USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 473 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 3 HIS : no HE2:sc= 1.14 K(o=2,f=-6.5!) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.886 K(o=2,f=-0.57) USER MOD Set 2.1: A 34 SER OG : rot -171:sc= 0.638 USER MOD Set 2.2: A 39 THR OG1 : rot 77:sc= -0.373 USER MOD Set 3.1: A 11 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0.157 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 176:sc= -0.606 USER MOD Single : A 9 MET CE :methyl 163:sc= -0.937 (180deg=-1.49) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0775 USER MOD Single : A 17 HIS : no HD1:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= 1.2 (180deg=-0.736) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 30 SER OG : rot 180:sc= -0.316 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0139) USER MOD Single : A 48 THR OG1 : rot -158:sc=-0.00244 USER MOD Single : A 49 SER OG : rot 81:sc= 0.145 USER MOD Single : A 54 THR OG1 : rot 77:sc= 0.832 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0333 (180deg=-0.252) USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.925 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -2.508 1.258 -1.614 1.00 0.00 N ATOM 35 CA HIS A 3 -3.563 2.114 -1.082 1.00 0.00 C ATOM 36 C HIS A 3 -3.346 3.548 -1.540 1.00 0.00 C ATOM 37 O HIS A 3 -2.484 4.256 -1.023 1.00 0.00 O ATOM 38 CB HIS A 3 -3.655 2.053 0.453 1.00 0.00 C ATOM 39 CG HIS A 3 -2.355 1.814 1.163 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.017 0.602 1.719 1.00 0.00 N ATOM 41 CD2 HIS A 3 -1.312 2.639 1.404 1.00 0.00 C ATOM 42 CE1 HIS A 3 -0.821 0.691 2.269 1.00 0.00 C ATOM 43 NE2 HIS A 3 -0.367 1.918 2.092 1.00 0.00 N ATOM 0 HA HIS A 3 -4.510 1.742 -1.472 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.080 2.990 0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.351 1.261 0.728 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.600 -0.235 1.708 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.236 3.675 1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.301 -0.106 2.779 1.00 0.00 H new ATOM 52 N LEU A 4 -4.116 3.961 -2.530 1.00 0.00 N ATOM 53 CA LEU A 4 -4.001 5.307 -3.072 1.00 0.00 C ATOM 54 C LEU A 4 -5.052 6.217 -2.461 1.00 0.00 C ATOM 55 O LEU A 4 -6.089 5.749 -1.992 1.00 0.00 O ATOM 56 CB LEU A 4 -4.154 5.303 -4.595 1.00 0.00 C ATOM 57 CG LEU A 4 -3.927 3.959 -5.281 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.103 3.621 -6.180 1.00 0.00 C ATOM 59 CD2 LEU A 4 -2.637 3.983 -6.081 1.00 0.00 C ATOM 0 H LEU A 4 -4.829 3.385 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.008 5.681 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.157 5.651 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.454 6.026 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.843 3.188 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.927 2.660 -6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.013 3.566 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.214 4.394 -6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.490 3.017 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.694 4.763 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.799 4.186 -5.414 1.00 0.00 H new ATOM 71 N LYS A 5 -4.777 7.509 -2.451 1.00 0.00 N ATOM 72 CA LYS A 5 -5.762 8.484 -2.012 1.00 0.00 C ATOM 73 C LYS A 5 -6.655 8.852 -3.186 1.00 0.00 C ATOM 74 O LYS A 5 -6.171 9.079 -4.296 1.00 0.00 O ATOM 75 CB LYS A 5 -5.091 9.738 -1.432 1.00 0.00 C ATOM 76 CG LYS A 5 -3.962 10.287 -2.287 1.00 0.00 C ATOM 77 CD LYS A 5 -3.012 11.148 -1.471 1.00 0.00 C ATOM 78 CE LYS A 5 -2.786 12.499 -2.127 1.00 0.00 C ATOM 79 NZ LYS A 5 -1.361 12.919 -2.047 1.00 0.00 N ATOM 0 H LYS A 5 -3.884 7.907 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.363 8.042 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.845 10.514 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.702 9.504 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.411 9.461 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.377 10.876 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.418 11.291 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.058 10.633 -1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.093 12.452 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.414 13.248 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.246 13.845 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.075 12.988 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.765 12.217 -2.530 1.00 0.00 H new ATOM 93 N ILE A 6 -7.951 8.892 -2.950 1.00 0.00 N ATOM 94 CA ILE A 6 -8.896 9.148 -4.019 1.00 0.00 C ATOM 95 C ILE A 6 -9.354 10.607 -4.002 1.00 0.00 C ATOM 96 O ILE A 6 -9.443 11.237 -2.948 1.00 0.00 O ATOM 97 CB ILE A 6 -10.103 8.173 -3.935 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.364 7.523 -5.305 1.00 0.00 C ATOM 99 CG2 ILE A 6 -11.357 8.860 -3.406 1.00 0.00 C ATOM 100 CD1 ILE A 6 -11.048 8.429 -6.310 1.00 0.00 C ATOM 0 H ILE A 6 -8.373 8.751 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.393 8.970 -4.970 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.846 7.390 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.414 7.190 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.977 6.634 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.175 8.141 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.164 9.249 -2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.629 9.681 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.193 7.890 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.016 8.742 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.428 9.307 -6.489 1.00 0.00 H new ATOM 112 N THR A 7 -9.619 11.137 -5.183 1.00 0.00 N ATOM 113 CA THR A 7 -10.042 12.503 -5.341 1.00 0.00 C ATOM 114 C THR A 7 -11.049 12.564 -6.477 1.00 0.00 C ATOM 115 O THR A 7 -10.981 11.766 -7.412 1.00 0.00 O ATOM 116 CB THR A 7 -8.841 13.421 -5.644 1.00 0.00 C ATOM 117 OG1 THR A 7 -7.645 12.630 -5.744 1.00 0.00 O ATOM 118 CG2 THR A 7 -8.670 14.468 -4.554 1.00 0.00 C ATOM 0 H THR A 7 -9.544 10.622 -6.060 1.00 0.00 H new ATOM 0 HA THR A 7 -10.498 12.852 -4.414 1.00 0.00 H new ATOM 0 HB THR A 7 -9.026 13.933 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.894 13.204 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.816 15.103 -4.790 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.571 15.079 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.500 13.973 -3.598 1.00 0.00 H new ATOM 126 N GLY A 8 -11.989 13.479 -6.392 1.00 0.00 N ATOM 127 CA GLY A 8 -13.030 13.537 -7.389 1.00 0.00 C ATOM 128 C GLY A 8 -14.306 12.892 -6.901 1.00 0.00 C ATOM 129 O GLY A 8 -15.332 12.909 -7.584 1.00 0.00 O ATOM 0 H GLY A 8 -12.053 14.181 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.225 14.577 -7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.693 13.037 -8.297 1.00 0.00 H new ATOM 133 N MET A 9 -14.239 12.334 -5.701 1.00 0.00 N ATOM 134 CA MET A 9 -15.387 11.686 -5.081 1.00 0.00 C ATOM 135 C MET A 9 -15.246 11.744 -3.565 1.00 0.00 C ATOM 136 O MET A 9 -14.133 11.701 -3.040 1.00 0.00 O ATOM 137 CB MET A 9 -15.516 10.235 -5.557 1.00 0.00 C ATOM 138 CG MET A 9 -14.475 9.296 -4.971 1.00 0.00 C ATOM 139 SD MET A 9 -15.194 7.746 -4.395 1.00 0.00 S ATOM 140 CE MET A 9 -14.238 6.561 -5.338 1.00 0.00 C ATOM 0 H MET A 9 -13.393 12.317 -5.132 1.00 0.00 H new ATOM 0 HA MET A 9 -16.294 12.214 -5.376 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.509 9.866 -5.299 1.00 0.00 H new ATOM 0 HB3 MET A 9 -15.440 10.212 -6.644 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.716 9.084 -5.724 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.970 9.790 -4.141 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.340 5.573 -4.890 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.603 6.534 -6.365 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.188 6.855 -5.334 1.00 0.00 H new ATOM 150 N THR A 10 -16.369 11.852 -2.871 1.00 0.00 N ATOM 151 CA THR A 10 -16.355 12.132 -1.443 1.00 0.00 C ATOM 152 C THR A 10 -17.317 11.253 -0.646 1.00 0.00 C ATOM 153 O THR A 10 -17.621 11.560 0.512 1.00 0.00 O ATOM 154 CB THR A 10 -16.727 13.596 -1.195 1.00 0.00 C ATOM 155 OG1 THR A 10 -16.629 14.336 -2.421 1.00 0.00 O ATOM 156 CG2 THR A 10 -15.826 14.223 -0.142 1.00 0.00 C ATOM 0 H THR A 10 -17.301 11.750 -3.273 1.00 0.00 H new ATOM 0 HA THR A 10 -15.343 11.916 -1.102 1.00 0.00 H new ATOM 0 HB THR A 10 -17.753 13.629 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.870 15.272 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.115 15.263 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.927 13.676 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.790 14.180 -0.478 1.00 0.00 H new ATOM 164 N CYS A 11 -17.766 10.150 -1.227 1.00 0.00 N ATOM 165 CA CYS A 11 -18.777 9.317 -0.572 1.00 0.00 C ATOM 166 C CYS A 11 -19.102 8.052 -1.367 1.00 0.00 C ATOM 167 O CYS A 11 -18.517 7.790 -2.420 1.00 0.00 O ATOM 168 CB CYS A 11 -20.066 10.119 -0.347 1.00 0.00 C ATOM 169 SG CYS A 11 -20.620 11.059 -1.789 1.00 0.00 S ATOM 0 H CYS A 11 -17.455 9.810 -2.137 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.355 9.009 0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.859 9.433 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -19.911 10.808 0.483 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.714 11.697 -1.497 1.00 0.00 H new ATOM 174 N ASP A 12 -20.076 7.306 -0.850 1.00 0.00 N ATOM 175 CA ASP A 12 -20.300 5.898 -1.195 1.00 0.00 C ATOM 176 C ASP A 12 -20.760 5.684 -2.637 1.00 0.00 C ATOM 177 O ASP A 12 -20.377 4.702 -3.265 1.00 0.00 O ATOM 178 CB ASP A 12 -21.327 5.316 -0.213 1.00 0.00 C ATOM 179 CG ASP A 12 -22.000 4.045 -0.701 1.00 0.00 C ATOM 180 OD1 ASP A 12 -21.439 2.949 -0.476 1.00 0.00 O ATOM 181 OD2 ASP A 12 -23.063 4.139 -1.346 1.00 0.00 O ATOM 0 H ASP A 12 -20.744 7.666 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.343 5.382 -1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.831 5.111 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.092 6.067 -0.016 1.00 0.00 H new ATOM 186 N SER A 13 -21.566 6.596 -3.159 1.00 0.00 N ATOM 187 CA SER A 13 -22.146 6.435 -4.493 1.00 0.00 C ATOM 188 C SER A 13 -21.077 6.246 -5.563 1.00 0.00 C ATOM 189 O SER A 13 -21.154 5.320 -6.377 1.00 0.00 O ATOM 190 CB SER A 13 -23.022 7.645 -4.822 1.00 0.00 C ATOM 191 OG SER A 13 -22.861 8.660 -3.842 1.00 0.00 O ATOM 0 H SER A 13 -21.836 7.457 -2.683 1.00 0.00 H new ATOM 0 HA SER A 13 -22.756 5.532 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.758 8.036 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.068 7.341 -4.870 1.00 0.00 H new ATOM 0 HG SER A 13 -23.427 9.427 -4.069 1.00 0.00 H new ATOM 197 N CYS A 14 -20.084 7.115 -5.558 1.00 0.00 N ATOM 198 CA CYS A 14 -18.983 7.006 -6.498 1.00 0.00 C ATOM 199 C CYS A 14 -18.044 5.885 -6.068 1.00 0.00 C ATOM 200 O CYS A 14 -17.439 5.210 -6.905 1.00 0.00 O ATOM 201 CB CYS A 14 -18.240 8.337 -6.586 1.00 0.00 C ATOM 202 SG CYS A 14 -19.225 9.754 -6.039 1.00 0.00 S ATOM 0 H CYS A 14 -20.016 7.904 -4.915 1.00 0.00 H new ATOM 0 HA CYS A 14 -19.374 6.766 -7.487 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.335 8.279 -5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.925 8.500 -7.617 1.00 0.00 H new ATOM 0 HG CYS A 14 -18.519 10.840 -6.144 1.00 0.00 H new ATOM 207 N ALA A 15 -17.954 5.675 -4.756 1.00 0.00 N ATOM 208 CA ALA A 15 -17.136 4.607 -4.188 1.00 0.00 C ATOM 209 C ALA A 15 -17.809 3.242 -4.342 1.00 0.00 C ATOM 210 O ALA A 15 -17.848 2.440 -3.409 1.00 0.00 O ATOM 211 CB ALA A 15 -16.834 4.894 -2.728 1.00 0.00 C ATOM 0 H ALA A 15 -18.444 6.238 -4.060 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.197 4.574 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.224 4.090 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.294 5.837 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.768 4.962 -2.170 1.00 0.00 H new ATOM 217 N ALA A 16 -18.305 2.981 -5.539 1.00 0.00 N ATOM 218 CA ALA A 16 -18.911 1.704 -5.873 1.00 0.00 C ATOM 219 C ALA A 16 -18.900 1.515 -7.384 1.00 0.00 C ATOM 220 O ALA A 16 -18.552 0.444 -7.878 1.00 0.00 O ATOM 221 CB ALA A 16 -20.334 1.629 -5.335 1.00 0.00 C ATOM 0 H ALA A 16 -18.299 3.650 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.333 0.904 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.771 0.665 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.319 1.740 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.931 2.428 -5.773 1.00 0.00 H new ATOM 227 N HIS A 17 -19.240 2.570 -8.117 1.00 0.00 N ATOM 228 CA HIS A 17 -19.111 2.550 -9.571 1.00 0.00 C ATOM 229 C HIS A 17 -17.635 2.513 -9.955 1.00 0.00 C ATOM 230 O HIS A 17 -17.223 1.764 -10.844 1.00 0.00 O ATOM 231 CB HIS A 17 -19.790 3.775 -10.188 1.00 0.00 C ATOM 232 CG HIS A 17 -20.158 3.611 -11.635 1.00 0.00 C ATOM 233 ND1 HIS A 17 -21.369 4.012 -12.154 1.00 0.00 N ATOM 234 CD2 HIS A 17 -19.459 3.105 -12.680 1.00 0.00 C ATOM 235 CE1 HIS A 17 -21.398 3.759 -13.447 1.00 0.00 C ATOM 236 NE2 HIS A 17 -20.251 3.210 -13.795 1.00 0.00 N ATOM 0 H HIS A 17 -19.604 3.442 -7.733 1.00 0.00 H new ATOM 0 HA HIS A 17 -19.603 1.657 -9.957 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -20.691 4.002 -9.619 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -19.126 4.633 -10.089 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.461 2.694 -12.642 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.224 3.967 -14.111 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.995 2.913 -14.737 1.00 0.00 H new ATOM 245 N VAL A 18 -16.841 3.315 -9.256 1.00 0.00 N ATOM 246 CA VAL A 18 -15.399 3.346 -9.465 1.00 0.00 C ATOM 247 C VAL A 18 -14.785 2.027 -9.009 1.00 0.00 C ATOM 248 O VAL A 18 -13.887 1.493 -9.654 1.00 0.00 O ATOM 249 CB VAL A 18 -14.739 4.528 -8.714 1.00 0.00 C ATOM 250 CG1 VAL A 18 -13.224 4.372 -8.662 1.00 0.00 C ATOM 251 CG2 VAL A 18 -15.111 5.845 -9.377 1.00 0.00 C ATOM 0 H VAL A 18 -17.174 3.956 -8.536 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.215 3.487 -10.530 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.112 4.528 -7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.789 5.217 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.971 3.447 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.826 4.340 -9.676 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.641 6.668 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.766 5.842 -10.411 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.194 5.970 -9.356 1.00 0.00 H new ATOM 261 N LYS A 19 -15.304 1.499 -7.904 1.00 0.00 N ATOM 262 CA LYS A 19 -14.868 0.209 -7.385 1.00 0.00 C ATOM 263 C LYS A 19 -15.155 -0.888 -8.403 1.00 0.00 C ATOM 264 O LYS A 19 -14.359 -1.809 -8.573 1.00 0.00 O ATOM 265 CB LYS A 19 -15.580 -0.098 -6.065 1.00 0.00 C ATOM 266 CG LYS A 19 -14.812 -1.037 -5.157 1.00 0.00 C ATOM 267 CD LYS A 19 -15.746 -1.969 -4.403 1.00 0.00 C ATOM 268 CE LYS A 19 -15.929 -3.284 -5.140 1.00 0.00 C ATOM 269 NZ LYS A 19 -15.364 -4.430 -4.382 1.00 0.00 N ATOM 0 H LYS A 19 -16.032 1.949 -7.349 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.794 0.249 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.761 0.837 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.555 -0.535 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.110 -1.624 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.223 -0.457 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.346 -2.161 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.714 -1.487 -4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.991 -3.455 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.448 -3.223 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.925 -5.284 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.379 -4.589 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.392 -4.220 -3.364 1.00 0.00 H new ATOM 283 N GLU A 20 -16.295 -0.780 -9.077 1.00 0.00 N ATOM 284 CA GLU A 20 -16.647 -1.719 -10.133 1.00 0.00 C ATOM 285 C GLU A 20 -15.661 -1.606 -11.289 1.00 0.00 C ATOM 286 O GLU A 20 -15.032 -2.592 -11.681 1.00 0.00 O ATOM 287 CB GLU A 20 -18.070 -1.456 -10.631 1.00 0.00 C ATOM 288 CG GLU A 20 -18.600 -2.531 -11.569 1.00 0.00 C ATOM 289 CD GLU A 20 -19.207 -1.960 -12.836 1.00 0.00 C ATOM 290 OE1 GLU A 20 -19.431 -0.730 -12.890 1.00 0.00 O ATOM 291 OE2 GLU A 20 -19.458 -2.728 -13.789 1.00 0.00 O ATOM 0 H GLU A 20 -16.990 -0.052 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.601 -2.729 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.737 -1.375 -9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.094 -0.495 -11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.788 -3.208 -11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.351 -3.124 -11.047 1.00 0.00 H new ATOM 298 N ALA A 21 -15.515 -0.389 -11.812 1.00 0.00 N ATOM 299 CA ALA A 21 -14.613 -0.132 -12.933 1.00 0.00 C ATOM 300 C ALA A 21 -13.193 -0.589 -12.611 1.00 0.00 C ATOM 301 O ALA A 21 -12.515 -1.180 -13.450 1.00 0.00 O ATOM 302 CB ALA A 21 -14.627 1.349 -13.289 1.00 0.00 C ATOM 0 H ALA A 21 -16.011 0.436 -11.476 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.964 -0.705 -13.791 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.951 1.529 -14.125 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.638 1.646 -13.569 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.302 1.933 -12.428 1.00 0.00 H new ATOM 308 N LEU A 22 -12.758 -0.320 -11.387 1.00 0.00 N ATOM 309 CA LEU A 22 -11.430 -0.707 -10.938 1.00 0.00 C ATOM 310 C LEU A 22 -11.287 -2.226 -10.870 1.00 0.00 C ATOM 311 O LEU A 22 -10.297 -2.782 -11.343 1.00 0.00 O ATOM 312 CB LEU A 22 -11.137 -0.084 -9.573 1.00 0.00 C ATOM 313 CG LEU A 22 -10.133 1.073 -9.590 1.00 0.00 C ATOM 314 CD1 LEU A 22 -10.106 1.773 -8.239 1.00 0.00 C ATOM 315 CD2 LEU A 22 -8.748 0.571 -9.965 1.00 0.00 C ATOM 0 H LEU A 22 -13.312 0.169 -10.683 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.706 -0.337 -11.663 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.074 0.274 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.760 -0.862 -8.909 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.449 1.795 -10.343 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.388 2.592 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.097 2.167 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.814 1.062 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.048 1.406 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.420 -0.171 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.781 0.117 -10.955 1.00 0.00 H new ATOM 327 N GLU A 23 -12.276 -2.901 -10.288 1.00 0.00 N ATOM 328 CA GLU A 23 -12.230 -4.354 -10.172 1.00 0.00 C ATOM 329 C GLU A 23 -12.545 -5.034 -11.505 1.00 0.00 C ATOM 330 O GLU A 23 -12.444 -6.255 -11.628 1.00 0.00 O ATOM 331 CB GLU A 23 -13.175 -4.845 -9.074 1.00 0.00 C ATOM 332 CG GLU A 23 -12.426 -5.341 -7.848 1.00 0.00 C ATOM 333 CD GLU A 23 -13.331 -5.946 -6.799 1.00 0.00 C ATOM 334 OE1 GLU A 23 -14.052 -6.920 -7.112 1.00 0.00 O ATOM 335 OE2 GLU A 23 -13.318 -5.459 -5.650 1.00 0.00 O ATOM 0 H GLU A 23 -13.111 -2.469 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.212 -4.628 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.845 -4.035 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.798 -5.649 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.691 -6.084 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.874 -4.511 -7.407 1.00 0.00 H new ATOM 342 N LYS A 24 -12.946 -4.245 -12.496 1.00 0.00 N ATOM 343 CA LYS A 24 -13.118 -4.751 -13.854 1.00 0.00 C ATOM 344 C LYS A 24 -11.777 -4.782 -14.587 1.00 0.00 C ATOM 345 O LYS A 24 -11.692 -5.228 -15.734 1.00 0.00 O ATOM 346 CB LYS A 24 -14.118 -3.891 -14.635 1.00 0.00 C ATOM 347 CG LYS A 24 -15.572 -4.215 -14.336 1.00 0.00 C ATOM 348 CD LYS A 24 -15.990 -5.535 -14.958 1.00 0.00 C ATOM 349 CE LYS A 24 -17.409 -5.909 -14.560 1.00 0.00 C ATOM 350 NZ LYS A 24 -17.810 -7.231 -15.111 1.00 0.00 N ATOM 0 H LYS A 24 -13.158 -3.253 -12.385 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.510 -5.766 -13.787 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.935 -2.841 -14.407 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.939 -4.021 -15.702 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.721 -4.257 -13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.209 -3.416 -14.715 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.921 -5.466 -16.044 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.303 -6.321 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.487 -5.930 -13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.099 -5.144 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.783 -7.449 -14.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.760 -7.204 -16.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.167 -7.966 -14.752 1.00 0.00 H new ATOM 364 N VAL A 25 -10.738 -4.286 -13.927 1.00 0.00 N ATOM 365 CA VAL A 25 -9.393 -4.302 -14.482 1.00 0.00 C ATOM 366 C VAL A 25 -8.713 -5.638 -14.183 1.00 0.00 C ATOM 367 O VAL A 25 -8.684 -6.083 -13.035 1.00 0.00 O ATOM 368 CB VAL A 25 -8.540 -3.142 -13.915 1.00 0.00 C ATOM 369 CG1 VAL A 25 -7.098 -3.235 -14.393 1.00 0.00 C ATOM 370 CG2 VAL A 25 -9.140 -1.799 -14.300 1.00 0.00 C ATOM 0 H VAL A 25 -10.804 -3.865 -13.000 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.475 -4.172 -15.561 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.542 -3.226 -12.828 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.523 -2.407 -13.978 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.665 -4.179 -14.062 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.072 -3.186 -15.482 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.526 -0.996 -13.892 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.174 -1.714 -15.386 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.150 -1.723 -13.898 1.00 0.00 H new ATOM 380 N PRO A 26 -8.179 -6.309 -15.216 1.00 0.00 N ATOM 381 CA PRO A 26 -7.487 -7.587 -15.050 1.00 0.00 C ATOM 382 C PRO A 26 -6.189 -7.438 -14.264 1.00 0.00 C ATOM 383 O PRO A 26 -5.399 -6.523 -14.505 1.00 0.00 O ATOM 384 CB PRO A 26 -7.205 -8.039 -16.485 1.00 0.00 C ATOM 385 CG PRO A 26 -7.224 -6.786 -17.293 1.00 0.00 C ATOM 386 CD PRO A 26 -8.212 -5.875 -16.623 1.00 0.00 C ATOM 0 HA PRO A 26 -8.082 -8.303 -14.483 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.241 -8.542 -16.558 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.960 -8.745 -16.832 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.235 -6.330 -17.328 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.518 -6.990 -18.323 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.927 -4.828 -16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.209 -5.979 -17.052 1.00 0.00 H new ATOM 394 N GLY A 27 -5.977 -8.348 -13.329 1.00 0.00 N ATOM 395 CA GLY A 27 -4.839 -8.256 -12.439 1.00 0.00 C ATOM 396 C GLY A 27 -5.273 -7.869 -11.048 1.00 0.00 C ATOM 397 O GLY A 27 -4.474 -7.851 -10.115 1.00 0.00 O ATOM 0 H GLY A 27 -6.578 -9.156 -13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.318 -9.213 -12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.132 -7.520 -12.821 1.00 0.00 H new ATOM 401 N VAL A 28 -6.554 -7.563 -10.918 1.00 0.00 N ATOM 402 CA VAL A 28 -7.127 -7.172 -9.645 1.00 0.00 C ATOM 403 C VAL A 28 -7.586 -8.401 -8.858 1.00 0.00 C ATOM 404 O VAL A 28 -7.740 -9.490 -9.420 1.00 0.00 O ATOM 405 CB VAL A 28 -8.314 -6.196 -9.858 1.00 0.00 C ATOM 406 CG1 VAL A 28 -9.640 -6.939 -9.955 1.00 0.00 C ATOM 407 CG2 VAL A 28 -8.357 -5.152 -8.753 1.00 0.00 C ATOM 0 H VAL A 28 -7.221 -7.579 -11.689 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.356 -6.661 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.155 -5.685 -10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.448 -6.223 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.609 -7.631 -10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.813 -7.495 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.197 -4.478 -8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.477 -5.647 -7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.428 -4.582 -8.755 1.00 0.00 H new ATOM 417 N GLN A 29 -7.798 -8.221 -7.564 1.00 0.00 N ATOM 418 CA GLN A 29 -8.316 -9.285 -6.714 1.00 0.00 C ATOM 419 C GLN A 29 -9.437 -8.744 -5.835 1.00 0.00 C ATOM 420 O GLN A 29 -10.519 -9.334 -5.757 1.00 0.00 O ATOM 421 CB GLN A 29 -7.204 -9.871 -5.840 1.00 0.00 C ATOM 422 CG GLN A 29 -7.193 -11.388 -5.793 1.00 0.00 C ATOM 423 CD GLN A 29 -5.964 -11.933 -5.095 1.00 0.00 C ATOM 424 OE1 GLN A 29 -5.523 -11.399 -4.079 1.00 0.00 O ATOM 425 NE2 GLN A 29 -5.407 -13.002 -5.635 1.00 0.00 N ATOM 0 H GLN A 29 -7.619 -7.344 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.707 -10.078 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.241 -9.522 -6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.312 -9.487 -4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.087 -11.740 -5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.235 -11.781 -6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.806 -13.414 -6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.578 -13.416 -5.208 1.00 0.00 H new ATOM 434 N SER A 30 -9.179 -7.615 -5.185 1.00 0.00 N ATOM 435 CA SER A 30 -10.170 -6.973 -4.327 1.00 0.00 C ATOM 436 C SER A 30 -9.905 -5.470 -4.236 1.00 0.00 C ATOM 437 O SER A 30 -8.773 -5.045 -4.011 1.00 0.00 O ATOM 438 CB SER A 30 -10.144 -7.591 -2.921 1.00 0.00 C ATOM 439 OG SER A 30 -9.803 -8.971 -2.963 1.00 0.00 O ATOM 0 H SER A 30 -8.287 -7.123 -5.236 1.00 0.00 H new ATOM 0 HA SER A 30 -11.155 -7.133 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.424 -7.056 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.120 -7.471 -2.452 1.00 0.00 H new ATOM 0 HG SER A 30 -9.794 -9.334 -2.053 1.00 0.00 H new ATOM 445 N ALA A 31 -10.946 -4.674 -4.438 1.00 0.00 N ATOM 446 CA ALA A 31 -10.828 -3.227 -4.334 1.00 0.00 C ATOM 447 C ALA A 31 -11.574 -2.714 -3.107 1.00 0.00 C ATOM 448 O ALA A 31 -12.804 -2.674 -3.089 1.00 0.00 O ATOM 449 CB ALA A 31 -11.356 -2.561 -5.598 1.00 0.00 C ATOM 0 H ALA A 31 -11.881 -5.006 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.774 -2.974 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.261 -1.479 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.780 -2.904 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.405 -2.823 -5.736 1.00 0.00 H new ATOM 455 N LEU A 32 -10.827 -2.330 -2.084 1.00 0.00 N ATOM 456 CA LEU A 32 -11.415 -1.821 -0.852 1.00 0.00 C ATOM 457 C LEU A 32 -11.326 -0.302 -0.812 1.00 0.00 C ATOM 458 O LEU A 32 -10.446 0.264 -0.162 1.00 0.00 O ATOM 459 CB LEU A 32 -10.706 -2.415 0.367 1.00 0.00 C ATOM 460 CG LEU A 32 -10.871 -3.924 0.542 1.00 0.00 C ATOM 461 CD1 LEU A 32 -9.512 -4.604 0.604 1.00 0.00 C ATOM 462 CD2 LEU A 32 -11.678 -4.224 1.794 1.00 0.00 C ATOM 0 H LEU A 32 -9.807 -2.361 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.464 -2.116 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.642 -2.187 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.079 -1.918 1.263 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.411 -4.318 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.648 -5.678 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.967 -4.412 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.946 -4.210 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.788 -5.303 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.162 -3.819 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.663 -3.766 1.710 1.00 0.00 H new ATOM 474 N VAL A 33 -12.226 0.355 -1.522 1.00 0.00 N ATOM 475 CA VAL A 33 -12.253 1.808 -1.545 1.00 0.00 C ATOM 476 C VAL A 33 -13.056 2.341 -0.365 1.00 0.00 C ATOM 477 O VAL A 33 -14.282 2.257 -0.341 1.00 0.00 O ATOM 478 CB VAL A 33 -12.842 2.350 -2.857 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.607 3.849 -2.977 1.00 0.00 C ATOM 480 CG2 VAL A 33 -12.258 1.615 -4.052 1.00 0.00 C ATOM 0 H VAL A 33 -12.946 -0.092 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.221 2.152 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.918 2.177 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.032 4.210 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.084 4.360 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.536 4.052 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.688 2.014 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.177 1.750 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.490 0.553 -3.975 1.00 0.00 H new ATOM 490 N SER A 34 -12.351 2.880 0.614 1.00 0.00 N ATOM 491 CA SER A 34 -12.977 3.404 1.810 1.00 0.00 C ATOM 492 C SER A 34 -13.427 4.843 1.575 1.00 0.00 C ATOM 493 O SER A 34 -12.606 5.756 1.567 1.00 0.00 O ATOM 494 CB SER A 34 -11.988 3.341 2.974 1.00 0.00 C ATOM 495 OG SER A 34 -10.674 3.053 2.509 1.00 0.00 O ATOM 0 H SER A 34 -11.335 2.966 0.601 1.00 0.00 H new ATOM 0 HA SER A 34 -13.852 2.802 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.989 4.291 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.303 2.576 3.683 1.00 0.00 H new ATOM 0 HG SER A 34 -10.087 2.877 3.274 1.00 0.00 H new ATOM 501 N TYR A 35 -14.727 5.035 1.377 1.00 0.00 N ATOM 502 CA TYR A 35 -15.266 6.362 1.086 1.00 0.00 C ATOM 503 C TYR A 35 -15.041 7.368 2.229 1.00 0.00 C ATOM 504 O TYR A 35 -14.663 8.508 1.955 1.00 0.00 O ATOM 505 CB TYR A 35 -16.757 6.328 0.702 1.00 0.00 C ATOM 506 CG TYR A 35 -17.525 5.072 1.075 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.271 3.869 0.427 1.00 0.00 C ATOM 508 CD2 TYR A 35 -18.472 5.079 2.093 1.00 0.00 C ATOM 509 CE1 TYR A 35 -17.933 2.711 0.787 1.00 0.00 C ATOM 510 CE2 TYR A 35 -19.142 3.927 2.453 1.00 0.00 C ATOM 511 CZ TYR A 35 -18.995 2.800 1.722 1.00 0.00 C ATOM 512 OH TYR A 35 -19.517 1.590 2.167 1.00 0.00 O ATOM 0 H TYR A 35 -15.426 4.293 1.412 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.700 6.707 0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.249 7.180 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.835 6.468 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.544 3.839 -0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.687 6.002 2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.648 1.759 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.785 3.926 3.321 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.240 1.761 2.806 1.00 0.00 H new ATOM 522 N PRO A 36 -15.275 7.003 3.516 1.00 0.00 N ATOM 523 CA PRO A 36 -15.064 7.935 4.636 1.00 0.00 C ATOM 524 C PRO A 36 -13.632 8.460 4.694 1.00 0.00 C ATOM 525 O PRO A 36 -13.403 9.648 4.917 1.00 0.00 O ATOM 526 CB PRO A 36 -15.371 7.095 5.880 1.00 0.00 C ATOM 527 CG PRO A 36 -16.238 5.992 5.391 1.00 0.00 C ATOM 528 CD PRO A 36 -15.772 5.694 3.995 1.00 0.00 C ATOM 0 HA PRO A 36 -15.693 8.820 4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.457 6.709 6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.877 7.688 6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.149 5.113 6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.287 6.287 5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.987 4.938 3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.583 5.319 3.371 1.00 0.00 H new ATOM 536 N LYS A 37 -12.675 7.568 4.476 1.00 0.00 N ATOM 537 CA LYS A 37 -11.267 7.929 4.529 1.00 0.00 C ATOM 538 C LYS A 37 -10.813 8.555 3.214 1.00 0.00 C ATOM 539 O LYS A 37 -9.997 9.478 3.201 1.00 0.00 O ATOM 540 CB LYS A 37 -10.423 6.693 4.836 1.00 0.00 C ATOM 541 CG LYS A 37 -9.116 7.003 5.544 1.00 0.00 C ATOM 542 CD LYS A 37 -8.287 5.747 5.748 1.00 0.00 C ATOM 543 CE LYS A 37 -6.809 6.013 5.523 1.00 0.00 C ATOM 544 NZ LYS A 37 -6.270 6.991 6.500 1.00 0.00 N ATOM 0 H LYS A 37 -12.850 6.587 4.260 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.133 8.665 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.007 6.010 5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.205 6.172 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.547 7.726 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.324 7.465 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.440 5.369 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.626 4.970 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.255 5.077 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.657 6.389 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.240 7.070 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.709 7.920 6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.482 6.670 7.466 1.00 0.00 H new ATOM 558 N GLY A 38 -11.352 8.055 2.114 1.00 0.00 N ATOM 559 CA GLY A 38 -10.946 8.524 0.805 1.00 0.00 C ATOM 560 C GLY A 38 -9.734 7.773 0.298 1.00 0.00 C ATOM 561 O GLY A 38 -8.830 8.362 -0.299 1.00 0.00 O ATOM 0 H GLY A 38 -12.068 7.328 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.770 8.403 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.721 9.590 0.853 1.00 0.00 H new ATOM 565 N THR A 39 -9.704 6.473 0.553 1.00 0.00 N ATOM 566 CA THR A 39 -8.570 5.648 0.172 1.00 0.00 C ATOM 567 C THR A 39 -9.011 4.461 -0.674 1.00 0.00 C ATOM 568 O THR A 39 -10.024 3.828 -0.392 1.00 0.00 O ATOM 569 CB THR A 39 -7.834 5.117 1.412 1.00 0.00 C ATOM 570 OG1 THR A 39 -8.681 5.226 2.561 1.00 0.00 O ATOM 571 CG2 THR A 39 -6.541 5.885 1.650 1.00 0.00 C ATOM 0 H THR A 39 -10.455 5.967 1.023 1.00 0.00 H new ATOM 0 HA THR A 39 -7.900 6.280 -0.411 1.00 0.00 H new ATOM 0 HB THR A 39 -7.584 4.070 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.346 4.506 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.040 5.489 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.889 5.776 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.768 6.940 1.804 1.00 0.00 H new ATOM 579 N ALA A 40 -8.246 4.166 -1.708 1.00 0.00 N ATOM 580 CA ALA A 40 -8.501 3.006 -2.540 1.00 0.00 C ATOM 581 C ALA A 40 -7.487 1.912 -2.234 1.00 0.00 C ATOM 582 O ALA A 40 -6.364 1.936 -2.738 1.00 0.00 O ATOM 583 CB ALA A 40 -8.456 3.386 -4.012 1.00 0.00 C ATOM 0 H ALA A 40 -7.437 4.718 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.499 2.627 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.649 2.503 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.215 4.141 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.471 3.786 -4.255 1.00 0.00 H new ATOM 589 N GLN A 41 -7.877 0.977 -1.377 1.00 0.00 N ATOM 590 CA GLN A 41 -7.016 -0.148 -1.033 1.00 0.00 C ATOM 591 C GLN A 41 -7.207 -1.263 -2.053 1.00 0.00 C ATOM 592 O GLN A 41 -8.168 -2.026 -1.984 1.00 0.00 O ATOM 593 CB GLN A 41 -7.321 -0.653 0.382 1.00 0.00 C ATOM 594 CG GLN A 41 -6.374 -1.746 0.861 1.00 0.00 C ATOM 595 CD GLN A 41 -5.321 -1.236 1.829 1.00 0.00 C ATOM 596 OE1 GLN A 41 -4.143 -1.123 1.482 1.00 0.00 O ATOM 597 NE2 GLN A 41 -5.730 -0.933 3.052 1.00 0.00 N ATOM 0 H GLN A 41 -8.783 0.975 -0.908 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.977 0.181 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.273 0.186 1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.343 -1.032 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.952 -2.534 1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.880 -2.195 -0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.713 -1.040 3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.062 -0.593 3.744 1.00 0.00 H new ATOM 606 N LEU A 42 -6.296 -1.343 -3.000 1.00 0.00 N ATOM 607 CA LEU A 42 -6.437 -2.262 -4.109 1.00 0.00 C ATOM 608 C LEU A 42 -5.490 -3.442 -3.982 1.00 0.00 C ATOM 609 O LEU A 42 -4.269 -3.294 -4.051 1.00 0.00 O ATOM 610 CB LEU A 42 -6.193 -1.536 -5.430 1.00 0.00 C ATOM 611 CG LEU A 42 -7.417 -0.832 -6.008 1.00 0.00 C ATOM 612 CD1 LEU A 42 -7.041 0.542 -6.539 1.00 0.00 C ATOM 613 CD2 LEU A 42 -8.052 -1.681 -7.099 1.00 0.00 C ATOM 0 H LEU A 42 -5.446 -0.780 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.456 -2.648 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.403 -0.799 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.826 -2.256 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.149 -0.698 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.927 1.029 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.635 1.147 -5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.291 0.436 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.924 -1.165 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.329 -1.848 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.359 -2.640 -6.681 1.00 0.00 H new ATOM 625 N ALA A 43 -6.072 -4.611 -3.802 1.00 0.00 N ATOM 626 CA ALA A 43 -5.325 -5.845 -3.775 1.00 0.00 C ATOM 627 C ALA A 43 -5.179 -6.355 -5.195 1.00 0.00 C ATOM 628 O ALA A 43 -6.014 -7.113 -5.690 1.00 0.00 O ATOM 629 CB ALA A 43 -6.016 -6.876 -2.892 1.00 0.00 C ATOM 0 H ALA A 43 -7.077 -4.728 -3.671 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.337 -5.667 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.435 -7.798 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.094 -6.490 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.014 -7.078 -3.281 1.00 0.00 H new ATOM 635 N ILE A 44 -4.163 -5.851 -5.865 1.00 0.00 N ATOM 636 CA ILE A 44 -3.848 -6.266 -7.226 1.00 0.00 C ATOM 637 C ILE A 44 -2.845 -7.417 -7.223 1.00 0.00 C ATOM 638 O ILE A 44 -2.727 -8.141 -6.234 1.00 0.00 O ATOM 639 CB ILE A 44 -3.285 -5.095 -8.063 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.389 -4.195 -7.205 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.424 -4.293 -8.672 1.00 0.00 C ATOM 642 CD1 ILE A 44 -0.967 -4.087 -7.713 1.00 0.00 C ATOM 0 H ILE A 44 -3.532 -5.144 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.780 -6.600 -7.682 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.677 -5.506 -8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.826 -3.198 -7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.373 -4.580 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.016 -3.470 -9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.020 -4.939 -9.317 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.054 -3.894 -7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.394 -3.434 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.510 -5.077 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.971 -3.672 -8.721 1.00 0.00 H new ATOM 654 N VAL A 45 -2.090 -7.536 -8.311 1.00 0.00 N ATOM 655 CA VAL A 45 -1.163 -8.650 -8.524 1.00 0.00 C ATOM 656 C VAL A 45 -0.122 -8.230 -9.558 1.00 0.00 C ATOM 657 O VAL A 45 -0.480 -7.640 -10.580 1.00 0.00 O ATOM 658 CB VAL A 45 -1.883 -9.922 -9.059 1.00 0.00 C ATOM 659 CG1 VAL A 45 -0.885 -11.019 -9.405 1.00 0.00 C ATOM 660 CG2 VAL A 45 -2.919 -10.461 -8.080 1.00 0.00 C ATOM 0 H VAL A 45 -2.102 -6.861 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.709 -8.890 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.406 -9.615 -9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.420 -11.894 -9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.201 -10.659 -10.174 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.319 -11.290 -8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.391 -11.348 -8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.431 -10.722 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.677 -9.699 -7.896 1.00 0.00 H new ATOM 670 N PRO A 46 1.177 -8.494 -9.279 1.00 0.00 N ATOM 671 CA PRO A 46 2.293 -8.140 -10.166 1.00 0.00 C ATOM 672 C PRO A 46 1.972 -8.332 -11.647 1.00 0.00 C ATOM 673 O PRO A 46 1.961 -9.452 -12.159 1.00 0.00 O ATOM 674 CB PRO A 46 3.386 -9.102 -9.722 1.00 0.00 C ATOM 675 CG PRO A 46 3.154 -9.267 -8.260 1.00 0.00 C ATOM 676 CD PRO A 46 1.662 -9.153 -8.050 1.00 0.00 C ATOM 0 HA PRO A 46 2.559 -7.086 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.315 -10.055 -10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.378 -8.699 -9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.522 -10.233 -7.915 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.686 -8.502 -7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.202 -10.132 -7.914 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.428 -8.565 -7.163 1.00 0.00 H new ATOM 684 N GLY A 47 1.736 -7.222 -12.322 1.00 0.00 N ATOM 685 CA GLY A 47 1.283 -7.246 -13.697 1.00 0.00 C ATOM 686 C GLY A 47 0.449 -6.022 -13.999 1.00 0.00 C ATOM 687 O GLY A 47 0.077 -5.763 -15.141 1.00 0.00 O ATOM 0 H GLY A 47 1.852 -6.286 -11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.141 -7.284 -14.368 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.697 -8.147 -13.878 1.00 0.00 H new ATOM 691 N THR A 48 0.162 -5.273 -12.945 1.00 0.00 N ATOM 692 CA THR A 48 -0.554 -4.015 -13.037 1.00 0.00 C ATOM 693 C THR A 48 0.012 -3.048 -12.015 1.00 0.00 C ATOM 694 O THR A 48 -0.265 -3.153 -10.819 1.00 0.00 O ATOM 695 CB THR A 48 -2.064 -4.206 -12.797 1.00 0.00 C ATOM 696 OG1 THR A 48 -2.514 -5.407 -13.438 1.00 0.00 O ATOM 697 CG2 THR A 48 -2.857 -3.020 -13.322 1.00 0.00 C ATOM 0 H THR A 48 0.424 -5.527 -11.992 1.00 0.00 H new ATOM 0 HA THR A 48 -0.427 -3.616 -14.043 1.00 0.00 H new ATOM 0 HB THR A 48 -2.228 -4.281 -11.722 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.480 -5.352 -13.595 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.919 -3.183 -13.139 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.536 -2.112 -12.811 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.686 -2.913 -14.393 1.00 0.00 H new ATOM 705 N SER A 49 0.845 -2.141 -12.491 1.00 0.00 N ATOM 706 CA SER A 49 1.545 -1.222 -11.623 1.00 0.00 C ATOM 707 C SER A 49 0.578 -0.242 -10.961 1.00 0.00 C ATOM 708 O SER A 49 -0.474 0.067 -11.517 1.00 0.00 O ATOM 709 CB SER A 49 2.604 -0.469 -12.428 1.00 0.00 C ATOM 710 OG SER A 49 2.644 -0.930 -13.770 1.00 0.00 O ATOM 0 H SER A 49 1.052 -2.024 -13.483 1.00 0.00 H new ATOM 0 HA SER A 49 2.030 -1.791 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.387 0.599 -12.413 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.581 -0.602 -11.964 1.00 0.00 H new ATOM 0 HG SER A 49 1.924 -0.506 -14.283 1.00 0.00 H new ATOM 716 N PRO A 50 0.914 0.257 -9.762 1.00 0.00 N ATOM 717 CA PRO A 50 0.077 1.231 -9.055 1.00 0.00 C ATOM 718 C PRO A 50 -0.123 2.503 -9.861 1.00 0.00 C ATOM 719 O PRO A 50 -1.146 3.181 -9.739 1.00 0.00 O ATOM 720 CB PRO A 50 0.859 1.519 -7.771 1.00 0.00 C ATOM 721 CG PRO A 50 1.770 0.351 -7.602 1.00 0.00 C ATOM 722 CD PRO A 50 2.116 -0.102 -8.990 1.00 0.00 C ATOM 0 HA PRO A 50 -0.927 0.849 -8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.421 2.449 -7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.190 1.624 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.666 0.631 -7.047 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.283 -0.446 -7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.005 0.401 -9.369 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.315 -1.173 -9.028 1.00 0.00 H new ATOM 730 N ASP A 51 0.852 2.810 -10.701 1.00 0.00 N ATOM 731 CA ASP A 51 0.758 3.955 -11.593 1.00 0.00 C ATOM 732 C ASP A 51 -0.344 3.727 -12.616 1.00 0.00 C ATOM 733 O ASP A 51 -0.969 4.671 -13.084 1.00 0.00 O ATOM 734 CB ASP A 51 2.090 4.192 -12.304 1.00 0.00 C ATOM 735 CG ASP A 51 2.263 5.627 -12.760 1.00 0.00 C ATOM 736 OD1 ASP A 51 2.295 6.530 -11.896 1.00 0.00 O ATOM 737 OD2 ASP A 51 2.350 5.861 -13.984 1.00 0.00 O ATOM 0 H ASP A 51 1.720 2.281 -10.784 1.00 0.00 H new ATOM 0 HA ASP A 51 0.519 4.838 -11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.907 3.927 -11.633 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.159 3.530 -13.167 1.00 0.00 H new ATOM 742 N ALA A 52 -0.596 2.460 -12.927 1.00 0.00 N ATOM 743 CA ALA A 52 -1.614 2.102 -13.905 1.00 0.00 C ATOM 744 C ALA A 52 -2.995 2.225 -13.283 1.00 0.00 C ATOM 745 O ALA A 52 -3.961 2.585 -13.949 1.00 0.00 O ATOM 746 CB ALA A 52 -1.385 0.692 -14.431 1.00 0.00 C ATOM 0 H ALA A 52 -0.108 1.664 -12.515 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.546 2.789 -14.748 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.157 0.446 -15.160 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.406 0.636 -14.906 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.428 -0.016 -13.604 1.00 0.00 H new ATOM 752 N LEU A 53 -3.072 1.937 -11.990 1.00 0.00 N ATOM 753 CA LEU A 53 -4.321 2.049 -11.249 1.00 0.00 C ATOM 754 C LEU A 53 -4.652 3.517 -11.032 1.00 0.00 C ATOM 755 O LEU A 53 -5.785 3.951 -11.242 1.00 0.00 O ATOM 756 CB LEU A 53 -4.216 1.322 -9.914 1.00 0.00 C ATOM 757 CG LEU A 53 -4.076 -0.193 -10.029 1.00 0.00 C ATOM 758 CD1 LEU A 53 -2.945 -0.691 -9.143 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.382 -0.877 -9.668 1.00 0.00 C ATOM 0 H LEU A 53 -2.279 1.622 -11.431 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.121 1.584 -11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.358 1.713 -9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.102 1.549 -9.320 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.836 -0.441 -11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.859 -1.774 -9.237 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.009 -0.224 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.155 -0.433 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.263 -1.957 -9.756 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.654 -0.624 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.168 -0.542 -10.345 1.00 0.00 H new ATOM 771 N THR A 54 -3.640 4.277 -10.630 1.00 0.00 N ATOM 772 CA THR A 54 -3.765 5.720 -10.502 1.00 0.00 C ATOM 773 C THR A 54 -4.178 6.328 -11.837 1.00 0.00 C ATOM 774 O THR A 54 -5.056 7.184 -11.896 1.00 0.00 O ATOM 775 CB THR A 54 -2.440 6.351 -10.037 1.00 0.00 C ATOM 776 OG1 THR A 54 -1.933 5.638 -8.902 1.00 0.00 O ATOM 777 CG2 THR A 54 -2.624 7.817 -9.679 1.00 0.00 C ATOM 0 H THR A 54 -2.719 3.913 -10.386 1.00 0.00 H new ATOM 0 HA THR A 54 -4.529 5.928 -9.753 1.00 0.00 H new ATOM 0 HB THR A 54 -1.728 6.286 -10.860 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.527 4.797 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.671 8.235 -9.354 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.981 8.363 -10.552 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.352 7.906 -8.873 1.00 0.00 H new ATOM 785 N ALA A 55 -3.551 5.850 -12.907 1.00 0.00 N ATOM 786 CA ALA A 55 -3.866 6.303 -14.256 1.00 0.00 C ATOM 787 C ALA A 55 -5.282 5.901 -14.654 1.00 0.00 C ATOM 788 O ALA A 55 -5.960 6.631 -15.372 1.00 0.00 O ATOM 789 CB ALA A 55 -2.864 5.750 -15.259 1.00 0.00 C ATOM 0 H ALA A 55 -2.816 5.144 -12.864 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.803 7.391 -14.262 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.119 6.101 -16.259 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.862 6.092 -14.999 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.892 4.661 -15.239 1.00 0.00 H new ATOM 795 N ALA A 56 -5.714 4.731 -14.199 1.00 0.00 N ATOM 796 CA ALA A 56 -7.070 4.261 -14.457 1.00 0.00 C ATOM 797 C ALA A 56 -8.089 5.157 -13.763 1.00 0.00 C ATOM 798 O ALA A 56 -9.101 5.525 -14.348 1.00 0.00 O ATOM 799 CB ALA A 56 -7.234 2.818 -14.002 1.00 0.00 C ATOM 0 H ALA A 56 -5.144 4.089 -13.648 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.247 4.305 -15.532 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.253 2.487 -14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.532 2.184 -14.544 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.035 2.749 -12.933 1.00 0.00 H new ATOM 805 N VAL A 57 -7.808 5.516 -12.518 1.00 0.00 N ATOM 806 CA VAL A 57 -8.679 6.410 -11.763 1.00 0.00 C ATOM 807 C VAL A 57 -8.617 7.816 -12.343 1.00 0.00 C ATOM 808 O VAL A 57 -9.641 8.492 -12.473 1.00 0.00 O ATOM 809 CB VAL A 57 -8.307 6.455 -10.266 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.253 7.369 -9.499 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.319 5.057 -9.668 1.00 0.00 C ATOM 0 H VAL A 57 -6.983 5.202 -12.008 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.693 6.018 -11.845 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.298 6.859 -10.181 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.970 7.384 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.193 8.379 -9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.274 6.999 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.054 5.111 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.315 4.626 -9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.597 4.431 -10.192 1.00 0.00 H new ATOM 821 N ALA A 58 -7.413 8.246 -12.713 1.00 0.00 N ATOM 822 CA ALA A 58 -7.236 9.549 -13.339 1.00 0.00 C ATOM 823 C ALA A 58 -7.982 9.595 -14.669 1.00 0.00 C ATOM 824 O ALA A 58 -8.668 10.569 -14.982 1.00 0.00 O ATOM 825 CB ALA A 58 -5.760 9.848 -13.548 1.00 0.00 C ATOM 0 H ALA A 58 -6.552 7.713 -12.590 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.647 10.311 -12.678 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.650 10.826 -14.017 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.249 9.847 -12.585 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.322 9.085 -14.192 1.00 0.00 H new ATOM 831 N GLY A 59 -7.860 8.513 -15.431 1.00 0.00 N ATOM 832 CA GLY A 59 -8.527 8.410 -16.712 1.00 0.00 C ATOM 833 C GLY A 59 -10.004 8.107 -16.573 1.00 0.00 C ATOM 834 O GLY A 59 -10.754 8.193 -17.542 1.00 0.00 O ATOM 0 H GLY A 59 -7.303 7.697 -15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.401 9.344 -17.260 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.053 7.627 -17.303 1.00 0.00 H new ATOM 838 N LEU A 60 -10.427 7.741 -15.370 1.00 0.00 N ATOM 839 CA LEU A 60 -11.843 7.528 -15.094 1.00 0.00 C ATOM 840 C LEU A 60 -12.581 8.860 -14.996 1.00 0.00 C ATOM 841 O LEU A 60 -13.808 8.897 -14.906 1.00 0.00 O ATOM 842 CB LEU A 60 -12.022 6.746 -13.794 1.00 0.00 C ATOM 843 CG LEU A 60 -12.744 5.400 -13.924 1.00 0.00 C ATOM 844 CD1 LEU A 60 -12.166 4.582 -15.068 1.00 0.00 C ATOM 845 CD2 LEU A 60 -12.649 4.623 -12.620 1.00 0.00 C ATOM 0 H LEU A 60 -9.812 7.586 -14.571 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.263 6.952 -15.918 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.038 6.570 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.575 7.368 -13.090 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.794 5.596 -14.142 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.695 3.632 -15.139 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.280 5.132 -16.002 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.108 4.395 -14.884 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.166 3.669 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.601 4.443 -12.379 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.112 5.199 -11.819 1.00 0.00 H new ATOM 857 N GLY A 61 -11.826 9.951 -15.014 1.00 0.00 N ATOM 858 CA GLY A 61 -12.420 11.270 -14.904 1.00 0.00 C ATOM 859 C GLY A 61 -12.263 11.838 -13.511 1.00 0.00 C ATOM 860 O GLY A 61 -12.765 12.921 -13.204 1.00 0.00 O ATOM 0 H GLY A 61 -10.810 9.946 -15.103 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.954 11.941 -15.626 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.479 11.215 -15.158 1.00 0.00 H new ATOM 864 N TYR A 62 -11.564 11.100 -12.665 1.00 0.00 N ATOM 865 CA TYR A 62 -11.334 11.511 -11.293 1.00 0.00 C ATOM 866 C TYR A 62 -9.840 11.633 -11.043 1.00 0.00 C ATOM 867 O TYR A 62 -9.057 11.678 -11.990 1.00 0.00 O ATOM 868 CB TYR A 62 -11.978 10.509 -10.328 1.00 0.00 C ATOM 869 CG TYR A 62 -13.431 10.245 -10.647 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.420 11.147 -10.278 1.00 0.00 C ATOM 871 CD2 TYR A 62 -13.815 9.084 -11.303 1.00 0.00 C ATOM 872 CE1 TYR A 62 -15.751 10.896 -10.549 1.00 0.00 C ATOM 873 CE2 TYR A 62 -15.144 8.823 -11.574 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.103 9.785 -11.267 1.00 0.00 C ATOM 875 OH TYR A 62 -17.438 9.471 -11.458 1.00 0.00 O ATOM 0 H TYR A 62 -11.143 10.204 -12.909 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.793 12.484 -11.121 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.426 9.570 -10.364 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.897 10.888 -9.309 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.144 12.060 -9.771 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -13.062 8.372 -11.607 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.513 11.575 -10.195 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.436 7.883 -12.019 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.508 8.651 -11.991 1.00 0.00 H new ATOM 885 N LYS A 63 -9.439 11.687 -9.789 1.00 0.00 N ATOM 886 CA LYS A 63 -8.036 11.841 -9.456 1.00 0.00 C ATOM 887 C LYS A 63 -7.631 10.852 -8.379 1.00 0.00 C ATOM 888 O LYS A 63 -8.448 10.459 -7.546 1.00 0.00 O ATOM 889 CB LYS A 63 -7.760 13.270 -8.983 1.00 0.00 C ATOM 890 CG LYS A 63 -6.393 13.800 -9.386 1.00 0.00 C ATOM 891 CD LYS A 63 -6.334 15.317 -9.283 1.00 0.00 C ATOM 892 CE LYS A 63 -6.687 15.979 -10.605 1.00 0.00 C ATOM 893 NZ LYS A 63 -5.629 15.773 -11.627 1.00 0.00 N ATOM 0 H LYS A 63 -10.063 11.627 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.446 11.642 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.528 13.930 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.847 13.306 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.628 13.360 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.169 13.494 -10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.022 15.657 -8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.334 15.623 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.630 15.576 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.837 17.047 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.713 16.500 -12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.694 15.843 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.738 14.831 -12.055 1.00 0.00 H new ATOM 907 N ALA A 64 -6.380 10.436 -8.409 1.00 0.00 N ATOM 908 CA ALA A 64 -5.841 9.582 -7.364 1.00 0.00 C ATOM 909 C ALA A 64 -4.340 9.798 -7.232 1.00 0.00 C ATOM 910 O ALA A 64 -3.719 10.425 -8.092 1.00 0.00 O ATOM 911 CB ALA A 64 -6.141 8.119 -7.656 1.00 0.00 C ATOM 0 H ALA A 64 -5.716 10.675 -9.145 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.319 9.847 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.729 7.497 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.220 7.972 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.690 7.838 -8.608 1.00 0.00 H new ATOM 917 N THR A 65 -3.766 9.306 -6.144 1.00 0.00 N ATOM 918 CA THR A 65 -2.321 9.349 -5.943 1.00 0.00 C ATOM 919 C THR A 65 -1.877 8.210 -5.031 1.00 0.00 C ATOM 920 O THR A 65 -2.531 7.924 -4.027 1.00 0.00 O ATOM 921 CB THR A 65 -1.868 10.690 -5.334 1.00 0.00 C ATOM 922 OG1 THR A 65 -2.976 11.597 -5.248 1.00 0.00 O ATOM 923 CG2 THR A 65 -0.765 11.312 -6.173 1.00 0.00 C ATOM 0 H THR A 65 -4.282 8.869 -5.380 1.00 0.00 H new ATOM 0 HA THR A 65 -1.857 9.241 -6.923 1.00 0.00 H new ATOM 0 HB THR A 65 -1.484 10.496 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.652 12.518 -5.330 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.458 12.258 -5.727 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.089 10.635 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.133 11.490 -7.184 1.00 0.00 H new ATOM 931 N LEU A 66 -0.777 7.556 -5.387 1.00 0.00 N ATOM 932 CA LEU A 66 -0.269 6.426 -4.614 1.00 0.00 C ATOM 933 C LEU A 66 0.249 6.881 -3.249 1.00 0.00 C ATOM 934 O LEU A 66 1.379 7.356 -3.123 1.00 0.00 O ATOM 935 CB LEU A 66 0.842 5.702 -5.385 1.00 0.00 C ATOM 936 CG LEU A 66 1.574 4.605 -4.605 1.00 0.00 C ATOM 937 CD1 LEU A 66 0.757 3.323 -4.597 1.00 0.00 C ATOM 938 CD2 LEU A 66 2.953 4.361 -5.198 1.00 0.00 C ATOM 0 H LEU A 66 -0.218 7.789 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.095 5.734 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.410 5.260 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.573 6.440 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 66 1.699 4.937 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.292 2.554 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.208 3.509 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.601 2.985 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.459 3.579 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.852 4.049 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.537 5.280 -5.150 1.00 0.00 H new ATOM 950 N ALA A 67 -0.594 6.744 -2.235 1.00 0.00 N ATOM 951 CA ALA A 67 -0.222 7.081 -0.868 1.00 0.00 C ATOM 952 C ALA A 67 0.239 5.836 -0.114 1.00 0.00 C ATOM 953 O ALA A 67 -0.055 5.670 1.072 1.00 0.00 O ATOM 954 CB ALA A 67 -1.395 7.737 -0.152 1.00 0.00 C ATOM 0 H ALA A 67 -1.548 6.399 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 67 0.608 7.787 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.105 7.985 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.680 8.647 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.240 7.049 -0.133 1.00 0.00 H new