USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 545 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 24 SER OG : rot 78:sc= 1.07 USER MOD Set 1.2: A 68 MET CE :methyl -140:sc= -0.0299 (180deg=-0.321) USER MOD Single : A 8 THR OG1 : rot 37:sc= 0.0649 USER MOD Single : A 9 SER OG : rot -140:sc= 0 USER MOD Single : A 10 THR OG1 : rot 9:sc= 1.12 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 12:sc= 0.752 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 4:sc= -2.98! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.82!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.00473 (180deg=-0.0771) USER MOD Single : A 37 SER OG : rot 180:sc= -0.003 USER MOD Single : A 38 MET CE :methyl 150:sc= 0 (180deg=-0.843) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.7) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00109 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -3.84! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -2.9! USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 60 GLN : amide:sc= -0.0459 K(o=-0.046,f=-0.68) USER MOD Single : A 62 CYS SG : rot 74:sc= 0.903 USER MOD Single : A 63 HIS : no HD1:sc= -0.691 K(o=-0.69,f=-0.031) USER MOD Single : A 64 GLN : amide:sc= -3.49! C(o=-3.5!,f=-6.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 3.375 -10.673 -0.724 1.00 0.00 N ATOM 72 CA VAL A 6 3.156 -9.456 0.031 1.00 0.00 C ATOM 73 C VAL A 6 4.191 -8.408 -0.319 1.00 0.00 C ATOM 74 O VAL A 6 5.393 -8.642 -0.199 1.00 0.00 O ATOM 75 CB VAL A 6 3.193 -9.711 1.564 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.977 -8.414 2.334 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.153 -10.744 1.967 1.00 0.00 C ATOM 0 HA VAL A 6 2.163 -9.096 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 6 4.180 -10.101 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.007 -8.617 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.763 -7.703 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.007 -7.992 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.199 -10.905 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.160 -10.386 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.354 -11.683 1.451 1.00 0.00 H new ATOM 87 N ALA A 7 3.727 -7.266 -0.759 1.00 0.00 N ATOM 88 CA ALA A 7 4.599 -6.157 -1.051 1.00 0.00 C ATOM 89 C ALA A 7 4.262 -5.006 -0.135 1.00 0.00 C ATOM 90 O ALA A 7 3.091 -4.665 0.026 1.00 0.00 O ATOM 91 CB ALA A 7 4.461 -5.734 -2.505 1.00 0.00 C ATOM 0 H ALA A 7 2.738 -7.079 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 7 5.632 -6.462 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.128 -4.895 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.724 -6.570 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.432 -5.434 -2.700 1.00 0.00 H new ATOM 97 N THR A 8 5.269 -4.425 0.476 1.00 0.00 N ATOM 98 CA THR A 8 5.059 -3.311 1.368 1.00 0.00 C ATOM 99 C THR A 8 5.633 -2.054 0.769 1.00 0.00 C ATOM 100 O THR A 8 6.752 -2.059 0.252 1.00 0.00 O ATOM 101 CB THR A 8 5.727 -3.544 2.737 1.00 0.00 C ATOM 102 OG1 THR A 8 7.134 -3.784 2.557 1.00 0.00 O ATOM 103 CG2 THR A 8 5.102 -4.724 3.460 1.00 0.00 C ATOM 0 H THR A 8 6.243 -4.707 0.370 1.00 0.00 H new ATOM 0 HA THR A 8 3.983 -3.211 1.511 1.00 0.00 H new ATOM 0 HB THR A 8 5.577 -2.650 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.472 -3.220 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.594 -4.863 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.041 -4.532 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.221 -5.625 2.858 1.00 0.00 H new ATOM 111 N SER A 9 4.886 -0.994 0.840 1.00 0.00 N ATOM 112 CA SER A 9 5.328 0.275 0.340 1.00 0.00 C ATOM 113 C SER A 9 4.548 1.369 1.026 1.00 0.00 C ATOM 114 O SER A 9 3.416 1.144 1.474 1.00 0.00 O ATOM 115 CB SER A 9 5.143 0.348 -1.181 1.00 0.00 C ATOM 116 OG SER A 9 5.645 1.566 -1.706 1.00 0.00 O ATOM 0 H SER A 9 3.951 -0.983 1.247 1.00 0.00 H new ATOM 0 HA SER A 9 6.390 0.401 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.655 -0.491 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.085 0.254 -1.425 1.00 0.00 H new ATOM 0 HG SER A 9 5.040 1.896 -2.402 1.00 0.00 H new ATOM 122 N THR A 10 5.143 2.528 1.144 1.00 0.00 N ATOM 123 CA THR A 10 4.475 3.638 1.756 1.00 0.00 C ATOM 124 C THR A 10 4.189 4.703 0.724 1.00 0.00 C ATOM 125 O THR A 10 4.982 4.936 -0.179 1.00 0.00 O ATOM 126 CB THR A 10 5.298 4.229 2.928 1.00 0.00 C ATOM 127 OG1 THR A 10 6.626 4.558 2.488 1.00 0.00 O ATOM 128 CG2 THR A 10 5.378 3.242 4.085 1.00 0.00 C ATOM 0 H THR A 10 6.091 2.724 0.822 1.00 0.00 H new ATOM 0 HA THR A 10 3.534 3.275 2.168 1.00 0.00 H new ATOM 0 HB THR A 10 4.795 5.133 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.678 4.475 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.961 3.679 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.373 3.016 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.858 2.324 3.747 1.00 0.00 H new ATOM 136 N VAL A 11 3.061 5.329 0.841 1.00 0.00 N ATOM 137 CA VAL A 11 2.690 6.357 -0.086 1.00 0.00 C ATOM 138 C VAL A 11 2.175 7.571 0.660 1.00 0.00 C ATOM 139 O VAL A 11 1.300 7.459 1.519 1.00 0.00 O ATOM 140 CB VAL A 11 1.630 5.840 -1.106 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.380 5.320 -0.403 1.00 0.00 C ATOM 142 CG2 VAL A 11 1.272 6.921 -2.108 1.00 0.00 C ATOM 0 H VAL A 11 2.375 5.146 1.574 1.00 0.00 H new ATOM 0 HA VAL A 11 3.576 6.645 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 11 2.076 5.005 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.336 4.968 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.650 4.497 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.069 6.123 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.531 6.536 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.861 7.783 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.166 7.222 -2.654 1.00 0.00 H new ATOM 152 N ARG A 12 2.739 8.722 0.362 1.00 0.00 N ATOM 153 CA ARG A 12 2.315 9.938 1.013 1.00 0.00 C ATOM 154 C ARG A 12 1.280 10.634 0.170 1.00 0.00 C ATOM 155 O ARG A 12 1.369 10.633 -1.055 1.00 0.00 O ATOM 156 CB ARG A 12 3.501 10.861 1.313 1.00 0.00 C ATOM 157 CG ARG A 12 4.148 11.510 0.106 1.00 0.00 C ATOM 158 CD ARG A 12 5.379 12.294 0.524 1.00 0.00 C ATOM 159 NE ARG A 12 5.991 13.028 -0.586 1.00 0.00 N ATOM 160 CZ ARG A 12 7.147 13.692 -0.488 1.00 0.00 C ATOM 161 NH1 ARG A 12 7.864 13.624 0.629 1.00 0.00 N ATOM 162 NH2 ARG A 12 7.589 14.405 -1.511 1.00 0.00 N ATOM 0 H ARG A 12 3.487 8.839 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 12 1.868 9.677 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.164 11.647 1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.260 10.287 1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.425 10.746 -0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.435 12.173 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.106 12.997 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.113 11.609 0.949 1.00 0.00 H new ATOM 0 HE ARG A 12 5.508 13.033 -1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.533 13.064 1.414 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.746 14.132 0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.048 14.448 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.471 14.912 -1.436 1.00 0.00 H new ATOM 176 N ILE A 13 0.308 11.221 0.814 1.00 0.00 N ATOM 177 CA ILE A 13 -0.775 11.867 0.114 1.00 0.00 C ATOM 178 C ILE A 13 -0.696 13.373 0.273 1.00 0.00 C ATOM 179 O ILE A 13 -0.592 13.887 1.389 1.00 0.00 O ATOM 180 CB ILE A 13 -2.145 11.362 0.619 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.260 9.845 0.411 1.00 0.00 C ATOM 182 CG2 ILE A 13 -3.273 12.088 -0.098 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.486 9.227 1.052 1.00 0.00 C ATOM 0 H ILE A 13 0.242 11.267 1.831 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.679 11.616 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.225 11.572 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.277 9.635 -0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.369 9.364 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.232 11.722 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.196 13.158 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.200 11.905 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.495 8.154 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.462 9.403 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.384 9.678 0.630 1.00 0.00 H new ATOM 195 N LEU A 14 -0.720 14.073 -0.841 1.00 0.00 N ATOM 196 CA LEU A 14 -0.664 15.511 -0.832 1.00 0.00 C ATOM 197 C LEU A 14 -1.985 16.093 -1.324 1.00 0.00 C ATOM 198 O LEU A 14 -2.375 15.900 -2.482 1.00 0.00 O ATOM 199 CB LEU A 14 0.499 15.999 -1.705 1.00 0.00 C ATOM 200 CG LEU A 14 0.669 17.517 -1.819 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.925 18.136 -0.454 1.00 0.00 C ATOM 202 CD2 LEU A 14 1.804 17.849 -2.772 1.00 0.00 C ATOM 0 H LEU A 14 -0.779 13.660 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.497 15.852 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.424 15.580 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.368 15.593 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.256 17.937 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.043 19.214 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.082 17.926 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.834 17.712 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.914 18.931 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.731 17.414 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.582 17.441 -3.758 1.00 0.00 H new ATOM 214 N GLY A 15 -2.670 16.786 -0.439 1.00 0.00 N ATOM 215 CA GLY A 15 -3.919 17.408 -0.785 1.00 0.00 C ATOM 216 C GLY A 15 -4.421 18.280 0.332 1.00 0.00 C ATOM 217 O GLY A 15 -4.171 17.992 1.508 1.00 0.00 O ATOM 0 H GLY A 15 -2.377 16.930 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.793 18.006 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.660 16.641 -1.012 1.00 0.00 H new ATOM 221 N MET A 16 -5.123 19.345 -0.021 1.00 0.00 N ATOM 222 CA MET A 16 -5.656 20.268 0.969 1.00 0.00 C ATOM 223 C MET A 16 -6.716 19.590 1.824 1.00 0.00 C ATOM 224 O MET A 16 -6.755 19.765 3.039 1.00 0.00 O ATOM 225 CB MET A 16 -6.216 21.515 0.291 1.00 0.00 C ATOM 226 CG MET A 16 -5.148 22.375 -0.366 1.00 0.00 C ATOM 227 SD MET A 16 -5.826 23.821 -1.201 1.00 0.00 S ATOM 228 CE MET A 16 -4.335 24.535 -1.891 1.00 0.00 C ATOM 0 H MET A 16 -5.337 19.592 -0.987 1.00 0.00 H new ATOM 0 HA MET A 16 -4.842 20.575 1.626 1.00 0.00 H new ATOM 0 HB2 MET A 16 -6.944 21.214 -0.462 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.750 22.113 1.030 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.434 22.700 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.596 21.772 -1.086 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.587 25.442 -2.441 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.642 24.779 -1.086 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.868 23.819 -2.567 1.00 0.00 H new ATOM 238 N THR A 17 -7.559 18.796 1.194 1.00 0.00 N ATOM 239 CA THR A 17 -8.554 18.053 1.921 1.00 0.00 C ATOM 240 C THR A 17 -8.075 16.616 2.081 1.00 0.00 C ATOM 241 O THR A 17 -8.402 15.733 1.278 1.00 0.00 O ATOM 242 CB THR A 17 -9.918 18.086 1.209 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.230 19.438 0.850 1.00 0.00 O ATOM 244 CG2 THR A 17 -11.009 17.555 2.125 1.00 0.00 C ATOM 0 H THR A 17 -7.571 18.653 0.184 1.00 0.00 H new ATOM 0 HA THR A 17 -8.690 18.513 2.900 1.00 0.00 H new ATOM 0 HB THR A 17 -9.864 17.460 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.097 19.464 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.967 17.585 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.780 16.527 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.063 18.172 3.022 1.00 0.00 H new ATOM 252 N CYS A 18 -7.284 16.402 3.117 1.00 0.00 N ATOM 253 CA CYS A 18 -6.654 15.118 3.374 1.00 0.00 C ATOM 254 C CYS A 18 -7.672 14.012 3.650 1.00 0.00 C ATOM 255 O CYS A 18 -7.520 12.888 3.175 1.00 0.00 O ATOM 256 CB CYS A 18 -5.677 15.242 4.543 1.00 0.00 C ATOM 257 SG CYS A 18 -4.214 16.243 4.176 1.00 0.00 S ATOM 0 H CYS A 18 -7.059 17.118 3.808 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.113 14.835 2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.199 15.678 5.395 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.356 14.244 4.843 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.391 16.874 3.053 1.00 0.00 H new ATOM 263 N GLN A 19 -8.714 14.330 4.393 1.00 0.00 N ATOM 264 CA GLN A 19 -9.703 13.324 4.762 1.00 0.00 C ATOM 265 C GLN A 19 -10.425 12.742 3.536 1.00 0.00 C ATOM 266 O GLN A 19 -10.622 11.532 3.443 1.00 0.00 O ATOM 267 CB GLN A 19 -10.714 13.905 5.757 1.00 0.00 C ATOM 268 CG GLN A 19 -11.540 15.063 5.212 1.00 0.00 C ATOM 269 CD GLN A 19 -12.537 15.584 6.221 1.00 0.00 C ATOM 270 OE1 GLN A 19 -13.020 14.840 7.073 1.00 0.00 O ATOM 271 NE2 GLN A 19 -12.851 16.858 6.135 1.00 0.00 N ATOM 0 H GLN A 19 -8.901 15.266 4.752 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.167 12.504 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.390 13.111 6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.179 14.243 6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.874 15.872 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.069 14.738 4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.427 17.440 5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.519 17.264 6.791 1.00 0.00 H new ATOM 280 N SER A 20 -10.786 13.600 2.593 1.00 0.00 N ATOM 281 CA SER A 20 -11.504 13.167 1.407 1.00 0.00 C ATOM 282 C SER A 20 -10.645 12.281 0.500 1.00 0.00 C ATOM 283 O SER A 20 -11.126 11.280 -0.034 1.00 0.00 O ATOM 284 CB SER A 20 -12.034 14.373 0.643 1.00 0.00 C ATOM 285 OG SER A 20 -12.964 15.093 1.438 1.00 0.00 O ATOM 0 H SER A 20 -10.592 14.601 2.628 1.00 0.00 H new ATOM 0 HA SER A 20 -12.346 12.558 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.207 15.024 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.512 14.045 -0.280 1.00 0.00 H new ATOM 0 HG SER A 20 -13.295 15.866 0.935 1.00 0.00 H new ATOM 291 N CYS A 21 -9.375 12.641 0.333 1.00 0.00 N ATOM 292 CA CYS A 21 -8.489 11.867 -0.526 1.00 0.00 C ATOM 293 C CYS A 21 -8.185 10.501 0.070 1.00 0.00 C ATOM 294 O CYS A 21 -8.148 9.499 -0.650 1.00 0.00 O ATOM 295 CB CYS A 21 -7.203 12.637 -0.829 1.00 0.00 C ATOM 296 SG CYS A 21 -6.305 13.211 0.620 1.00 0.00 S ATOM 0 H CYS A 21 -8.943 13.452 0.775 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.010 11.702 -1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.544 11.998 -1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.450 13.498 -1.450 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.895 12.779 1.695 1.00 0.00 H new ATOM 302 N VAL A 22 -7.984 10.458 1.387 1.00 0.00 N ATOM 303 CA VAL A 22 -7.728 9.202 2.073 1.00 0.00 C ATOM 304 C VAL A 22 -8.934 8.287 1.939 1.00 0.00 C ATOM 305 O VAL A 22 -8.807 7.119 1.597 1.00 0.00 O ATOM 306 CB VAL A 22 -7.405 9.423 3.575 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.345 8.097 4.319 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.092 10.174 3.733 1.00 0.00 C ATOM 0 H VAL A 22 -7.994 11.278 1.994 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.858 8.740 1.607 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.206 10.023 4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.117 8.279 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.307 7.591 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.568 7.470 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.882 10.320 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.286 9.597 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.166 11.144 3.241 1.00 0.00 H new ATOM 318 N LYS A 23 -10.105 8.850 2.168 1.00 0.00 N ATOM 319 CA LYS A 23 -11.346 8.099 2.082 1.00 0.00 C ATOM 320 C LYS A 23 -11.553 7.554 0.671 1.00 0.00 C ATOM 321 O LYS A 23 -11.921 6.389 0.486 1.00 0.00 O ATOM 322 CB LYS A 23 -12.523 8.991 2.486 1.00 0.00 C ATOM 323 CG LYS A 23 -13.877 8.300 2.457 1.00 0.00 C ATOM 324 CD LYS A 23 -14.977 9.249 2.896 1.00 0.00 C ATOM 325 CE LYS A 23 -16.340 8.581 2.870 1.00 0.00 C ATOM 326 NZ LYS A 23 -17.413 9.508 3.314 1.00 0.00 N ATOM 0 H LYS A 23 -10.224 9.832 2.417 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.289 7.253 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.345 9.372 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.555 9.853 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.084 7.938 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.860 7.429 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.767 9.608 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.987 10.121 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.555 8.232 1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.328 7.703 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.330 9.018 3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.220 9.822 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.441 10.334 2.683 1.00 0.00 H new ATOM 340 N SER A 24 -11.299 8.399 -0.321 1.00 0.00 N ATOM 341 CA SER A 24 -11.483 8.018 -1.707 1.00 0.00 C ATOM 342 C SER A 24 -10.556 6.867 -2.116 1.00 0.00 C ATOM 343 O SER A 24 -11.003 5.896 -2.730 1.00 0.00 O ATOM 344 CB SER A 24 -11.256 9.219 -2.616 1.00 0.00 C ATOM 345 OG SER A 24 -12.214 10.236 -2.368 1.00 0.00 O ATOM 0 H SER A 24 -10.965 9.353 -0.186 1.00 0.00 H new ATOM 0 HA SER A 24 -12.509 7.667 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.253 9.614 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.315 8.906 -3.658 1.00 0.00 H new ATOM 0 HG SER A 24 -11.965 10.729 -1.558 1.00 0.00 H new ATOM 351 N ILE A 25 -9.272 6.961 -1.758 1.00 0.00 N ATOM 352 CA ILE A 25 -8.327 5.917 -2.098 1.00 0.00 C ATOM 353 C ILE A 25 -8.653 4.617 -1.366 1.00 0.00 C ATOM 354 O ILE A 25 -8.462 3.543 -1.914 1.00 0.00 O ATOM 355 CB ILE A 25 -6.839 6.336 -1.849 1.00 0.00 C ATOM 356 CG1 ILE A 25 -5.882 5.293 -2.447 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.556 6.532 -0.367 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.422 5.701 -2.406 1.00 0.00 C ATOM 0 H ILE A 25 -8.875 7.744 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.431 5.749 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.674 7.291 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.001 4.354 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.167 5.104 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.514 6.822 -0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.205 7.314 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.746 5.600 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.811 4.913 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.286 6.623 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.118 5.861 -1.372 1.00 0.00 H new ATOM 370 N GLU A 26 -9.175 4.720 -0.135 1.00 0.00 N ATOM 371 CA GLU A 26 -9.550 3.528 0.622 1.00 0.00 C ATOM 372 C GLU A 26 -10.652 2.756 -0.101 1.00 0.00 C ATOM 373 O GLU A 26 -10.592 1.534 -0.217 1.00 0.00 O ATOM 374 CB GLU A 26 -10.016 3.895 2.036 1.00 0.00 C ATOM 375 CG GLU A 26 -8.909 4.390 2.954 1.00 0.00 C ATOM 376 CD GLU A 26 -9.417 4.711 4.345 1.00 0.00 C ATOM 377 OE1 GLU A 26 -9.999 5.799 4.540 1.00 0.00 O ATOM 378 OE2 GLU A 26 -9.259 3.862 5.250 1.00 0.00 O ATOM 0 H GLU A 26 -9.343 5.603 0.347 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.666 2.896 0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.783 4.666 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.484 3.021 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.129 3.632 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.452 5.280 2.522 1.00 0.00 H new ATOM 385 N ASP A 27 -11.648 3.477 -0.601 1.00 0.00 N ATOM 386 CA ASP A 27 -12.734 2.854 -1.356 1.00 0.00 C ATOM 387 C ASP A 27 -12.218 2.268 -2.661 1.00 0.00 C ATOM 388 O ASP A 27 -12.544 1.134 -3.025 1.00 0.00 O ATOM 389 CB ASP A 27 -13.855 3.861 -1.641 1.00 0.00 C ATOM 390 CG ASP A 27 -15.011 3.242 -2.415 1.00 0.00 C ATOM 391 OD1 ASP A 27 -15.685 2.340 -1.870 1.00 0.00 O ATOM 392 OD2 ASP A 27 -15.261 3.660 -3.563 1.00 0.00 O ATOM 0 H ASP A 27 -11.729 4.489 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.140 2.047 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.227 4.263 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.450 4.700 -2.207 1.00 0.00 H new ATOM 397 N ARG A 28 -11.404 3.046 -3.352 1.00 0.00 N ATOM 398 CA ARG A 28 -10.855 2.643 -4.636 1.00 0.00 C ATOM 399 C ARG A 28 -9.932 1.417 -4.516 1.00 0.00 C ATOM 400 O ARG A 28 -10.025 0.484 -5.318 1.00 0.00 O ATOM 401 CB ARG A 28 -10.101 3.815 -5.261 1.00 0.00 C ATOM 402 CG ARG A 28 -10.988 4.994 -5.662 1.00 0.00 C ATOM 403 CD ARG A 28 -11.923 4.633 -6.805 1.00 0.00 C ATOM 404 NE ARG A 28 -12.777 5.762 -7.198 1.00 0.00 N ATOM 405 CZ ARG A 28 -12.507 6.634 -8.183 1.00 0.00 C ATOM 406 NH1 ARG A 28 -11.406 6.512 -8.917 1.00 0.00 N ATOM 407 NH2 ARG A 28 -13.355 7.621 -8.438 1.00 0.00 N ATOM 0 H ARG A 28 -11.106 3.971 -3.042 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.687 2.354 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.349 4.166 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.569 3.460 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.574 5.318 -4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.362 5.836 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.336 4.307 -7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.549 3.791 -6.509 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.646 5.894 -6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.754 5.749 -8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.213 7.181 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.208 7.716 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.154 8.286 -9.185 1.00 0.00 H new ATOM 421 N ILE A 29 -9.071 1.403 -3.499 1.00 0.00 N ATOM 422 CA ILE A 29 -8.158 0.280 -3.304 1.00 0.00 C ATOM 423 C ILE A 29 -8.928 -0.953 -2.847 1.00 0.00 C ATOM 424 O ILE A 29 -8.577 -2.075 -3.185 1.00 0.00 O ATOM 425 CB ILE A 29 -7.005 0.610 -2.303 1.00 0.00 C ATOM 426 CG1 ILE A 29 -5.923 -0.476 -2.359 1.00 0.00 C ATOM 427 CG2 ILE A 29 -7.535 0.756 -0.883 1.00 0.00 C ATOM 428 CD1 ILE A 29 -4.667 -0.132 -1.585 1.00 0.00 C ATOM 0 H ILE A 29 -8.987 2.147 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.690 0.076 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.565 1.562 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.335 -1.406 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.658 -0.657 -3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.710 0.985 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.267 1.563 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.008 -0.176 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.950 -0.949 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.229 0.780 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.917 0.020 -0.535 1.00 0.00 H new ATOM 440 N SER A 30 -9.993 -0.723 -2.084 1.00 0.00 N ATOM 441 CA SER A 30 -10.865 -1.787 -1.633 1.00 0.00 C ATOM 442 C SER A 30 -11.512 -2.463 -2.838 1.00 0.00 C ATOM 443 O SER A 30 -11.684 -3.684 -2.866 1.00 0.00 O ATOM 444 CB SER A 30 -11.932 -1.239 -0.676 1.00 0.00 C ATOM 445 OG SER A 30 -12.773 -2.271 -0.188 1.00 0.00 O ATOM 0 H SER A 30 -10.270 0.206 -1.765 1.00 0.00 H new ATOM 0 HA SER A 30 -10.276 -2.526 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.448 -0.737 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.534 -0.491 -1.191 1.00 0.00 H new ATOM 0 HG SER A 30 -13.440 -1.889 0.420 1.00 0.00 H new ATOM 451 N ASN A 31 -11.875 -1.650 -3.831 1.00 0.00 N ATOM 452 CA ASN A 31 -12.492 -2.148 -5.054 1.00 0.00 C ATOM 453 C ASN A 31 -11.485 -2.991 -5.839 1.00 0.00 C ATOM 454 O ASN A 31 -11.853 -3.955 -6.507 1.00 0.00 O ATOM 455 CB ASN A 31 -12.978 -0.954 -5.907 1.00 0.00 C ATOM 456 CG ASN A 31 -13.805 -1.343 -7.137 1.00 0.00 C ATOM 457 OD1 ASN A 31 -13.616 -2.393 -7.740 1.00 0.00 O ATOM 458 ND2 ASN A 31 -14.729 -0.482 -7.510 1.00 0.00 N ATOM 0 H ASN A 31 -11.750 -0.638 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.347 -2.776 -4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.575 -0.294 -5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.110 -0.382 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.313 -0.680 -8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.861 0.383 -6.986 1.00 0.00 H new ATOM 465 N LEU A 32 -10.214 -2.660 -5.712 1.00 0.00 N ATOM 466 CA LEU A 32 -9.177 -3.413 -6.394 1.00 0.00 C ATOM 467 C LEU A 32 -8.930 -4.742 -5.686 1.00 0.00 C ATOM 468 O LEU A 32 -8.742 -4.791 -4.469 1.00 0.00 O ATOM 469 CB LEU A 32 -7.877 -2.605 -6.465 1.00 0.00 C ATOM 470 CG LEU A 32 -7.958 -1.269 -7.212 1.00 0.00 C ATOM 471 CD1 LEU A 32 -6.624 -0.545 -7.152 1.00 0.00 C ATOM 472 CD2 LEU A 32 -8.383 -1.486 -8.659 1.00 0.00 C ATOM 0 H LEU A 32 -9.876 -1.881 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.516 -3.614 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.537 -2.410 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.115 -3.221 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.710 -0.649 -6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.699 0.402 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.360 -0.354 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.854 -1.163 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.434 -0.525 -9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.656 -2.126 -9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.363 -1.963 -8.683 1.00 0.00 H new ATOM 484 N LYS A 33 -8.949 -5.812 -6.446 1.00 0.00 N ATOM 485 CA LYS A 33 -8.702 -7.135 -5.907 1.00 0.00 C ATOM 486 C LYS A 33 -7.209 -7.416 -5.863 1.00 0.00 C ATOM 487 O LYS A 33 -6.443 -6.846 -6.644 1.00 0.00 O ATOM 488 CB LYS A 33 -9.429 -8.201 -6.731 1.00 0.00 C ATOM 489 CG LYS A 33 -10.947 -8.081 -6.682 1.00 0.00 C ATOM 490 CD LYS A 33 -11.619 -9.172 -7.498 1.00 0.00 C ATOM 491 CE LYS A 33 -13.142 -9.083 -7.421 1.00 0.00 C ATOM 492 NZ LYS A 33 -13.668 -7.820 -8.004 1.00 0.00 N ATOM 0 H LYS A 33 -9.134 -5.794 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.091 -7.171 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.101 -8.133 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.139 -9.188 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.284 -8.139 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.248 -7.104 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.303 -9.095 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.293 -10.148 -7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.580 -9.932 -7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.455 -9.157 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.706 -7.865 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.384 -7.017 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.283 -7.693 -8.962 1.00 0.00 H new ATOM 506 N GLY A 34 -6.798 -8.280 -4.946 1.00 0.00 N ATOM 507 CA GLY A 34 -5.394 -8.613 -4.820 1.00 0.00 C ATOM 508 C GLY A 34 -4.726 -7.887 -3.676 1.00 0.00 C ATOM 509 O GLY A 34 -3.501 -7.948 -3.521 1.00 0.00 O ATOM 0 H GLY A 34 -7.413 -8.757 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.291 -9.688 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.881 -8.368 -5.750 1.00 0.00 H new ATOM 513 N ILE A 35 -5.521 -7.200 -2.869 1.00 0.00 N ATOM 514 CA ILE A 35 -4.991 -6.461 -1.739 1.00 0.00 C ATOM 515 C ILE A 35 -5.060 -7.298 -0.470 1.00 0.00 C ATOM 516 O ILE A 35 -6.041 -8.004 -0.231 1.00 0.00 O ATOM 517 CB ILE A 35 -5.736 -5.121 -1.515 1.00 0.00 C ATOM 518 CG1 ILE A 35 -7.222 -5.365 -1.216 1.00 0.00 C ATOM 519 CG2 ILE A 35 -5.573 -4.221 -2.735 1.00 0.00 C ATOM 520 CD1 ILE A 35 -7.969 -4.127 -0.772 1.00 0.00 C ATOM 0 H ILE A 35 -6.533 -7.141 -2.978 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.951 -6.234 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.298 -4.621 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.701 -5.766 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.306 -6.126 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.100 -3.282 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.515 -4.019 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.987 -4.718 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.012 -4.380 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.517 -3.736 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.918 -3.371 -1.555 1.00 0.00 H new ATOM 532 N ILE A 36 -4.013 -7.237 0.331 1.00 0.00 N ATOM 533 CA ILE A 36 -3.963 -8.008 1.556 1.00 0.00 C ATOM 534 C ILE A 36 -4.326 -7.146 2.764 1.00 0.00 C ATOM 535 O ILE A 36 -5.309 -7.411 3.450 1.00 0.00 O ATOM 536 CB ILE A 36 -2.562 -8.641 1.774 1.00 0.00 C ATOM 537 CG1 ILE A 36 -2.148 -9.488 0.556 1.00 0.00 C ATOM 538 CG2 ILE A 36 -2.545 -9.487 3.042 1.00 0.00 C ATOM 539 CD1 ILE A 36 -3.089 -10.640 0.249 1.00 0.00 C ATOM 0 H ILE A 36 -3.188 -6.663 0.155 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.696 -8.809 1.457 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.840 -7.832 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.087 -8.840 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.148 -9.886 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.554 -9.921 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.786 -8.860 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.283 -10.285 2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.725 -11.185 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.132 -11.313 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.086 -10.250 0.043 1.00 0.00 H new ATOM 551 N SER A 37 -3.536 -6.115 3.017 1.00 0.00 N ATOM 552 CA SER A 37 -3.770 -5.241 4.157 1.00 0.00 C ATOM 553 C SER A 37 -3.364 -3.803 3.836 1.00 0.00 C ATOM 554 O SER A 37 -2.518 -3.568 2.972 1.00 0.00 O ATOM 555 CB SER A 37 -2.997 -5.751 5.375 1.00 0.00 C ATOM 556 OG SER A 37 -3.380 -7.084 5.696 1.00 0.00 O ATOM 0 H SER A 37 -2.727 -5.862 2.449 1.00 0.00 H new ATOM 0 HA SER A 37 -4.836 -5.249 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.926 -5.714 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.183 -5.099 6.228 1.00 0.00 H new ATOM 0 HG SER A 37 -2.873 -7.391 6.476 1.00 0.00 H new ATOM 562 N MET A 38 -3.976 -2.849 4.519 1.00 0.00 N ATOM 563 CA MET A 38 -3.651 -1.445 4.326 1.00 0.00 C ATOM 564 C MET A 38 -3.770 -0.683 5.638 1.00 0.00 C ATOM 565 O MET A 38 -4.756 -0.830 6.358 1.00 0.00 O ATOM 566 CB MET A 38 -4.584 -0.822 3.279 1.00 0.00 C ATOM 567 CG MET A 38 -4.318 0.654 3.009 1.00 0.00 C ATOM 568 SD MET A 38 -5.414 1.334 1.750 1.00 0.00 S ATOM 569 CE MET A 38 -4.840 3.028 1.669 1.00 0.00 C ATOM 0 H MET A 38 -4.702 -3.022 5.214 1.00 0.00 H new ATOM 0 HA MET A 38 -2.622 -1.378 3.973 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.485 -1.375 2.345 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.615 -0.940 3.611 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.440 1.217 3.934 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.283 0.781 2.692 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.994 3.417 0.662 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.398 3.636 2.382 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.778 3.065 1.913 1.00 0.00 H new ATOM 579 N LYS A 39 -2.766 0.116 5.952 1.00 0.00 N ATOM 580 CA LYS A 39 -2.808 0.953 7.137 1.00 0.00 C ATOM 581 C LYS A 39 -2.537 2.391 6.749 1.00 0.00 C ATOM 582 O LYS A 39 -1.549 2.681 6.078 1.00 0.00 O ATOM 583 CB LYS A 39 -1.783 0.511 8.190 1.00 0.00 C ATOM 584 CG LYS A 39 -1.887 1.320 9.482 1.00 0.00 C ATOM 585 CD LYS A 39 -0.858 0.909 10.524 1.00 0.00 C ATOM 586 CE LYS A 39 0.546 1.327 10.121 1.00 0.00 C ATOM 587 NZ LYS A 39 1.528 1.066 11.200 1.00 0.00 N ATOM 0 H LYS A 39 -1.911 0.203 5.402 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.801 0.856 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.929 -0.546 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.778 0.614 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.761 2.378 9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.887 1.201 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.111 1.360 11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.891 -0.172 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.842 0.787 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.552 2.388 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.474 1.364 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.259 1.601 12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.540 0.050 11.420 1.00 0.00 H new ATOM 601 N VAL A 40 -3.400 3.286 7.166 1.00 0.00 N ATOM 602 CA VAL A 40 -3.238 4.685 6.843 1.00 0.00 C ATOM 603 C VAL A 40 -2.800 5.463 8.070 1.00 0.00 C ATOM 604 O VAL A 40 -3.459 5.423 9.111 1.00 0.00 O ATOM 605 CB VAL A 40 -4.549 5.300 6.299 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.357 6.775 5.970 1.00 0.00 C ATOM 607 CG2 VAL A 40 -5.035 4.536 5.076 1.00 0.00 C ATOM 0 H VAL A 40 -4.222 3.071 7.730 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.474 4.751 6.068 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.310 5.220 7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.291 7.187 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.063 7.314 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.579 6.881 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.958 4.985 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.276 4.579 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.220 3.496 5.346 1.00 0.00 H new ATOM 617 N SER A 41 -1.686 6.147 7.955 1.00 0.00 N ATOM 618 CA SER A 41 -1.195 6.967 9.028 1.00 0.00 C ATOM 619 C SER A 41 -1.594 8.419 8.760 1.00 0.00 C ATOM 620 O SER A 41 -0.958 9.112 7.968 1.00 0.00 O ATOM 621 CB SER A 41 0.324 6.826 9.126 1.00 0.00 C ATOM 622 OG SER A 41 0.699 5.458 9.257 1.00 0.00 O ATOM 0 H SER A 41 -1.101 6.149 7.120 1.00 0.00 H new ATOM 0 HA SER A 41 -1.628 6.650 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.791 7.252 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.692 7.392 9.982 1.00 0.00 H new ATOM 0 HG SER A 41 1.675 5.391 9.316 1.00 0.00 H new ATOM 628 N LEU A 42 -2.664 8.859 9.411 1.00 0.00 N ATOM 629 CA LEU A 42 -3.216 10.195 9.191 1.00 0.00 C ATOM 630 C LEU A 42 -2.244 11.293 9.609 1.00 0.00 C ATOM 631 O LEU A 42 -2.121 12.312 8.929 1.00 0.00 O ATOM 632 CB LEU A 42 -4.537 10.350 9.948 1.00 0.00 C ATOM 633 CG LEU A 42 -5.692 9.469 9.461 1.00 0.00 C ATOM 634 CD1 LEU A 42 -6.898 9.621 10.371 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.062 9.807 8.022 1.00 0.00 C ATOM 0 H LEU A 42 -3.172 8.307 10.102 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.393 10.303 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.358 10.133 11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.849 11.393 9.886 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.364 8.430 9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.709 8.988 10.010 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.629 9.323 11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.223 10.661 10.373 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.884 9.169 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.368 10.851 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.199 9.643 7.376 1.00 0.00 H new ATOM 647 N GLU A 43 -1.564 11.081 10.723 1.00 0.00 N ATOM 648 CA GLU A 43 -0.614 12.055 11.243 1.00 0.00 C ATOM 649 C GLU A 43 0.616 12.150 10.344 1.00 0.00 C ATOM 650 O GLU A 43 1.161 13.232 10.125 1.00 0.00 O ATOM 651 CB GLU A 43 -0.205 11.688 12.667 1.00 0.00 C ATOM 652 CG GLU A 43 -1.357 11.726 13.656 1.00 0.00 C ATOM 653 CD GLU A 43 -0.930 11.379 15.062 1.00 0.00 C ATOM 654 OE1 GLU A 43 -0.472 10.238 15.291 1.00 0.00 O ATOM 655 OE2 GLU A 43 -1.043 12.248 15.945 1.00 0.00 O ATOM 0 H GLU A 43 -1.652 10.237 11.290 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.100 13.031 11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.230 10.688 12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.574 12.374 13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.802 12.721 13.651 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.131 11.029 13.333 1.00 0.00 H new ATOM 662 N GLN A 44 1.049 11.006 9.834 1.00 0.00 N ATOM 663 CA GLN A 44 2.210 10.939 8.952 1.00 0.00 C ATOM 664 C GLN A 44 1.865 11.465 7.560 1.00 0.00 C ATOM 665 O GLN A 44 2.717 12.012 6.857 1.00 0.00 O ATOM 666 CB GLN A 44 2.704 9.489 8.850 1.00 0.00 C ATOM 667 CG GLN A 44 3.970 9.309 8.021 1.00 0.00 C ATOM 668 CD GLN A 44 4.440 7.862 7.972 1.00 0.00 C ATOM 669 OE1 GLN A 44 3.636 6.926 8.047 1.00 0.00 O ATOM 670 NE2 GLN A 44 5.737 7.669 7.837 1.00 0.00 N ATOM 0 H GLN A 44 0.611 10.103 10.017 1.00 0.00 H new ATOM 0 HA GLN A 44 2.998 11.563 9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.886 9.109 9.855 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.912 8.878 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.788 9.662 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.763 9.930 8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.368 8.468 7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.109 6.721 7.791 1.00 0.00 H new ATOM 679 N GLY A 45 0.610 11.303 7.173 1.00 0.00 N ATOM 680 CA GLY A 45 0.184 11.704 5.850 1.00 0.00 C ATOM 681 C GLY A 45 0.592 10.676 4.820 1.00 0.00 C ATOM 682 O GLY A 45 0.587 10.939 3.619 1.00 0.00 O ATOM 0 H GLY A 45 -0.124 10.899 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.898 11.831 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.622 12.670 5.599 1.00 0.00 H new ATOM 686 N SER A 46 0.956 9.501 5.305 1.00 0.00 N ATOM 687 CA SER A 46 1.396 8.414 4.461 1.00 0.00 C ATOM 688 C SER A 46 0.671 7.131 4.839 1.00 0.00 C ATOM 689 O SER A 46 0.209 6.981 5.970 1.00 0.00 O ATOM 690 CB SER A 46 2.907 8.225 4.595 1.00 0.00 C ATOM 691 OG SER A 46 3.596 9.415 4.250 1.00 0.00 O ATOM 0 H SER A 46 0.953 9.278 6.300 1.00 0.00 H new ATOM 0 HA SER A 46 1.162 8.656 3.424 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.153 7.941 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.235 7.410 3.950 1.00 0.00 H new ATOM 0 HG SER A 46 4.561 9.273 4.344 1.00 0.00 H new ATOM 697 N ALA A 47 0.551 6.228 3.896 1.00 0.00 N ATOM 698 CA ALA A 47 -0.103 4.965 4.142 1.00 0.00 C ATOM 699 C ALA A 47 0.803 3.801 3.770 1.00 0.00 C ATOM 700 O ALA A 47 1.557 3.876 2.801 1.00 0.00 O ATOM 701 CB ALA A 47 -1.410 4.889 3.366 1.00 0.00 C ATOM 0 H ALA A 47 0.900 6.345 2.945 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.322 4.896 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.893 3.932 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.068 5.698 3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.206 4.983 2.299 1.00 0.00 H new ATOM 707 N THR A 48 0.726 2.740 4.548 1.00 0.00 N ATOM 708 CA THR A 48 1.480 1.532 4.290 1.00 0.00 C ATOM 709 C THR A 48 0.543 0.513 3.667 1.00 0.00 C ATOM 710 O THR A 48 -0.516 0.206 4.230 1.00 0.00 O ATOM 711 CB THR A 48 2.060 0.950 5.600 1.00 0.00 C ATOM 712 OG1 THR A 48 2.904 1.922 6.233 1.00 0.00 O ATOM 713 CG2 THR A 48 2.872 -0.308 5.320 1.00 0.00 C ATOM 0 H THR A 48 0.137 2.692 5.379 1.00 0.00 H new ATOM 0 HA THR A 48 2.309 1.763 3.622 1.00 0.00 H new ATOM 0 HB THR A 48 1.228 0.696 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.267 1.549 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.270 -0.700 6.256 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.232 -1.058 4.856 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.696 -0.067 4.648 1.00 0.00 H new ATOM 721 N VAL A 49 0.911 -0.001 2.520 1.00 0.00 N ATOM 722 CA VAL A 49 0.062 -0.939 1.824 1.00 0.00 C ATOM 723 C VAL A 49 0.731 -2.291 1.677 1.00 0.00 C ATOM 724 O VAL A 49 1.961 -2.387 1.583 1.00 0.00 O ATOM 725 CB VAL A 49 -0.340 -0.408 0.422 1.00 0.00 C ATOM 726 CG1 VAL A 49 -1.187 0.850 0.545 1.00 0.00 C ATOM 727 CG2 VAL A 49 0.898 -0.131 -0.427 1.00 0.00 C ATOM 0 H VAL A 49 1.790 0.213 2.048 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.837 -1.055 2.429 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.933 -1.177 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.458 1.205 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.092 0.625 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.619 1.622 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.593 0.240 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.518 0.617 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.468 -1.052 -0.550 1.00 0.00 H new ATOM 737 N LYS A 50 -0.086 -3.332 1.703 1.00 0.00 N ATOM 738 CA LYS A 50 0.367 -4.694 1.518 1.00 0.00 C ATOM 739 C LYS A 50 -0.540 -5.397 0.531 1.00 0.00 C ATOM 740 O LYS A 50 -1.720 -5.625 0.815 1.00 0.00 O ATOM 741 CB LYS A 50 0.358 -5.458 2.847 1.00 0.00 C ATOM 742 CG LYS A 50 1.337 -4.930 3.873 1.00 0.00 C ATOM 743 CD LYS A 50 1.282 -5.736 5.158 1.00 0.00 C ATOM 744 CE LYS A 50 2.264 -5.204 6.182 1.00 0.00 C ATOM 745 NZ LYS A 50 2.224 -5.977 7.448 1.00 0.00 N ATOM 0 H LYS A 50 -1.091 -3.250 1.855 1.00 0.00 H new ATOM 0 HA LYS A 50 1.388 -4.670 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.647 -5.421 3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.584 -6.506 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.347 -4.962 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.113 -3.885 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.272 -5.704 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.506 -6.781 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.272 -5.238 5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.040 -4.158 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.911 -5.579 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.269 -5.924 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.464 -6.971 7.256 1.00 0.00 H new ATOM 759 N TYR A 51 -0.008 -5.728 -0.618 1.00 0.00 N ATOM 760 CA TYR A 51 -0.773 -6.416 -1.637 1.00 0.00 C ATOM 761 C TYR A 51 0.134 -7.119 -2.616 1.00 0.00 C ATOM 762 O TYR A 51 1.352 -6.944 -2.573 1.00 0.00 O ATOM 763 CB TYR A 51 -1.745 -5.470 -2.362 1.00 0.00 C ATOM 764 CG TYR A 51 -1.116 -4.269 -3.035 1.00 0.00 C ATOM 765 CD1 TYR A 51 -0.518 -4.374 -4.281 1.00 0.00 C ATOM 766 CD2 TYR A 51 -1.165 -3.018 -2.437 1.00 0.00 C ATOM 767 CE1 TYR A 51 0.015 -3.269 -4.911 1.00 0.00 C ATOM 768 CE2 TYR A 51 -0.628 -1.912 -3.058 1.00 0.00 C ATOM 769 CZ TYR A 51 -0.043 -2.042 -4.295 1.00 0.00 C ATOM 770 OH TYR A 51 0.474 -0.940 -4.923 1.00 0.00 O ATOM 0 H TYR A 51 0.959 -5.532 -0.876 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.375 -7.172 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.286 -6.043 -3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.482 -5.115 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.469 -5.337 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.632 -2.910 -1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.475 -3.367 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.666 -0.947 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 51 0.352 -0.152 -4.354 1.00 0.00 H new ATOM 780 N VAL A 52 -0.454 -7.936 -3.475 1.00 0.00 N ATOM 781 CA VAL A 52 0.309 -8.657 -4.473 1.00 0.00 C ATOM 782 C VAL A 52 0.606 -7.734 -5.655 1.00 0.00 C ATOM 783 O VAL A 52 -0.313 -7.315 -6.366 1.00 0.00 O ATOM 784 CB VAL A 52 -0.464 -9.899 -4.985 1.00 0.00 C ATOM 785 CG1 VAL A 52 0.377 -10.693 -5.974 1.00 0.00 C ATOM 786 CG2 VAL A 52 -0.912 -10.777 -3.827 1.00 0.00 C ATOM 0 H VAL A 52 -1.458 -8.114 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 52 1.237 -8.992 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.355 -9.548 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.188 -11.559 -6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.629 -10.062 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.293 -11.027 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.452 -11.641 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.040 -11.115 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.566 -10.205 -3.169 1.00 0.00 H new ATOM 796 N PRO A 53 1.895 -7.416 -5.892 1.00 0.00 N ATOM 797 CA PRO A 53 2.303 -6.508 -6.974 1.00 0.00 C ATOM 798 C PRO A 53 2.012 -7.088 -8.354 1.00 0.00 C ATOM 799 O PRO A 53 1.899 -6.356 -9.338 1.00 0.00 O ATOM 800 CB PRO A 53 3.811 -6.343 -6.759 1.00 0.00 C ATOM 801 CG PRO A 53 4.219 -7.558 -6.005 1.00 0.00 C ATOM 802 CD PRO A 53 3.052 -7.911 -5.127 1.00 0.00 C ATOM 0 HA PRO A 53 1.757 -5.565 -6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.341 -6.270 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.034 -5.435 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.458 -8.377 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.112 -7.366 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.990 -8.985 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.124 -7.433 -4.150 1.00 0.00 H new ATOM 810 N SER A 54 1.916 -8.404 -8.420 1.00 0.00 N ATOM 811 CA SER A 54 1.590 -9.081 -9.653 1.00 0.00 C ATOM 812 C SER A 54 0.163 -8.737 -10.097 1.00 0.00 C ATOM 813 O SER A 54 -0.105 -8.569 -11.287 1.00 0.00 O ATOM 814 CB SER A 54 1.761 -10.591 -9.484 1.00 0.00 C ATOM 815 OG SER A 54 3.117 -10.911 -9.187 1.00 0.00 O ATOM 0 H SER A 54 2.061 -9.026 -7.624 1.00 0.00 H new ATOM 0 HA SER A 54 2.274 -8.742 -10.431 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.113 -10.949 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.452 -11.102 -10.396 1.00 0.00 H new ATOM 0 HG SER A 54 3.208 -11.881 -9.080 1.00 0.00 H new ATOM 821 N VAL A 55 -0.753 -8.654 -9.132 1.00 0.00 N ATOM 822 CA VAL A 55 -2.136 -8.320 -9.431 1.00 0.00 C ATOM 823 C VAL A 55 -2.269 -6.830 -9.756 1.00 0.00 C ATOM 824 O VAL A 55 -2.832 -6.451 -10.790 1.00 0.00 O ATOM 825 CB VAL A 55 -3.069 -8.679 -8.254 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.503 -8.317 -8.581 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.957 -10.153 -7.912 1.00 0.00 C ATOM 0 H VAL A 55 -0.559 -8.813 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.435 -8.907 -10.299 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.758 -8.101 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.145 -8.578 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.573 -7.246 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.824 -8.866 -9.466 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.622 -10.385 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.238 -10.750 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.930 -10.384 -7.630 1.00 0.00 H new ATOM 837 N VAL A 56 -1.733 -5.993 -8.876 1.00 0.00 N ATOM 838 CA VAL A 56 -1.740 -4.549 -9.070 1.00 0.00 C ATOM 839 C VAL A 56 -0.393 -3.958 -8.698 1.00 0.00 C ATOM 840 O VAL A 56 0.293 -4.465 -7.819 1.00 0.00 O ATOM 841 CB VAL A 56 -2.864 -3.837 -8.254 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.235 -4.189 -8.793 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.779 -4.198 -6.782 1.00 0.00 C ATOM 0 H VAL A 56 -1.283 -6.295 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.942 -4.378 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.714 -2.763 -8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.999 -3.679 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.308 -3.875 -9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.386 -5.266 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.573 -3.689 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.891 -5.276 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.811 -3.889 -6.387 1.00 0.00 H new ATOM 853 N CYS A 57 -0.024 -2.888 -9.359 1.00 0.00 N ATOM 854 CA CYS A 57 1.243 -2.237 -9.100 1.00 0.00 C ATOM 855 C CYS A 57 1.054 -1.016 -8.199 1.00 0.00 C ATOM 856 O CYS A 57 -0.078 -0.622 -7.898 1.00 0.00 O ATOM 857 CB CYS A 57 1.898 -1.843 -10.422 1.00 0.00 C ATOM 858 SG CYS A 57 0.882 -0.772 -11.458 1.00 0.00 S ATOM 0 H CYS A 57 -0.586 -2.445 -10.086 1.00 0.00 H new ATOM 0 HA CYS A 57 1.898 -2.934 -8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.841 -1.338 -10.212 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.138 -2.748 -10.980 1.00 0.00 H new ATOM 0 HG CYS A 57 1.524 -0.492 -12.553 1.00 0.00 H new ATOM 864 N LEU A 58 2.158 -0.428 -7.760 1.00 0.00 N ATOM 865 CA LEU A 58 2.113 0.753 -6.894 1.00 0.00 C ATOM 866 C LEU A 58 1.494 1.937 -7.641 1.00 0.00 C ATOM 867 O LEU A 58 0.676 2.695 -7.098 1.00 0.00 O ATOM 868 CB LEU A 58 3.526 1.105 -6.421 1.00 0.00 C ATOM 869 CG LEU A 58 4.201 0.074 -5.510 1.00 0.00 C ATOM 870 CD1 LEU A 58 5.644 0.464 -5.239 1.00 0.00 C ATOM 871 CD2 LEU A 58 3.437 -0.070 -4.205 1.00 0.00 C ATOM 0 H LEU A 58 3.100 -0.747 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 58 1.493 0.530 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.156 1.254 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.485 2.057 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 58 4.194 -0.889 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.106 -0.280 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.190 0.514 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.672 1.438 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.933 -0.807 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.411 0.891 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.419 -0.398 -4.414 1.00 0.00 H new ATOM 883 N GLN A 59 1.864 2.074 -8.899 1.00 0.00 N ATOM 884 CA GLN A 59 1.334 3.131 -9.736 1.00 0.00 C ATOM 885 C GLN A 59 -0.141 2.897 -10.017 1.00 0.00 C ATOM 886 O GLN A 59 -0.896 3.840 -10.244 1.00 0.00 O ATOM 887 CB GLN A 59 2.116 3.236 -11.042 1.00 0.00 C ATOM 888 CG GLN A 59 3.537 3.747 -10.863 1.00 0.00 C ATOM 889 CD GLN A 59 4.343 3.691 -12.143 1.00 0.00 C ATOM 890 OE1 GLN A 59 4.109 2.846 -13.002 1.00 0.00 O ATOM 891 NE2 GLN A 59 5.301 4.582 -12.275 1.00 0.00 N ATOM 0 H GLN A 59 2.534 1.462 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 59 1.441 4.074 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.149 2.255 -11.516 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.583 3.901 -11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.506 4.775 -10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.038 3.155 -10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.464 5.268 -11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.881 4.587 -13.114 1.00 0.00 H new ATOM 900 N GLN A 60 -0.553 1.628 -9.979 1.00 0.00 N ATOM 901 CA GLN A 60 -1.934 1.271 -10.250 1.00 0.00 C ATOM 902 C GLN A 60 -2.856 1.939 -9.254 1.00 0.00 C ATOM 903 O GLN A 60 -3.845 2.535 -9.645 1.00 0.00 O ATOM 904 CB GLN A 60 -2.126 -0.250 -10.199 1.00 0.00 C ATOM 905 CG GLN A 60 -3.544 -0.710 -10.514 1.00 0.00 C ATOM 906 CD GLN A 60 -3.975 -0.345 -11.921 1.00 0.00 C ATOM 907 OE1 GLN A 60 -3.156 -0.287 -12.840 1.00 0.00 O ATOM 908 NE2 GLN A 60 -5.256 -0.107 -12.100 1.00 0.00 N ATOM 0 H GLN A 60 0.054 0.837 -9.763 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.181 1.618 -11.253 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.439 -0.716 -10.906 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.852 -0.607 -9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.608 -1.791 -10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.235 -0.263 -9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.901 -0.166 -11.312 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.605 0.136 -13.027 1.00 0.00 H new ATOM 917 N VAL A 61 -2.491 1.879 -7.968 1.00 0.00 N ATOM 918 CA VAL A 61 -3.313 2.489 -6.908 1.00 0.00 C ATOM 919 C VAL A 61 -3.176 4.012 -6.926 1.00 0.00 C ATOM 920 O VAL A 61 -4.095 4.752 -6.520 1.00 0.00 O ATOM 921 CB VAL A 61 -2.979 1.932 -5.494 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.201 0.428 -5.445 1.00 0.00 C ATOM 923 CG2 VAL A 61 -1.557 2.277 -5.076 1.00 0.00 C ATOM 0 H VAL A 61 -1.643 1.421 -7.635 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.348 2.220 -7.121 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.656 2.408 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.962 0.057 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.243 0.206 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.557 -0.059 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.361 1.871 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.854 1.847 -5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.436 3.360 -5.055 1.00 0.00 H new ATOM 933 N CYS A 62 -2.037 4.475 -7.425 1.00 0.00 N ATOM 934 CA CYS A 62 -1.786 5.895 -7.575 1.00 0.00 C ATOM 935 C CYS A 62 -2.805 6.510 -8.532 1.00 0.00 C ATOM 936 O CYS A 62 -3.244 7.644 -8.344 1.00 0.00 O ATOM 937 CB CYS A 62 -0.364 6.143 -8.078 1.00 0.00 C ATOM 938 SG CYS A 62 0.923 5.751 -6.870 1.00 0.00 S ATOM 0 H CYS A 62 -1.269 3.879 -7.734 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.889 6.370 -6.599 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.198 5.548 -8.976 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.269 7.190 -8.367 1.00 0.00 H new ATOM 0 HG CYS A 62 1.036 4.461 -6.759 1.00 0.00 H new ATOM 944 N HIS A 63 -3.179 5.756 -9.562 1.00 0.00 N ATOM 945 CA HIS A 63 -4.129 6.248 -10.554 1.00 0.00 C ATOM 946 C HIS A 63 -5.480 6.595 -9.928 1.00 0.00 C ATOM 947 O HIS A 63 -6.078 7.602 -10.285 1.00 0.00 O ATOM 948 CB HIS A 63 -4.337 5.243 -11.694 1.00 0.00 C ATOM 949 CG HIS A 63 -3.145 5.063 -12.578 1.00 0.00 C ATOM 950 ND1 HIS A 63 -2.573 6.094 -13.290 1.00 0.00 N ATOM 951 CD2 HIS A 63 -2.418 3.963 -12.871 1.00 0.00 C ATOM 952 CE1 HIS A 63 -1.545 5.634 -13.978 1.00 0.00 C ATOM 953 NE2 HIS A 63 -1.431 4.346 -13.740 1.00 0.00 N ATOM 0 H HIS A 63 -2.841 4.808 -9.731 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.692 7.158 -10.965 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.608 4.277 -11.267 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.180 5.570 -12.302 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.584 2.966 -12.491 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.906 6.216 -14.626 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.722 3.731 -14.138 1.00 0.00 H new ATOM 961 N GLN A 64 -5.961 5.772 -8.989 1.00 0.00 N ATOM 962 CA GLN A 64 -7.262 6.038 -8.364 1.00 0.00 C ATOM 963 C GLN A 64 -7.261 7.324 -7.563 1.00 0.00 C ATOM 964 O GLN A 64 -8.233 8.082 -7.603 1.00 0.00 O ATOM 965 CB GLN A 64 -7.752 4.876 -7.493 1.00 0.00 C ATOM 966 CG GLN A 64 -8.164 3.641 -8.294 1.00 0.00 C ATOM 967 CD GLN A 64 -6.986 2.877 -8.812 1.00 0.00 C ATOM 968 OE1 GLN A 64 -5.966 2.806 -8.158 1.00 0.00 O ATOM 969 NE2 GLN A 64 -7.114 2.313 -9.992 1.00 0.00 N ATOM 0 H GLN A 64 -5.483 4.936 -8.651 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.962 6.150 -9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.963 4.599 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.601 5.212 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.769 2.988 -7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.792 3.947 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.991 2.399 -10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.337 1.789 -10.394 1.00 0.00 H new ATOM 978 N ILE A 65 -6.187 7.583 -6.830 1.00 0.00 N ATOM 979 CA ILE A 65 -6.128 8.816 -6.063 1.00 0.00 C ATOM 980 C ILE A 65 -5.918 10.020 -6.994 1.00 0.00 C ATOM 981 O ILE A 65 -6.501 11.091 -6.783 1.00 0.00 O ATOM 982 CB ILE A 65 -5.062 8.777 -4.930 1.00 0.00 C ATOM 983 CG1 ILE A 65 -5.224 9.991 -4.013 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.648 8.707 -5.491 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.408 9.911 -2.746 1.00 0.00 C ATOM 0 H ILE A 65 -5.370 6.977 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.090 8.927 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.223 7.870 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.939 10.889 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.276 10.098 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.932 8.681 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.540 7.806 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.459 9.584 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.575 10.807 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.708 9.032 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.350 9.836 -2.999 1.00 0.00 H new ATOM 997 N GLY A 66 -5.116 9.815 -8.046 1.00 0.00 N ATOM 998 CA GLY A 66 -4.890 10.851 -9.040 1.00 0.00 C ATOM 999 C GLY A 66 -6.175 11.226 -9.744 1.00 0.00 C ATOM 1000 O GLY A 66 -6.423 12.397 -10.033 1.00 0.00 O ATOM 0 H GLY A 66 -4.618 8.943 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.465 11.732 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.160 10.504 -9.771 1.00 0.00 H new ATOM 1004 N ASP A 67 -6.997 10.214 -10.004 1.00 0.00 N ATOM 1005 CA ASP A 67 -8.304 10.382 -10.641 1.00 0.00 C ATOM 1006 C ASP A 67 -9.180 11.330 -9.839 1.00 0.00 C ATOM 1007 O ASP A 67 -9.939 12.117 -10.400 1.00 0.00 O ATOM 1008 CB ASP A 67 -8.994 9.021 -10.787 1.00 0.00 C ATOM 1009 CG ASP A 67 -10.396 9.125 -11.348 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -10.549 9.504 -12.527 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -11.358 8.814 -10.606 1.00 0.00 O ATOM 0 H ASP A 67 -6.775 9.245 -9.777 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.152 10.814 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.395 8.384 -11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.034 8.534 -9.813 1.00 0.00 H new ATOM 1016 N MET A 68 -9.066 11.249 -8.525 1.00 0.00 N ATOM 1017 CA MET A 68 -9.836 12.102 -7.627 1.00 0.00 C ATOM 1018 C MET A 68 -9.291 13.532 -7.606 1.00 0.00 C ATOM 1019 O MET A 68 -9.899 14.426 -7.019 1.00 0.00 O ATOM 1020 CB MET A 68 -9.848 11.526 -6.213 1.00 0.00 C ATOM 1021 CG MET A 68 -10.556 10.188 -6.101 1.00 0.00 C ATOM 1022 SD MET A 68 -12.269 10.249 -6.675 1.00 0.00 S ATOM 1023 CE MET A 68 -12.990 11.409 -5.508 1.00 0.00 C ATOM 0 H MET A 68 -8.443 10.596 -8.050 1.00 0.00 H new ATOM 0 HA MET A 68 -10.858 12.134 -8.005 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.820 11.412 -5.869 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.331 12.239 -5.545 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.010 9.444 -6.681 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.538 9.859 -5.062 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.986 11.069 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.362 11.469 -4.619 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.060 12.394 -5.970 1.00 0.00 H new ATOM 1033 N GLY A 69 -8.146 13.741 -8.244 1.00 0.00 N ATOM 1034 CA GLY A 69 -7.554 15.065 -8.289 1.00 0.00 C ATOM 1035 C GLY A 69 -6.548 15.290 -7.183 1.00 0.00 C ATOM 1036 O GLY A 69 -6.091 16.416 -6.964 1.00 0.00 O ATOM 0 H GLY A 69 -7.617 13.018 -8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.066 15.208 -9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.342 15.814 -8.216 1.00 0.00 H new ATOM 1040 N PHE A 70 -6.204 14.231 -6.484 1.00 0.00 N ATOM 1041 CA PHE A 70 -5.248 14.313 -5.399 1.00 0.00 C ATOM 1042 C PHE A 70 -3.972 13.585 -5.773 1.00 0.00 C ATOM 1043 O PHE A 70 -4.002 12.603 -6.509 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.839 13.738 -4.114 1.00 0.00 C ATOM 1045 CG PHE A 70 -7.031 14.502 -3.605 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.862 15.612 -2.795 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -8.319 14.108 -3.934 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.952 16.314 -2.321 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.414 14.806 -3.463 1.00 0.00 C ATOM 1050 CZ PHE A 70 -9.230 15.912 -2.656 1.00 0.00 C ATOM 0 H PHE A 70 -6.575 13.295 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.012 15.362 -5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.130 12.702 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.069 13.727 -3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.865 15.933 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.468 13.245 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.805 17.177 -1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.412 14.488 -3.725 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.084 16.461 -2.288 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.857 14.070 -5.283 1.00 0.00 N ATOM 1061 CA GLU A 71 -1.583 13.488 -5.624 1.00 0.00 C ATOM 1062 C GLU A 71 -1.006 12.684 -4.481 1.00 0.00 C ATOM 1063 O GLU A 71 -1.270 12.960 -3.310 1.00 0.00 O ATOM 1064 CB GLU A 71 -0.606 14.564 -6.065 1.00 0.00 C ATOM 1065 CG GLU A 71 -1.052 15.304 -7.307 1.00 0.00 C ATOM 1066 CD GLU A 71 -0.063 16.346 -7.741 1.00 0.00 C ATOM 1067 OE1 GLU A 71 -0.076 17.454 -7.172 1.00 0.00 O ATOM 1068 OE2 GLU A 71 0.734 16.065 -8.657 1.00 0.00 O ATOM 0 H GLU A 71 -2.806 14.866 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.750 12.802 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.472 15.279 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.366 14.108 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.202 14.590 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.015 15.778 -7.117 1.00 0.00 H new ATOM 1075 N ALA A 72 -0.224 11.689 -4.831 1.00 0.00 N ATOM 1076 CA ALA A 72 0.408 10.828 -3.863 1.00 0.00 C ATOM 1077 C ALA A 72 1.781 10.426 -4.365 1.00 0.00 C ATOM 1078 O ALA A 72 1.990 10.312 -5.571 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.451 9.600 -3.619 1.00 0.00 C ATOM 0 H ALA A 72 -0.009 11.454 -5.800 1.00 0.00 H new ATOM 0 HA ALA A 72 0.519 11.362 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.035 8.956 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.426 9.907 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.579 9.054 -4.554 1.00 0.00 H new ATOM 1085 N SER A 73 2.714 10.214 -3.458 1.00 0.00 N ATOM 1086 CA SER A 73 4.059 9.859 -3.856 1.00 0.00 C ATOM 1087 C SER A 73 4.487 8.545 -3.216 1.00 0.00 C ATOM 1088 O SER A 73 4.308 8.338 -2.012 1.00 0.00 O ATOM 1089 CB SER A 73 5.032 10.984 -3.493 1.00 0.00 C ATOM 1090 OG SER A 73 6.350 10.691 -3.924 1.00 0.00 O ATOM 0 H SER A 73 2.567 10.281 -2.451 1.00 0.00 H new ATOM 0 HA SER A 73 4.074 9.723 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.698 11.916 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.027 11.137 -2.414 1.00 0.00 H new ATOM 0 HG SER A 73 6.946 11.429 -3.679 1.00 0.00 H new ATOM 1096 N ILE A 74 5.044 7.668 -4.034 1.00 0.00 N ATOM 1097 CA ILE A 74 5.510 6.360 -3.593 1.00 0.00 C ATOM 1098 C ILE A 74 6.863 6.488 -2.900 1.00 0.00 C ATOM 1099 O ILE A 74 7.781 7.134 -3.420 1.00 0.00 O ATOM 1100 CB ILE A 74 5.654 5.400 -4.799 1.00 0.00 C ATOM 1101 CG1 ILE A 74 4.309 5.226 -5.508 1.00 0.00 C ATOM 1102 CG2 ILE A 74 6.199 4.047 -4.351 1.00 0.00 C ATOM 1103 CD1 ILE A 74 4.408 4.498 -6.832 1.00 0.00 C ATOM 0 H ILE A 74 5.187 7.842 -5.029 1.00 0.00 H new ATOM 0 HA ILE A 74 4.776 5.958 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 74 6.363 5.838 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.631 4.679 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.867 6.208 -5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.292 3.388 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.178 4.183 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.517 3.602 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.416 4.413 -7.275 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.060 5.055 -7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.820 3.502 -6.670 1.00 0.00 H new ATOM 1115 N ALA A 75 6.978 5.891 -1.735 1.00 0.00 N ATOM 1116 CA ALA A 75 8.205 5.921 -0.975 1.00 0.00 C ATOM 1117 C ALA A 75 8.405 4.604 -0.246 1.00 0.00 C ATOM 1118 O ALA A 75 7.446 3.878 0.023 1.00 0.00 O ATOM 1119 CB ALA A 75 8.182 7.076 0.016 1.00 0.00 C ATOM 0 H ALA A 75 6.223 5.371 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 75 9.038 6.068 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.113 7.088 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.074 8.017 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.342 6.952 0.700 1.00 0.00 H new ATOM 1125 N GLU A 76 9.633 4.288 0.055 1.00 0.00 N ATOM 1126 CA GLU A 76 9.941 3.079 0.777 1.00 0.00 C ATOM 1127 C GLU A 76 11.192 3.292 1.603 1.00 0.00 C ATOM 1128 O GLU A 76 12.308 3.067 1.072 1.00 0.00 O ATOM 1129 CB GLU A 76 10.136 1.903 -0.177 1.00 0.00 C ATOM 1130 CG GLU A 76 10.097 0.556 0.517 1.00 0.00 C ATOM 1131 CD GLU A 76 10.466 -0.579 -0.397 1.00 0.00 C ATOM 1132 OE1 GLU A 76 9.606 -1.043 -1.170 1.00 0.00 O ATOM 1133 OE2 GLU A 76 11.625 -1.026 -0.339 1.00 0.00 O ATOM 1134 OXT GLU A 76 11.064 3.713 2.761 1.00 0.00 O ATOM 0 H GLU A 76 10.445 4.854 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 76 9.104 2.842 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.360 1.932 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.092 2.013 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.780 0.570 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.097 0.386 0.915 1.00 0.00 H new