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= 0.0403 USER MOD Set 1.2: A 96 THR OG1 : rot 82:sc= 0.0374 USER MOD Set 2.1: A 35 TYR OH : rot 83:sc= -12.4! USER MOD Set 2.2: A 39 THR OG1 : rot 90:sc= 0.56 USER MOD Set 2.3: A 69 THR OG1 : rot 150:sc= -1.37! USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 68 SER OG : rot 180:sc= -1.56! USER MOD Single : A 8 THR OG1 : rot 60:sc= 0.815 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.7) USER MOD Single : A 14 SER OG : rot -54:sc= 0.414 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -41:sc= 0.263 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -140:sc= -0.0815 USER MOD Single : A 41 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.995 USER MOD Single : A 56 SER OG : rot 149:sc= -4.92! USER MOD Single : A 57 THR OG1 : rot 110:sc= -0.976 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 61 THR OG1 : rot 56:sc= -0.541! USER MOD Single : A 62 GLN : amide:sc= -0.385 K(o=-0.39,f=-2.6!) USER MOD Single : A 70 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 71 SER OG : rot 72:sc= 0.176 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00169 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -24.5! C(o=-24!,f=-27!) USER MOD Single : A 82 SER OG : rot -42:sc= 0.71 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 86 TYR OH : rot 62:sc= -3.46! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 169:sc= -1.45 USER MOD Single : A 93 GLN : amide:sc= -0.726 K(o=-0.73,f=-6.6!) USER MOD Single : A 95 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.23) USER MOD Single : A 100 SER OG : rot -92:sc= -1.35! USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 1.689 8.477 -4.687 1.00 0.00 N ATOM 113 CA THR A 8 1.481 7.399 -5.636 1.00 0.00 C ATOM 114 C THR A 8 1.849 6.053 -5.005 1.00 0.00 C ATOM 115 O THR A 8 2.971 5.868 -4.539 1.00 0.00 O ATOM 116 CB THR A 8 2.286 7.716 -6.898 1.00 0.00 C ATOM 117 OG1 THR A 8 3.052 8.863 -6.539 1.00 0.00 O ATOM 118 CG2 THR A 8 1.403 8.201 -8.049 1.00 0.00 C ATOM 0 HA THR A 8 0.430 7.317 -5.915 1.00 0.00 H new ATOM 0 HB THR A 8 2.835 6.829 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.627 8.646 -5.776 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.024 8.412 -8.920 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.676 7.429 -8.300 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.879 9.108 -7.748 1.00 0.00 H new ATOM 126 N VAL A 9 0.879 5.149 -5.010 1.00 0.00 N ATOM 127 CA VAL A 9 1.086 3.828 -4.442 1.00 0.00 C ATOM 128 C VAL A 9 0.660 2.768 -5.461 1.00 0.00 C ATOM 129 O VAL A 9 -0.351 2.929 -6.145 1.00 0.00 O ATOM 130 CB VAL A 9 0.342 3.709 -3.110 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.145 3.434 -3.333 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.973 2.628 -2.227 1.00 0.00 C ATOM 0 H VAL A 9 -0.051 5.306 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 9 2.142 3.666 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 9 0.430 4.663 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.649 3.354 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.584 4.251 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.264 2.500 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.427 2.562 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.929 1.667 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.013 2.884 -2.026 1.00 0.00 H new ATOM 142 N LYS A 10 1.452 1.708 -5.531 1.00 0.00 N ATOM 143 CA LYS A 10 1.168 0.624 -6.454 1.00 0.00 C ATOM 144 C LYS A 10 1.388 -0.715 -5.744 1.00 0.00 C ATOM 145 O LYS A 10 2.220 -0.817 -4.844 1.00 0.00 O ATOM 146 CB LYS A 10 1.992 0.782 -7.734 1.00 0.00 C ATOM 147 CG LYS A 10 1.338 0.036 -8.900 1.00 0.00 C ATOM 148 CD LYS A 10 0.243 0.885 -9.550 1.00 0.00 C ATOM 149 CE LYS A 10 -0.759 0.007 -10.297 1.00 0.00 C ATOM 150 NZ LYS A 10 -1.311 0.728 -11.466 1.00 0.00 N ATOM 0 H LYS A 10 2.290 1.577 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 10 0.124 0.653 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.088 1.839 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.000 0.400 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.094 -0.219 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.912 -0.902 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.275 1.464 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.693 1.598 -10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.272 -0.911 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.568 -0.283 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.990 0.116 -11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.793 1.592 -11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.538 0.983 -12.113 1.00 0.00 H new ATOM 164 N ILE A 11 0.625 -1.710 -6.176 1.00 0.00 N ATOM 165 CA ILE A 11 0.725 -3.036 -5.593 1.00 0.00 C ATOM 166 C ILE A 11 0.919 -4.065 -6.709 1.00 0.00 C ATOM 167 O ILE A 11 0.061 -4.213 -7.578 1.00 0.00 O ATOM 168 CB ILE A 11 -0.482 -3.320 -4.698 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.261 -4.585 -3.864 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.770 -3.394 -5.520 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.214 -4.747 -3.492 1.00 0.00 C ATOM 0 H ILE A 11 -0.064 -1.623 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 11 1.597 -3.102 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.593 -2.489 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.865 -4.537 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.596 -5.458 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.612 -3.597 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.930 -2.445 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.686 -4.193 -6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.343 -5.653 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.812 -4.819 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.539 -3.884 -2.910 1.00 0.00 H new ATOM 183 N LEU A 12 2.050 -4.751 -6.648 1.00 0.00 N ATOM 184 CA LEU A 12 2.369 -5.760 -7.641 1.00 0.00 C ATOM 185 C LEU A 12 2.745 -7.065 -6.935 1.00 0.00 C ATOM 186 O LEU A 12 3.305 -7.041 -5.839 1.00 0.00 O ATOM 187 CB LEU A 12 3.443 -5.250 -8.603 1.00 0.00 C ATOM 188 CG LEU A 12 4.527 -4.362 -7.984 1.00 0.00 C ATOM 189 CD1 LEU A 12 3.932 -3.052 -7.466 1.00 0.00 C ATOM 190 CD2 LEU A 12 5.296 -5.113 -6.898 1.00 0.00 C ATOM 0 H LEU A 12 2.758 -4.627 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 12 1.497 -5.971 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.926 -6.110 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.954 -4.691 -9.400 1.00 0.00 H new ATOM 0 HG LEU A 12 5.244 -4.103 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.722 -2.440 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.467 -2.512 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.182 -3.269 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.059 -4.460 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.607 -5.422 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.771 -5.993 -7.331 1.00 0.00 H new ATOM 202 N GLN A 13 2.425 -8.171 -7.590 1.00 0.00 N ATOM 203 CA GLN A 13 2.725 -9.482 -7.040 1.00 0.00 C ATOM 204 C GLN A 13 3.851 -10.146 -7.831 1.00 0.00 C ATOM 205 O GLN A 13 3.962 -9.954 -9.041 1.00 0.00 O ATOM 206 CB GLN A 13 1.474 -10.364 -7.016 1.00 0.00 C ATOM 207 CG GLN A 13 0.219 -9.546 -7.325 1.00 0.00 C ATOM 208 CD GLN A 13 0.014 -9.399 -8.835 1.00 0.00 C ATOM 209 OE1 GLN A 13 0.155 -10.340 -9.599 1.00 0.00 O ATOM 210 NE2 GLN A 13 -0.319 -8.172 -9.219 1.00 0.00 N ATOM 0 H GLN A 13 1.960 -8.186 -8.498 1.00 0.00 H new ATOM 0 HA GLN A 13 3.060 -9.355 -6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.577 -11.167 -7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.374 -10.833 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.652 -10.029 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.303 -8.560 -6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.420 -7.431 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.474 -7.971 -10.207 1.00 0.00 H new ATOM 219 N SER A 14 4.659 -10.915 -7.117 1.00 0.00 N ATOM 220 CA SER A 14 5.776 -11.609 -7.737 1.00 0.00 C ATOM 221 C SER A 14 5.794 -13.073 -7.289 1.00 0.00 C ATOM 222 O SER A 14 6.572 -13.446 -6.413 1.00 0.00 O ATOM 223 CB SER A 14 7.103 -10.933 -7.397 1.00 0.00 C ATOM 224 OG SER A 14 8.216 -11.792 -7.629 1.00 0.00 O ATOM 0 H SER A 14 4.563 -11.073 -6.114 1.00 0.00 H new ATOM 0 HA SER A 14 5.647 -11.567 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.213 -10.029 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.095 -10.625 -6.352 1.00 0.00 H new ATOM 0 HG SER A 14 8.082 -12.638 -7.152 1.00 0.00 H new ATOM 230 N SER A 15 4.930 -13.862 -7.912 1.00 0.00 N ATOM 231 CA SER A 15 4.839 -15.275 -7.588 1.00 0.00 C ATOM 232 C SER A 15 5.281 -16.116 -8.788 1.00 0.00 C ATOM 233 O SER A 15 6.167 -16.959 -8.666 1.00 0.00 O ATOM 234 CB SER A 15 3.419 -15.654 -7.169 1.00 0.00 C ATOM 235 OG SER A 15 3.312 -17.031 -6.823 1.00 0.00 O ATOM 0 H SER A 15 4.287 -13.549 -8.639 1.00 0.00 H new ATOM 0 HA SER A 15 5.502 -15.476 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.117 -15.043 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.729 -15.431 -7.983 1.00 0.00 H new ATOM 0 HG SER A 15 2.390 -17.231 -6.560 1.00 0.00 H new ATOM 351 N THR A 25 6.386 -19.338 -2.216 1.00 0.00 N ATOM 352 CA THR A 25 6.177 -18.104 -1.478 1.00 0.00 C ATOM 353 C THR A 25 5.506 -17.056 -2.371 1.00 0.00 C ATOM 354 O THR A 25 5.033 -17.375 -3.459 1.00 0.00 O ATOM 355 CB THR A 25 7.527 -17.650 -0.920 1.00 0.00 C ATOM 356 OG1 THR A 25 8.333 -17.451 -2.078 1.00 0.00 O ATOM 357 CG2 THR A 25 8.245 -18.763 -0.153 1.00 0.00 C ATOM 0 HA THR A 25 5.498 -18.256 -0.639 1.00 0.00 H new ATOM 0 HB THR A 25 7.379 -16.792 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.166 -18.172 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.198 -18.390 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.626 -19.086 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.423 -19.607 -0.819 1.00 0.00 H new ATOM 365 N ILE A 26 5.486 -15.827 -1.874 1.00 0.00 N ATOM 366 CA ILE A 26 4.882 -14.732 -2.611 1.00 0.00 C ATOM 367 C ILE A 26 5.696 -13.458 -2.381 1.00 0.00 C ATOM 368 O ILE A 26 6.109 -13.174 -1.256 1.00 0.00 O ATOM 369 CB ILE A 26 3.403 -14.592 -2.248 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.542 -14.438 -3.503 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.187 -13.443 -1.260 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.118 -14.006 -3.141 1.00 0.00 C ATOM 0 H ILE A 26 5.879 -15.567 -0.969 1.00 0.00 H new ATOM 0 HA ILE A 26 4.904 -14.936 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 26 3.086 -15.509 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.991 -13.701 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.512 -15.382 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.127 -13.365 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.754 -13.635 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.527 -12.509 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.526 -13.904 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.663 -14.757 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.150 -13.050 -2.619 1.00 0.00 H new ATOM 384 N GLN A 27 5.902 -12.720 -3.462 1.00 0.00 N ATOM 385 CA GLN A 27 6.658 -11.482 -3.392 1.00 0.00 C ATOM 386 C GLN A 27 5.763 -10.292 -3.739 1.00 0.00 C ATOM 387 O GLN A 27 5.728 -9.851 -4.887 1.00 0.00 O ATOM 388 CB GLN A 27 7.882 -11.534 -4.309 1.00 0.00 C ATOM 389 CG GLN A 27 9.079 -12.166 -3.595 1.00 0.00 C ATOM 390 CD GLN A 27 10.177 -12.541 -4.590 1.00 0.00 C ATOM 391 OE1 GLN A 27 11.131 -11.813 -4.804 1.00 0.00 O ATOM 392 NE2 GLN A 27 9.990 -13.717 -5.185 1.00 0.00 N ATOM 0 H GLN A 27 5.558 -12.957 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 27 7.016 -11.356 -2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.645 -12.108 -5.205 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.139 -10.526 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.475 -11.469 -2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.756 -13.055 -3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.168 -14.278 -4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.669 -14.057 -5.866 1.00 0.00 H new ATOM 401 N LEU A 28 5.058 -9.807 -2.727 1.00 0.00 N ATOM 402 CA LEU A 28 4.165 -8.677 -2.910 1.00 0.00 C ATOM 403 C LEU A 28 4.915 -7.381 -2.592 1.00 0.00 C ATOM 404 O LEU A 28 5.149 -7.065 -1.427 1.00 0.00 O ATOM 405 CB LEU A 28 2.888 -8.864 -2.091 1.00 0.00 C ATOM 406 CG LEU A 28 1.662 -9.358 -2.863 1.00 0.00 C ATOM 407 CD1 LEU A 28 0.693 -10.097 -1.938 1.00 0.00 C ATOM 408 CD2 LEU A 28 0.980 -8.206 -3.603 1.00 0.00 C ATOM 0 H LEU A 28 5.088 -10.177 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 28 3.843 -8.612 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.096 -9.571 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.638 -7.912 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 28 1.997 -10.072 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.169 -10.437 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.197 -10.956 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.360 -9.424 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.112 -8.584 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.660 -7.451 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.681 -7.761 -4.309 1.00 0.00 H new ATOM 420 N LEU A 29 5.272 -6.667 -3.650 1.00 0.00 N ATOM 421 CA LEU A 29 5.990 -5.413 -3.496 1.00 0.00 C ATOM 422 C LEU A 29 5.031 -4.246 -3.743 1.00 0.00 C ATOM 423 O LEU A 29 4.286 -4.247 -4.721 1.00 0.00 O ATOM 424 CB LEU A 29 7.227 -5.392 -4.398 1.00 0.00 C ATOM 425 CG LEU A 29 8.470 -6.092 -3.845 1.00 0.00 C ATOM 426 CD1 LEU A 29 8.144 -7.516 -3.395 1.00 0.00 C ATOM 427 CD2 LEU A 29 9.614 -6.060 -4.861 1.00 0.00 C ATOM 0 H LEU A 29 5.078 -6.933 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 29 6.362 -5.310 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.966 -5.855 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.482 -4.353 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 29 8.805 -5.546 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.045 -7.990 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.384 -7.486 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.770 -8.089 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.486 -6.564 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.304 -6.568 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.868 -5.025 -5.090 1.00 0.00 H new ATOM 439 N CYS A 30 5.080 -3.281 -2.839 1.00 0.00 N ATOM 440 CA CYS A 30 4.225 -2.110 -2.944 1.00 0.00 C ATOM 441 C CYS A 30 5.091 -0.920 -3.366 1.00 0.00 C ATOM 442 O CYS A 30 5.989 -0.512 -2.635 1.00 0.00 O ATOM 443 CB CYS A 30 3.476 -1.838 -1.637 1.00 0.00 C ATOM 444 SG CYS A 30 1.672 -1.596 -1.825 1.00 0.00 S ATOM 0 H CYS A 30 5.699 -3.285 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 30 3.456 -2.283 -3.697 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.648 -2.671 -0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.901 -0.950 -1.169 1.00 0.00 H new ATOM 449 N LEU A 31 4.786 -0.398 -4.544 1.00 0.00 N ATOM 450 CA LEU A 31 5.524 0.738 -5.072 1.00 0.00 C ATOM 451 C LEU A 31 4.822 2.033 -4.659 1.00 0.00 C ATOM 452 O LEU A 31 3.710 2.311 -5.106 1.00 0.00 O ATOM 453 CB LEU A 31 5.713 0.598 -6.584 1.00 0.00 C ATOM 454 CG LEU A 31 5.966 1.896 -7.353 1.00 0.00 C ATOM 455 CD1 LEU A 31 4.700 2.752 -7.414 1.00 0.00 C ATOM 456 CD2 LEU A 31 7.149 2.662 -6.756 1.00 0.00 C ATOM 0 H LEU A 31 4.039 -0.740 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 31 6.528 0.769 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.550 -0.076 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.825 0.121 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 31 6.231 1.641 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.907 3.669 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.909 2.196 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.381 3.002 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.309 3.581 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.936 2.907 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.046 2.044 -6.807 1.00 0.00 H new ATOM 468 N VAL A 32 5.501 2.791 -3.809 1.00 0.00 N ATOM 469 CA VAL A 32 4.957 4.049 -3.330 1.00 0.00 C ATOM 470 C VAL A 32 6.088 5.074 -3.206 1.00 0.00 C ATOM 471 O VAL A 32 6.987 4.914 -2.381 1.00 0.00 O ATOM 472 CB VAL A 32 4.205 3.829 -2.016 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.176 3.725 -0.837 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.173 4.934 -1.783 1.00 0.00 C ATOM 0 H VAL A 32 6.423 2.557 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 32 4.232 4.446 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 32 3.670 2.882 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.615 3.569 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.853 2.886 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.753 4.646 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.653 4.753 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.677 5.899 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.453 4.938 -2.601 1.00 0.00 H new ATOM 484 N SER A 33 6.004 6.103 -4.038 1.00 0.00 N ATOM 485 CA SER A 33 7.009 7.152 -4.031 1.00 0.00 C ATOM 486 C SER A 33 6.373 8.487 -4.418 1.00 0.00 C ATOM 487 O SER A 33 5.159 8.570 -4.606 1.00 0.00 O ATOM 488 CB SER A 33 8.161 6.819 -4.983 1.00 0.00 C ATOM 489 OG SER A 33 7.695 6.470 -6.283 1.00 0.00 O ATOM 0 H SER A 33 5.257 6.232 -4.720 1.00 0.00 H new ATOM 0 HA SER A 33 7.416 7.228 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.830 7.676 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.743 5.994 -4.573 1.00 0.00 H new ATOM 0 HG SER A 33 8.460 6.266 -6.861 1.00 0.00 H new ATOM 495 N GLY A 34 7.218 9.503 -4.526 1.00 0.00 N ATOM 496 CA GLY A 34 6.752 10.830 -4.885 1.00 0.00 C ATOM 497 C GLY A 34 6.163 11.552 -3.673 1.00 0.00 C ATOM 498 O GLY A 34 6.487 12.710 -3.417 1.00 0.00 O ATOM 0 H GLY A 34 8.224 9.432 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.579 11.412 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.999 10.755 -5.669 1.00 0.00 H new ATOM 502 N TYR A 35 5.305 10.837 -2.959 1.00 0.00 N ATOM 503 CA TYR A 35 4.668 11.395 -1.779 1.00 0.00 C ATOM 504 C TYR A 35 5.705 11.788 -0.727 1.00 0.00 C ATOM 505 O TYR A 35 6.728 11.118 -0.578 1.00 0.00 O ATOM 506 CB TYR A 35 3.781 10.283 -1.213 1.00 0.00 C ATOM 507 CG TYR A 35 4.547 9.021 -0.806 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.400 9.053 0.278 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.386 7.855 -1.524 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.121 7.867 0.660 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.106 6.668 -1.143 1.00 0.00 C ATOM 512 CZ TYR A 35 5.940 6.733 -0.068 1.00 0.00 C ATOM 513 OH TYR A 35 6.619 5.611 0.294 1.00 0.00 O ATOM 0 H TYR A 35 5.037 9.877 -3.175 1.00 0.00 H new ATOM 0 HA TYR A 35 4.104 12.291 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.245 10.666 -0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.031 10.016 -1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.527 9.967 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.719 7.832 -2.373 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.791 7.878 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.988 5.748 -1.696 1.00 0.00 H new ATOM 0 HH TYR A 35 6.137 5.156 1.016 1.00 0.00 H new ATOM 523 N THR A 36 5.409 12.869 -0.022 1.00 0.00 N ATOM 524 CA THR A 36 6.305 13.357 1.013 1.00 0.00 C ATOM 525 C THR A 36 7.739 13.437 0.483 1.00 0.00 C ATOM 526 O THR A 36 8.192 12.539 -0.224 1.00 0.00 O ATOM 527 CB THR A 36 6.157 12.448 2.234 1.00 0.00 C ATOM 528 OG1 THR A 36 4.748 12.295 2.387 1.00 0.00 O ATOM 529 CG2 THR A 36 6.600 13.131 3.529 1.00 0.00 C ATOM 0 H THR A 36 4.561 13.422 -0.147 1.00 0.00 H new ATOM 0 HA THR A 36 6.047 14.372 1.314 1.00 0.00 H new ATOM 0 HB THR A 36 6.742 11.541 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.518 12.320 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.475 12.443 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.649 13.417 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.993 14.020 3.697 1.00 0.00 H new ATOM 537 N PRO A 37 8.427 14.549 0.856 1.00 0.00 N ATOM 538 CA PRO A 37 9.800 14.756 0.425 1.00 0.00 C ATOM 539 C PRO A 37 10.761 13.858 1.205 1.00 0.00 C ATOM 540 O PRO A 37 11.939 13.760 0.866 1.00 0.00 O ATOM 541 CB PRO A 37 10.061 16.238 0.647 1.00 0.00 C ATOM 542 CG PRO A 37 8.991 16.709 1.618 1.00 0.00 C ATOM 543 CD PRO A 37 7.921 15.632 1.692 1.00 0.00 C ATOM 0 HA PRO A 37 9.958 14.488 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.058 16.402 1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.006 16.789 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.422 16.887 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.560 17.653 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.764 15.300 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.963 16.000 1.326 1.00 0.00 H new ATOM 551 N GLY A 38 10.224 13.224 2.237 1.00 0.00 N ATOM 552 CA GLY A 38 11.017 12.336 3.068 1.00 0.00 C ATOM 553 C GLY A 38 10.396 10.940 3.131 1.00 0.00 C ATOM 554 O GLY A 38 10.890 10.067 3.844 1.00 0.00 O ATOM 0 H GLY A 38 9.247 13.308 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.030 12.269 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.096 12.748 4.074 1.00 0.00 H new ATOM 558 N THR A 39 9.317 10.772 2.377 1.00 0.00 N ATOM 559 CA THR A 39 8.623 9.497 2.338 1.00 0.00 C ATOM 560 C THR A 39 7.453 9.496 3.325 1.00 0.00 C ATOM 561 O THR A 39 7.077 10.545 3.847 1.00 0.00 O ATOM 562 CB THR A 39 9.646 8.392 2.608 1.00 0.00 C ATOM 563 OG1 THR A 39 9.149 7.272 1.880 1.00 0.00 O ATOM 564 CG2 THR A 39 9.633 7.924 4.065 1.00 0.00 C ATOM 0 H THR A 39 8.908 11.498 1.789 1.00 0.00 H new ATOM 0 HA THR A 39 8.181 9.318 1.358 1.00 0.00 H new ATOM 0 HB THR A 39 10.643 8.751 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.517 7.282 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.377 7.140 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.867 8.764 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.646 7.535 4.313 1.00 0.00 H new ATOM 572 N ILE A 40 6.912 8.309 3.551 1.00 0.00 N ATOM 573 CA ILE A 40 5.792 8.159 4.466 1.00 0.00 C ATOM 574 C ILE A 40 6.065 6.983 5.409 1.00 0.00 C ATOM 575 O ILE A 40 7.202 6.764 5.822 1.00 0.00 O ATOM 576 CB ILE A 40 4.479 8.035 3.691 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.457 6.756 2.851 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.224 9.281 2.842 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.451 6.870 1.704 1.00 0.00 C ATOM 0 H ILE A 40 7.228 7.442 3.117 1.00 0.00 H new ATOM 0 HA ILE A 40 5.684 9.048 5.087 1.00 0.00 H new ATOM 0 HB ILE A 40 3.663 7.963 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.452 6.564 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.199 5.906 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.284 9.167 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.166 10.156 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.039 9.409 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.456 5.948 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.454 7.038 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.726 7.706 1.060 1.00 0.00 H new ATOM 591 N ASN A 41 5.001 6.259 5.721 1.00 0.00 N ATOM 592 CA ASN A 41 5.109 5.111 6.606 1.00 0.00 C ATOM 593 C ASN A 41 4.847 3.832 5.809 1.00 0.00 C ATOM 594 O ASN A 41 4.099 3.847 4.833 1.00 0.00 O ATOM 595 CB ASN A 41 4.078 5.187 7.733 1.00 0.00 C ATOM 596 CG ASN A 41 4.513 6.182 8.811 1.00 0.00 C ATOM 597 OD1 ASN A 41 4.970 5.817 9.881 1.00 0.00 O ATOM 598 ND2 ASN A 41 4.347 7.456 8.468 1.00 0.00 N ATOM 0 H ASN A 41 4.059 6.445 5.377 1.00 0.00 H new ATOM 0 HA ASN A 41 6.111 5.107 7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.112 5.486 7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.946 4.200 8.177 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.608 8.197 9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.958 7.692 7.555 1.00 0.00 H new ATOM 605 N ILE A 42 5.478 2.756 6.255 1.00 0.00 N ATOM 606 CA ILE A 42 5.323 1.471 5.598 1.00 0.00 C ATOM 607 C ILE A 42 4.636 0.492 6.552 1.00 0.00 C ATOM 608 O ILE A 42 5.121 0.256 7.658 1.00 0.00 O ATOM 609 CB ILE A 42 6.670 0.972 5.072 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.440 2.097 4.378 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.488 -0.244 4.160 1.00 0.00 C ATOM 612 CD1 ILE A 42 8.949 1.911 4.538 1.00 0.00 C ATOM 0 H ILE A 42 6.098 2.749 7.065 1.00 0.00 H new ATOM 0 HA ILE A 42 4.680 1.568 4.723 1.00 0.00 H new ATOM 0 HB ILE A 42 7.269 0.649 5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.183 2.118 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.142 3.058 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.461 -0.578 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.012 -1.050 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.861 0.029 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.471 2.725 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.206 1.915 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.247 0.960 4.096 1.00 0.00 H new ATOM 624 N THR A 43 3.518 -0.049 6.090 1.00 0.00 N ATOM 625 CA THR A 43 2.759 -0.996 6.891 1.00 0.00 C ATOM 626 C THR A 43 2.047 -2.004 5.987 1.00 0.00 C ATOM 627 O THR A 43 1.863 -1.757 4.798 1.00 0.00 O ATOM 628 CB THR A 43 1.806 -0.201 7.785 1.00 0.00 C ATOM 629 OG1 THR A 43 2.572 0.930 8.190 1.00 0.00 O ATOM 630 CG2 THR A 43 1.493 -0.927 9.096 1.00 0.00 C ATOM 0 H THR A 43 3.120 0.150 5.172 1.00 0.00 H new ATOM 0 HA THR A 43 3.412 -1.586 7.534 1.00 0.00 H new ATOM 0 HB THR A 43 0.879 -0.007 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.029 1.501 8.773 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.813 -0.321 9.694 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.026 -1.888 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.417 -1.090 9.651 1.00 0.00 H new ATOM 638 N TRP A 44 1.663 -3.119 6.589 1.00 0.00 N ATOM 639 CA TRP A 44 0.973 -4.167 5.855 1.00 0.00 C ATOM 640 C TRP A 44 -0.044 -4.815 6.798 1.00 0.00 C ATOM 641 O TRP A 44 0.290 -5.172 7.928 1.00 0.00 O ATOM 642 CB TRP A 44 1.967 -5.172 5.269 1.00 0.00 C ATOM 643 CG TRP A 44 3.019 -4.541 4.354 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.944 -3.624 4.669 1.00 0.00 C ATOM 645 CD2 TRP A 44 3.221 -4.824 2.953 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.722 -3.295 3.578 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.269 -4.047 2.502 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.538 -5.705 2.096 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.729 -4.075 1.179 1.00 0.00 C ATOM 650 CZ3 TRP A 44 3.010 -5.720 0.777 1.00 0.00 C ATOM 651 CH2 TRP A 44 4.064 -4.944 0.307 1.00 0.00 C ATOM 0 H TRP A 44 1.816 -3.320 7.577 1.00 0.00 H new ATOM 0 HA TRP A 44 0.440 -3.751 5.000 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.472 -5.687 6.086 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.417 -5.927 4.707 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.065 -3.196 5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.489 -2.623 3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.715 -6.321 2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.553 -3.459 0.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.521 -6.380 0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.368 -5.012 -0.727 1.00 0.00 H new ATOM 662 N LEU A 45 -1.265 -4.949 6.299 1.00 0.00 N ATOM 663 CA LEU A 45 -2.331 -5.546 7.082 1.00 0.00 C ATOM 664 C LEU A 45 -2.423 -7.038 6.755 1.00 0.00 C ATOM 665 O LEU A 45 -2.942 -7.417 5.706 1.00 0.00 O ATOM 666 CB LEU A 45 -3.643 -4.788 6.868 1.00 0.00 C ATOM 667 CG LEU A 45 -4.920 -5.526 7.279 1.00 0.00 C ATOM 668 CD1 LEU A 45 -5.031 -5.622 8.802 1.00 0.00 C ATOM 669 CD2 LEU A 45 -6.154 -4.872 6.655 1.00 0.00 C ATOM 0 H LEU A 45 -1.538 -4.654 5.362 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.113 -5.465 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.593 -3.852 7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.721 -4.528 5.812 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.866 -6.545 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.947 -6.150 9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.172 -6.165 9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.054 -4.619 9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.048 -5.415 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.225 -3.837 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.069 -4.898 5.569 1.00 0.00 H new ATOM 681 N GLU A 46 -1.913 -7.845 7.674 1.00 0.00 N ATOM 682 CA GLU A 46 -1.931 -9.287 7.497 1.00 0.00 C ATOM 683 C GLU A 46 -3.072 -9.907 8.303 1.00 0.00 C ATOM 684 O GLU A 46 -2.877 -10.326 9.444 1.00 0.00 O ATOM 685 CB GLU A 46 -0.585 -9.906 7.887 1.00 0.00 C ATOM 686 CG GLU A 46 -0.538 -11.389 7.520 1.00 0.00 C ATOM 687 CD GLU A 46 0.702 -12.059 8.119 1.00 0.00 C ATOM 688 OE1 GLU A 46 1.744 -11.409 8.279 1.00 0.00 O ATOM 689 OE2 GLU A 46 0.553 -13.305 8.419 1.00 0.00 O ATOM 0 H GLU A 46 -1.485 -7.527 8.544 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.100 -9.500 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.223 -9.377 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.423 -9.787 8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.437 -11.887 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.529 -11.500 6.436 1.00 0.00 H new ATOM 697 N ASP A 47 -4.242 -9.945 7.681 1.00 0.00 N ATOM 698 CA ASP A 47 -5.416 -10.507 8.327 1.00 0.00 C ATOM 699 C ASP A 47 -5.422 -12.024 8.135 1.00 0.00 C ATOM 700 O ASP A 47 -6.029 -12.531 7.191 1.00 0.00 O ATOM 701 CB ASP A 47 -6.702 -9.948 7.717 1.00 0.00 C ATOM 702 CG ASP A 47 -7.528 -9.062 8.652 1.00 0.00 C ATOM 703 OD1 ASP A 47 -8.758 -8.962 8.516 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.851 -8.449 9.563 1.00 0.00 O ATOM 0 H ASP A 47 -4.402 -9.595 6.736 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.376 -10.245 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.444 -9.372 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.323 -10.781 7.388 1.00 0.00 H new ATOM 796 N ASP A 54 6.122 -14.489 7.699 1.00 0.00 N ATOM 797 CA ASP A 54 5.851 -13.750 6.476 1.00 0.00 C ATOM 798 C ASP A 54 5.523 -12.297 6.827 1.00 0.00 C ATOM 799 O ASP A 54 4.511 -12.024 7.471 1.00 0.00 O ATOM 800 CB ASP A 54 4.654 -14.341 5.732 1.00 0.00 C ATOM 801 CG ASP A 54 3.351 -14.382 6.532 1.00 0.00 C ATOM 802 OD1 ASP A 54 2.686 -13.354 6.724 1.00 0.00 O ATOM 803 OD2 ASP A 54 3.019 -15.548 6.972 1.00 0.00 O ATOM 0 HA ASP A 54 6.735 -13.810 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.487 -13.761 4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.904 -15.355 5.421 1.00 0.00 H new ATOM 809 N LEU A 55 6.395 -11.403 6.385 1.00 0.00 N ATOM 810 CA LEU A 55 6.208 -9.985 6.643 1.00 0.00 C ATOM 811 C LEU A 55 6.573 -9.191 5.388 1.00 0.00 C ATOM 812 O LEU A 55 7.258 -9.701 4.502 1.00 0.00 O ATOM 813 CB LEU A 55 6.990 -9.560 7.889 1.00 0.00 C ATOM 814 CG LEU A 55 8.041 -8.470 7.682 1.00 0.00 C ATOM 815 CD1 LEU A 55 9.010 -8.849 6.560 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.383 -7.112 7.434 1.00 0.00 C ATOM 0 H LEU A 55 7.233 -11.633 5.850 1.00 0.00 H new ATOM 0 HA LEU A 55 5.162 -9.772 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.279 -9.213 8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.484 -10.440 8.301 1.00 0.00 H new ATOM 0 HG LEU A 55 8.625 -8.382 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.748 -8.057 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.517 -9.779 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.456 -8.982 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.154 -6.355 7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.758 -7.168 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.767 -6.844 8.292 1.00 0.00 H new ATOM 828 N SER A 56 6.102 -7.954 5.352 1.00 0.00 N ATOM 829 CA SER A 56 6.370 -7.085 4.218 1.00 0.00 C ATOM 830 C SER A 56 6.938 -5.750 4.706 1.00 0.00 C ATOM 831 O SER A 56 6.372 -5.119 5.599 1.00 0.00 O ATOM 832 CB SER A 56 5.105 -6.849 3.391 1.00 0.00 C ATOM 833 OG SER A 56 3.931 -6.847 4.199 1.00 0.00 O ATOM 0 H SER A 56 5.537 -7.532 6.089 1.00 0.00 H new ATOM 0 HA SER A 56 7.103 -7.576 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.187 -5.896 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.020 -7.624 2.630 1.00 0.00 H new ATOM 0 HG SER A 56 3.264 -6.247 3.805 1.00 0.00 H new ATOM 839 N THR A 57 8.051 -5.360 4.101 1.00 0.00 N ATOM 840 CA THR A 57 8.703 -4.112 4.463 1.00 0.00 C ATOM 841 C THR A 57 9.021 -3.295 3.211 1.00 0.00 C ATOM 842 O THR A 57 9.084 -3.837 2.110 1.00 0.00 O ATOM 843 CB THR A 57 9.939 -4.452 5.300 1.00 0.00 C ATOM 844 OG1 THR A 57 9.734 -5.806 5.689 1.00 0.00 O ATOM 845 CG2 THR A 57 9.976 -3.685 6.625 1.00 0.00 C ATOM 0 H THR A 57 8.518 -5.886 3.362 1.00 0.00 H new ATOM 0 HA THR A 57 8.048 -3.482 5.065 1.00 0.00 H new ATOM 0 HB THR A 57 10.839 -4.231 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.371 -6.382 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.872 -3.962 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.990 -2.614 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.093 -3.933 7.214 1.00 0.00 H new ATOM 853 N ALA A 58 9.212 -1.999 3.421 1.00 0.00 N ATOM 854 CA ALA A 58 9.524 -1.102 2.323 1.00 0.00 C ATOM 855 C ALA A 58 10.734 -0.244 2.699 1.00 0.00 C ATOM 856 O ALA A 58 10.971 0.019 3.877 1.00 0.00 O ATOM 857 CB ALA A 58 8.292 -0.258 1.990 1.00 0.00 C ATOM 0 H ALA A 58 9.156 -1.551 4.336 1.00 0.00 H new ATOM 0 HA ALA A 58 9.786 -1.666 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.525 0.416 1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.469 -0.913 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.003 0.325 2.865 1.00 0.00 H new ATOM 863 N SER A 59 11.466 0.170 1.675 1.00 0.00 N ATOM 864 CA SER A 59 12.645 0.993 1.883 1.00 0.00 C ATOM 865 C SER A 59 12.353 2.437 1.476 1.00 0.00 C ATOM 866 O SER A 59 11.382 2.702 0.770 1.00 0.00 O ATOM 867 CB SER A 59 13.842 0.450 1.096 1.00 0.00 C ATOM 868 OG SER A 59 14.962 0.196 1.937 1.00 0.00 O ATOM 0 H SER A 59 11.265 -0.049 0.699 1.00 0.00 H new ATOM 0 HA SER A 59 12.899 0.966 2.943 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.554 -0.470 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.123 1.166 0.324 1.00 0.00 H new ATOM 0 HG SER A 59 15.704 -0.151 1.398 1.00 0.00 H new ATOM 874 N THR A 60 13.212 3.334 1.938 1.00 0.00 N ATOM 875 CA THR A 60 13.058 4.746 1.631 1.00 0.00 C ATOM 876 C THR A 60 14.142 5.201 0.650 1.00 0.00 C ATOM 877 O THR A 60 15.288 4.765 0.742 1.00 0.00 O ATOM 878 CB THR A 60 13.070 5.521 2.950 1.00 0.00 C ATOM 879 OG1 THR A 60 12.422 4.648 3.872 1.00 0.00 O ATOM 880 CG2 THR A 60 12.167 6.757 2.912 1.00 0.00 C ATOM 0 H THR A 60 14.017 3.110 2.523 1.00 0.00 H new ATOM 0 HA THR A 60 12.109 4.940 1.131 1.00 0.00 H new ATOM 0 HB THR A 60 14.091 5.824 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.388 5.072 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.212 7.270 3.872 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.505 7.430 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.140 6.451 2.712 1.00 0.00 H new ATOM 888 N THR A 61 13.739 6.069 -0.265 1.00 0.00 N ATOM 889 CA THR A 61 14.661 6.587 -1.261 1.00 0.00 C ATOM 890 C THR A 61 14.366 8.059 -1.549 1.00 0.00 C ATOM 891 O THR A 61 13.264 8.538 -1.282 1.00 0.00 O ATOM 892 CB THR A 61 14.569 5.693 -2.501 1.00 0.00 C ATOM 893 OG1 THR A 61 13.388 4.924 -2.287 1.00 0.00 O ATOM 894 CG2 THR A 61 15.686 4.653 -2.560 1.00 0.00 C ATOM 0 H THR A 61 12.787 6.427 -0.338 1.00 0.00 H new ATOM 0 HA THR A 61 15.689 6.561 -0.899 1.00 0.00 H new ATOM 0 HB THR A 61 14.605 6.312 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.628 5.525 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.572 4.047 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.652 5.157 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.632 4.011 -1.681 1.00 0.00 H new ATOM 902 N GLN A 62 15.368 8.738 -2.089 1.00 0.00 N ATOM 903 CA GLN A 62 15.227 10.147 -2.416 1.00 0.00 C ATOM 904 C GLN A 62 15.017 10.325 -3.921 1.00 0.00 C ATOM 905 O GLN A 62 15.760 9.765 -4.726 1.00 0.00 O ATOM 906 CB GLN A 62 16.444 10.943 -1.934 1.00 0.00 C ATOM 907 CG GLN A 62 17.727 10.438 -2.594 1.00 0.00 C ATOM 908 CD GLN A 62 18.412 11.552 -3.385 1.00 0.00 C ATOM 909 OE1 GLN A 62 18.097 12.726 -3.258 1.00 0.00 O ATOM 910 NE2 GLN A 62 19.367 11.125 -4.208 1.00 0.00 N ATOM 0 H GLN A 62 16.281 8.339 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 62 14.349 10.535 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.305 12.000 -2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.531 10.860 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.407 10.058 -1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.495 9.605 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.582 10.130 -4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.884 11.793 -4.779 1.00 0.00 H new ATOM 919 N GLU A 63 13.999 11.105 -4.253 1.00 0.00 N ATOM 920 CA GLU A 63 13.680 11.365 -5.647 1.00 0.00 C ATOM 921 C GLU A 63 13.578 12.869 -5.897 1.00 0.00 C ATOM 922 O GLU A 63 12.529 13.365 -6.304 1.00 0.00 O ATOM 923 CB GLU A 63 12.390 10.652 -6.055 1.00 0.00 C ATOM 924 CG GLU A 63 12.684 9.485 -7.002 1.00 0.00 C ATOM 925 CD GLU A 63 12.195 9.795 -8.419 1.00 0.00 C ATOM 926 OE1 GLU A 63 13.001 10.164 -9.285 1.00 0.00 O ATOM 927 OE2 GLU A 63 10.929 9.635 -8.606 1.00 0.00 O ATOM 0 H GLU A 63 13.385 11.565 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 63 14.486 10.969 -6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.877 10.284 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.718 11.359 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.755 9.286 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.197 8.582 -6.634 1.00 0.00 H new ATOM 935 N GLY A 64 14.683 13.558 -5.643 1.00 0.00 N ATOM 936 CA GLY A 64 14.729 14.994 -5.836 1.00 0.00 C ATOM 937 C GLY A 64 13.948 15.721 -4.739 1.00 0.00 C ATOM 938 O GLY A 64 14.415 15.827 -3.605 1.00 0.00 O ATOM 0 H GLY A 64 15.552 13.145 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.765 15.332 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.313 15.247 -6.811 1.00 0.00 H new ATOM 942 N GLU A 65 12.774 16.206 -5.115 1.00 0.00 N ATOM 943 CA GLU A 65 11.924 16.920 -4.178 1.00 0.00 C ATOM 944 C GLU A 65 10.822 15.996 -3.652 1.00 0.00 C ATOM 945 O GLU A 65 10.008 16.405 -2.825 1.00 0.00 O ATOM 946 CB GLU A 65 11.328 18.174 -4.822 1.00 0.00 C ATOM 947 CG GLU A 65 10.540 18.993 -3.799 1.00 0.00 C ATOM 948 CD GLU A 65 10.926 20.472 -3.865 1.00 0.00 C ATOM 949 OE1 GLU A 65 11.400 21.034 -2.868 1.00 0.00 O ATOM 950 OE2 GLU A 65 10.723 21.037 -5.007 1.00 0.00 O ATOM 0 H GLU A 65 12.391 16.118 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 65 12.536 17.242 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.126 18.784 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.674 17.888 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.472 18.884 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.729 18.609 -2.797 1.00 0.00 H new ATOM 958 N LEU A 66 10.832 14.770 -4.152 1.00 0.00 N ATOM 959 CA LEU A 66 9.844 13.785 -3.743 1.00 0.00 C ATOM 960 C LEU A 66 10.531 12.687 -2.931 1.00 0.00 C ATOM 961 O LEU A 66 11.754 12.697 -2.774 1.00 0.00 O ATOM 962 CB LEU A 66 9.074 13.264 -4.958 1.00 0.00 C ATOM 963 CG LEU A 66 9.244 14.059 -6.253 1.00 0.00 C ATOM 964 CD1 LEU A 66 8.784 13.244 -7.462 1.00 0.00 C ATOM 965 CD2 LEU A 66 8.526 15.408 -6.163 1.00 0.00 C ATOM 0 H LEU A 66 11.509 14.435 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 66 9.097 14.240 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.382 12.235 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.014 13.239 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 66 10.305 14.266 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.916 13.833 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.376 12.332 -7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.731 12.985 -7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.661 15.955 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.463 15.243 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.942 15.987 -5.339 1.00 0.00 H new ATOM 977 N ALA A 67 9.719 11.767 -2.435 1.00 0.00 N ATOM 978 CA ALA A 67 10.235 10.661 -1.643 1.00 0.00 C ATOM 979 C ALA A 67 9.715 9.343 -2.217 1.00 0.00 C ATOM 980 O ALA A 67 8.507 9.117 -2.268 1.00 0.00 O ATOM 981 CB ALA A 67 9.837 10.856 -0.178 1.00 0.00 C ATOM 0 H ALA A 67 8.707 11.763 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 67 11.324 10.632 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.223 10.028 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.254 11.793 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.750 10.886 -0.097 1.00 0.00 H new ATOM 987 N SER A 68 10.654 8.505 -2.633 1.00 0.00 N ATOM 988 CA SER A 68 10.306 7.214 -3.202 1.00 0.00 C ATOM 989 C SER A 68 10.605 6.102 -2.193 1.00 0.00 C ATOM 990 O SER A 68 11.744 5.947 -1.753 1.00 0.00 O ATOM 991 CB SER A 68 11.064 6.964 -4.508 1.00 0.00 C ATOM 992 OG SER A 68 10.778 5.679 -5.054 1.00 0.00 O ATOM 0 H SER A 68 11.655 8.695 -2.587 1.00 0.00 H new ATOM 0 HA SER A 68 9.240 7.215 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.799 7.733 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.135 7.051 -4.328 1.00 0.00 H new ATOM 0 HG SER A 68 11.279 5.559 -5.887 1.00 0.00 H new ATOM 998 N THR A 69 9.563 5.355 -1.858 1.00 0.00 N ATOM 999 CA THR A 69 9.701 4.261 -0.911 1.00 0.00 C ATOM 1000 C THR A 69 9.214 2.951 -1.537 1.00 0.00 C ATOM 1001 O THR A 69 8.047 2.831 -1.905 1.00 0.00 O ATOM 1002 CB THR A 69 8.946 4.644 0.364 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.976 4.953 1.297 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.218 3.453 0.993 1.00 0.00 C ATOM 0 H THR A 69 8.620 5.486 -2.225 1.00 0.00 H new ATOM 0 HA THR A 69 10.745 4.091 -0.649 1.00 0.00 H new ATOM 0 HB THR A 69 8.227 5.431 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.652 5.627 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.699 3.779 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.495 3.052 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.941 2.679 1.251 1.00 0.00 H new ATOM 1012 N GLN A 70 10.134 2.004 -1.635 1.00 0.00 N ATOM 1013 CA GLN A 70 9.814 0.707 -2.209 1.00 0.00 C ATOM 1014 C GLN A 70 9.362 -0.260 -1.114 1.00 0.00 C ATOM 1015 O GLN A 70 10.035 -0.410 -0.095 1.00 0.00 O ATOM 1016 CB GLN A 70 11.006 0.141 -2.983 1.00 0.00 C ATOM 1017 CG GLN A 70 10.814 0.317 -4.491 1.00 0.00 C ATOM 1018 CD GLN A 70 12.069 -0.107 -5.256 1.00 0.00 C ATOM 1019 OE1 GLN A 70 12.418 -1.273 -5.331 1.00 0.00 O ATOM 1020 NE2 GLN A 70 12.727 0.905 -5.815 1.00 0.00 N ATOM 0 H GLN A 70 11.101 2.108 -1.327 1.00 0.00 H new ATOM 0 HA GLN A 70 8.993 0.836 -2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.920 0.644 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.127 -0.917 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.963 -0.276 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.583 1.359 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.379 1.858 -5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.580 0.728 -6.346 1.00 0.00 H new ATOM 1029 N SER A 71 8.223 -0.893 -1.359 1.00 0.00 N ATOM 1030 CA SER A 71 7.674 -1.842 -0.405 1.00 0.00 C ATOM 1031 C SER A 71 7.759 -3.260 -0.971 1.00 0.00 C ATOM 1032 O SER A 71 7.602 -3.464 -2.174 1.00 0.00 O ATOM 1033 CB SER A 71 6.224 -1.495 -0.059 1.00 0.00 C ATOM 1034 OG SER A 71 5.917 -0.134 -0.347 1.00 0.00 O ATOM 0 H SER A 71 7.666 -0.767 -2.204 1.00 0.00 H new ATOM 0 HA SER A 71 8.262 -1.788 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.552 -2.145 -0.620 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.047 -1.690 0.999 1.00 0.00 H new ATOM 0 HG SER A 71 5.869 -0.008 -1.318 1.00 0.00 H new ATOM 1040 N GLU A 72 8.008 -4.206 -0.077 1.00 0.00 N ATOM 1041 CA GLU A 72 8.118 -5.600 -0.472 1.00 0.00 C ATOM 1042 C GLU A 72 7.366 -6.493 0.516 1.00 0.00 C ATOM 1043 O GLU A 72 7.159 -6.112 1.668 1.00 0.00 O ATOM 1044 CB GLU A 72 9.584 -6.026 -0.587 1.00 0.00 C ATOM 1045 CG GLU A 72 10.494 -4.809 -0.766 1.00 0.00 C ATOM 1046 CD GLU A 72 11.951 -5.238 -0.960 1.00 0.00 C ATOM 1047 OE1 GLU A 72 12.578 -5.744 -0.021 1.00 0.00 O ATOM 1048 OE2 GLU A 72 12.427 -5.028 -2.141 1.00 0.00 O ATOM 0 H GLU A 72 8.137 -4.034 0.920 1.00 0.00 H new ATOM 0 HA GLU A 72 7.663 -5.713 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.878 -6.577 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.705 -6.703 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.165 -4.227 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.415 -4.160 0.106 1.00 0.00 H new ATOM 1056 N LEU A 73 6.976 -7.662 0.031 1.00 0.00 N ATOM 1057 CA LEU A 73 6.250 -8.611 0.858 1.00 0.00 C ATOM 1058 C LEU A 73 6.784 -10.020 0.599 1.00 0.00 C ATOM 1059 O LEU A 73 7.033 -10.393 -0.547 1.00 0.00 O ATOM 1060 CB LEU A 73 4.742 -8.476 0.632 1.00 0.00 C ATOM 1061 CG LEU A 73 3.852 -9.381 1.484 1.00 0.00 C ATOM 1062 CD1 LEU A 73 2.576 -8.652 1.913 1.00 0.00 C ATOM 1063 CD2 LEU A 73 3.546 -10.692 0.757 1.00 0.00 C ATOM 0 H LEU A 73 7.149 -7.974 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 73 6.412 -8.396 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.458 -7.440 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.533 -8.679 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 73 4.397 -9.636 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.962 -9.319 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.840 -7.771 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.017 -8.346 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.911 -11.317 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.031 -10.477 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.478 -11.217 0.546 1.00 0.00 H new ATOM 1075 N THR A 74 6.948 -10.765 1.682 1.00 0.00 N ATOM 1076 CA THR A 74 7.451 -12.125 1.587 1.00 0.00 C ATOM 1077 C THR A 74 6.644 -13.057 2.495 1.00 0.00 C ATOM 1078 O THR A 74 6.679 -12.920 3.717 1.00 0.00 O ATOM 1079 CB THR A 74 8.946 -12.101 1.911 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.220 -10.730 2.182 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.815 -12.425 0.696 1.00 0.00 C ATOM 0 H THR A 74 6.741 -10.452 2.631 1.00 0.00 H new ATOM 0 HA THR A 74 7.331 -12.522 0.579 1.00 0.00 H new ATOM 0 HB THR A 74 9.157 -12.817 2.706 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.169 -10.624 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.866 -12.394 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.568 -13.421 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.631 -11.692 -0.089 1.00 0.00 H new ATOM 1089 N LEU A 75 5.940 -13.982 1.863 1.00 0.00 N ATOM 1090 CA LEU A 75 5.127 -14.938 2.599 1.00 0.00 C ATOM 1091 C LEU A 75 5.219 -16.306 1.924 1.00 0.00 C ATOM 1092 O LEU A 75 5.554 -16.401 0.745 1.00 0.00 O ATOM 1093 CB LEU A 75 3.694 -14.419 2.745 1.00 0.00 C ATOM 1094 CG LEU A 75 2.735 -14.762 1.602 1.00 0.00 C ATOM 1095 CD1 LEU A 75 2.091 -16.133 1.823 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.691 -13.662 1.413 1.00 0.00 C ATOM 0 H LEU A 75 5.914 -14.092 0.849 1.00 0.00 H new ATOM 0 HA LEU A 75 5.505 -15.058 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.279 -14.814 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.731 -13.335 2.849 1.00 0.00 H new ATOM 0 HG LEU A 75 3.310 -14.820 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.414 -16.354 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.868 -16.896 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.532 -16.126 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.023 -13.931 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.114 -13.547 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.191 -12.722 1.179 1.00 0.00 H new ATOM 1108 N SER A 76 4.916 -17.335 2.702 1.00 0.00 N ATOM 1109 CA SER A 76 4.962 -18.695 2.195 1.00 0.00 C ATOM 1110 C SER A 76 3.649 -19.033 1.484 1.00 0.00 C ATOM 1111 O SER A 76 2.574 -18.666 1.953 1.00 0.00 O ATOM 1112 CB SER A 76 5.226 -19.696 3.324 1.00 0.00 C ATOM 1113 OG SER A 76 6.604 -20.047 3.412 1.00 0.00 O ATOM 0 H SER A 76 4.638 -17.254 3.680 1.00 0.00 H new ATOM 0 HA SER A 76 5.784 -18.766 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.899 -19.268 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.632 -20.595 3.158 1.00 0.00 H new ATOM 0 HG SER A 76 6.733 -20.685 4.144 1.00 0.00 H new ATOM 1119 N GLN A 77 3.781 -19.728 0.365 1.00 0.00 N ATOM 1120 CA GLN A 77 2.620 -20.118 -0.416 1.00 0.00 C ATOM 1121 C GLN A 77 1.703 -21.021 0.412 1.00 0.00 C ATOM 1122 O GLN A 77 0.484 -20.979 0.264 1.00 0.00 O ATOM 1123 CB GLN A 77 3.039 -20.807 -1.717 1.00 0.00 C ATOM 1124 CG GLN A 77 1.899 -20.790 -2.737 1.00 0.00 C ATOM 1125 CD GLN A 77 2.429 -21.018 -4.154 1.00 0.00 C ATOM 1126 OE1 GLN A 77 2.483 -22.130 -4.652 1.00 0.00 O ATOM 1127 NE2 GLN A 77 2.816 -19.907 -4.774 1.00 0.00 N ATOM 0 H GLN A 77 4.675 -20.032 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 77 2.067 -19.217 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.912 -20.305 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.331 -21.836 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.172 -21.563 -2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.377 -19.834 -2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.744 -19.007 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.185 -19.955 -5.724 1.00 0.00 H new ATOM 1136 N LYS A 78 2.328 -21.820 1.266 1.00 0.00 N ATOM 1137 CA LYS A 78 1.584 -22.732 2.118 1.00 0.00 C ATOM 1138 C LYS A 78 0.505 -21.954 2.872 1.00 0.00 C ATOM 1139 O LYS A 78 -0.679 -22.275 2.775 1.00 0.00 O ATOM 1140 CB LYS A 78 2.535 -23.509 3.032 1.00 0.00 C ATOM 1141 CG LYS A 78 2.037 -24.938 3.255 1.00 0.00 C ATOM 1142 CD LYS A 78 2.981 -25.709 4.180 1.00 0.00 C ATOM 1143 CE LYS A 78 2.197 -26.456 5.260 1.00 0.00 C ATOM 1144 NZ LYS A 78 2.470 -27.911 5.185 1.00 0.00 N ATOM 0 H LYS A 78 3.340 -21.854 1.386 1.00 0.00 H new ATOM 0 HA LYS A 78 1.073 -23.483 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.531 -23.532 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.623 -22.997 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.037 -24.915 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.959 -25.453 2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.570 -26.417 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.683 -25.019 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.472 -26.078 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.130 -26.273 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.930 -28.404 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.185 -28.270 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.486 -28.081 5.326 1.00 0.00 H new ATOM 1158 N HIS A 79 0.950 -20.945 3.605 1.00 0.00 N ATOM 1159 CA HIS A 79 0.038 -20.117 4.377 1.00 0.00 C ATOM 1160 C HIS A 79 -1.055 -19.567 3.457 1.00 0.00 C ATOM 1161 O HIS A 79 -2.229 -19.551 3.824 1.00 0.00 O ATOM 1162 CB HIS A 79 0.798 -19.017 5.119 1.00 0.00 C ATOM 1163 CG HIS A 79 0.364 -17.616 4.754 1.00 0.00 C ATOM 1164 ND1 HIS A 79 1.260 -16.583 4.553 1.00 0.00 N ATOM 1165 CD2 HIS A 79 -0.879 -17.093 4.558 1.00 0.00 C ATOM 1166 CE1 HIS A 79 0.579 -15.490 4.250 1.00 0.00 C ATOM 1167 NE2 HIS A 79 -0.749 -15.809 4.253 1.00 0.00 N ATOM 0 H HIS A 79 1.932 -20.681 3.681 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.448 -20.720 5.144 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.667 -19.159 6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.863 -19.122 4.912 1.00 0.00 H new ATOM 0 HD1 HIS A 79 2.275 -16.652 4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.811 -17.632 4.638 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.999 -14.518 4.038 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.629 -19.130 2.281 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.557 -18.580 1.308 1.00 0.00 C ATOM 1177 C TRP A 80 -2.678 -19.599 1.096 1.00 0.00 C ATOM 1178 O TRP A 80 -3.833 -19.224 0.894 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.836 -18.207 0.011 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.746 -17.596 -1.056 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.713 -18.202 -1.758 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.735 -16.228 -1.515 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -3.324 -17.325 -2.632 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.710 -16.088 -2.480 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.928 -15.144 -1.126 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.970 -14.881 -3.138 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.199 -13.943 -1.794 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.177 -13.786 -2.768 1.00 0.00 C ATOM 0 H TRP A 80 0.346 -19.146 1.980 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.994 -17.651 1.675 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -0.039 -17.500 0.241 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.362 -19.099 -0.398 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.980 -19.243 -1.654 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -4.087 -17.545 -3.272 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.160 -15.231 -0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.740 -14.797 -3.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.606 -13.079 -1.534 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.326 -12.825 -3.238 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.300 -20.868 1.147 1.00 0.00 N ATOM 1200 CA LEU A 81 -3.259 -21.942 0.962 1.00 0.00 C ATOM 1201 C LEU A 81 -4.232 -21.961 2.143 1.00 0.00 C ATOM 1202 O LEU A 81 -5.421 -22.223 1.967 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.535 -23.274 0.740 1.00 0.00 C ATOM 1204 CG LEU A 81 -3.385 -24.411 0.170 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -2.988 -24.720 -1.274 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -3.313 -25.651 1.063 1.00 0.00 C ATOM 0 H LEU A 81 -1.342 -21.176 1.314 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.852 -21.773 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.696 -23.101 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.117 -23.601 1.692 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.425 -24.086 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.607 -25.532 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.134 -23.832 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.940 -25.017 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.926 -26.444 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.279 -25.989 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.682 -25.404 2.058 1.00 0.00 H new ATOM 1218 N SER A 82 -3.690 -21.679 3.319 1.00 0.00 N ATOM 1219 CA SER A 82 -4.495 -21.660 4.529 1.00 0.00 C ATOM 1220 C SER A 82 -5.272 -20.346 4.618 1.00 0.00 C ATOM 1221 O SER A 82 -5.685 -19.936 5.703 1.00 0.00 O ATOM 1222 CB SER A 82 -3.625 -21.847 5.773 1.00 0.00 C ATOM 1223 OG SER A 82 -4.406 -21.953 6.960 1.00 0.00 O ATOM 0 H SER A 82 -2.703 -21.462 3.460 1.00 0.00 H new ATOM 0 HA SER A 82 -5.200 -22.490 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.016 -22.744 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.938 -21.006 5.865 1.00 0.00 H new ATOM 0 HG SER A 82 -5.134 -21.298 6.932 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.451 -19.719 3.463 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.172 -18.460 3.398 1.00 0.00 C ATOM 1231 C ASP A 83 -5.414 -17.401 4.203 1.00 0.00 C ATOM 1232 O ASP A 83 -4.745 -17.723 5.183 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.573 -18.595 3.998 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.550 -19.437 3.176 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -8.418 -20.664 3.085 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -9.495 -18.769 2.602 1.00 0.00 O ATOM 0 H ASP A 83 -5.108 -20.061 2.565 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.255 -18.173 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.485 -19.034 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.995 -17.598 4.126 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.544 -16.161 3.755 1.00 0.00 N ATOM 1243 CA ARG A 84 -4.880 -15.052 4.420 1.00 0.00 C ATOM 1244 C ARG A 84 -5.188 -13.739 3.700 1.00 0.00 C ATOM 1245 O ARG A 84 -5.597 -13.744 2.539 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.364 -15.262 4.459 1.00 0.00 C ATOM 1247 CG ARG A 84 -2.795 -14.897 5.830 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.665 -16.135 6.718 1.00 0.00 C ATOM 1249 NE ARG A 84 -1.283 -16.245 7.236 1.00 0.00 N ATOM 1250 CZ ARG A 84 -0.916 -17.064 8.246 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -1.826 -17.853 8.853 1.00 0.00 N ATOM 1252 NH2 ARG A 84 0.347 -17.080 8.628 1.00 0.00 N ATOM 0 H ARG A 84 -6.099 -15.899 2.940 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.256 -15.005 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.131 -16.302 4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.889 -14.652 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.819 -14.428 5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.442 -14.165 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.369 -16.073 7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.921 -17.029 6.149 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.563 -15.667 6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.800 -17.834 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.540 -18.468 9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.028 -16.480 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.642 -17.692 9.389 1.00 0.00 H new ATOM 1266 N THR A 85 -4.979 -12.643 4.417 1.00 0.00 N ATOM 1267 CA THR A 85 -5.230 -11.327 3.860 1.00 0.00 C ATOM 1268 C THR A 85 -3.953 -10.482 3.890 1.00 0.00 C ATOM 1269 O THR A 85 -3.587 -9.941 4.932 1.00 0.00 O ATOM 1270 CB THR A 85 -6.390 -10.699 4.634 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.554 -11.168 3.958 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.452 -9.179 4.467 1.00 0.00 C ATOM 0 H THR A 85 -4.639 -12.642 5.379 1.00 0.00 H new ATOM 0 HA THR A 85 -5.517 -11.391 2.810 1.00 0.00 H new ATOM 0 HB THR A 85 -6.294 -10.945 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.354 -10.809 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.293 -8.784 5.037 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.526 -8.735 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.581 -8.934 3.413 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.311 -10.396 2.735 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.084 -9.629 2.615 1.00 0.00 C ATOM 1282 C TYR A 86 -2.339 -8.293 1.913 1.00 0.00 C ATOM 1283 O TYR A 86 -2.797 -8.265 0.772 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.141 -10.471 1.755 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.767 -11.766 1.229 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.638 -11.726 0.161 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.459 -12.971 1.826 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.227 -12.943 -0.333 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -2.049 -14.188 1.333 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.903 -14.116 0.277 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.459 -15.266 -0.189 1.00 0.00 O ATOM 0 H TYR A 86 -3.618 -10.846 1.873 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.670 -9.413 3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.805 -9.872 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.256 -10.719 2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.878 -10.782 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.776 -13.001 2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.911 -12.926 -1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.818 -15.138 1.792 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.176 -15.414 -1.116 1.00 0.00 H new ATOM 1301 N THR A 87 -2.033 -7.219 2.626 1.00 0.00 N ATOM 1302 CA THR A 87 -2.223 -5.883 2.085 1.00 0.00 C ATOM 1303 C THR A 87 -1.118 -4.947 2.579 1.00 0.00 C ATOM 1304 O THR A 87 -0.799 -4.930 3.766 1.00 0.00 O ATOM 1305 CB THR A 87 -3.629 -5.416 2.463 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.429 -6.590 2.341 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.223 -4.453 1.434 1.00 0.00 C ATOM 0 H THR A 87 -1.655 -7.246 3.573 1.00 0.00 H new ATOM 0 HA THR A 87 -2.146 -5.881 0.998 1.00 0.00 H new ATOM 0 HB THR A 87 -3.600 -4.932 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.358 -6.378 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.222 -4.153 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.588 -3.571 1.352 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.284 -4.948 0.465 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.566 -4.190 1.641 1.00 0.00 N ATOM 1316 CA CYS A 88 0.496 -3.253 1.967 1.00 0.00 C ATOM 1317 C CYS A 88 -0.130 -1.873 2.185 1.00 0.00 C ATOM 1318 O CYS A 88 -0.424 -1.162 1.224 1.00 0.00 O ATOM 1319 CB CYS A 88 1.575 -3.223 0.884 1.00 0.00 C ATOM 1320 SG CYS A 88 0.943 -3.058 -0.827 1.00 0.00 S ATOM 0 H CYS A 88 -0.834 -4.207 0.657 1.00 0.00 H new ATOM 0 HA CYS A 88 0.998 -3.572 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.251 -2.393 1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.164 -4.138 0.952 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.318 -1.537 3.453 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.905 -0.256 3.809 1.00 0.00 C ATOM 1327 C GLN A 89 0.192 0.785 4.039 1.00 0.00 C ATOM 1328 O GLN A 89 0.902 0.731 5.042 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.804 -0.388 5.040 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.590 0.902 5.284 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.632 1.243 6.776 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -1.670 1.718 7.357 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -3.797 0.975 7.360 1.00 0.00 N ATOM 0 H GLN A 89 -0.074 -2.130 4.247 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.528 0.079 2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.496 -1.219 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.197 -0.620 5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.131 1.722 4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.605 0.791 4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.562 0.577 6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.926 1.167 8.353 1.00 0.00 H new ATOM 1342 N VAL A 90 0.298 1.705 3.094 1.00 0.00 N ATOM 1343 CA VAL A 90 1.299 2.758 3.180 1.00 0.00 C ATOM 1344 C VAL A 90 0.638 4.041 3.690 1.00 0.00 C ATOM 1345 O VAL A 90 -0.311 4.538 3.085 1.00 0.00 O ATOM 1346 CB VAL A 90 1.988 2.936 1.828 1.00 0.00 C ATOM 1347 CG1 VAL A 90 1.604 4.272 1.188 1.00 0.00 C ATOM 1348 CG2 VAL A 90 3.508 2.813 1.968 1.00 0.00 C ATOM 0 H VAL A 90 -0.292 1.745 2.263 1.00 0.00 H new ATOM 0 HA VAL A 90 2.079 2.488 3.892 1.00 0.00 H new ATOM 0 HB VAL A 90 1.645 2.138 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.108 4.373 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.525 4.306 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.905 5.089 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.975 2.943 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.874 3.580 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.759 1.828 2.361 1.00 0.00 H new ATOM 1358 N THR A 91 1.168 4.540 4.797 1.00 0.00 N ATOM 1359 CA THR A 91 0.642 5.755 5.395 1.00 0.00 C ATOM 1360 C THR A 91 1.533 6.949 5.046 1.00 0.00 C ATOM 1361 O THR A 91 2.666 6.775 4.602 1.00 0.00 O ATOM 1362 CB THR A 91 0.503 5.522 6.900 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.845 5.090 7.063 1.00 0.00 O ATOM 1364 CG2 THR A 91 0.581 6.820 7.705 1.00 0.00 C ATOM 0 H THR A 91 1.956 4.125 5.295 1.00 0.00 H new ATOM 0 HA THR A 91 -0.344 5.996 4.997 1.00 0.00 H new ATOM 0 HB THR A 91 1.286 4.842 7.235 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.020 4.915 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.477 6.597 8.767 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.543 7.300 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.221 7.489 7.395 1.00 0.00 H new ATOM 1372 N TYR A 92 0.987 8.137 5.260 1.00 0.00 N ATOM 1373 CA TYR A 92 1.717 9.360 4.973 1.00 0.00 C ATOM 1374 C TYR A 92 1.587 10.360 6.126 1.00 0.00 C ATOM 1375 O TYR A 92 0.613 10.324 6.875 1.00 0.00 O ATOM 1376 CB TYR A 92 1.069 9.955 3.722 1.00 0.00 C ATOM 1377 CG TYR A 92 1.074 9.018 2.514 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.403 7.813 2.575 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.747 9.375 1.364 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.407 6.928 1.437 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.749 8.492 0.226 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.080 7.311 0.319 1.00 0.00 C ATOM 1383 OH TYR A 92 1.083 6.477 -0.755 1.00 0.00 O ATOM 0 H TYR A 92 0.047 8.279 5.629 1.00 0.00 H new ATOM 0 HA TYR A 92 2.778 9.150 4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.039 10.228 3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.591 10.875 3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.125 7.533 3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.273 10.317 1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.113 5.982 1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.270 8.761 -0.681 1.00 0.00 H new ATOM 0 HH TYR A 92 1.447 6.948 -1.534 1.00 0.00 H new ATOM 1393 N GLN A 93 2.583 11.227 6.229 1.00 0.00 N ATOM 1394 CA GLN A 93 2.593 12.233 7.277 1.00 0.00 C ATOM 1395 C GLN A 93 1.261 12.986 7.301 1.00 0.00 C ATOM 1396 O GLN A 93 0.890 13.568 8.321 1.00 0.00 O ATOM 1397 CB GLN A 93 3.766 13.200 7.097 1.00 0.00 C ATOM 1398 CG GLN A 93 3.769 13.803 5.692 1.00 0.00 C ATOM 1399 CD GLN A 93 3.192 15.220 5.701 1.00 0.00 C ATOM 1400 OE1 GLN A 93 2.089 15.465 6.165 1.00 0.00 O ATOM 1401 NE2 GLN A 93 3.993 16.135 5.164 1.00 0.00 N ATOM 0 H GLN A 93 3.389 11.254 5.604 1.00 0.00 H new ATOM 0 HA GLN A 93 2.722 11.731 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.702 13.997 7.838 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.705 12.675 7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.787 13.824 5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.185 13.173 5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.903 15.862 4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.697 17.110 5.122 1.00 0.00 H new ATOM 1410 N GLY A 94 0.578 12.951 6.167 1.00 0.00 N ATOM 1411 CA GLY A 94 -0.707 13.622 6.045 1.00 0.00 C ATOM 1412 C GLY A 94 -1.589 12.933 5.003 1.00 0.00 C ATOM 1413 O GLY A 94 -2.359 13.589 4.306 1.00 0.00 O ATOM 0 H GLY A 94 0.889 12.469 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.213 13.624 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.552 14.664 5.764 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.448 11.616 4.934 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.224 10.830 3.991 1.00 0.00 C ATOM 1419 C HIS A 95 -2.147 9.350 4.369 1.00 0.00 C ATOM 1420 O HIS A 95 -1.440 8.982 5.307 1.00 0.00 O ATOM 1421 CB HIS A 95 -1.768 11.099 2.555 1.00 0.00 C ATOM 1422 CG HIS A 95 -2.870 10.987 1.529 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -2.644 10.569 0.230 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -4.207 11.244 1.625 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -3.800 10.578 -0.420 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.767 10.996 0.447 1.00 0.00 N ATOM 0 H HIS A 95 -0.808 11.075 5.516 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.271 11.128 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.337 12.099 2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.975 10.397 2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.722 11.590 2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.950 10.303 -1.454 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.757 11.101 0.226 1.00 0.00 H new ATOM 1434 N THR A 96 -2.884 8.542 3.623 1.00 0.00 N ATOM 1435 CA THR A 96 -2.908 7.109 3.868 1.00 0.00 C ATOM 1436 C THR A 96 -3.382 6.361 2.621 1.00 0.00 C ATOM 1437 O THR A 96 -4.096 6.922 1.791 1.00 0.00 O ATOM 1438 CB THR A 96 -3.783 6.856 5.097 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.615 5.465 5.363 1.00 0.00 O ATOM 1440 CG2 THR A 96 -5.275 6.999 4.793 1.00 0.00 C ATOM 0 H THR A 96 -3.470 8.852 2.848 1.00 0.00 H new ATOM 0 HA THR A 96 -1.909 6.727 4.076 1.00 0.00 H new ATOM 0 HB THR A 96 -3.506 7.552 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.789 5.327 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.851 6.809 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.479 8.009 4.438 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.560 6.280 4.025 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.963 5.107 2.527 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.336 4.276 1.394 1.00 0.00 C ATOM 1450 C PHE A 97 -3.086 2.798 1.694 1.00 0.00 C ATOM 1451 O PHE A 97 -2.321 2.464 2.598 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.453 4.703 0.218 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.239 5.149 -1.018 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -3.896 4.231 -1.773 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -3.278 6.465 -1.359 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -4.624 4.645 -2.920 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -4.005 6.880 -2.506 1.00 0.00 C ATOM 1458 CZ PHE A 97 -4.663 5.960 -3.262 1.00 0.00 C ATOM 0 H PHE A 97 -2.369 4.646 3.217 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.396 4.400 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.807 5.520 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.804 3.872 -0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.865 3.186 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.756 7.194 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.147 3.915 -3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.036 7.925 -2.778 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.217 6.275 -4.134 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.745 1.950 0.917 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.604 0.513 1.089 1.00 0.00 C ATOM 1470 C GLU A 98 -3.971 -0.213 -0.207 1.00 0.00 C ATOM 1471 O GLU A 98 -4.991 0.092 -0.827 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.454 0.015 2.258 1.00 0.00 C ATOM 1473 CG GLU A 98 -4.000 -1.373 2.712 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.811 -1.847 3.919 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -5.513 -2.865 3.834 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -4.693 -1.117 4.976 1.00 0.00 O ATOM 0 H GLU A 98 -4.377 2.230 0.167 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.562 0.294 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.381 0.716 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.502 -0.020 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.113 -2.083 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.941 -1.347 2.968 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.122 -1.160 -0.580 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.344 -1.933 -1.788 1.00 0.00 C ATOM 1486 C ASP A 99 -2.641 -3.284 -1.663 1.00 0.00 C ATOM 1487 O ASP A 99 -1.450 -3.342 -1.359 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.774 -1.215 -3.014 1.00 0.00 C ATOM 1489 CG ASP A 99 -3.711 -0.189 -3.656 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -4.851 0.001 -3.213 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -3.217 0.435 -4.673 1.00 0.00 O ATOM 0 H ASP A 99 -2.278 -1.409 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.419 -2.061 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.851 -0.712 -2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.509 -1.961 -3.763 1.00 0.00 H new ATOM 1497 N SER A 100 -3.407 -4.340 -1.902 1.00 0.00 N ATOM 1498 CA SER A 100 -2.870 -5.687 -1.818 1.00 0.00 C ATOM 1499 C SER A 100 -3.907 -6.693 -2.321 1.00 0.00 C ATOM 1500 O SER A 100 -4.735 -6.367 -3.171 1.00 0.00 O ATOM 1501 CB SER A 100 -2.452 -6.026 -0.386 1.00 0.00 C ATOM 1502 OG SER A 100 -1.373 -6.956 -0.352 1.00 0.00 O ATOM 0 H SER A 100 -4.394 -4.289 -2.153 1.00 0.00 H new ATOM 0 HA SER A 100 -1.982 -5.742 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.160 -5.113 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.305 -6.440 0.152 1.00 0.00 H new ATOM 0 HG SER A 100 -1.729 -7.868 -0.304 1.00 0.00 H new ATOM 1508 N THR A 101 -3.826 -7.900 -1.777 1.00 0.00 N ATOM 1509 CA THR A 101 -4.747 -8.956 -2.159 1.00 0.00 C ATOM 1510 C THR A 101 -5.195 -9.745 -0.926 1.00 0.00 C ATOM 1511 O THR A 101 -4.698 -9.514 0.176 1.00 0.00 O ATOM 1512 CB THR A 101 -4.060 -9.820 -3.219 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.988 -10.876 -3.459 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.817 -10.533 -2.678 1.00 0.00 C ATOM 0 H THR A 101 -3.136 -8.169 -1.075 1.00 0.00 H new ATOM 0 HA THR A 101 -5.660 -8.548 -2.593 1.00 0.00 H new ATOM 0 HB THR A 101 -3.781 -9.198 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.624 -11.484 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.368 -11.132 -3.470 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.096 -9.793 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.101 -11.181 -1.849 1.00 0.00 H new ATOM 1522 N LYS A 102 -6.127 -10.659 -1.157 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.648 -11.483 -0.079 1.00 0.00 C ATOM 1524 C LYS A 102 -7.401 -12.675 -0.672 1.00 0.00 C ATOM 1525 O LYS A 102 -8.413 -12.497 -1.351 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.489 -10.639 0.883 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.607 -9.910 0.136 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.982 -10.410 0.585 1.00 0.00 C ATOM 1529 CE LYS A 102 -10.991 -10.345 -0.564 1.00 0.00 C ATOM 1530 NZ LYS A 102 -11.700 -11.637 -0.704 1.00 0.00 N ATOM 0 H LYS A 102 -6.534 -10.847 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.832 -11.888 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.918 -11.279 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.852 -9.914 1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.530 -8.838 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.493 -10.063 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -9.900 -11.436 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.337 -9.807 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.710 -9.547 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.477 -10.103 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.381 -11.576 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.012 -12.391 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.206 -11.853 0.178 1.00 0.00 H new