00 0.00 O ATOM 1060 CB LEU A 73 4.802 -8.368 0.498 1.00 0.00 C ATOM 1061 CG LEU A 73 3.885 -9.206 1.391 1.00 0.00 C ATOM 1062 CD1 LEU A 73 2.494 -8.578 1.493 1.00 0.00 C ATOM 1063 CD2 LEU A 73 3.823 -10.657 0.908 1.00 0.00 C ATOM 0 H LEU A 73 7.309 -7.887 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 73 6.410 -8.217 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.503 -7.323 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.637 -8.664 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 73 4.308 -9.218 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.863 -9.194 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.577 -7.578 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.050 -8.514 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.164 -11.230 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.438 -10.685 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.823 -11.091 0.930 1.00 0.00 H new ATOM 1075 N THR A 74 6.958 -10.594 1.717 1.00 0.00 N ATOM 1076 CA THR A 74 7.485 -11.948 1.689 1.00 0.00 C ATOM 1077 C THR A 74 6.662 -12.858 2.603 1.00 0.00 C ATOM 1078 O THR A 74 6.651 -12.680 3.820 1.00 0.00 O ATOM 1079 CB THR A 74 8.967 -11.887 2.067 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.194 -10.511 2.357 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.886 -12.176 0.879 1.00 0.00 C ATOM 0 H THR A 74 6.671 -10.267 2.639 1.00 0.00 H new ATOM 0 HA THR A 74 7.407 -12.383 0.693 1.00 0.00 H new ATOM 0 HB THR A 74 9.169 -12.603 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.131 -10.381 2.613 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.926 -12.120 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.679 -13.174 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.709 -11.440 0.095 1.00 0.00 H new ATOM 1089 N LEU A 75 5.991 -13.817 1.980 1.00 0.00 N ATOM 1090 CA LEU A 75 5.167 -14.757 2.721 1.00 0.00 C ATOM 1091 C LEU A 75 5.297 -16.147 2.095 1.00 0.00 C ATOM 1092 O LEU A 75 5.685 -16.276 0.935 1.00 0.00 O ATOM 1093 CB LEU A 75 3.725 -14.253 2.807 1.00 0.00 C ATOM 1094 CG LEU A 75 2.687 -15.056 2.021 1.00 0.00 C ATOM 1095 CD1 LEU A 75 2.044 -16.130 2.900 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.643 -14.133 1.388 1.00 0.00 C ATOM 0 H LEU A 75 6.002 -13.963 0.971 1.00 0.00 H new ATOM 0 HA LEU A 75 5.514 -14.838 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.427 -14.240 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.700 -13.222 2.456 1.00 0.00 H new ATOM 0 HG LEU A 75 3.198 -15.570 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.310 -16.686 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.813 -16.813 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.550 -15.658 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.917 -14.730 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.131 -13.572 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.136 -13.439 0.707 1.00 0.00 H new ATOM 1108 N SER A 76 4.966 -17.153 2.892 1.00 0.00 N ATOM 1109 CA SER A 76 5.039 -18.529 2.431 1.00 0.00 C ATOM 1110 C SER A 76 3.756 -18.901 1.688 1.00 0.00 C ATOM 1111 O SER A 76 2.660 -18.539 2.115 1.00 0.00 O ATOM 1112 CB SER A 76 5.278 -19.488 3.598 1.00 0.00 C ATOM 1113 OG SER A 76 6.529 -19.253 4.236 1.00 0.00 O ATOM 0 H SER A 76 4.647 -17.042 3.854 1.00 0.00 H new ATOM 0 HA SER A 76 5.883 -18.617 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.474 -19.380 4.326 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.244 -20.515 3.235 1.00 0.00 H new ATOM 0 HG SER A 76 6.642 -19.885 4.977 1.00 0.00 H new ATOM 1119 N GLN A 77 3.932 -19.621 0.591 1.00 0.00 N ATOM 1120 CA GLN A 77 2.799 -20.049 -0.215 1.00 0.00 C ATOM 1121 C GLN A 77 1.821 -20.863 0.634 1.00 0.00 C ATOM 1122 O GLN A 77 0.623 -20.884 0.356 1.00 0.00 O ATOM 1123 CB GLN A 77 3.264 -20.847 -1.435 1.00 0.00 C ATOM 1124 CG GLN A 77 2.301 -20.665 -2.609 1.00 0.00 C ATOM 1125 CD GLN A 77 1.142 -21.660 -2.529 1.00 0.00 C ATOM 1126 OE1 GLN A 77 1.251 -22.732 -1.958 1.00 0.00 O ATOM 1127 NE2 GLN A 77 0.031 -21.246 -3.128 1.00 0.00 N ATOM 0 H GLN A 77 4.842 -19.920 0.240 1.00 0.00 H new ATOM 0 HA GLN A 77 2.281 -19.162 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.263 -20.523 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.334 -21.904 -1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.911 -19.647 -2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.837 -20.801 -3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.008 -20.336 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.799 -21.838 -3.128 1.00 0.00 H new ATOM 1136 N LYS A 78 2.370 -21.513 1.650 1.00 0.00 N ATOM 1137 CA LYS A 78 1.559 -22.328 2.540 1.00 0.00 C ATOM 1138 C LYS A 78 0.396 -21.490 3.073 1.00 0.00 C ATOM 1139 O LYS A 78 -0.768 -21.840 2.878 1.00 0.00 O ATOM 1140 CB LYS A 78 2.428 -22.943 3.640 1.00 0.00 C ATOM 1141 CG LYS A 78 1.612 -23.904 4.508 1.00 0.00 C ATOM 1142 CD LYS A 78 1.581 -25.306 3.892 1.00 0.00 C ATOM 1143 CE LYS A 78 0.706 -26.249 4.721 1.00 0.00 C ATOM 1144 NZ LYS A 78 -0.692 -26.218 4.238 1.00 0.00 N ATOM 0 H LYS A 78 3.364 -21.492 1.877 1.00 0.00 H new ATOM 0 HA LYS A 78 1.125 -23.169 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.267 -23.475 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.848 -22.152 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.043 -23.952 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.595 -23.528 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.199 -25.251 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.594 -25.703 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.096 -27.265 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.741 -25.958 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.272 -26.863 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.066 -25.251 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.722 -26.518 3.243 1.00 0.00 H new ATOM 1158 N HIS A 79 0.748 -20.398 3.735 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.254 -19.506 4.297 1.00 0.00 C ATOM 1160 C HIS A 79 -1.211 -19.049 3.196 1.00 0.00 C ATOM 1161 O HIS A 79 -2.420 -18.975 3.407 1.00 0.00 O ATOM 1162 CB HIS A 79 0.409 -18.339 5.030 1.00 0.00 C ATOM 1163 CG HIS A 79 0.941 -18.694 6.398 1.00 0.00 C ATOM 1164 ND1 HIS A 79 1.983 -19.584 6.590 1.00 0.00 N ATOM 1165 CD2 HIS A 79 0.565 -18.268 7.638 1.00 0.00 C ATOM 1166 CE1 HIS A 79 2.214 -19.684 7.890 1.00 0.00 C ATOM 1167 NE2 HIS A 79 1.335 -18.868 8.538 1.00 0.00 N ATOM 0 H HIS A 79 1.713 -20.110 3.895 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.844 -20.039 5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.229 -17.959 4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.314 -17.530 5.132 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.225 -17.563 7.851 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.967 -20.303 8.355 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.278 -18.739 9.548 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.632 -18.754 2.039 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.420 -18.305 0.903 1.00 0.00 C ATOM 1177 C TRP A 80 -2.468 -19.379 0.601 1.00 0.00 C ATOM 1178 O TRP A 80 -3.615 -19.060 0.297 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.521 -17.994 -0.297 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.285 -17.557 -1.549 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -1.969 -18.325 -2.405 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.414 -16.211 -2.051 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.527 -17.577 -3.421 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.180 -16.250 -3.198 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.901 -15.000 -1.554 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.500 -15.110 -3.945 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.229 -13.870 -2.310 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.000 -13.892 -3.467 1.00 0.00 C ATOM 0 H TRP A 80 0.371 -18.817 1.865 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.934 -17.372 1.134 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.180 -17.207 -0.019 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.070 -18.879 -0.534 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.071 -19.396 -2.312 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.090 -17.932 -4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.300 -14.947 -0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.100 -15.167 -4.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.858 -12.914 -1.972 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.212 -12.974 -3.995 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.034 -20.627 0.695 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.922 -21.748 0.435 1.00 0.00 C ATOM 1201 C LEU A 81 -3.951 -21.850 1.563 1.00 0.00 C ATOM 1202 O LEU A 81 -5.124 -22.117 1.314 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.116 -23.031 0.221 1.00 0.00 C ATOM 1204 CG LEU A 81 -2.911 -24.338 0.265 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -2.998 -24.973 -1.125 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -2.324 -25.301 1.299 1.00 0.00 C ATOM 0 H LEU A 81 -1.080 -20.887 0.947 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.476 -21.588 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.616 -22.965 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.336 -23.078 0.981 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.929 -24.109 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.568 -25.900 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.494 -24.285 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.994 -25.187 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.907 -26.222 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.290 -25.529 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.356 -24.839 2.286 1.00 0.00 H new ATOM 1218 N SER A 82 -3.473 -21.630 2.779 1.00 0.00 N ATOM 1219 CA SER A 82 -4.337 -21.695 3.947 1.00 0.00 C ATOM 1220 C SER A 82 -5.134 -20.394 4.079 1.00 0.00 C ATOM 1221 O SER A 82 -5.590 -20.051 5.168 1.00 0.00 O ATOM 1222 CB SER A 82 -3.527 -21.953 5.218 1.00 0.00 C ATOM 1223 OG SER A 82 -4.133 -22.942 6.045 1.00 0.00 O ATOM 0 H SER A 82 -2.499 -21.407 2.981 1.00 0.00 H new ATOM 0 HA SER A 82 -5.029 -22.527 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.521 -22.273 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.426 -21.024 5.779 1.00 0.00 H new ATOM 0 HG SER A 82 -3.585 -23.079 6.846 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.278 -19.709 2.955 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.011 -18.455 2.931 1.00 0.00 C ATOM 1231 C ASP A 83 -5.291 -17.433 3.812 1.00 0.00 C ATOM 1232 O ASP A 83 -4.671 -17.795 4.811 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.429 -18.636 3.477 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.007 -17.413 4.191 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -7.393 -16.863 5.117 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -9.156 -17.020 3.754 1.00 0.00 O ATOM 0 H ASP A 83 -4.899 -19.999 2.053 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.064 -18.114 1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.089 -18.902 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.431 -19.477 4.170 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.398 -16.174 3.411 1.00 0.00 N ATOM 1243 CA ARG A 84 -4.766 -15.096 4.151 1.00 0.00 C ATOM 1244 C ARG A 84 -5.101 -13.745 3.512 1.00 0.00 C ATOM 1245 O ARG A 84 -5.734 -13.692 2.460 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.246 -15.272 4.189 1.00 0.00 C ATOM 1247 CG ARG A 84 -2.793 -15.816 5.546 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.128 -14.720 6.382 1.00 0.00 C ATOM 1249 NE ARG A 84 -0.683 -14.651 6.073 1.00 0.00 N ATOM 1250 CZ ARG A 84 -0.128 -13.747 5.240 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -0.896 -12.822 4.622 1.00 0.00 N ATOM 1252 NH2 ARG A 84 1.175 -13.778 5.035 1.00 0.00 N ATOM 0 H ARG A 84 -5.914 -15.877 2.582 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.150 -15.124 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.935 -15.954 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.760 -14.316 3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.650 -16.219 6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.094 -16.639 5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.598 -13.759 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.272 -14.924 7.443 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.067 -15.331 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.903 -12.804 4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.469 -12.142 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.748 -14.479 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.609 -13.101 4.408 1.00 0.00 H new ATOM 1266 N THR A 85 -4.658 -12.687 4.175 1.00 0.00 N ATOM 1267 CA THR A 85 -4.902 -11.342 3.687 1.00 0.00 C ATOM 1268 C THR A 85 -3.628 -10.500 3.782 1.00 0.00 C ATOM 1269 O THR A 85 -3.097 -10.291 4.871 1.00 0.00 O ATOM 1270 CB THR A 85 -6.076 -10.757 4.474 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.189 -10.897 3.594 1.00 0.00 O ATOM 1272 CG2 THR A 85 -5.950 -9.246 4.679 1.00 0.00 C ATOM 0 H THR A 85 -4.131 -12.735 5.047 1.00 0.00 H new ATOM 0 HA THR A 85 -5.172 -11.349 2.631 1.00 0.00 H new ATOM 0 HB THR A 85 -6.143 -11.250 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.994 -10.544 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.809 -8.882 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.035 -9.029 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.916 -8.749 3.710 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.173 -10.039 2.626 1.00 0.00 N ATOM 1281 CA TYR A 86 -1.970 -9.226 2.565 1.00 0.00 C ATOM 1282 C TYR A 86 -2.266 -7.858 1.946 1.00 0.00 C ATOM 1283 O TYR A 86 -2.750 -7.774 0.819 1.00 0.00 O ATOM 1284 CB TYR A 86 -0.995 -9.981 1.660 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.600 -11.212 0.983 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.555 -11.058 -0.002 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.192 -12.476 1.357 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.125 -12.216 -0.639 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.762 -13.635 0.720 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.699 -13.448 -0.247 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.237 -14.543 -0.850 1.00 0.00 O ATOM 0 H TYR A 86 -3.616 -10.213 1.724 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.568 -9.059 3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.627 -9.301 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.133 -10.291 2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.874 -10.069 -0.295 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.445 -12.596 2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.874 -12.110 -1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.452 -14.630 1.004 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.770 -14.714 -1.695 1.00 0.00 H new ATOM 1301 N THR A 87 -1.961 -6.819 2.710 1.00 0.00 N ATOM 1302 CA THR A 87 -2.187 -5.459 2.251 1.00 0.00 C ATOM 1303 C THR A 87 -1.090 -4.530 2.776 1.00 0.00 C ATOM 1304 O THR A 87 -0.804 -4.514 3.971 1.00 0.00 O ATOM 1305 CB THR A 87 -3.592 -5.042 2.684 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.345 -6.251 2.632 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.276 -4.133 1.660 1.00 0.00 C ATOM 0 H THR A 87 -1.559 -6.892 3.645 1.00 0.00 H new ATOM 0 HA THR A 87 -2.133 -5.394 1.164 1.00 0.00 H new ATOM 0 HB THR A 87 -3.538 -4.530 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.270 -6.072 2.900 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.271 -3.867 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.684 -3.227 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.361 -4.657 0.708 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.504 -3.780 1.854 1.00 0.00 N ATOM 1316 CA CYS A 88 0.555 -2.851 2.207 1.00 0.00 C ATOM 1317 C CYS A 88 -0.070 -1.471 2.425 1.00 0.00 C ATOM 1318 O CYS A 88 -0.372 -0.763 1.465 1.00 0.00 O ATOM 1319 CB CYS A 88 1.657 -2.818 1.146 1.00 0.00 C ATOM 1320 SG CYS A 88 1.233 -1.885 -0.370 1.00 0.00 S ATOM 0 H CYS A 88 -0.743 -3.797 0.863 1.00 0.00 H new ATOM 0 HA CYS A 88 1.039 -3.179 3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.553 -2.381 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.905 -3.842 0.868 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.243 -1.129 3.693 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.826 0.153 4.050 1.00 0.00 C ATOM 1327 C GLN A 89 0.264 1.223 4.151 1.00 0.00 C ATOM 1328 O GLN A 89 1.017 1.257 5.124 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.616 0.052 5.356 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.337 1.368 5.663 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.967 1.333 7.057 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -3.262 0.285 7.608 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -3.156 2.536 7.594 1.00 0.00 N ATOM 0 H GLN A 89 0.010 -1.718 4.486 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.522 0.444 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.343 -0.757 5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.941 -0.197 6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.632 2.197 5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.109 1.547 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.886 3.373 7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.571 2.621 8.522 1.00 0.00 H new ATOM 1342 N VAL A 90 0.316 2.069 3.133 1.00 0.00 N ATOM 1343 CA VAL A 90 1.301 3.135 3.093 1.00 0.00 C ATOM 1344 C VAL A 90 0.692 4.409 3.685 1.00 0.00 C ATOM 1345 O VAL A 90 -0.365 4.855 3.246 1.00 0.00 O ATOM 1346 CB VAL A 90 1.812 3.324 1.665 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.387 4.730 1.469 1.00 0.00 C ATOM 1348 CG2 VAL A 90 2.846 2.254 1.305 1.00 0.00 C ATOM 0 H VAL A 90 -0.310 2.037 2.328 1.00 0.00 H new ATOM 0 HA VAL A 90 2.168 2.876 3.701 1.00 0.00 H new ATOM 0 HB VAL A 90 0.964 3.211 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.743 4.838 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.611 5.471 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.216 4.884 2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.193 2.412 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.692 2.320 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.391 1.267 1.385 1.00 0.00 H new ATOM 1358 N THR A 91 1.387 4.956 4.672 1.00 0.00 N ATOM 1359 CA THR A 91 0.927 6.168 5.327 1.00 0.00 C ATOM 1360 C THR A 91 1.603 7.395 4.712 1.00 0.00 C ATOM 1361 O THR A 91 2.592 7.269 3.992 1.00 0.00 O ATOM 1362 CB THR A 91 1.185 6.021 6.828 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.021 5.452 7.333 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.286 7.371 7.539 1.00 0.00 C ATOM 0 H THR A 91 2.264 4.582 5.033 1.00 0.00 H new ATOM 0 HA THR A 91 -0.143 6.316 5.179 1.00 0.00 H new ATOM 0 HB THR A 91 2.105 5.458 6.985 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.758 5.649 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.469 7.210 8.601 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.107 7.946 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.353 7.920 7.411 1.00 0.00 H new ATOM 1372 N TYR A 92 1.041 8.556 5.019 1.00 0.00 N ATOM 1373 CA TYR A 92 1.579 9.806 4.506 1.00 0.00 C ATOM 1374 C TYR A 92 1.411 10.932 5.525 1.00 0.00 C ATOM 1375 O TYR A 92 0.383 11.021 6.196 1.00 0.00 O ATOM 1376 CB TYR A 92 0.757 10.135 3.258 1.00 0.00 C ATOM 1377 CG TYR A 92 0.973 9.165 2.095 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.500 7.871 2.178 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.642 9.584 0.963 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.705 6.959 1.084 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.845 8.671 -0.132 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.366 7.402 -0.017 1.00 0.00 C ATOM 1383 OH TYR A 92 1.559 6.541 -1.051 1.00 0.00 O ATOM 0 H TYR A 92 0.220 8.657 5.616 1.00 0.00 H new ATOM 0 HA TYR A 92 2.643 9.709 4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.300 10.138 3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.006 11.143 2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.024 7.543 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.013 10.596 0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.341 5.944 1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.366 8.986 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 92 1.586 7.042 -1.893 1.00 0.00 H new ATOM 1393 N GLN A 93 2.436 11.768 5.610 1.00 0.00 N ATOM 1394 CA GLN A 93 2.416 12.887 6.537 1.00 0.00 C ATOM 1395 C GLN A 93 1.192 13.769 6.277 1.00 0.00 C ATOM 1396 O GLN A 93 0.872 14.645 7.079 1.00 0.00 O ATOM 1397 CB GLN A 93 3.708 13.702 6.440 1.00 0.00 C ATOM 1398 CG GLN A 93 3.854 14.339 5.058 1.00 0.00 C ATOM 1399 CD GLN A 93 4.875 15.479 5.085 1.00 0.00 C ATOM 1400 OE1 GLN A 93 4.562 16.633 4.843 1.00 0.00 O ATOM 1401 NE2 GLN A 93 6.109 15.091 5.393 1.00 0.00 N ATOM 0 H GLN A 93 3.286 11.693 5.052 1.00 0.00 H new ATOM 0 HA GLN A 93 2.348 12.493 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.710 14.479 7.204 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.564 13.057 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.166 13.584 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.888 14.719 4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.302 14.108 5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.863 15.777 5.438 1.00 0.00 H new ATOM 1410 N GLY A 94 0.543 13.508 5.153 1.00 0.00 N ATOM 1411 CA GLY A 94 -0.639 14.266 4.779 1.00 0.00 C ATOM 1412 C GLY A 94 -1.902 13.410 4.895 1.00 0.00 C ATOM 1413 O GLY A 94 -2.988 13.930 5.138 1.00 0.00 O ATOM 0 H GLY A 94 0.813 12.782 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.730 15.143 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.534 14.628 3.756 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.715 12.110 4.718 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.825 11.175 4.801 1.00 0.00 C ATOM 1419 C HIS A 95 -2.288 9.744 4.860 1.00 0.00 C ATOM 1420 O HIS A 95 -1.182 9.512 5.346 1.00 0.00 O ATOM 1421 CB HIS A 95 -3.807 11.393 3.648 1.00 0.00 C ATOM 1422 CG HIS A 95 -5.250 11.144 4.013 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -6.175 10.642 3.114 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -5.916 11.331 5.189 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -7.343 10.536 3.732 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -7.180 10.964 5.018 1.00 0.00 N ATOM 0 H HIS A 95 -0.811 11.682 4.517 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.387 11.353 5.718 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.706 12.417 3.287 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.533 10.736 2.823 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.487 11.713 6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -8.262 10.175 3.295 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -7.909 10.996 5.730 1.00 0.00 H new ATOM 1434 N THR A 96 -3.097 8.822 4.359 1.00 0.00 N ATOM 1435 CA THR A 96 -2.717 7.420 4.349 1.00 0.00 C ATOM 1436 C THR A 96 -3.454 6.676 3.233 1.00 0.00 C ATOM 1437 O THR A 96 -4.467 7.156 2.726 1.00 0.00 O ATOM 1438 CB THR A 96 -2.986 6.846 5.742 1.00 0.00 C ATOM 1439 OG1 THR A 96 -2.254 5.624 5.761 1.00 0.00 O ATOM 1440 CG2 THR A 96 -4.441 6.413 5.926 1.00 0.00 C ATOM 0 H THR A 96 -4.014 9.019 3.957 1.00 0.00 H new ATOM 0 HA THR A 96 -1.656 7.300 4.132 1.00 0.00 H new ATOM 0 HB THR A 96 -2.731 7.590 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.804 4.907 5.380 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.577 6.013 6.931 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.097 7.272 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.687 5.644 5.193 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.917 5.516 2.886 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.512 4.702 1.839 1.00 0.00 C ATOM 1450 C PHE A 97 -3.127 3.229 2.006 1.00 0.00 C ATOM 1451 O PHE A 97 -2.244 2.900 2.796 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.962 5.212 0.507 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.573 4.534 -0.721 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -4.762 4.966 -1.215 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -2.924 3.497 -1.319 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -5.330 4.336 -2.354 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -3.491 2.868 -2.457 1.00 0.00 C ATOM 1458 CZ PHE A 97 -4.683 3.300 -2.952 1.00 0.00 C ATOM 0 H PHE A 97 -2.078 5.120 3.310 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.599 4.775 1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.137 6.286 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.882 5.064 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.276 5.789 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.978 3.154 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.276 4.680 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.976 2.045 -2.931 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.114 2.821 -3.818 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.809 2.383 1.247 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.550 0.954 1.300 1.00 0.00 C ATOM 1470 C GLU A 98 -3.719 0.331 -0.087 1.00 0.00 C ATOM 1471 O GLU A 98 -4.601 0.732 -0.848 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.458 0.269 2.322 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.916 -1.109 2.702 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.715 -1.714 3.858 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -4.131 -2.095 4.883 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.990 -1.780 3.664 1.00 0.00 O ATOM 0 H GLU A 98 -4.540 2.660 0.592 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.519 0.804 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.540 0.890 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.462 0.168 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.961 -1.772 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.867 -1.025 2.985 1.00 0.00 H new ATOM 1484 N ASP A 99 -2.861 -0.636 -0.375 1.00 0.00 N ATOM 1485 CA ASP A 99 -2.907 -1.319 -1.657 1.00 0.00 C ATOM 1486 C ASP A 99 -2.273 -2.704 -1.516 1.00 0.00 C ATOM 1487 O ASP A 99 -1.102 -2.822 -1.164 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.119 -0.546 -2.719 1.00 0.00 C ATOM 1489 CG ASP A 99 -0.947 0.279 -2.183 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -1.125 1.162 -1.330 1.00 0.00 O ATOM 1491 OD2 ASP A 99 0.203 -0.019 -2.683 1.00 0.00 O ATOM 0 H ASP A 99 -2.130 -0.963 0.257 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.951 -1.394 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.738 -1.255 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.803 0.121 -3.243 1.00 0.00 H new ATOM 1497 N SER A 100 -3.078 -3.718 -1.797 1.00 0.00 N ATOM 1498 CA SER A 100 -2.612 -5.091 -1.705 1.00 0.00 C ATOM 1499 C SER A 100 -3.656 -6.039 -2.298 1.00 0.00 C ATOM 1500 O SER A 100 -4.412 -5.655 -3.190 1.00 0.00 O ATOM 1501 CB SER A 100 -2.311 -5.475 -0.255 1.00 0.00 C ATOM 1502 OG SER A 100 -1.249 -6.420 -0.163 1.00 0.00 O ATOM 0 H SER A 100 -4.050 -3.616 -2.089 1.00 0.00 H new ATOM 0 HA SER A 100 -1.687 -5.176 -2.275 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.050 -4.580 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.208 -5.892 0.203 1.00 0.00 H new ATOM 0 HG SER A 100 -1.610 -7.327 -0.248 1.00 0.00 H new ATOM 1508 N THR A 101 -3.666 -7.257 -1.780 1.00 0.00 N ATOM 1509 CA THR A 101 -4.603 -8.264 -2.248 1.00 0.00 C ATOM 1510 C THR A 101 -5.091 -9.124 -1.079 1.00 0.00 C ATOM 1511 O THR A 101 -4.691 -8.908 0.063 1.00 0.00 O ATOM 1512 CB THR A 101 -3.921 -9.072 -3.353 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.856 -10.102 -3.658 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.687 -9.826 -2.849 1.00 0.00 C ATOM 0 H THR A 101 -3.039 -7.571 -1.039 1.00 0.00 H new ATOM 0 HA THR A 101 -5.497 -7.804 -2.669 1.00 0.00 H new ATOM 0 HB THR A 101 -3.633 -8.405 -4.166 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.494 -10.673 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.240 -10.384 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.961 -9.114 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.981 -10.518 -2.059 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.948 -10.079 -1.406 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.495 -10.971 -0.398 1.00 0.00 C ATOM 1524 C LYS A 102 -7.086 -12.205 -1.082 1.00 0.00 C ATOM 1525 O LYS A 102 -7.654 -12.104 -2.169 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.490 -10.226 0.495 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.644 -9.653 -0.331 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.281 -8.456 0.376 1.00 0.00 C ATOM 1529 CE LYS A 102 -10.502 -7.949 -0.395 1.00 0.00 C ATOM 1530 NZ LYS A 102 -11.748 -8.490 0.194 1.00 0.00 N ATOM 0 H LYS A 102 -6.277 -10.255 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.707 -11.322 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.882 -10.904 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.979 -9.420 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.278 -9.349 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.396 -10.425 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -9.577 -8.741 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.549 -7.654 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.526 -6.859 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.428 -8.246 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.567 -8.136 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.729 -9.529 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.824 -8.185 1.185 1.00 0.00 H new