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 USER MOD Set 1.2: A 96 THR OG1 : rot 88:sc=0.000725 USER MOD Set 2.1: A 35 TYR OH : rot -19:sc= -8.8! USER MOD Set 2.2: A 39 THR OG1 : rot -19:sc= 0.739 USER MOD Set 2.3: A 60 THR OG1 : rot -58:sc= 0.0703 USER MOD Set 2.4: A 69 THR OG1 : rot 124:sc= 0.338 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= -2! USER MOD Single : A 8 THR OG1 : rot 59:sc= 0.755 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -170:sc= -0.409 USER MOD Single : A 25 THR OG1 : rot -42:sc= 0.356 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -70:sc= -0.208 USER MOD Single : A 41 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.3) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 56 SER OG : rot 150:sc= -2.82! USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 32:sc= -1.12! USER MOD Single : A 62 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.3!) USER MOD Single : A 70 GLN : amide:sc=-0.00229 X(o=-0.0023,f=0) USER MOD Single : A 71 SER OG : rot -166:sc= -1.34 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= -0.222 X(o=-0.22,f=-0.67) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -5.42! C(o=-5.4!,f=-14!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 86 TYR OH : rot 92:sc= -1.35! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.795 USER MOD Single : A 89 GLN : amide:sc=-0.00224 X(o=-0.0022,f=-0.27) USER MOD Single : A 92 TYR OH : rot -157:sc= -1.6! USER MOD Single : A 93 GLN : amide:sc= -4.37! C(o=-4.4!,f=-4.4!) USER MOD Single : A 95 HIS : no HD1:sc= -0.642 X(o=-0.64,f=-0.25) USER MOD Single : A 100 SER OG : rot 140:sc= -1.35! USER MOD Single : A 101 THR OG1 : rot 160:sc= -0.416 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 2.177 8.919 -5.167 1.00 0.00 N ATOM 113 CA THR A 8 1.879 7.800 -6.043 1.00 0.00 C ATOM 114 C THR A 8 2.132 6.474 -5.321 1.00 0.00 C ATOM 115 O THR A 8 3.230 6.235 -4.823 1.00 0.00 O ATOM 116 CB THR A 8 2.710 7.964 -7.317 1.00 0.00 C ATOM 117 OG1 THR A 8 3.550 9.083 -7.043 1.00 0.00 O ATOM 118 CG2 THR A 8 1.867 8.416 -8.511 1.00 0.00 C ATOM 0 HA THR A 8 0.825 7.787 -6.322 1.00 0.00 H new ATOM 0 HB THR A 8 3.200 7.020 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.097 8.896 -6.251 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.505 8.517 -9.389 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.091 7.677 -8.709 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.404 9.377 -8.286 1.00 0.00 H new ATOM 126 N VAL A 9 1.096 5.649 -5.289 1.00 0.00 N ATOM 127 CA VAL A 9 1.191 4.355 -4.637 1.00 0.00 C ATOM 128 C VAL A 9 0.643 3.274 -5.571 1.00 0.00 C ATOM 129 O VAL A 9 -0.385 3.474 -6.219 1.00 0.00 O ATOM 130 CB VAL A 9 0.475 4.396 -3.285 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.044 4.390 -3.469 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.925 3.239 -2.390 1.00 0.00 C ATOM 0 H VAL A 9 0.187 5.852 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 9 2.233 4.108 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 9 0.748 5.327 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.529 4.420 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.344 5.262 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.343 3.484 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.401 3.292 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.696 2.291 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.999 3.308 -2.218 1.00 0.00 H new ATOM 142 N LYS A 10 1.352 2.156 -5.611 1.00 0.00 N ATOM 143 CA LYS A 10 0.947 1.045 -6.457 1.00 0.00 C ATOM 144 C LYS A 10 1.243 -0.271 -5.737 1.00 0.00 C ATOM 145 O LYS A 10 1.976 -0.292 -4.748 1.00 0.00 O ATOM 146 CB LYS A 10 1.602 1.154 -7.835 1.00 0.00 C ATOM 147 CG LYS A 10 0.816 2.101 -8.743 1.00 0.00 C ATOM 148 CD LYS A 10 1.693 2.620 -9.884 1.00 0.00 C ATOM 149 CE LYS A 10 0.836 3.168 -11.029 1.00 0.00 C ATOM 150 NZ LYS A 10 1.490 2.915 -12.332 1.00 0.00 N ATOM 0 H LYS A 10 2.203 1.995 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.127 1.075 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.625 1.514 -7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.658 0.167 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.051 1.582 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.438 2.940 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.354 3.403 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.329 1.816 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.148 2.699 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.681 4.239 -10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.896 3.293 -13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.419 3.383 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.616 1.891 -12.464 1.00 0.00 H new ATOM 164 N ILE A 11 0.660 -1.340 -6.259 1.00 0.00 N ATOM 165 CA ILE A 11 0.853 -2.658 -5.678 1.00 0.00 C ATOM 166 C ILE A 11 1.330 -3.624 -6.765 1.00 0.00 C ATOM 167 O ILE A 11 0.614 -3.879 -7.733 1.00 0.00 O ATOM 168 CB ILE A 11 -0.418 -3.118 -4.962 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.286 -4.568 -4.489 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.651 -2.914 -5.843 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.799 -4.698 -3.418 1.00 0.00 C ATOM 0 H ILE A 11 0.053 -1.320 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 11 1.629 -2.628 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.552 -2.499 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.240 -4.912 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.045 -5.210 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.540 -3.250 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.752 -1.857 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.541 -3.490 -6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.873 -5.738 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.756 -4.376 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.542 -4.073 -2.562 1.00 0.00 H new ATOM 183 N LEU A 12 2.537 -4.136 -6.568 1.00 0.00 N ATOM 184 CA LEU A 12 3.119 -5.067 -7.518 1.00 0.00 C ATOM 185 C LEU A 12 3.248 -6.443 -6.862 1.00 0.00 C ATOM 186 O LEU A 12 3.783 -6.562 -5.761 1.00 0.00 O ATOM 187 CB LEU A 12 4.437 -4.520 -8.068 1.00 0.00 C ATOM 188 CG LEU A 12 4.373 -3.130 -8.703 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.778 -2.600 -9.003 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.484 -3.136 -9.948 1.00 0.00 C ATOM 0 H LEU A 12 3.127 -3.923 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 12 2.467 -5.186 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.164 -4.494 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.816 -5.221 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 12 3.917 -2.447 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.705 -1.610 -9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.348 -2.535 -8.076 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.283 -3.277 -9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.456 -2.136 -10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.887 -3.836 -10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.474 -3.441 -9.673 1.00 0.00 H new ATOM 202 N GLN A 13 2.750 -7.450 -7.566 1.00 0.00 N ATOM 203 CA GLN A 13 2.805 -8.812 -7.066 1.00 0.00 C ATOM 204 C GLN A 13 3.860 -9.617 -7.828 1.00 0.00 C ATOM 205 O GLN A 13 3.982 -9.490 -9.047 1.00 0.00 O ATOM 206 CB GLN A 13 1.433 -9.483 -7.156 1.00 0.00 C ATOM 207 CG GLN A 13 0.398 -8.537 -7.763 1.00 0.00 C ATOM 208 CD GLN A 13 0.496 -8.525 -9.291 1.00 0.00 C ATOM 209 OE1 GLN A 13 1.498 -8.904 -9.876 1.00 0.00 O ATOM 210 NE2 GLN A 13 -0.594 -8.068 -9.901 1.00 0.00 N ATOM 0 H GLN A 13 2.307 -7.349 -8.479 1.00 0.00 H new ATOM 0 HA GLN A 13 3.091 -8.781 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.505 -10.386 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.110 -9.792 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.603 -8.845 -7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.551 -7.529 -7.377 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.398 -7.767 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.626 -8.019 -10.919 1.00 0.00 H new ATOM 219 N SER A 14 4.597 -10.426 -7.080 1.00 0.00 N ATOM 220 CA SER A 14 5.635 -11.251 -7.671 1.00 0.00 C ATOM 221 C SER A 14 5.521 -12.686 -7.155 1.00 0.00 C ATOM 222 O SER A 14 6.353 -13.137 -6.370 1.00 0.00 O ATOM 223 CB SER A 14 7.025 -10.686 -7.365 1.00 0.00 C ATOM 224 OG SER A 14 7.860 -10.671 -8.520 1.00 0.00 O ATOM 0 H SER A 14 4.495 -10.527 -6.070 1.00 0.00 H new ATOM 0 HA SER A 14 5.500 -11.250 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.927 -9.673 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.496 -11.284 -6.585 1.00 0.00 H new ATOM 0 HG SER A 14 8.737 -10.302 -8.285 1.00 0.00 H new ATOM 230 N SER A 15 4.483 -13.368 -7.621 1.00 0.00 N ATOM 231 CA SER A 15 4.248 -14.743 -7.217 1.00 0.00 C ATOM 232 C SER A 15 4.130 -15.638 -8.452 1.00 0.00 C ATOM 233 O SER A 15 4.632 -16.761 -8.460 1.00 0.00 O ATOM 234 CB SER A 15 2.989 -14.857 -6.356 1.00 0.00 C ATOM 235 OG SER A 15 2.915 -16.109 -5.682 1.00 0.00 O ATOM 0 H SER A 15 3.796 -12.992 -8.275 1.00 0.00 H new ATOM 0 HA SER A 15 5.096 -15.073 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.976 -14.050 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.107 -14.731 -6.984 1.00 0.00 H new ATOM 0 HG SER A 15 2.030 -16.208 -5.272 1.00 0.00 H new ATOM 351 N THR A 25 7.750 -18.616 -2.181 1.00 0.00 N ATOM 352 CA THR A 25 7.002 -17.662 -1.376 1.00 0.00 C ATOM 353 C THR A 25 6.348 -16.608 -2.271 1.00 0.00 C ATOM 354 O THR A 25 6.369 -16.728 -3.495 1.00 0.00 O ATOM 355 CB THR A 25 7.955 -17.067 -0.338 1.00 0.00 C ATOM 356 OG1 THR A 25 9.007 -16.503 -1.114 1.00 0.00 O ATOM 357 CG2 THR A 25 8.650 -18.144 0.502 1.00 0.00 C ATOM 0 HA THR A 25 6.184 -18.149 -0.846 1.00 0.00 H new ATOM 0 HB THR A 25 7.403 -16.393 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.243 -17.117 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.315 -17.670 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.901 -18.732 1.032 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.229 -18.797 -0.151 1.00 0.00 H new ATOM 365 N ILE A 26 5.781 -15.598 -1.627 1.00 0.00 N ATOM 366 CA ILE A 26 5.120 -14.527 -2.349 1.00 0.00 C ATOM 367 C ILE A 26 5.952 -13.246 -2.224 1.00 0.00 C ATOM 368 O ILE A 26 6.394 -12.895 -1.133 1.00 0.00 O ATOM 369 CB ILE A 26 3.674 -14.369 -1.875 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.755 -13.973 -3.031 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.584 -13.383 -0.707 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.329 -13.725 -2.538 1.00 0.00 C ATOM 0 H ILE A 26 5.766 -15.500 -0.612 1.00 0.00 H new ATOM 0 HA ILE A 26 5.056 -14.767 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 26 3.329 -15.336 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.138 -13.074 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.751 -14.761 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.546 -13.289 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.186 -13.748 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.956 -12.409 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.696 -13.445 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.940 -14.633 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.333 -12.920 -1.804 1.00 0.00 H new ATOM 384 N GLN A 27 6.134 -12.585 -3.357 1.00 0.00 N ATOM 385 CA GLN A 27 6.903 -11.353 -3.388 1.00 0.00 C ATOM 386 C GLN A 27 6.024 -10.189 -3.849 1.00 0.00 C ATOM 387 O GLN A 27 6.101 -9.765 -5.000 1.00 0.00 O ATOM 388 CB GLN A 27 8.135 -11.496 -4.285 1.00 0.00 C ATOM 389 CG GLN A 27 9.401 -11.699 -3.451 1.00 0.00 C ATOM 390 CD GLN A 27 10.523 -12.310 -4.293 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.832 -13.486 -4.202 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.109 -11.448 -5.118 1.00 0.00 N ATOM 0 H GLN A 27 5.762 -12.879 -4.260 1.00 0.00 H new ATOM 0 HA GLN A 27 7.252 -11.142 -2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.001 -12.341 -4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.243 -10.606 -4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.728 -10.743 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.182 -12.349 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.800 -10.476 -5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.867 -11.758 -5.726 1.00 0.00 H new ATOM 401 N LEU A 28 5.204 -9.708 -2.925 1.00 0.00 N ATOM 402 CA LEU A 28 4.311 -8.602 -3.221 1.00 0.00 C ATOM 403 C LEU A 28 4.953 -7.293 -2.760 1.00 0.00 C ATOM 404 O LEU A 28 5.022 -7.020 -1.563 1.00 0.00 O ATOM 405 CB LEU A 28 2.927 -8.854 -2.616 1.00 0.00 C ATOM 406 CG LEU A 28 2.419 -10.295 -2.683 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.353 -10.549 -1.615 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.917 -10.636 -4.088 1.00 0.00 C ATOM 0 H LEU A 28 5.140 -10.065 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 28 4.154 -8.518 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.947 -8.545 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.208 -8.212 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 28 3.254 -10.962 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.008 -11.581 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.779 -10.374 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.512 -9.874 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.562 -11.666 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.100 -9.965 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.731 -10.520 -4.803 1.00 0.00 H new ATOM 420 N LEU A 29 5.410 -6.519 -3.734 1.00 0.00 N ATOM 421 CA LEU A 29 6.045 -5.245 -3.441 1.00 0.00 C ATOM 422 C LEU A 29 5.195 -4.111 -4.018 1.00 0.00 C ATOM 423 O LEU A 29 4.783 -4.166 -5.174 1.00 0.00 O ATOM 424 CB LEU A 29 7.491 -5.241 -3.941 1.00 0.00 C ATOM 425 CG LEU A 29 7.779 -6.104 -5.171 1.00 0.00 C ATOM 426 CD1 LEU A 29 7.188 -5.475 -6.434 1.00 0.00 C ATOM 427 CD2 LEU A 29 9.279 -6.374 -5.315 1.00 0.00 C ATOM 0 H LEU A 29 5.353 -6.749 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 29 6.101 -5.087 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.772 -4.213 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.136 -5.575 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 29 7.290 -7.068 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.407 -6.109 -7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.108 -5.378 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.627 -4.489 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.455 -6.989 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.810 -5.428 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.641 -6.897 -4.430 1.00 0.00 H new ATOM 439 N CYS A 30 4.956 -3.109 -3.181 1.00 0.00 N ATOM 440 CA CYS A 30 4.161 -1.965 -3.594 1.00 0.00 C ATOM 441 C CYS A 30 5.105 -0.911 -4.175 1.00 0.00 C ATOM 442 O CYS A 30 6.322 -1.014 -4.032 1.00 0.00 O ATOM 443 CB CYS A 30 3.328 -1.411 -2.436 1.00 0.00 C ATOM 444 SG CYS A 30 1.573 -1.932 -2.436 1.00 0.00 S ATOM 0 H CYS A 30 5.299 -3.067 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 30 3.445 -2.270 -4.357 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.785 -1.722 -1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.369 -0.322 -2.465 1.00 0.00 H new ATOM 449 N LEU A 31 4.507 0.081 -4.818 1.00 0.00 N ATOM 450 CA LEU A 31 5.278 1.154 -5.422 1.00 0.00 C ATOM 451 C LEU A 31 4.726 2.502 -4.952 1.00 0.00 C ATOM 452 O LEU A 31 3.738 2.994 -5.495 1.00 0.00 O ATOM 453 CB LEU A 31 5.310 1.000 -6.945 1.00 0.00 C ATOM 454 CG LEU A 31 5.645 2.265 -7.739 1.00 0.00 C ATOM 455 CD1 LEU A 31 4.376 2.911 -8.299 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.462 3.244 -6.895 1.00 0.00 C ATOM 0 H LEU A 31 3.497 0.164 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 31 6.317 1.104 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.041 0.232 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.337 0.635 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 31 6.265 1.980 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.641 3.808 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.870 2.207 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.711 3.179 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.686 4.133 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.890 3.528 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.393 2.769 -6.587 1.00 0.00 H new ATOM 468 N VAL A 32 5.384 3.057 -3.947 1.00 0.00 N ATOM 469 CA VAL A 32 4.971 4.336 -3.397 1.00 0.00 C ATOM 470 C VAL A 32 6.183 5.267 -3.315 1.00 0.00 C ATOM 471 O VAL A 32 7.052 5.086 -2.461 1.00 0.00 O ATOM 472 CB VAL A 32 4.283 4.130 -2.047 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.310 4.055 -0.915 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.254 5.229 -1.781 1.00 0.00 C ATOM 0 H VAL A 32 6.202 2.644 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 32 4.239 4.812 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 32 3.753 3.178 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.795 3.908 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.988 3.220 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.880 4.983 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.780 5.058 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.751 6.199 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.496 5.215 -2.564 1.00 0.00 H new ATOM 484 N SER A 33 6.206 6.243 -4.211 1.00 0.00 N ATOM 485 CA SER A 33 7.297 7.201 -4.249 1.00 0.00 C ATOM 486 C SER A 33 6.784 8.555 -4.745 1.00 0.00 C ATOM 487 O SER A 33 5.595 8.716 -5.007 1.00 0.00 O ATOM 488 CB SER A 33 8.435 6.704 -5.143 1.00 0.00 C ATOM 489 OG SER A 33 7.954 6.181 -6.378 1.00 0.00 O ATOM 0 H SER A 33 5.485 6.391 -4.917 1.00 0.00 H new ATOM 0 HA SER A 33 7.689 7.315 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.125 7.524 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.998 5.933 -4.618 1.00 0.00 H new ATOM 0 HG SER A 33 8.711 5.876 -6.921 1.00 0.00 H new ATOM 495 N GLY A 34 7.712 9.496 -4.857 1.00 0.00 N ATOM 496 CA GLY A 34 7.371 10.830 -5.317 1.00 0.00 C ATOM 497 C GLY A 34 6.770 11.664 -4.182 1.00 0.00 C ATOM 498 O GLY A 34 7.157 12.814 -3.979 1.00 0.00 O ATOM 0 H GLY A 34 8.699 9.360 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.262 11.324 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.660 10.764 -6.141 1.00 0.00 H new ATOM 502 N TYR A 35 5.834 11.049 -3.473 1.00 0.00 N ATOM 503 CA TYR A 35 5.176 11.722 -2.364 1.00 0.00 C ATOM 504 C TYR A 35 6.167 12.016 -1.237 1.00 0.00 C ATOM 505 O TYR A 35 7.121 11.272 -1.033 1.00 0.00 O ATOM 506 CB TYR A 35 4.115 10.746 -1.851 1.00 0.00 C ATOM 507 CG TYR A 35 4.690 9.482 -1.210 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.246 9.540 0.052 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.651 8.281 -1.893 1.00 0.00 C ATOM 510 CE1 TYR A 35 5.788 8.350 0.654 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.191 7.092 -1.289 1.00 0.00 C ATOM 512 CZ TYR A 35 5.733 7.185 -0.043 1.00 0.00 C ATOM 513 OH TYR A 35 6.243 6.060 0.526 1.00 0.00 O ATOM 0 H TYR A 35 5.516 10.095 -3.644 1.00 0.00 H new ATOM 0 HA TYR A 35 4.750 12.672 -2.688 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.488 11.258 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.469 10.459 -2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.274 10.478 0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.215 8.235 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.229 8.383 1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.167 6.147 -1.812 1.00 0.00 H new ATOM 0 HH TYR A 35 6.854 6.308 1.251 1.00 0.00 H new ATOM 523 N THR A 36 5.903 13.108 -0.532 1.00 0.00 N ATOM 524 CA THR A 36 6.760 13.513 0.570 1.00 0.00 C ATOM 525 C THR A 36 8.222 13.561 0.119 1.00 0.00 C ATOM 526 O THR A 36 8.673 12.693 -0.624 1.00 0.00 O ATOM 527 CB THR A 36 6.515 12.553 1.736 1.00 0.00 C ATOM 528 OG1 THR A 36 5.100 12.382 1.752 1.00 0.00 O ATOM 529 CG2 THR A 36 6.830 13.185 3.091 1.00 0.00 C ATOM 0 H THR A 36 5.108 13.724 -0.703 1.00 0.00 H new ATOM 0 HA THR A 36 6.523 14.523 0.906 1.00 0.00 H new ATOM 0 HB THR A 36 7.123 11.658 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.673 13.212 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.639 12.461 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.878 13.485 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.198 14.061 3.240 1.00 0.00 H new ATOM 537 N PRO A 37 8.937 14.614 0.601 1.00 0.00 N ATOM 538 CA PRO A 37 10.338 14.784 0.256 1.00 0.00 C ATOM 539 C PRO A 37 11.216 13.793 1.019 1.00 0.00 C ATOM 540 O PRO A 37 12.382 13.600 0.678 1.00 0.00 O ATOM 541 CB PRO A 37 10.650 16.234 0.593 1.00 0.00 C ATOM 542 CG PRO A 37 9.551 16.688 1.541 1.00 0.00 C ATOM 543 CD PRO A 37 8.433 15.659 1.486 1.00 0.00 C ATOM 0 HA PRO A 37 10.540 14.578 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.631 16.324 1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.668 16.849 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.936 16.779 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.180 17.671 1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.208 15.265 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.512 16.095 1.100 1.00 0.00 H new ATOM 551 N GLY A 38 10.624 13.186 2.039 1.00 0.00 N ATOM 552 CA GLY A 38 11.339 12.218 2.853 1.00 0.00 C ATOM 553 C GLY A 38 10.589 10.886 2.903 1.00 0.00 C ATOM 554 O GLY A 38 11.002 9.964 3.605 1.00 0.00 O ATOM 0 H GLY A 38 9.657 13.347 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.338 12.062 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.464 12.608 3.863 1.00 0.00 H new ATOM 558 N THR A 39 9.499 10.825 2.152 1.00 0.00 N ATOM 559 CA THR A 39 8.688 9.623 2.103 1.00 0.00 C ATOM 560 C THR A 39 7.628 9.649 3.206 1.00 0.00 C ATOM 561 O THR A 39 7.407 10.683 3.836 1.00 0.00 O ATOM 562 CB THR A 39 9.626 8.418 2.191 1.00 0.00 C ATOM 563 OG1 THR A 39 9.109 7.506 1.223 1.00 0.00 O ATOM 564 CG2 THR A 39 9.493 7.666 3.517 1.00 0.00 C ATOM 0 H THR A 39 9.159 11.592 1.571 1.00 0.00 H new ATOM 0 HA THR A 39 8.135 9.556 1.166 1.00 0.00 H new ATOM 0 HB THR A 39 10.656 8.750 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.185 7.748 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.181 6.820 3.526 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.732 8.337 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.471 7.304 3.629 1.00 0.00 H new ATOM 572 N ILE A 40 7.000 8.500 3.406 1.00 0.00 N ATOM 573 CA ILE A 40 5.969 8.377 4.424 1.00 0.00 C ATOM 574 C ILE A 40 6.312 7.215 5.354 1.00 0.00 C ATOM 575 O ILE A 40 7.473 7.022 5.712 1.00 0.00 O ATOM 576 CB ILE A 40 4.589 8.259 3.774 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.508 7.021 2.879 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.227 9.538 3.015 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.452 7.201 1.786 1.00 0.00 C ATOM 0 H ILE A 40 7.185 7.645 2.881 1.00 0.00 H new ATOM 0 HA ILE A 40 5.931 9.276 5.040 1.00 0.00 H new ATOM 0 HB ILE A 40 3.850 8.134 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.480 6.834 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.266 6.147 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.241 9.426 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.216 10.381 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.966 9.719 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.416 6.306 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.477 7.364 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.710 8.061 1.169 1.00 0.00 H new ATOM 591 N ASN A 41 5.281 6.469 5.723 1.00 0.00 N ATOM 592 CA ASN A 41 5.458 5.328 6.607 1.00 0.00 C ATOM 593 C ASN A 41 5.131 4.042 5.846 1.00 0.00 C ATOM 594 O ASN A 41 4.404 4.071 4.855 1.00 0.00 O ATOM 595 CB ASN A 41 4.521 5.417 7.814 1.00 0.00 C ATOM 596 CG ASN A 41 4.841 4.324 8.835 1.00 0.00 C ATOM 597 OD1 ASN A 41 5.980 3.933 9.029 1.00 0.00 O ATOM 598 ND2 ASN A 41 3.775 3.856 9.478 1.00 0.00 N ATOM 0 H ASN A 41 4.319 6.632 5.426 1.00 0.00 H new ATOM 0 HA ASN A 41 6.492 5.326 6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.616 6.397 8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.487 5.321 7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.884 3.126 10.182 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.849 4.227 9.267 1.00 0.00 H new ATOM 605 N ILE A 42 5.684 2.943 6.338 1.00 0.00 N ATOM 606 CA ILE A 42 5.459 1.650 5.716 1.00 0.00 C ATOM 607 C ILE A 42 4.688 0.750 6.686 1.00 0.00 C ATOM 608 O ILE A 42 5.075 0.601 7.843 1.00 0.00 O ATOM 609 CB ILE A 42 6.785 1.047 5.243 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.752 2.142 4.790 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.550 -0.001 4.152 1.00 0.00 C ATOM 612 CD1 ILE A 42 7.152 2.966 3.649 1.00 0.00 C ATOM 0 H ILE A 42 6.287 2.922 7.160 1.00 0.00 H new ATOM 0 HA ILE A 42 4.845 1.758 4.822 1.00 0.00 H new ATOM 0 HB ILE A 42 7.251 0.535 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.987 2.795 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.690 1.692 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.507 -0.415 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.922 -0.801 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.054 0.465 3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.860 3.737 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.941 2.314 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.227 3.434 3.986 1.00 0.00 H new ATOM 624 N THR A 43 3.608 0.175 6.175 1.00 0.00 N ATOM 625 CA THR A 43 2.778 -0.704 6.979 1.00 0.00 C ATOM 626 C THR A 43 2.050 -1.712 6.089 1.00 0.00 C ATOM 627 O THR A 43 1.894 -1.486 4.889 1.00 0.00 O ATOM 628 CB THR A 43 1.833 0.167 7.811 1.00 0.00 C ATOM 629 OG1 THR A 43 2.599 1.334 8.096 1.00 0.00 O ATOM 630 CG2 THR A 43 1.543 -0.434 9.187 1.00 0.00 C ATOM 0 H THR A 43 3.290 0.301 5.214 1.00 0.00 H new ATOM 0 HA THR A 43 3.381 -1.300 7.664 1.00 0.00 H new ATOM 0 HB THR A 43 0.896 0.306 7.271 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.062 1.955 8.632 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.868 0.223 9.736 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.078 -1.413 9.066 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.476 -0.541 9.741 1.00 0.00 H new ATOM 638 N TRP A 44 1.622 -2.802 6.708 1.00 0.00 N ATOM 639 CA TRP A 44 0.914 -3.843 5.987 1.00 0.00 C ATOM 640 C TRP A 44 -0.123 -4.455 6.934 1.00 0.00 C ATOM 641 O TRP A 44 0.200 -4.816 8.064 1.00 0.00 O ATOM 642 CB TRP A 44 1.887 -4.878 5.421 1.00 0.00 C ATOM 643 CG TRP A 44 2.962 -4.285 4.507 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.919 -3.405 4.823 1.00 0.00 C ATOM 645 CD2 TRP A 44 3.149 -4.572 3.104 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.707 -3.101 3.731 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.225 -3.834 2.653 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.436 -5.425 2.246 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.682 -3.875 1.331 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.905 -5.456 0.928 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.986 -4.718 0.457 1.00 0.00 C ATOM 0 H TRP A 44 1.753 -2.986 7.703 1.00 0.00 H new ATOM 0 HA TRP A 44 0.395 -3.427 5.123 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.373 -5.396 6.248 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.323 -5.626 4.864 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.058 -2.985 5.808 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.498 -2.457 3.718 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.592 -6.011 2.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.527 -3.288 1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.392 -6.098 0.227 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.287 -4.795 -0.577 1.00 0.00 H new ATOM 662 N LEU A 45 -1.347 -4.550 6.438 1.00 0.00 N ATOM 663 CA LEU A 45 -2.432 -5.112 7.225 1.00 0.00 C ATOM 664 C LEU A 45 -2.613 -6.586 6.863 1.00 0.00 C ATOM 665 O LEU A 45 -3.028 -6.908 5.751 1.00 0.00 O ATOM 666 CB LEU A 45 -3.704 -4.276 7.058 1.00 0.00 C ATOM 667 CG LEU A 45 -4.403 -3.849 8.349 1.00 0.00 C ATOM 668 CD1 LEU A 45 -5.668 -3.041 8.047 1.00 0.00 C ATOM 669 CD2 LEU A 45 -4.695 -5.060 9.239 1.00 0.00 C ATOM 0 H LEU A 45 -1.612 -4.247 5.501 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.190 -5.074 8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.453 -3.379 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.412 -4.846 6.457 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.729 -3.196 8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.146 -2.750 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.403 -2.148 7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.357 -3.649 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.192 -4.730 10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.341 -5.757 8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.759 -5.557 9.496 1.00 0.00 H new ATOM 681 N GLU A 46 -2.289 -7.442 7.820 1.00 0.00 N ATOM 682 CA GLU A 46 -2.410 -8.874 7.615 1.00 0.00 C ATOM 683 C GLU A 46 -3.673 -9.405 8.298 1.00 0.00 C ATOM 684 O GLU A 46 -4.037 -8.945 9.378 1.00 0.00 O ATOM 685 CB GLU A 46 -1.165 -9.608 8.117 1.00 0.00 C ATOM 686 CG GLU A 46 -1.432 -11.108 8.263 1.00 0.00 C ATOM 687 CD GLU A 46 -2.177 -11.408 9.565 1.00 0.00 C ATOM 688 OE1 GLU A 46 -2.470 -10.485 10.339 1.00 0.00 O ATOM 689 OE2 GLU A 46 -2.456 -12.653 9.759 1.00 0.00 O ATOM 0 H GLU A 46 -1.943 -7.171 8.740 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.494 -9.061 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.340 -9.448 7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.858 -9.195 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.018 -11.461 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.488 -11.652 8.246 1.00 0.00 H new ATOM 697 N ASP A 47 -4.304 -10.366 7.639 1.00 0.00 N ATOM 698 CA ASP A 47 -5.518 -10.964 8.169 1.00 0.00 C ATOM 699 C ASP A 47 -5.460 -12.480 7.978 1.00 0.00 C ATOM 700 O ASP A 47 -5.858 -12.992 6.932 1.00 0.00 O ATOM 701 CB ASP A 47 -6.754 -10.440 7.437 1.00 0.00 C ATOM 702 CG ASP A 47 -7.702 -9.595 8.290 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.266 -8.713 9.044 1.00 0.00 O ATOM 704 OD2 ASP A 47 -8.954 -9.877 8.159 1.00 0.00 O ATOM 0 H ASP A 47 -3.998 -10.745 6.743 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.589 -10.705 9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.427 -9.844 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.308 -11.289 7.038 1.00 0.00 H new ATOM 796 N ASP A 54 6.404 -14.344 7.975 1.00 0.00 N ATOM 797 CA ASP A 54 6.265 -13.591 6.740 1.00 0.00 C ATOM 798 C ASP A 54 5.849 -12.158 7.064 1.00 0.00 C ATOM 799 O ASP A 54 4.867 -11.936 7.772 1.00 0.00 O ATOM 800 CB ASP A 54 5.189 -14.204 5.840 1.00 0.00 C ATOM 801 CG ASP A 54 3.803 -14.322 6.478 1.00 0.00 C ATOM 802 OD1 ASP A 54 3.406 -15.398 6.948 1.00 0.00 O ATOM 803 OD2 ASP A 54 3.109 -13.234 6.480 1.00 0.00 O ATOM 0 HA ASP A 54 7.224 -13.613 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.106 -13.601 4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.517 -15.197 5.532 1.00 0.00 H new ATOM 809 N LEU A 55 6.616 -11.217 6.532 1.00 0.00 N ATOM 810 CA LEU A 55 6.339 -9.808 6.757 1.00 0.00 C ATOM 811 C LEU A 55 6.623 -9.026 5.473 1.00 0.00 C ATOM 812 O LEU A 55 7.312 -9.520 4.581 1.00 0.00 O ATOM 813 CB LEU A 55 7.113 -9.298 7.973 1.00 0.00 C ATOM 814 CG LEU A 55 8.199 -8.259 7.689 1.00 0.00 C ATOM 815 CD1 LEU A 55 9.143 -8.740 6.584 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.585 -6.895 7.365 1.00 0.00 C ATOM 0 H LEU A 55 7.430 -11.403 5.945 1.00 0.00 H new ATOM 0 HA LEU A 55 5.286 -9.659 6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.401 -8.867 8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.575 -10.152 8.469 1.00 0.00 H new ATOM 0 HG LEU A 55 8.796 -8.135 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.906 -7.983 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.621 -9.669 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.575 -8.911 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.380 -6.176 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.948 -6.983 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.989 -6.554 8.212 1.00 0.00 H new ATOM 828 N SER A 56 6.082 -7.818 5.421 1.00 0.00 N ATOM 829 CA SER A 56 6.270 -6.962 4.262 1.00 0.00 C ATOM 830 C SER A 56 6.830 -5.606 4.698 1.00 0.00 C ATOM 831 O SER A 56 6.274 -4.957 5.582 1.00 0.00 O ATOM 832 CB SER A 56 4.957 -6.775 3.498 1.00 0.00 C ATOM 833 OG SER A 56 3.840 -6.664 4.374 1.00 0.00 O ATOM 0 H SER A 56 5.513 -7.411 6.163 1.00 0.00 H new ATOM 0 HA SER A 56 6.983 -7.443 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.022 -5.880 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.807 -7.618 2.824 1.00 0.00 H new ATOM 0 HG SER A 56 3.155 -6.097 3.961 1.00 0.00 H new ATOM 839 N THR A 57 7.922 -5.220 4.055 1.00 0.00 N ATOM 840 CA THR A 57 8.563 -3.954 4.364 1.00 0.00 C ATOM 841 C THR A 57 8.838 -3.168 3.082 1.00 0.00 C ATOM 842 O THR A 57 8.809 -3.728 1.988 1.00 0.00 O ATOM 843 CB THR A 57 9.823 -4.249 5.180 1.00 0.00 C ATOM 844 OG1 THR A 57 9.687 -5.619 5.548 1.00 0.00 O ATOM 845 CG2 THR A 57 9.845 -3.504 6.517 1.00 0.00 C ATOM 0 H THR A 57 8.379 -5.762 3.321 1.00 0.00 H new ATOM 0 HA THR A 57 7.913 -3.317 4.963 1.00 0.00 H new ATOM 0 HB THR A 57 10.703 -3.975 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.464 -5.894 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.761 -3.749 7.055 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.807 -2.430 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.983 -3.802 7.114 1.00 0.00 H new ATOM 853 N ALA A 58 9.105 -1.882 3.260 1.00 0.00 N ATOM 854 CA ALA A 58 9.388 -1.013 2.128 1.00 0.00 C ATOM 855 C ALA A 58 10.658 -0.209 2.413 1.00 0.00 C ATOM 856 O ALA A 58 10.971 0.077 3.568 1.00 0.00 O ATOM 857 CB ALA A 58 8.177 -0.117 1.860 1.00 0.00 C ATOM 0 H ALA A 58 9.131 -1.421 4.169 1.00 0.00 H new ATOM 0 HA ALA A 58 9.566 -1.600 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.387 0.535 1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.309 -0.736 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.971 0.490 2.742 1.00 0.00 H new ATOM 863 N SER A 59 11.355 0.136 1.342 1.00 0.00 N ATOM 864 CA SER A 59 12.584 0.901 1.460 1.00 0.00 C ATOM 865 C SER A 59 12.335 2.356 1.056 1.00 0.00 C ATOM 866 O SER A 59 11.445 2.637 0.258 1.00 0.00 O ATOM 867 CB SER A 59 13.696 0.294 0.605 1.00 0.00 C ATOM 868 OG SER A 59 14.991 0.630 1.097 1.00 0.00 O ATOM 0 H SER A 59 11.091 -0.101 0.386 1.00 0.00 H new ATOM 0 HA SER A 59 12.908 0.870 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.586 -0.790 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.596 0.645 -0.422 1.00 0.00 H new ATOM 0 HG SER A 59 15.674 0.222 0.525 1.00 0.00 H new ATOM 874 N THR A 60 13.141 3.240 1.627 1.00 0.00 N ATOM 875 CA THR A 60 13.019 4.659 1.336 1.00 0.00 C ATOM 876 C THR A 60 14.195 5.130 0.478 1.00 0.00 C ATOM 877 O THR A 60 15.323 4.678 0.665 1.00 0.00 O ATOM 878 CB THR A 60 12.899 5.407 2.664 1.00 0.00 C ATOM 879 OG1 THR A 60 11.871 4.711 3.363 1.00 0.00 O ATOM 880 CG2 THR A 60 12.342 6.821 2.492 1.00 0.00 C ATOM 0 H THR A 60 13.880 3.002 2.289 1.00 0.00 H new ATOM 0 HA THR A 60 12.124 4.866 0.749 1.00 0.00 H new ATOM 0 HB THR A 60 13.878 5.459 3.141 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.049 4.719 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.277 7.307 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.002 7.396 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.349 6.769 2.046 1.00 0.00 H new ATOM 888 N THR A 61 13.889 6.029 -0.446 1.00 0.00 N ATOM 889 CA THR A 61 14.908 6.566 -1.333 1.00 0.00 C ATOM 890 C THR A 61 14.664 8.054 -1.587 1.00 0.00 C ATOM 891 O THR A 61 13.536 8.532 -1.460 1.00 0.00 O ATOM 892 CB THR A 61 14.913 5.724 -2.611 1.00 0.00 C ATOM 893 OG1 THR A 61 13.576 5.238 -2.711 1.00 0.00 O ATOM 894 CG2 THR A 61 15.761 4.458 -2.475 1.00 0.00 C ATOM 0 H THR A 61 12.951 6.399 -0.600 1.00 0.00 H new ATOM 0 HA THR A 61 15.898 6.504 -0.881 1.00 0.00 H new ATOM 0 HB THR A 61 15.288 6.324 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.958 5.902 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.730 3.897 -3.409 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.792 4.733 -2.250 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.366 3.841 -1.668 1.00 0.00 H new ATOM 902 N GLN A 62 15.736 8.747 -1.941 1.00 0.00 N ATOM 903 CA GLN A 62 15.652 10.171 -2.215 1.00 0.00 C ATOM 904 C GLN A 62 15.593 10.420 -3.722 1.00 0.00 C ATOM 905 O GLN A 62 16.440 9.932 -4.469 1.00 0.00 O ATOM 906 CB GLN A 62 16.825 10.921 -1.580 1.00 0.00 C ATOM 907 CG GLN A 62 16.328 12.012 -0.631 1.00 0.00 C ATOM 908 CD GLN A 62 16.779 11.735 0.806 1.00 0.00 C ATOM 909 OE1 GLN A 62 17.210 10.649 1.150 1.00 0.00 O ATOM 910 NE2 GLN A 62 16.657 12.780 1.621 1.00 0.00 N ATOM 0 H GLN A 62 16.669 8.348 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 62 14.734 10.553 -1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.457 10.220 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.442 11.366 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.707 12.981 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.240 12.066 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.288 13.662 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.933 12.698 2.600 1.00 0.00 H new ATOM 919 N GLU A 63 14.587 11.179 -4.127 1.00 0.00 N ATOM 920 CA GLU A 63 14.406 11.498 -5.532 1.00 0.00 C ATOM 921 C GLU A 63 14.317 13.013 -5.727 1.00 0.00 C ATOM 922 O GLU A 63 13.297 13.524 -6.191 1.00 0.00 O ATOM 923 CB GLU A 63 13.169 10.800 -6.101 1.00 0.00 C ATOM 924 CG GLU A 63 13.520 9.407 -6.631 1.00 0.00 C ATOM 925 CD GLU A 63 13.701 9.430 -8.150 1.00 0.00 C ATOM 926 OE1 GLU A 63 13.052 10.231 -8.840 1.00 0.00 O ATOM 927 OE2 GLU A 63 14.550 8.576 -8.611 1.00 0.00 O ATOM 0 H GLU A 63 13.887 11.583 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 63 15.274 11.130 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.406 10.717 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.744 11.402 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.436 9.053 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.731 8.703 -6.365 1.00 0.00 H new ATOM 935 N GLY A 64 15.395 13.690 -5.358 1.00 0.00 N ATOM 936 CA GLY A 64 15.450 15.136 -5.484 1.00 0.00 C ATOM 937 C GLY A 64 14.596 15.814 -4.411 1.00 0.00 C ATOM 938 O GLY A 64 14.982 15.862 -3.245 1.00 0.00 O ATOM 0 H GLY A 64 16.237 13.263 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.483 15.473 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.100 15.432 -6.473 1.00 0.00 H new ATOM 942 N GLU A 65 13.451 16.321 -4.846 1.00 0.00 N ATOM 943 CA GLU A 65 12.539 16.995 -3.938 1.00 0.00 C ATOM 944 C GLU A 65 11.390 16.060 -3.550 1.00 0.00 C ATOM 945 O GLU A 65 10.503 16.443 -2.788 1.00 0.00 O ATOM 946 CB GLU A 65 12.009 18.289 -4.554 1.00 0.00 C ATOM 947 CG GLU A 65 11.206 19.096 -3.529 1.00 0.00 C ATOM 948 CD GLU A 65 9.772 19.323 -4.009 1.00 0.00 C ATOM 949 OE1 GLU A 65 8.831 18.754 -3.438 1.00 0.00 O ATOM 950 OE2 GLU A 65 9.654 20.123 -5.014 1.00 0.00 O ATOM 0 H GLU A 65 13.135 16.278 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 65 13.087 17.261 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.842 18.888 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.379 18.056 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.194 18.569 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.692 20.057 -3.357 1.00 0.00 H new ATOM 958 N LEU A 66 11.446 14.851 -4.092 1.00 0.00 N ATOM 959 CA LEU A 66 10.420 13.861 -3.813 1.00 0.00 C ATOM 960 C LEU A 66 11.023 12.733 -2.973 1.00 0.00 C ATOM 961 O LEU A 66 12.220 12.735 -2.691 1.00 0.00 O ATOM 962 CB LEU A 66 9.771 13.380 -5.113 1.00 0.00 C ATOM 963 CG LEU A 66 8.996 14.436 -5.905 1.00 0.00 C ATOM 964 CD1 LEU A 66 9.940 15.286 -6.755 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.891 13.789 -6.746 1.00 0.00 C ATOM 0 H LEU A 66 12.184 14.536 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 66 9.614 14.302 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.551 12.972 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.092 12.561 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 66 8.510 15.107 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.364 16.028 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.657 15.791 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.474 14.645 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.355 14.561 -7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.334 13.082 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.196 13.263 -6.091 1.00 0.00 H new ATOM 977 N ALA A 67 10.165 11.794 -2.597 1.00 0.00 N ATOM 978 CA ALA A 67 10.598 10.664 -1.796 1.00 0.00 C ATOM 979 C ALA A 67 10.036 9.373 -2.396 1.00 0.00 C ATOM 980 O ALA A 67 8.823 9.220 -2.522 1.00 0.00 O ATOM 981 CB ALA A 67 10.161 10.869 -0.343 1.00 0.00 C ATOM 0 H ALA A 67 9.173 11.794 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 67 11.685 10.585 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.486 10.020 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.610 11.783 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.075 10.950 -0.298 1.00 0.00 H new ATOM 987 N SER A 68 10.946 8.478 -2.750 1.00 0.00 N ATOM 988 CA SER A 68 10.557 7.207 -3.335 1.00 0.00 C ATOM 989 C SER A 68 10.682 6.093 -2.295 1.00 0.00 C ATOM 990 O SER A 68 11.767 5.847 -1.769 1.00 0.00 O ATOM 991 CB SER A 68 11.409 6.884 -4.565 1.00 0.00 C ATOM 992 OG SER A 68 11.019 5.655 -5.175 1.00 0.00 O ATOM 0 H SER A 68 11.952 8.608 -2.643 1.00 0.00 H new ATOM 0 HA SER A 68 9.518 7.281 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.321 7.693 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.458 6.828 -4.275 1.00 0.00 H new ATOM 0 HG SER A 68 11.584 5.484 -5.957 1.00 0.00 H new ATOM 998 N THR A 69 9.555 5.448 -2.028 1.00 0.00 N ATOM 999 CA THR A 69 9.525 4.365 -1.060 1.00 0.00 C ATOM 1000 C THR A 69 8.965 3.093 -1.698 1.00 0.00 C ATOM 1001 O THR A 69 7.783 3.033 -2.038 1.00 0.00 O ATOM 1002 CB THR A 69 8.723 4.839 0.156 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.718 5.243 1.092 1.00 0.00 O ATOM 1004 CG2 THR A 69 7.992 3.693 0.857 1.00 0.00 C ATOM 0 H THR A 69 8.657 5.655 -2.465 1.00 0.00 H new ATOM 0 HA THR A 69 10.530 4.107 -0.725 1.00 0.00 H new ATOM 0 HB THR A 69 8.000 5.592 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.563 6.175 1.352 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.439 4.083 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.298 3.223 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.717 2.955 1.200 1.00 0.00 H new ATOM 1012 N GLN A 70 9.837 2.107 -1.842 1.00 0.00 N ATOM 1013 CA GLN A 70 9.443 0.840 -2.436 1.00 0.00 C ATOM 1014 C GLN A 70 9.025 -0.149 -1.346 1.00 0.00 C ATOM 1015 O GLN A 70 9.775 -0.389 -0.398 1.00 0.00 O ATOM 1016 CB GLN A 70 10.572 0.263 -3.294 1.00 0.00 C ATOM 1017 CG GLN A 70 10.009 -0.470 -4.515 1.00 0.00 C ATOM 1018 CD GLN A 70 11.078 -1.356 -5.161 1.00 0.00 C ATOM 1019 OE1 GLN A 70 12.192 -0.934 -5.424 1.00 0.00 O ATOM 1020 NE2 GLN A 70 10.677 -2.599 -5.400 1.00 0.00 N ATOM 0 H GLN A 70 10.815 2.159 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 70 8.588 1.017 -3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.234 1.066 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.173 -0.423 -2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.157 -1.080 -4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.643 0.255 -5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.729 -2.885 -5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.317 -3.268 -5.829 1.00 0.00 H new ATOM 1029 N SER A 71 7.829 -0.694 -1.513 1.00 0.00 N ATOM 1030 CA SER A 71 7.302 -1.650 -0.555 1.00 0.00 C ATOM 1031 C SER A 71 7.469 -3.073 -1.091 1.00 0.00 C ATOM 1032 O SER A 71 7.386 -3.301 -2.296 1.00 0.00 O ATOM 1033 CB SER A 71 5.829 -1.368 -0.248 1.00 0.00 C ATOM 1034 OG SER A 71 5.354 -0.214 -0.933 1.00 0.00 O ATOM 0 H SER A 71 7.210 -0.491 -2.298 1.00 0.00 H new ATOM 0 HA SER A 71 7.864 -1.549 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.228 -2.232 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.702 -1.230 0.826 1.00 0.00 H new ATOM 0 HG SER A 71 4.495 0.063 -0.551 1.00 0.00 H new ATOM 1040 N GLU A 72 7.702 -3.997 -0.169 1.00 0.00 N ATOM 1041 CA GLU A 72 7.882 -5.391 -0.533 1.00 0.00 C ATOM 1042 C GLU A 72 7.202 -6.300 0.494 1.00 0.00 C ATOM 1043 O GLU A 72 7.033 -5.919 1.651 1.00 0.00 O ATOM 1044 CB GLU A 72 9.366 -5.736 -0.671 1.00 0.00 C ATOM 1045 CG GLU A 72 10.213 -4.467 -0.797 1.00 0.00 C ATOM 1046 CD GLU A 72 11.653 -4.806 -1.190 1.00 0.00 C ATOM 1047 OE1 GLU A 72 11.872 -5.681 -2.042 1.00 0.00 O ATOM 1048 OE2 GLU A 72 12.561 -4.125 -0.580 1.00 0.00 O ATOM 0 H GLU A 72 7.770 -3.806 0.831 1.00 0.00 H new ATOM 0 HA GLU A 72 7.413 -5.555 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.692 -6.311 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.517 -6.367 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.774 -3.805 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.208 -3.927 0.150 1.00 0.00 H new ATOM 1056 N LEU A 73 6.829 -7.485 0.033 1.00 0.00 N ATOM 1057 CA LEU A 73 6.172 -8.451 0.896 1.00 0.00 C ATOM 1058 C LEU A 73 6.750 -9.842 0.631 1.00 0.00 C ATOM 1059 O LEU A 73 6.922 -10.238 -0.521 1.00 0.00 O ATOM 1060 CB LEU A 73 4.652 -8.373 0.726 1.00 0.00 C ATOM 1061 CG LEU A 73 3.834 -9.355 1.567 1.00 0.00 C ATOM 1062 CD1 LEU A 73 2.497 -8.738 1.983 1.00 0.00 C ATOM 1063 CD2 LEU A 73 3.648 -10.684 0.830 1.00 0.00 C ATOM 0 H LEU A 73 6.970 -7.798 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 73 6.365 -8.220 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.330 -7.360 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.414 -8.539 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 73 4.388 -9.568 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.935 -9.456 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.679 -7.840 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.924 -8.478 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.063 -11.365 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.125 -10.509 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.623 -11.126 0.626 1.00 0.00 H new ATOM 1075 N THR A 74 7.034 -10.547 1.717 1.00 0.00 N ATOM 1076 CA THR A 74 7.587 -11.886 1.616 1.00 0.00 C ATOM 1077 C THR A 74 6.853 -12.839 2.557 1.00 0.00 C ATOM 1078 O THR A 74 6.921 -12.691 3.776 1.00 0.00 O ATOM 1079 CB THR A 74 9.090 -11.797 1.892 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.314 -10.413 2.152 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.934 -12.085 0.650 1.00 0.00 C ATOM 0 H THR A 74 6.891 -10.215 2.671 1.00 0.00 H new ATOM 0 HA THR A 74 7.448 -12.297 0.616 1.00 0.00 H new ATOM 0 HB THR A 74 9.355 -12.501 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.264 -10.266 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.991 -12.008 0.903 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.719 -13.091 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.694 -11.361 -0.129 1.00 0.00 H new ATOM 1089 N LEU A 75 6.165 -13.800 1.956 1.00 0.00 N ATOM 1090 CA LEU A 75 5.416 -14.780 2.725 1.00 0.00 C ATOM 1091 C LEU A 75 5.470 -16.132 2.012 1.00 0.00 C ATOM 1092 O LEU A 75 5.338 -16.200 0.791 1.00 0.00 O ATOM 1093 CB LEU A 75 3.994 -14.280 2.989 1.00 0.00 C ATOM 1094 CG LEU A 75 2.907 -14.832 2.067 1.00 0.00 C ATOM 1095 CD1 LEU A 75 2.451 -16.220 2.523 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.736 -13.854 1.953 1.00 0.00 C ATOM 0 H LEU A 75 6.111 -13.921 0.945 1.00 0.00 H new ATOM 0 HA LEU A 75 5.868 -14.920 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.729 -14.525 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.992 -13.193 2.910 1.00 0.00 H new ATOM 0 HG LEU A 75 3.332 -14.945 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.677 -16.588 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.299 -16.904 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.051 -16.157 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.977 -14.271 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.305 -13.686 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.091 -12.907 1.546 1.00 0.00 H new ATOM 1108 N SER A 76 5.667 -17.176 2.805 1.00 0.00 N ATOM 1109 CA SER A 76 5.738 -18.523 2.264 1.00 0.00 C ATOM 1110 C SER A 76 4.387 -18.921 1.669 1.00 0.00 C ATOM 1111 O SER A 76 3.341 -18.648 2.257 1.00 0.00 O ATOM 1112 CB SER A 76 6.163 -19.525 3.339 1.00 0.00 C ATOM 1113 OG SER A 76 7.530 -19.366 3.709 1.00 0.00 O ATOM 0 H SER A 76 5.780 -17.116 3.817 1.00 0.00 H new ATOM 0 HA SER A 76 6.491 -18.536 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.533 -19.401 4.220 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.003 -20.539 2.973 1.00 0.00 H new ATOM 0 HG SER A 76 7.761 -20.023 4.398 1.00 0.00 H new ATOM 1119 N GLN A 77 4.451 -19.563 0.511 1.00 0.00 N ATOM 1120 CA GLN A 77 3.245 -20.000 -0.171 1.00 0.00 C ATOM 1121 C GLN A 77 2.383 -20.845 0.771 1.00 0.00 C ATOM 1122 O GLN A 77 1.162 -20.890 0.628 1.00 0.00 O ATOM 1123 CB GLN A 77 3.584 -20.775 -1.443 1.00 0.00 C ATOM 1124 CG GLN A 77 3.363 -19.909 -2.687 1.00 0.00 C ATOM 1125 CD GLN A 77 1.872 -19.648 -2.912 1.00 0.00 C ATOM 1126 OE1 GLN A 77 1.030 -20.511 -2.736 1.00 0.00 O ATOM 1127 NE2 GLN A 77 1.596 -18.410 -3.313 1.00 0.00 N ATOM 0 H GLN A 77 5.320 -19.791 0.028 1.00 0.00 H new ATOM 0 HA GLN A 77 2.676 -19.118 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.622 -21.107 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.965 -21.670 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.889 -18.961 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.785 -20.406 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.350 -17.735 -3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.630 -18.135 -3.492 1.00 0.00 H new ATOM 1136 N LYS A 78 3.052 -21.495 1.712 1.00 0.00 N ATOM 1137 CA LYS A 78 2.362 -22.337 2.675 1.00 0.00 C ATOM 1138 C LYS A 78 1.272 -21.519 3.372 1.00 0.00 C ATOM 1139 O LYS A 78 0.107 -21.908 3.373 1.00 0.00 O ATOM 1140 CB LYS A 78 3.362 -22.976 3.641 1.00 0.00 C ATOM 1141 CG LYS A 78 3.434 -24.489 3.430 1.00 0.00 C ATOM 1142 CD LYS A 78 4.221 -25.162 4.559 1.00 0.00 C ATOM 1143 CE LYS A 78 4.187 -26.685 4.417 1.00 0.00 C ATOM 1144 NZ LYS A 78 5.534 -27.255 4.638 1.00 0.00 N ATOM 0 H LYS A 78 4.065 -21.456 1.828 1.00 0.00 H new ATOM 0 HA LYS A 78 1.866 -23.166 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.348 -22.537 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.069 -22.762 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.426 -24.903 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.908 -24.704 2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.254 -24.815 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.801 -24.873 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.484 -27.108 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.829 -26.956 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.494 -28.289 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.195 -26.865 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.861 -27.012 5.595 1.00 0.00 H new ATOM 1158 N HIS A 79 1.692 -20.400 3.944 1.00 0.00 N ATOM 1159 CA HIS A 79 0.765 -19.523 4.643 1.00 0.00 C ATOM 1160 C HIS A 79 -0.351 -19.092 3.688 1.00 0.00 C ATOM 1161 O HIS A 79 -1.507 -18.980 4.092 1.00 0.00 O ATOM 1162 CB HIS A 79 1.505 -18.338 5.266 1.00 0.00 C ATOM 1163 CG HIS A 79 1.005 -17.956 6.639 1.00 0.00 C ATOM 1164 ND1 HIS A 79 1.197 -16.697 7.183 1.00 0.00 N ATOM 1165 CD2 HIS A 79 0.320 -18.678 7.570 1.00 0.00 C ATOM 1166 CE1 HIS A 79 0.648 -16.674 8.387 1.00 0.00 C ATOM 1167 NE2 HIS A 79 0.106 -17.903 8.628 1.00 0.00 N ATOM 0 H HIS A 79 2.660 -20.080 3.938 1.00 0.00 H new ATOM 0 HA HIS A 79 0.300 -20.061 5.469 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.566 -18.579 5.331 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.413 -17.477 4.604 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.680 -15.920 6.732 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.005 -19.706 7.466 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.632 -15.830 9.061 1.00 0.00 H new ATOM 1175 N TRP A 80 0.036 -18.862 2.443 1.00 0.00 N ATOM 1176 CA TRP A 80 -0.917 -18.446 1.428 1.00 0.00 C ATOM 1177 C TRP A 80 -1.976 -19.542 1.294 1.00 0.00 C ATOM 1178 O TRP A 80 -3.156 -19.252 1.103 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.210 -18.132 0.107 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.152 -17.679 -1.008 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -1.950 -18.436 -1.777 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.366 -16.323 -1.456 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.657 -17.670 -2.681 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.291 -16.346 -2.480 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.797 -15.116 -1.010 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.728 -15.192 -3.142 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.244 -13.973 -1.682 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.174 -13.980 -2.715 1.00 0.00 C ATOM 0 H TRP A 80 0.997 -18.956 2.113 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.411 -17.520 1.721 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.533 -17.353 0.280 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.329 -19.019 -0.225 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.029 -19.510 -1.698 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.326 -18.013 -3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.072 -15.075 -0.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.454 -15.235 -3.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.838 -13.020 -1.377 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.468 -13.054 -3.186 1.00 0.00 H new ATOM 1199 N LEU A 81 -1.515 -20.780 1.403 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.408 -21.922 1.297 1.00 0.00 C ATOM 1201 C LEU A 81 -3.333 -21.956 2.515 1.00 0.00 C ATOM 1202 O LEU A 81 -4.480 -22.388 2.415 1.00 0.00 O ATOM 1203 CB LEU A 81 -1.607 -23.210 1.098 1.00 0.00 C ATOM 1204 CG LEU A 81 -1.759 -23.891 -0.264 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -0.401 -24.347 -0.804 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -2.764 -25.043 -0.193 1.00 0.00 C ATOM 0 H LEU A 81 -0.536 -21.017 1.563 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.043 -21.828 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.552 -22.986 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.900 -23.920 1.872 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.157 -23.160 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.537 -24.828 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.254 -23.483 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.048 -25.055 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.853 -25.509 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.420 -25.782 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.736 -24.659 0.116 1.00 0.00 H new ATOM 1218 N SER A 82 -2.800 -21.493 3.638 1.00 0.00 N ATOM 1219 CA SER A 82 -3.564 -21.464 4.872 1.00 0.00 C ATOM 1220 C SER A 82 -4.554 -20.298 4.847 1.00 0.00 C ATOM 1221 O SER A 82 -5.238 -20.038 5.838 1.00 0.00 O ATOM 1222 CB SER A 82 -2.642 -21.351 6.086 1.00 0.00 C ATOM 1223 OG SER A 82 -2.727 -22.498 6.931 1.00 0.00 O ATOM 0 H SER A 82 -1.848 -21.135 3.717 1.00 0.00 H new ATOM 0 HA SER A 82 -4.117 -22.400 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.613 -21.224 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.902 -20.460 6.657 1.00 0.00 H new ATOM 0 HG SER A 82 -2.122 -22.388 7.694 1.00 0.00 H new ATOM 1229 N ASP A 83 -4.603 -19.628 3.706 1.00 0.00 N ATOM 1230 CA ASP A 83 -5.499 -18.496 3.541 1.00 0.00 C ATOM 1231 C ASP A 83 -5.000 -17.328 4.392 1.00 0.00 C ATOM 1232 O ASP A 83 -4.438 -17.534 5.467 1.00 0.00 O ATOM 1233 CB ASP A 83 -6.917 -18.844 3.997 1.00 0.00 C ATOM 1234 CG ASP A 83 -7.581 -19.990 3.232 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -6.955 -20.633 2.375 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -8.808 -20.221 3.553 1.00 0.00 O ATOM 0 H ASP A 83 -4.037 -19.847 2.886 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.516 -18.231 2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.889 -19.103 5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.541 -17.955 3.903 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.225 -16.126 3.880 1.00 0.00 N ATOM 1243 CA ARG A 84 -4.804 -14.924 4.582 1.00 0.00 C ATOM 1244 C ARG A 84 -5.130 -13.683 3.748 1.00 0.00 C ATOM 1245 O ARG A 84 -5.587 -13.795 2.612 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.303 -14.953 4.875 1.00 0.00 C ATOM 1247 CG ARG A 84 -2.953 -14.020 6.036 1.00 0.00 C ATOM 1248 CD ARG A 84 -1.974 -14.691 7.002 1.00 0.00 C ATOM 1249 NE ARG A 84 -0.776 -15.153 6.267 1.00 0.00 N ATOM 1250 CZ ARG A 84 0.169 -14.330 5.765 1.00 0.00 C ATOM 1251 NH1 ARG A 84 0.062 -12.993 5.916 1.00 0.00 N ATOM 1252 NH2 ARG A 84 1.198 -14.852 5.125 1.00 0.00 N ATOM 0 H ARG A 84 -5.693 -15.959 2.989 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.345 -14.885 5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.995 -15.971 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.749 -14.655 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.515 -13.100 5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.862 -13.740 6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.683 -13.989 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.457 -15.535 7.494 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.657 -16.157 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.737 -12.598 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.780 -12.378 5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.271 -15.863 5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.921 -14.244 4.740 1.00 0.00 H new ATOM 1266 N THR A 85 -4.880 -12.527 4.344 1.00 0.00 N ATOM 1267 CA THR A 85 -5.139 -11.266 3.670 1.00 0.00 C ATOM 1268 C THR A 85 -3.960 -10.309 3.855 1.00 0.00 C ATOM 1269 O THR A 85 -3.774 -9.750 4.934 1.00 0.00 O ATOM 1270 CB THR A 85 -6.462 -10.709 4.203 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.404 -11.009 3.177 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.468 -9.180 4.278 1.00 0.00 C ATOM 0 H THR A 85 -4.501 -12.437 5.287 1.00 0.00 H new ATOM 0 HA THR A 85 -5.237 -11.406 2.594 1.00 0.00 H new ATOM 0 HB THR A 85 -6.655 -11.121 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.290 -10.684 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.429 -8.838 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.672 -8.845 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.307 -8.766 3.282 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.195 -10.151 2.788 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.037 -9.272 2.816 1.00 0.00 C ATOM 1282 C TYR A 86 -2.324 -7.962 2.078 1.00 0.00 C ATOM 1283 O TYR A 86 -2.846 -7.976 0.966 1.00 0.00 O ATOM 1284 CB TYR A 86 -0.919 -10.021 2.088 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.238 -11.489 1.802 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.076 -11.823 0.757 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -0.689 -12.482 2.587 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -2.376 -13.204 0.487 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -0.987 -13.864 2.317 1.00 0.00 C ATOM 1290 CZ TYR A 86 -1.816 -14.156 1.281 1.00 0.00 C ATOM 1291 OH TYR A 86 -2.100 -15.462 1.025 1.00 0.00 O ATOM 0 H TYR A 86 -3.353 -10.617 1.895 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.771 -9.022 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.710 -9.515 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.010 -9.967 2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.507 -11.047 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.034 -12.222 3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.031 -13.478 -0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.562 -14.650 2.923 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.423 -15.832 0.421 1.00 0.00 H new ATOM 1301 N THR A 87 -1.971 -6.865 2.729 1.00 0.00 N ATOM 1302 CA THR A 87 -2.184 -5.550 2.149 1.00 0.00 C ATOM 1303 C THR A 87 -1.092 -4.580 2.609 1.00 0.00 C ATOM 1304 O THR A 87 -0.863 -4.423 3.807 1.00 0.00 O ATOM 1305 CB THR A 87 -3.598 -5.092 2.516 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.272 -6.300 2.864 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.375 -4.564 1.310 1.00 0.00 C ATOM 0 H THR A 87 -1.539 -6.859 3.653 1.00 0.00 H new ATOM 0 HA THR A 87 -2.110 -5.582 1.062 1.00 0.00 H new ATOM 0 HB THR A 87 -3.542 -4.315 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.197 -6.097 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.371 -4.253 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.847 -3.712 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.462 -5.351 0.560 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.450 -3.955 1.634 1.00 0.00 N ATOM 1316 CA CYS A 88 0.611 -3.006 1.924 1.00 0.00 C ATOM 1317 C CYS A 88 -0.028 -1.644 2.203 1.00 0.00 C ATOM 1318 O CYS A 88 -0.380 -0.916 1.276 1.00 0.00 O ATOM 1319 CB CYS A 88 1.631 -2.934 0.787 1.00 0.00 C ATOM 1320 SG CYS A 88 1.039 -2.093 -0.726 1.00 0.00 S ATOM 0 H CYS A 88 -0.644 -4.087 0.641 1.00 0.00 H new ATOM 0 HA CYS A 88 1.166 -3.334 2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.520 -2.417 1.148 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.935 -3.948 0.526 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.157 -1.339 3.487 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.746 -0.077 3.902 1.00 0.00 C ATOM 1327 C GLN A 89 0.344 0.973 4.112 1.00 0.00 C ATOM 1328 O GLN A 89 1.033 0.963 5.131 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.589 -0.254 5.165 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.086 1.095 5.688 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.891 0.922 6.977 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -2.537 0.160 7.860 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -3.988 1.671 7.035 1.00 0.00 N ATOM 0 H GLN A 89 0.137 -1.945 4.253 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.409 0.270 3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.440 -0.900 4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.998 -0.750 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.237 1.753 5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.705 1.577 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.226 2.288 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.592 1.628 7.856 1.00 0.00 H new ATOM 1342 N VAL A 90 0.468 1.857 3.132 1.00 0.00 N ATOM 1343 CA VAL A 90 1.466 2.914 3.198 1.00 0.00 C ATOM 1344 C VAL A 90 0.811 4.191 3.729 1.00 0.00 C ATOM 1345 O VAL A 90 -0.159 4.681 3.156 1.00 0.00 O ATOM 1346 CB VAL A 90 2.119 3.102 1.828 1.00 0.00 C ATOM 1347 CG1 VAL A 90 1.823 4.495 1.266 1.00 0.00 C ATOM 1348 CG2 VAL A 90 3.627 2.848 1.900 1.00 0.00 C ATOM 0 H VAL A 90 -0.105 1.864 2.288 1.00 0.00 H new ATOM 0 HA VAL A 90 2.265 2.645 3.889 1.00 0.00 H new ATOM 0 HB VAL A 90 1.688 2.368 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.299 4.603 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.746 4.623 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.213 5.252 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.067 2.988 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.081 3.547 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.808 1.827 2.236 1.00 0.00 H new ATOM 1358 N THR A 91 1.373 4.694 4.820 1.00 0.00 N ATOM 1359 CA THR A 91 0.857 5.905 5.435 1.00 0.00 C ATOM 1360 C THR A 91 1.590 7.133 4.890 1.00 0.00 C ATOM 1361 O THR A 91 2.637 7.006 4.258 1.00 0.00 O ATOM 1362 CB THR A 91 0.974 5.751 6.954 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.376 5.665 7.399 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.512 7.014 7.629 1.00 0.00 C ATOM 0 H THR A 91 2.179 4.285 5.292 1.00 0.00 H new ATOM 0 HA THR A 91 -0.194 6.057 5.190 1.00 0.00 H new ATOM 0 HB THR A 91 1.628 4.910 7.185 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.393 5.562 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.576 6.852 8.705 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.503 7.242 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.841 7.849 7.427 1.00 0.00 H new ATOM 1372 N TYR A 92 1.011 8.294 5.156 1.00 0.00 N ATOM 1373 CA TYR A 92 1.595 9.544 4.702 1.00 0.00 C ATOM 1374 C TYR A 92 1.571 10.597 5.812 1.00 0.00 C ATOM 1375 O TYR A 92 0.793 10.488 6.760 1.00 0.00 O ATOM 1376 CB TYR A 92 0.719 10.022 3.542 1.00 0.00 C ATOM 1377 CG TYR A 92 0.979 9.292 2.223 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.513 8.004 2.045 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.680 9.918 1.213 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.757 7.316 0.802 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.924 9.230 -0.028 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.450 7.962 -0.173 1.00 0.00 C ATOM 1383 OH TYR A 92 1.681 7.312 -1.344 1.00 0.00 O ATOM 0 H TYR A 92 0.142 8.395 5.681 1.00 0.00 H new ATOM 0 HA TYR A 92 2.634 9.397 4.408 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.329 9.895 3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.882 11.089 3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.034 7.513 2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.046 10.924 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.397 6.309 0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.471 9.709 -0.826 1.00 0.00 H new ATOM 0 HH TYR A 92 2.461 7.706 -1.788 1.00 0.00 H new ATOM 1393 N GLN A 93 2.430 11.594 5.657 1.00 0.00 N ATOM 1394 CA GLN A 93 2.517 12.665 6.633 1.00 0.00 C ATOM 1395 C GLN A 93 1.120 13.182 6.981 1.00 0.00 C ATOM 1396 O GLN A 93 0.901 13.707 8.071 1.00 0.00 O ATOM 1397 CB GLN A 93 3.410 13.800 6.125 1.00 0.00 C ATOM 1398 CG GLN A 93 4.607 13.250 5.347 1.00 0.00 C ATOM 1399 CD GLN A 93 5.883 14.022 5.682 1.00 0.00 C ATOM 1400 OE1 GLN A 93 5.992 15.219 5.460 1.00 0.00 O ATOM 1401 NE2 GLN A 93 6.840 13.278 6.228 1.00 0.00 N ATOM 0 H GLN A 93 3.072 11.682 4.869 1.00 0.00 H new ATOM 0 HA GLN A 93 2.972 12.266 7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.830 14.465 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.762 14.395 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.744 12.195 5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.410 13.314 4.277 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.684 12.283 6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.730 13.703 6.488 1.00 0.00 H new ATOM 1410 N GLY A 94 0.208 13.016 6.032 1.00 0.00 N ATOM 1411 CA GLY A 94 -1.160 13.459 6.224 1.00 0.00 C ATOM 1412 C GLY A 94 -2.118 12.687 5.313 1.00 0.00 C ATOM 1413 O GLY A 94 -3.116 13.237 4.850 1.00 0.00 O ATOM 0 H GLY A 94 0.392 12.580 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.449 13.318 7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.234 14.526 6.015 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.781 11.428 5.084 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.599 10.576 4.237 1.00 0.00 C ATOM 1419 C HIS A 95 -2.327 9.107 4.572 1.00 0.00 C ATOM 1420 O HIS A 95 -1.504 8.804 5.433 1.00 0.00 O ATOM 1421 CB HIS A 95 -2.368 10.899 2.759 1.00 0.00 C ATOM 1422 CG HIS A 95 -3.602 10.752 1.901 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -3.567 10.822 0.518 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -4.907 10.539 2.242 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -4.799 10.657 0.059 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -5.628 10.484 1.128 1.00 0.00 N ATOM 0 H HIS A 95 -0.952 10.976 5.470 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.654 10.768 4.431 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.998 11.921 2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.588 10.244 2.372 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.288 10.433 3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.095 10.659 -0.980 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -6.636 10.337 1.080 1.00 0.00 H new ATOM 1434 N THR A 96 -3.038 8.233 3.873 1.00 0.00 N ATOM 1435 CA THR A 96 -2.885 6.804 4.085 1.00 0.00 C ATOM 1436 C THR A 96 -3.391 6.027 2.868 1.00 0.00 C ATOM 1437 O THR A 96 -4.213 6.529 2.104 1.00 0.00 O ATOM 1438 CB THR A 96 -3.608 6.440 5.384 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.188 5.104 5.651 1.00 0.00 O ATOM 1440 CG2 THR A 96 -5.122 6.322 5.199 1.00 0.00 C ATOM 0 H THR A 96 -3.721 8.488 3.160 1.00 0.00 H new ATOM 0 HA THR A 96 -1.836 6.529 4.192 1.00 0.00 H new ATOM 0 HB THR A 96 -3.392 7.193 6.142 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.355 5.120 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.586 6.062 6.151 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.521 7.274 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.340 5.546 4.466 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.879 4.813 2.727 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.269 3.961 1.616 1.00 0.00 C ATOM 1450 C PHE A 97 -2.943 2.496 1.908 1.00 0.00 C ATOM 1451 O PHE A 97 -2.113 2.200 2.766 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.464 4.419 0.399 1.00 0.00 C ATOM 1453 CG PHE A 97 -2.483 3.429 -0.767 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -1.579 2.413 -0.813 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -3.403 3.563 -1.759 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -1.597 1.493 -1.895 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -3.422 2.644 -2.842 1.00 0.00 C ATOM 1458 CZ PHE A 97 -2.517 1.628 -2.886 1.00 0.00 C ATOM 0 H PHE A 97 -2.198 4.399 3.363 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.343 4.038 1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.856 5.376 0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.431 4.588 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.847 2.306 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.121 4.369 -1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.880 0.686 -1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.153 2.751 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.530 0.929 -3.709 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.611 1.617 1.177 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.402 0.190 1.347 1.00 0.00 C ATOM 1470 C GLU A 98 -3.829 -0.564 0.083 1.00 0.00 C ATOM 1471 O GLU A 98 -4.924 -0.345 -0.432 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.150 -0.333 2.575 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.701 -1.753 2.928 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.539 -2.323 4.074 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -4.376 -1.903 5.229 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.385 -3.235 3.730 1.00 0.00 O ATOM 0 H GLU A 98 -4.298 1.866 0.465 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.338 0.016 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.973 0.329 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.223 -0.324 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.791 -2.395 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.648 -1.746 3.211 1.00 0.00 H new ATOM 1484 N ASP A 99 -2.943 -1.435 -0.375 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.214 -2.221 -1.568 1.00 0.00 C ATOM 1486 C ASP A 99 -2.331 -3.470 -1.561 1.00 0.00 C ATOM 1487 O ASP A 99 -1.120 -3.378 -1.369 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.899 -1.425 -2.836 1.00 0.00 C ATOM 1489 CG ASP A 99 -4.107 -0.766 -3.502 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -4.039 -0.332 -4.662 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -5.170 -0.709 -2.772 1.00 0.00 O ATOM 0 H ASP A 99 -2.037 -1.615 0.058 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.271 -2.487 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.172 -0.651 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.424 -2.091 -3.556 1.00 0.00 H new ATOM 1497 N SER A 100 -2.973 -4.611 -1.771 1.00 0.00 N ATOM 1498 CA SER A 100 -2.260 -5.877 -1.793 1.00 0.00 C ATOM 1499 C SER A 100 -3.161 -6.973 -2.365 1.00 0.00 C ATOM 1500 O SER A 100 -3.923 -6.732 -3.301 1.00 0.00 O ATOM 1501 CB SER A 100 -1.780 -6.261 -0.392 1.00 0.00 C ATOM 1502 OG SER A 100 -1.050 -7.486 -0.396 1.00 0.00 O ATOM 0 H SER A 100 -3.978 -4.685 -1.927 1.00 0.00 H new ATOM 0 HA SER A 100 -1.383 -5.767 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.151 -5.465 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.639 -6.352 0.273 1.00 0.00 H new ATOM 0 HG SER A 100 -0.285 -7.413 0.212 1.00 0.00 H new ATOM 1508 N THR A 101 -3.044 -8.156 -1.778 1.00 0.00 N ATOM 1509 CA THR A 101 -3.839 -9.290 -2.217 1.00 0.00 C ATOM 1510 C THR A 101 -4.479 -9.991 -1.017 1.00 0.00 C ATOM 1511 O THR A 101 -4.187 -9.654 0.130 1.00 0.00 O ATOM 1512 CB THR A 101 -2.935 -10.207 -3.043 1.00 0.00 C ATOM 1513 OG1 THR A 101 -3.808 -11.241 -3.496 1.00 0.00 O ATOM 1514 CG2 THR A 101 -1.903 -10.941 -2.186 1.00 0.00 C ATOM 0 H THR A 101 -2.411 -8.353 -1.003 1.00 0.00 H new ATOM 0 HA THR A 101 -4.669 -8.971 -2.847 1.00 0.00 H new ATOM 0 HB THR A 101 -2.422 -9.619 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.412 -11.686 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.288 -11.578 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.269 -10.214 -1.678 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.416 -11.555 -1.445 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.340 -10.950 -1.322 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.026 -11.698 -0.282 1.00 0.00 C ATOM 1524 C LYS A 102 -6.783 -12.867 -0.915 1.00 0.00 C ATOM 1525 O LYS A 102 -7.418 -12.707 -1.957 1.00 0.00 O ATOM 1526 CB LYS A 102 -6.911 -10.770 0.552 1.00 0.00 C ATOM 1527 CG LYS A 102 -7.480 -9.638 -0.306 1.00 0.00 C ATOM 1528 CD LYS A 102 -8.945 -9.365 0.048 1.00 0.00 C ATOM 1529 CE LYS A 102 -9.883 -10.218 -0.806 1.00 0.00 C ATOM 1530 NZ LYS A 102 -10.305 -9.475 -2.014 1.00 0.00 N ATOM 0 H LYS A 102 -5.579 -11.227 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.307 -12.125 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.727 -11.341 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.331 -10.351 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.891 -8.733 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.400 -9.901 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -9.114 -9.578 1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.169 -8.309 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.381 -11.141 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.759 -10.502 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.942 -10.069 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.803 -8.607 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.468 -9.226 -2.579 1.00 0.00 H new