USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 400 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 11 TYR OH : rot 180:sc= 1.05 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -168:sc= 1.33 (180deg=0.0714) USER MOD Single : A 9 THR OG1 : rot 24:sc= 0.021 USER MOD Single : A 10 SER OG : rot 20:sc= 0.967 USER MOD Single : A 12 MET CE :methyl -150:sc= 0 (180deg=-0.000228) USER MOD Single : A 13 THR OG1 : rot -95:sc= 1.55 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -85:sc= 0.0861 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.833 K(o=-0.83,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 39 GLN : amide:sc= -0.444 K(o=-0.44,f=-4!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0427 USER MOD Single : A 45 TYR OH : rot -34:sc= 0.981 USER MOD Single : A 57 SER OG : rot 90:sc= 1.49 USER MOD Single : A 58 HIS : no HD1:sc=-0.00756 K(o=-0.0076,f=-1.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N THR A 9 4.534 -2.565 7.834 1.00 0.00 N ATOM 77 CA THR A 9 3.551 -3.459 7.234 1.00 0.00 C ATOM 78 C THR A 9 3.855 -3.702 5.760 1.00 0.00 C ATOM 79 O THR A 9 3.962 -2.760 4.975 1.00 0.00 O ATOM 80 CB THR A 9 2.124 -2.893 7.365 1.00 0.00 C ATOM 81 OG1 THR A 9 1.761 -2.795 8.747 1.00 0.00 O ATOM 82 CG2 THR A 9 1.123 -3.775 6.634 1.00 0.00 C ATOM 0 HA THR A 9 3.611 -4.403 7.775 1.00 0.00 H new ATOM 0 HB THR A 9 2.107 -1.901 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.571 -2.728 9.294 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.123 -3.355 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.385 -3.824 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.143 -4.778 7.060 1.00 0.00 H new ATOM 90 N SER A 10 3.994 -4.971 5.391 1.00 0.00 N ATOM 91 CA SER A 10 4.290 -5.338 4.011 1.00 0.00 C ATOM 92 C SER A 10 3.010 -5.419 3.184 1.00 0.00 C ATOM 93 O SER A 10 1.993 -5.941 3.643 1.00 0.00 O ATOM 94 CB SER A 10 5.027 -6.678 3.964 1.00 0.00 C ATOM 95 OG SER A 10 5.593 -6.903 2.685 1.00 0.00 O ATOM 0 H SER A 10 3.906 -5.763 6.028 1.00 0.00 H new ATOM 0 HA SER A 10 4.929 -4.565 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.812 -6.692 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.336 -7.485 4.207 1.00 0.00 H new ATOM 0 HG SER A 10 5.668 -6.051 2.206 1.00 0.00 H new ATOM 101 N TYR A 11 3.068 -4.899 1.963 1.00 0.00 N ATOM 102 CA TYR A 11 1.914 -4.910 1.072 1.00 0.00 C ATOM 103 C TYR A 11 2.224 -5.675 -0.211 1.00 0.00 C ATOM 104 O TYR A 11 3.343 -6.145 -0.412 1.00 0.00 O ATOM 105 CB TYR A 11 1.489 -3.480 0.737 1.00 0.00 C ATOM 106 CG TYR A 11 0.961 -2.710 1.927 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.776 -2.435 3.018 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.352 -2.257 1.959 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.298 -1.733 4.107 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.838 -1.553 3.043 1.00 0.00 C ATOM 111 CZ TYR A 11 -0.010 -1.294 4.115 1.00 0.00 C ATOM 112 OH TYR A 11 -0.489 -0.592 5.198 1.00 0.00 O ATOM 0 H TYR A 11 3.902 -4.465 1.568 1.00 0.00 H new ATOM 0 HA TYR A 11 1.095 -5.414 1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.342 -2.945 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.721 -3.510 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.801 -2.776 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.004 -2.459 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.944 -1.529 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.861 -1.207 3.051 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.428 -0.355 5.045 1.00 0.00 H new ATOM 122 N MET A 12 1.223 -5.794 -1.077 1.00 0.00 N ATOM 123 CA MET A 12 1.388 -6.500 -2.342 1.00 0.00 C ATOM 124 C MET A 12 1.136 -5.566 -3.522 1.00 0.00 C ATOM 125 O MET A 12 0.196 -4.771 -3.510 1.00 0.00 O ATOM 126 CB MET A 12 0.436 -7.696 -2.412 1.00 0.00 C ATOM 127 CG MET A 12 1.029 -8.977 -1.849 1.00 0.00 C ATOM 128 SD MET A 12 0.293 -10.458 -2.569 1.00 0.00 S ATOM 129 CE MET A 12 1.168 -10.547 -4.129 1.00 0.00 C ATOM 0 H MET A 12 0.290 -5.411 -0.926 1.00 0.00 H new ATOM 0 HA MET A 12 2.416 -6.859 -2.397 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.476 -7.457 -1.866 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.151 -7.863 -3.451 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.104 -8.985 -2.030 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.887 -8.994 -0.768 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.528 -11.013 -4.879 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.436 -9.542 -4.454 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.073 -11.141 -4.005 1.00 0.00 H new ATOM 139 N THR A 13 1.983 -5.667 -4.542 1.00 0.00 N ATOM 140 CA THR A 13 1.854 -4.831 -5.729 1.00 0.00 C ATOM 141 C THR A 13 0.881 -5.444 -6.730 1.00 0.00 C ATOM 142 O THR A 13 0.996 -6.619 -7.082 1.00 0.00 O ATOM 143 CB THR A 13 3.215 -4.619 -6.418 1.00 0.00 C ATOM 144 OG1 THR A 13 3.773 -5.881 -6.800 1.00 0.00 O ATOM 145 CG2 THR A 13 4.181 -3.890 -5.495 1.00 0.00 C ATOM 0 H THR A 13 2.766 -6.320 -4.570 1.00 0.00 H new ATOM 0 HA THR A 13 1.470 -3.867 -5.396 1.00 0.00 H new ATOM 0 HB THR A 13 3.056 -4.009 -7.307 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.386 -6.192 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.135 -3.752 -6.003 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.767 -2.917 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.334 -4.478 -4.590 1.00 0.00 H new ATOM 153 N CYS A 14 -0.075 -4.642 -7.185 1.00 0.00 N ATOM 154 CA CYS A 14 -1.069 -5.107 -8.146 1.00 0.00 C ATOM 155 C CYS A 14 -0.633 -4.793 -9.574 1.00 0.00 C ATOM 156 O CYS A 14 -1.216 -5.292 -10.536 1.00 0.00 O ATOM 157 CB CYS A 14 -2.426 -4.461 -7.861 1.00 0.00 C ATOM 158 SG CYS A 14 -3.835 -5.382 -8.520 1.00 0.00 S ATOM 0 H CYS A 14 -0.183 -3.667 -6.904 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.160 -6.188 -8.042 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.547 -4.356 -6.783 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.434 -3.456 -8.282 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.937 -4.758 -8.226 1.00 0.00 H new ATOM 164 N SER A 15 0.396 -3.961 -9.703 1.00 0.00 N ATOM 165 CA SER A 15 0.907 -3.576 -11.013 1.00 0.00 C ATOM 166 C SER A 15 2.354 -3.101 -10.914 1.00 0.00 C ATOM 167 O SER A 15 2.877 -2.893 -9.819 1.00 0.00 O ATOM 168 CB SER A 15 0.037 -2.473 -11.620 1.00 0.00 C ATOM 169 OG SER A 15 0.080 -2.511 -13.036 1.00 0.00 O ATOM 0 H SER A 15 0.892 -3.541 -8.917 1.00 0.00 H new ATOM 0 HA SER A 15 0.874 -4.453 -11.660 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.992 -2.589 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.380 -1.500 -11.269 1.00 0.00 H new ATOM 0 HG SER A 15 -0.485 -1.798 -13.400 1.00 0.00 H new ATOM 175 N ALA A 16 2.995 -2.931 -12.066 1.00 0.00 N ATOM 176 CA ALA A 16 4.380 -2.479 -12.110 1.00 0.00 C ATOM 177 C ALA A 16 4.464 -0.959 -12.021 1.00 0.00 C ATOM 178 O ALA A 16 3.794 -0.246 -12.768 1.00 0.00 O ATOM 179 CB ALA A 16 5.057 -2.974 -13.379 1.00 0.00 C ATOM 0 H ALA A 16 2.577 -3.100 -12.981 1.00 0.00 H new ATOM 0 HA ALA A 16 4.900 -2.897 -11.248 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.091 -2.629 -13.398 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.038 -4.064 -13.400 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.528 -2.585 -14.249 1.00 0.00 H new ATOM 185 N TYR A 17 5.291 -0.470 -11.103 1.00 0.00 N ATOM 186 CA TYR A 17 5.460 0.966 -10.915 1.00 0.00 C ATOM 187 C TYR A 17 6.761 1.449 -11.549 1.00 0.00 C ATOM 188 O TYR A 17 7.785 0.771 -11.482 1.00 0.00 O ATOM 189 CB TYR A 17 5.447 1.311 -9.425 1.00 0.00 C ATOM 190 CG TYR A 17 6.010 2.680 -9.116 1.00 0.00 C ATOM 191 CD1 TYR A 17 7.369 2.859 -8.885 1.00 0.00 C ATOM 192 CD2 TYR A 17 5.183 3.795 -9.055 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.887 4.108 -8.602 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.693 5.048 -8.773 1.00 0.00 C ATOM 195 CZ TYR A 17 7.045 5.199 -8.547 1.00 0.00 C ATOM 196 OH TYR A 17 7.557 6.445 -8.266 1.00 0.00 O ATOM 0 H TYR A 17 5.854 -1.047 -10.478 1.00 0.00 H new ATOM 0 HA TYR A 17 4.628 1.472 -11.406 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.422 1.257 -9.057 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.021 0.560 -8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.031 2.007 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.124 3.680 -9.231 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.945 4.229 -8.425 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.036 5.904 -8.730 1.00 0.00 H new ATOM 0 HH TYR A 17 7.623 6.560 -7.295 1.00 0.00 H new ATOM 206 N GLN A 18 6.710 2.626 -12.164 1.00 0.00 N ATOM 207 CA GLN A 18 7.884 3.201 -12.811 1.00 0.00 C ATOM 208 C GLN A 18 8.455 4.348 -11.983 1.00 0.00 C ATOM 209 O GLN A 18 7.732 5.266 -11.593 1.00 0.00 O ATOM 210 CB GLN A 18 7.528 3.696 -14.214 1.00 0.00 C ATOM 211 CG GLN A 18 8.742 3.993 -15.080 1.00 0.00 C ATOM 212 CD GLN A 18 8.474 5.075 -16.108 1.00 0.00 C ATOM 213 OE1 GLN A 18 7.580 4.945 -16.944 1.00 0.00 O ATOM 214 NE2 GLN A 18 9.251 6.150 -16.051 1.00 0.00 N ATOM 0 H GLN A 18 5.869 3.200 -12.228 1.00 0.00 H new ATOM 0 HA GLN A 18 8.642 2.422 -12.890 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.913 2.945 -14.710 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.923 4.599 -14.129 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.572 4.300 -14.443 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.052 3.081 -15.590 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.980 6.215 -15.341 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.119 6.911 -16.717 1.00 0.00 H new ATOM 223 N LYS A 19 9.755 4.290 -11.718 1.00 0.00 N ATOM 224 CA LYS A 19 10.424 5.324 -10.938 1.00 0.00 C ATOM 225 C LYS A 19 10.845 6.490 -11.827 1.00 0.00 C ATOM 226 O LYS A 19 11.294 6.292 -12.956 1.00 0.00 O ATOM 227 CB LYS A 19 11.649 4.743 -10.227 1.00 0.00 C ATOM 228 CG LYS A 19 12.691 4.176 -11.176 1.00 0.00 C ATOM 229 CD LYS A 19 13.706 5.230 -11.583 1.00 0.00 C ATOM 230 CE LYS A 19 14.812 5.369 -10.548 1.00 0.00 C ATOM 231 NZ LYS A 19 15.930 4.418 -10.800 1.00 0.00 N ATOM 0 H LYS A 19 10.367 3.537 -12.032 1.00 0.00 H new ATOM 0 HA LYS A 19 9.720 5.694 -10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.109 5.522 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.324 3.957 -9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.204 3.341 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.199 3.781 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.140 4.965 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.204 6.189 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.194 6.390 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.403 5.193 -9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.663 4.544 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.571 3.443 -10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.338 4.602 -11.739 1.00 0.00 H new ATOM 245 N VAL A 20 10.698 7.705 -11.309 1.00 0.00 N ATOM 246 CA VAL A 20 11.066 8.903 -12.055 1.00 0.00 C ATOM 247 C VAL A 20 12.384 9.480 -11.553 1.00 0.00 C ATOM 248 O VAL A 20 13.202 9.958 -12.339 1.00 0.00 O ATOM 249 CB VAL A 20 9.973 9.984 -11.954 1.00 0.00 C ATOM 250 CG1 VAL A 20 9.735 10.369 -10.502 1.00 0.00 C ATOM 251 CG2 VAL A 20 10.352 11.203 -12.782 1.00 0.00 C ATOM 0 H VAL A 20 10.327 7.886 -10.376 1.00 0.00 H new ATOM 0 HA VAL A 20 11.177 8.605 -13.098 1.00 0.00 H new ATOM 0 HB VAL A 20 9.045 9.576 -12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.960 11.134 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.416 9.491 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.658 10.759 -10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.569 11.957 -12.699 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.292 11.615 -12.414 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.467 10.912 -13.826 1.00 0.00 H new ATOM 261 N GLN A 21 12.584 9.432 -10.240 1.00 0.00 N ATOM 262 CA GLN A 21 13.804 9.951 -9.633 1.00 0.00 C ATOM 263 C GLN A 21 14.674 8.815 -9.105 1.00 0.00 C ATOM 264 O GLN A 21 14.186 7.717 -8.840 1.00 0.00 O ATOM 265 CB GLN A 21 13.463 10.918 -8.498 1.00 0.00 C ATOM 266 CG GLN A 21 13.054 12.301 -8.979 1.00 0.00 C ATOM 267 CD GLN A 21 13.902 12.790 -10.137 1.00 0.00 C ATOM 268 OE1 GLN A 21 15.121 12.613 -10.147 1.00 0.00 O ATOM 269 NE2 GLN A 21 13.261 13.410 -11.120 1.00 0.00 N ATOM 0 H GLN A 21 11.917 9.039 -9.576 1.00 0.00 H new ATOM 0 HA GLN A 21 14.363 10.486 -10.401 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.654 10.495 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.327 11.012 -7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.007 12.281 -9.283 1.00 0.00 H new ATOM 0 HG3 GLN A 21 13.133 13.007 -8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.250 13.535 -11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.780 13.762 -11.925 1.00 0.00 H new ATOM 278 N ASP A 22 15.966 9.087 -8.956 1.00 0.00 N ATOM 279 CA ASP A 22 16.905 8.089 -8.458 1.00 0.00 C ATOM 280 C ASP A 22 16.444 7.529 -7.116 1.00 0.00 C ATOM 281 O ASP A 22 16.754 6.390 -6.768 1.00 0.00 O ATOM 282 CB ASP A 22 18.302 8.696 -8.319 1.00 0.00 C ATOM 283 CG ASP A 22 18.760 9.392 -9.586 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.926 8.703 -10.613 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.954 10.625 -9.549 1.00 0.00 O ATOM 0 H ASP A 22 16.387 9.990 -9.173 1.00 0.00 H new ATOM 0 HA ASP A 22 16.943 7.271 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.305 9.409 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 22 19.012 7.910 -8.063 1.00 0.00 H new ATOM 290 N SER A 23 15.702 8.339 -6.367 1.00 0.00 N ATOM 291 CA SER A 23 15.202 7.926 -5.061 1.00 0.00 C ATOM 292 C SER A 23 14.167 6.815 -5.202 1.00 0.00 C ATOM 293 O SER A 23 14.268 5.773 -4.555 1.00 0.00 O ATOM 294 CB SER A 23 14.589 9.120 -4.326 1.00 0.00 C ATOM 295 OG SER A 23 15.591 10.027 -3.901 1.00 0.00 O ATOM 0 H SER A 23 15.434 9.284 -6.642 1.00 0.00 H new ATOM 0 HA SER A 23 16.042 7.544 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.885 9.632 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.023 8.768 -3.463 1.00 0.00 H new ATOM 0 HG SER A 23 15.173 10.782 -3.436 1.00 0.00 H new ATOM 301 N GLU A 24 13.171 7.046 -6.051 1.00 0.00 N ATOM 302 CA GLU A 24 12.116 6.065 -6.276 1.00 0.00 C ATOM 303 C GLU A 24 12.679 4.799 -6.916 1.00 0.00 C ATOM 304 O GLU A 24 13.780 4.805 -7.466 1.00 0.00 O ATOM 305 CB GLU A 24 11.021 6.656 -7.167 1.00 0.00 C ATOM 306 CG GLU A 24 10.224 7.763 -6.498 1.00 0.00 C ATOM 307 CD GLU A 24 10.899 9.116 -6.608 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.821 9.385 -5.809 1.00 0.00 O ATOM 309 OE2 GLU A 24 10.506 9.906 -7.492 1.00 0.00 O ATOM 0 H GLU A 24 13.072 7.904 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 24 11.686 5.803 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.476 7.047 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.340 5.860 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.234 7.817 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.080 7.517 -5.446 1.00 0.00 H new ATOM 316 N ILE A 25 11.915 3.714 -6.838 1.00 0.00 N ATOM 317 CA ILE A 25 12.336 2.441 -7.409 1.00 0.00 C ATOM 318 C ILE A 25 11.178 1.747 -8.119 1.00 0.00 C ATOM 319 O ILE A 25 10.047 1.752 -7.634 1.00 0.00 O ATOM 320 CB ILE A 25 12.900 1.499 -6.329 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.834 0.046 -6.804 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.136 1.671 -5.025 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.489 -0.605 -6.573 1.00 0.00 C ATOM 0 H ILE A 25 11.001 3.692 -6.385 1.00 0.00 H new ATOM 0 HA ILE A 25 13.121 2.663 -8.132 1.00 0.00 H new ATOM 0 HB ILE A 25 13.944 1.757 -6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.068 0.009 -7.868 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.601 -0.531 -6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.546 0.999 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.230 2.701 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.084 1.437 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.516 -1.633 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.261 -0.600 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.720 -0.051 -7.111 1.00 0.00 H new ATOM 335 N SER A 26 11.470 1.149 -9.270 1.00 0.00 N ATOM 336 CA SER A 26 10.453 0.452 -10.048 1.00 0.00 C ATOM 337 C SER A 26 10.427 -1.034 -9.701 1.00 0.00 C ATOM 338 O SER A 26 11.471 -1.680 -9.611 1.00 0.00 O ATOM 339 CB SER A 26 10.713 0.633 -11.545 1.00 0.00 C ATOM 340 OG SER A 26 12.010 0.183 -11.896 1.00 0.00 O ATOM 0 H SER A 26 12.402 1.133 -9.684 1.00 0.00 H new ATOM 0 HA SER A 26 9.483 0.882 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.966 0.081 -12.116 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.605 1.684 -11.811 1.00 0.00 H new ATOM 0 HG SER A 26 12.150 0.308 -12.858 1.00 0.00 H new ATOM 346 N PHE A 27 9.226 -1.568 -9.507 1.00 0.00 N ATOM 347 CA PHE A 27 9.063 -2.977 -9.169 1.00 0.00 C ATOM 348 C PHE A 27 8.031 -3.639 -10.078 1.00 0.00 C ATOM 349 O PHE A 27 7.091 -3.004 -10.557 1.00 0.00 O ATOM 350 CB PHE A 27 8.640 -3.127 -7.706 1.00 0.00 C ATOM 351 CG PHE A 27 7.583 -2.146 -7.284 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.268 -2.307 -7.691 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.904 -1.063 -6.482 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.293 -1.407 -7.304 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.934 -0.160 -6.092 1.00 0.00 C ATOM 356 CZ PHE A 27 5.627 -0.331 -6.505 1.00 0.00 C ATOM 0 H PHE A 27 8.352 -1.047 -9.578 1.00 0.00 H new ATOM 0 HA PHE A 27 10.022 -3.473 -9.316 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.270 -4.139 -7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.515 -3.003 -7.068 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.002 -3.145 -8.318 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.925 -0.923 -6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.271 -1.545 -7.626 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.197 0.679 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.868 0.375 -6.204 1.00 0.00 H new ATOM 366 N PRO A 28 8.211 -4.945 -10.323 1.00 0.00 N ATOM 367 CA PRO A 28 7.306 -5.722 -11.177 1.00 0.00 C ATOM 368 C PRO A 28 5.939 -5.930 -10.534 1.00 0.00 C ATOM 369 O PRO A 28 5.738 -5.609 -9.363 1.00 0.00 O ATOM 370 CB PRO A 28 8.032 -7.061 -11.336 1.00 0.00 C ATOM 371 CG PRO A 28 8.896 -7.170 -10.127 1.00 0.00 C ATOM 372 CD PRO A 28 9.310 -5.765 -9.786 1.00 0.00 C ATOM 0 HA PRO A 28 7.102 -5.217 -12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.326 -7.890 -11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.626 -7.083 -12.250 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.354 -7.629 -9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.766 -7.796 -10.324 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.424 -5.630 -8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.265 -5.506 -10.243 1.00 0.00 H new ATOM 380 N ALA A 29 5.003 -6.470 -11.308 1.00 0.00 N ATOM 381 CA ALA A 29 3.656 -6.723 -10.813 1.00 0.00 C ATOM 382 C ALA A 29 3.524 -8.147 -10.283 1.00 0.00 C ATOM 383 O ALA A 29 3.497 -9.106 -11.052 1.00 0.00 O ATOM 384 CB ALA A 29 2.634 -6.470 -11.911 1.00 0.00 C ATOM 0 H ALA A 29 5.153 -6.740 -12.280 1.00 0.00 H new ATOM 0 HA ALA A 29 3.464 -6.037 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.632 -6.663 -11.527 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.703 -5.433 -12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.834 -7.132 -12.753 1.00 0.00 H new ATOM 390 N GLY A 30 3.443 -8.277 -8.962 1.00 0.00 N ATOM 391 CA GLY A 30 3.317 -9.588 -8.352 1.00 0.00 C ATOM 392 C GLY A 30 4.330 -9.813 -7.247 1.00 0.00 C ATOM 393 O GLY A 30 4.660 -10.954 -6.921 1.00 0.00 O ATOM 0 H GLY A 30 3.462 -7.498 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.311 -9.702 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.442 -10.355 -9.117 1.00 0.00 H new ATOM 397 N VAL A 31 4.827 -8.724 -6.670 1.00 0.00 N ATOM 398 CA VAL A 31 5.809 -8.808 -5.596 1.00 0.00 C ATOM 399 C VAL A 31 5.417 -7.918 -4.422 1.00 0.00 C ATOM 400 O VAL A 31 4.907 -6.814 -4.611 1.00 0.00 O ATOM 401 CB VAL A 31 7.213 -8.404 -6.086 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.706 -9.373 -7.150 1.00 0.00 C ATOM 403 CG2 VAL A 31 7.202 -6.978 -6.616 1.00 0.00 C ATOM 0 H VAL A 31 4.565 -7.773 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 31 5.832 -9.847 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 31 7.901 -8.448 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.699 -9.072 -7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.753 -10.379 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.020 -9.364 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.201 -6.709 -6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.502 -6.905 -7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.895 -6.297 -5.822 1.00 0.00 H new ATOM 413 N GLU A 32 5.661 -8.405 -3.210 1.00 0.00 N ATOM 414 CA GLU A 32 5.332 -7.653 -2.004 1.00 0.00 C ATOM 415 C GLU A 32 6.349 -6.540 -1.764 1.00 0.00 C ATOM 416 O GLU A 32 7.397 -6.492 -2.408 1.00 0.00 O ATOM 417 CB GLU A 32 5.284 -8.585 -0.792 1.00 0.00 C ATOM 418 CG GLU A 32 6.614 -8.712 -0.068 1.00 0.00 C ATOM 419 CD GLU A 32 7.658 -9.443 -0.890 1.00 0.00 C ATOM 420 OE1 GLU A 32 7.288 -10.398 -1.605 1.00 0.00 O ATOM 421 OE2 GLU A 32 8.845 -9.061 -0.819 1.00 0.00 O ATOM 0 H GLU A 32 6.085 -9.316 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 32 4.350 -7.201 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.533 -8.219 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.961 -9.574 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.984 -7.718 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.462 -9.241 0.873 1.00 0.00 H new ATOM 428 N VAL A 33 6.030 -5.647 -0.833 1.00 0.00 N ATOM 429 CA VAL A 33 6.914 -4.534 -0.506 1.00 0.00 C ATOM 430 C VAL A 33 6.749 -4.111 0.949 1.00 0.00 C ATOM 431 O VAL A 33 5.695 -4.317 1.549 1.00 0.00 O ATOM 432 CB VAL A 33 6.648 -3.320 -1.416 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.163 -3.584 -2.823 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.164 -2.985 -1.437 1.00 0.00 C ATOM 0 H VAL A 33 5.166 -5.672 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 33 7.934 -4.882 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 33 7.185 -2.461 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.966 -2.715 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.236 -3.771 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.656 -4.455 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.994 -2.125 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.603 -3.840 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.830 -2.750 -0.427 1.00 0.00 H new ATOM 444 N GLN A 34 7.799 -3.517 1.509 1.00 0.00 N ATOM 445 CA GLN A 34 7.770 -3.064 2.895 1.00 0.00 C ATOM 446 C GLN A 34 7.547 -1.557 2.970 1.00 0.00 C ATOM 447 O GLN A 34 8.363 -0.774 2.485 1.00 0.00 O ATOM 448 CB GLN A 34 9.075 -3.436 3.602 1.00 0.00 C ATOM 449 CG GLN A 34 9.024 -3.248 5.109 1.00 0.00 C ATOM 450 CD GLN A 34 8.516 -4.479 5.834 1.00 0.00 C ATOM 451 OE1 GLN A 34 9.213 -5.489 5.930 1.00 0.00 O ATOM 452 NE2 GLN A 34 7.294 -4.400 6.349 1.00 0.00 N ATOM 0 H GLN A 34 8.679 -3.339 1.025 1.00 0.00 H new ATOM 0 HA GLN A 34 6.940 -3.560 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.314 -4.476 3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.885 -2.830 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.021 -3.001 5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.380 -2.401 5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.751 -3.543 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.898 -5.197 6.848 1.00 0.00 H new ATOM 461 N VAL A 35 6.437 -1.158 3.582 1.00 0.00 N ATOM 462 CA VAL A 35 6.108 0.255 3.723 1.00 0.00 C ATOM 463 C VAL A 35 6.796 0.862 4.940 1.00 0.00 C ATOM 464 O VAL A 35 6.398 0.615 6.079 1.00 0.00 O ATOM 465 CB VAL A 35 4.587 0.467 3.848 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.270 1.937 4.079 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.874 -0.052 2.608 1.00 0.00 C ATOM 0 H VAL A 35 5.750 -1.794 3.988 1.00 0.00 H new ATOM 0 HA VAL A 35 6.465 0.754 2.822 1.00 0.00 H new ATOM 0 HB VAL A 35 4.228 -0.097 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.191 2.067 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.750 2.273 4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.641 2.525 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.801 0.106 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.235 0.483 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.075 -1.117 2.492 1.00 0.00 H new ATOM 477 N LEU A 36 7.831 1.657 4.692 1.00 0.00 N ATOM 478 CA LEU A 36 8.576 2.301 5.768 1.00 0.00 C ATOM 479 C LEU A 36 7.818 3.511 6.307 1.00 0.00 C ATOM 480 O LEU A 36 7.442 3.548 7.478 1.00 0.00 O ATOM 481 CB LEU A 36 9.958 2.730 5.273 1.00 0.00 C ATOM 482 CG LEU A 36 10.861 1.612 4.752 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.047 2.191 3.997 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.334 0.730 5.898 1.00 0.00 C ATOM 0 H LEU A 36 8.173 1.871 3.755 1.00 0.00 H new ATOM 0 HA LEU A 36 8.695 1.580 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.825 3.463 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.474 3.235 6.090 1.00 0.00 H new ATOM 0 HG LEU A 36 10.283 0.997 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.678 1.380 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.689 2.778 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.626 2.830 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.976 -0.060 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.894 1.332 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.472 0.285 6.395 1.00 0.00 H new ATOM 496 N GLU A 37 7.597 4.497 5.443 1.00 0.00 N ATOM 497 CA GLU A 37 6.882 5.707 5.833 1.00 0.00 C ATOM 498 C GLU A 37 5.734 5.995 4.870 1.00 0.00 C ATOM 499 O GLU A 37 5.723 5.514 3.737 1.00 0.00 O ATOM 500 CB GLU A 37 7.840 6.900 5.874 1.00 0.00 C ATOM 501 CG GLU A 37 7.436 7.970 6.875 1.00 0.00 C ATOM 502 CD GLU A 37 7.015 7.390 8.211 1.00 0.00 C ATOM 503 OE1 GLU A 37 7.693 6.460 8.695 1.00 0.00 O ATOM 504 OE2 GLU A 37 6.007 7.868 8.773 1.00 0.00 O ATOM 0 H GLU A 37 7.902 4.482 4.470 1.00 0.00 H new ATOM 0 HA GLU A 37 6.467 5.549 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.840 6.544 6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.895 7.346 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.271 8.654 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.615 8.556 6.463 1.00 0.00 H new ATOM 511 N LYS A 38 4.768 6.783 5.330 1.00 0.00 N ATOM 512 CA LYS A 38 3.615 7.138 4.511 1.00 0.00 C ATOM 513 C LYS A 38 3.394 8.647 4.507 1.00 0.00 C ATOM 514 O LYS A 38 3.614 9.318 5.515 1.00 0.00 O ATOM 515 CB LYS A 38 2.361 6.429 5.027 1.00 0.00 C ATOM 516 CG LYS A 38 2.361 4.931 4.775 1.00 0.00 C ATOM 517 CD LYS A 38 0.995 4.321 5.039 1.00 0.00 C ATOM 518 CE LYS A 38 1.020 2.808 4.878 1.00 0.00 C ATOM 519 NZ LYS A 38 -0.320 2.203 5.117 1.00 0.00 N ATOM 0 H LYS A 38 4.761 7.188 6.266 1.00 0.00 H new ATOM 0 HA LYS A 38 3.813 6.816 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.267 6.609 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.484 6.869 4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.655 4.735 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.103 4.454 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.671 4.575 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.265 4.749 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.359 2.555 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.741 2.380 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.225 1.171 5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.722 2.585 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.950 2.430 4.322 1.00 0.00 H new ATOM 533 N GLN A 39 2.955 9.173 3.368 1.00 0.00 N ATOM 534 CA GLN A 39 2.704 10.603 3.235 1.00 0.00 C ATOM 535 C GLN A 39 1.229 10.873 2.958 1.00 0.00 C ATOM 536 O GLN A 39 0.589 10.150 2.195 1.00 0.00 O ATOM 537 CB GLN A 39 3.561 11.191 2.113 1.00 0.00 C ATOM 538 CG GLN A 39 5.043 11.250 2.447 1.00 0.00 C ATOM 539 CD GLN A 39 5.389 12.406 3.364 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.710 12.645 4.364 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.449 13.132 3.029 1.00 0.00 N ATOM 0 H GLN A 39 2.766 8.631 2.525 1.00 0.00 H new ATOM 0 HA GLN A 39 2.972 11.082 4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.424 10.594 1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.208 12.197 1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.343 10.314 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.616 11.339 1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.983 12.899 2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.729 13.923 3.609 1.00 0.00 H new ATOM 550 N GLU A 40 0.695 11.918 3.584 1.00 0.00 N ATOM 551 CA GLU A 40 -0.706 12.281 3.405 1.00 0.00 C ATOM 552 C GLU A 40 -1.051 12.405 1.924 1.00 0.00 C ATOM 553 O GLU A 40 -2.101 11.941 1.480 1.00 0.00 O ATOM 554 CB GLU A 40 -1.010 13.598 4.123 1.00 0.00 C ATOM 555 CG GLU A 40 -0.983 13.485 5.638 1.00 0.00 C ATOM 556 CD GLU A 40 0.424 13.347 6.188 1.00 0.00 C ATOM 557 OE1 GLU A 40 1.282 14.183 5.837 1.00 0.00 O ATOM 558 OE2 GLU A 40 0.666 12.403 6.968 1.00 0.00 O ATOM 0 H GLU A 40 1.211 12.527 4.219 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.318 11.490 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.284 14.349 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.992 13.954 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.454 14.367 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.575 12.623 5.945 1.00 0.00 H new ATOM 565 N SER A 41 -0.159 13.034 1.165 1.00 0.00 N ATOM 566 CA SER A 41 -0.370 13.224 -0.265 1.00 0.00 C ATOM 567 C SER A 41 -0.862 11.935 -0.917 1.00 0.00 C ATOM 568 O SER A 41 -1.772 11.953 -1.745 1.00 0.00 O ATOM 569 CB SER A 41 0.924 13.687 -0.936 1.00 0.00 C ATOM 570 OG SER A 41 1.917 12.678 -0.879 1.00 0.00 O ATOM 0 H SER A 41 0.717 13.421 1.517 1.00 0.00 H new ATOM 0 HA SER A 41 -1.133 13.991 -0.396 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.725 13.948 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.289 14.589 -0.445 1.00 0.00 H new ATOM 0 HG SER A 41 2.734 12.998 -1.316 1.00 0.00 H new ATOM 576 N GLY A 42 -0.251 10.817 -0.537 1.00 0.00 N ATOM 577 CA GLY A 42 -0.639 9.534 -1.093 1.00 0.00 C ATOM 578 C GLY A 42 0.555 8.665 -1.435 1.00 0.00 C ATOM 579 O GLY A 42 0.423 7.451 -1.593 1.00 0.00 O ATOM 0 H GLY A 42 0.506 10.777 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.274 9.009 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.235 9.696 -1.991 1.00 0.00 H new ATOM 583 N TRP A 43 1.723 9.287 -1.550 1.00 0.00 N ATOM 584 CA TRP A 43 2.946 8.562 -1.877 1.00 0.00 C ATOM 585 C TRP A 43 3.551 7.925 -0.631 1.00 0.00 C ATOM 586 O TRP A 43 3.853 8.613 0.344 1.00 0.00 O ATOM 587 CB TRP A 43 3.961 9.502 -2.529 1.00 0.00 C ATOM 588 CG TRP A 43 3.601 9.884 -3.933 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.781 10.906 -4.319 1.00 0.00 C ATOM 590 CD2 TRP A 43 4.047 9.249 -5.136 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.690 10.944 -5.690 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.459 9.939 -6.214 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.888 8.166 -5.407 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.685 9.578 -7.540 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.111 7.810 -6.723 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.512 8.514 -7.776 1.00 0.00 C ATOM 0 H TRP A 43 1.849 10.291 -1.422 1.00 0.00 H new ATOM 0 HA TRP A 43 2.692 7.769 -2.580 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.049 10.405 -1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.940 9.023 -2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.278 11.584 -3.646 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.139 11.612 -6.229 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.355 7.618 -4.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.224 10.119 -8.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.758 6.974 -6.944 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.707 8.211 -8.794 1.00 0.00 H new ATOM 607 N TRP A 44 3.725 6.609 -0.670 1.00 0.00 N ATOM 608 CA TRP A 44 4.295 5.880 0.458 1.00 0.00 C ATOM 609 C TRP A 44 5.679 5.342 0.114 1.00 0.00 C ATOM 610 O TRP A 44 5.925 4.909 -1.012 1.00 0.00 O ATOM 611 CB TRP A 44 3.373 4.730 0.866 1.00 0.00 C ATOM 612 CG TRP A 44 1.990 5.177 1.231 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.565 6.463 1.410 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.852 4.341 1.464 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.232 6.476 1.740 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.229 5.186 1.779 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.641 2.960 1.435 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.501 4.694 2.064 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.621 2.473 1.718 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.679 3.338 2.028 1.00 0.00 C ATOM 0 H TRP A 44 3.480 6.025 -1.470 1.00 0.00 H new ATOM 0 HA TRP A 44 4.393 6.572 1.295 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.311 4.015 0.045 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.813 4.205 1.714 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.186 7.341 1.307 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.325 7.310 1.926 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.450 2.285 1.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.317 5.359 2.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.795 1.407 1.700 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.654 2.926 2.243 1.00 0.00 H new ATOM 631 N TYR A 45 6.579 5.371 1.090 1.00 0.00 N ATOM 632 CA TYR A 45 7.940 4.888 0.890 1.00 0.00 C ATOM 633 C TYR A 45 8.022 3.381 1.118 1.00 0.00 C ATOM 634 O TYR A 45 7.955 2.909 2.253 1.00 0.00 O ATOM 635 CB TYR A 45 8.905 5.611 1.831 1.00 0.00 C ATOM 636 CG TYR A 45 10.335 5.623 1.340 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.637 5.973 0.029 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.384 5.285 2.185 1.00 0.00 C ATOM 639 CE1 TYR A 45 11.942 5.985 -0.424 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.692 5.296 1.741 1.00 0.00 C ATOM 641 CZ TYR A 45 12.966 5.646 0.435 1.00 0.00 C ATOM 642 OH TYR A 45 14.267 5.657 -0.011 1.00 0.00 O ATOM 0 H TYR A 45 6.391 5.724 2.028 1.00 0.00 H new ATOM 0 HA TYR A 45 8.225 5.098 -0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.567 6.639 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.870 5.134 2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.838 6.240 -0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.173 5.009 3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.159 6.259 -1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.496 5.032 2.412 1.00 0.00 H new ATOM 0 HH TYR A 45 14.292 5.385 -0.952 1.00 0.00 H new ATOM 652 N VAL A 46 8.170 2.631 0.031 1.00 0.00 N ATOM 653 CA VAL A 46 8.263 1.179 0.111 1.00 0.00 C ATOM 654 C VAL A 46 9.698 0.708 -0.098 1.00 0.00 C ATOM 655 O VAL A 46 10.545 1.461 -0.580 1.00 0.00 O ATOM 656 CB VAL A 46 7.355 0.499 -0.931 1.00 0.00 C ATOM 657 CG1 VAL A 46 5.937 0.365 -0.397 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.370 1.277 -2.238 1.00 0.00 C ATOM 0 H VAL A 46 8.228 3.006 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 46 7.932 0.896 1.110 1.00 0.00 H new ATOM 0 HB VAL A 46 7.740 -0.502 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.310 -0.118 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.946 -0.238 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.538 1.354 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.723 0.783 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.010 2.291 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.388 1.316 -2.627 1.00 0.00 H new ATOM 668 N ARG A 47 9.964 -0.542 0.267 1.00 0.00 N ATOM 669 CA ARG A 47 11.298 -1.113 0.120 1.00 0.00 C ATOM 670 C ARG A 47 11.241 -2.438 -0.635 1.00 0.00 C ATOM 671 O ARG A 47 10.571 -3.379 -0.208 1.00 0.00 O ATOM 672 CB ARG A 47 11.940 -1.323 1.492 1.00 0.00 C ATOM 673 CG ARG A 47 13.377 -1.812 1.424 1.00 0.00 C ATOM 674 CD ARG A 47 13.934 -2.102 2.809 1.00 0.00 C ATOM 675 NE ARG A 47 13.136 -3.095 3.522 1.00 0.00 N ATOM 676 CZ ARG A 47 13.510 -3.652 4.669 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.663 -3.315 5.228 1.00 0.00 N ATOM 678 NH2 ARG A 47 12.729 -4.549 5.258 1.00 0.00 N ATOM 0 H ARG A 47 9.274 -1.178 0.666 1.00 0.00 H new ATOM 0 HA ARG A 47 11.905 -0.413 -0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.911 -0.384 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.346 -2.043 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.427 -2.714 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.995 -1.061 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.960 -2.458 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.966 -1.179 3.388 1.00 0.00 H new ATOM 0 HE ARG A 47 12.243 -3.377 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.266 -2.626 4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.948 -3.744 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.841 -4.811 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.017 -4.976 6.138 1.00 0.00 H new ATOM 692 N PHE A 48 11.948 -2.504 -1.758 1.00 0.00 N ATOM 693 CA PHE A 48 11.977 -3.713 -2.573 1.00 0.00 C ATOM 694 C PHE A 48 13.365 -4.347 -2.557 1.00 0.00 C ATOM 695 O PHE A 48 14.240 -3.971 -3.335 1.00 0.00 O ATOM 696 CB PHE A 48 11.567 -3.393 -4.012 1.00 0.00 C ATOM 697 CG PHE A 48 11.342 -4.615 -4.857 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.584 -5.673 -4.380 1.00 0.00 C ATOM 699 CD2 PHE A 48 11.887 -4.705 -6.127 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.376 -6.798 -5.155 1.00 0.00 C ATOM 701 CE2 PHE A 48 11.682 -5.828 -6.907 1.00 0.00 C ATOM 702 CZ PHE A 48 10.925 -6.875 -6.421 1.00 0.00 C ATOM 0 H PHE A 48 12.509 -1.735 -2.125 1.00 0.00 H new ATOM 0 HA PHE A 48 11.267 -4.424 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.654 -2.798 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.340 -2.779 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.151 -5.617 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.479 -3.888 -6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.785 -7.617 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.114 -5.886 -7.895 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.762 -7.753 -7.029 1.00 0.00 H new ATOM 712 N GLY A 49 13.558 -5.311 -1.662 1.00 0.00 N ATOM 713 CA GLY A 49 14.841 -5.982 -1.560 1.00 0.00 C ATOM 714 C GLY A 49 15.890 -5.126 -0.877 1.00 0.00 C ATOM 715 O GLY A 49 15.921 -5.032 0.349 1.00 0.00 O ATOM 0 H GLY A 49 12.849 -5.639 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 49 14.718 -6.912 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.188 -6.249 -2.558 1.00 0.00 H new ATOM 719 N GLU A 50 16.751 -4.501 -1.673 1.00 0.00 N ATOM 720 CA GLU A 50 17.808 -3.651 -1.137 1.00 0.00 C ATOM 721 C GLU A 50 17.648 -2.213 -1.623 1.00 0.00 C ATOM 722 O GLU A 50 18.631 -1.491 -1.796 1.00 0.00 O ATOM 723 CB GLU A 50 19.181 -4.188 -1.544 1.00 0.00 C ATOM 724 CG GLU A 50 20.288 -3.833 -0.565 1.00 0.00 C ATOM 725 CD GLU A 50 21.670 -3.960 -1.176 1.00 0.00 C ATOM 726 OE1 GLU A 50 22.001 -3.148 -2.066 1.00 0.00 O ATOM 727 OE2 GLU A 50 22.420 -4.869 -0.765 1.00 0.00 O ATOM 0 H GLU A 50 16.738 -4.567 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 50 17.730 -3.660 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.124 -5.272 -1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.438 -3.796 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.143 -2.812 -0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.219 -4.483 0.307 1.00 0.00 H new ATOM 734 N LEU A 51 16.403 -1.803 -1.841 1.00 0.00 N ATOM 735 CA LEU A 51 16.113 -0.452 -2.308 1.00 0.00 C ATOM 736 C LEU A 51 14.834 0.081 -1.671 1.00 0.00 C ATOM 737 O LEU A 51 13.975 -0.690 -1.244 1.00 0.00 O ATOM 738 CB LEU A 51 15.984 -0.434 -3.832 1.00 0.00 C ATOM 739 CG LEU A 51 17.183 -0.972 -4.614 1.00 0.00 C ATOM 740 CD1 LEU A 51 16.798 -1.247 -6.059 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.346 0.008 -4.547 1.00 0.00 C ATOM 0 H LEU A 51 15.578 -2.387 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 51 16.940 0.193 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.105 -1.015 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.800 0.593 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 51 17.498 -1.911 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.664 -1.629 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 15.997 -1.986 -6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.457 -0.323 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.191 -0.391 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.043 0.963 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.639 0.155 -3.507 1.00 0.00 H new ATOM 753 N GLU A 52 14.714 1.404 -1.614 1.00 0.00 N ATOM 754 CA GLU A 52 13.538 2.039 -1.031 1.00 0.00 C ATOM 755 C GLU A 52 13.090 3.231 -1.871 1.00 0.00 C ATOM 756 O GLU A 52 13.818 4.214 -2.010 1.00 0.00 O ATOM 757 CB GLU A 52 13.832 2.491 0.401 1.00 0.00 C ATOM 758 CG GLU A 52 14.396 1.390 1.284 1.00 0.00 C ATOM 759 CD GLU A 52 15.292 1.925 2.383 1.00 0.00 C ATOM 760 OE1 GLU A 52 14.902 2.914 3.038 1.00 0.00 O ATOM 761 OE2 GLU A 52 16.383 1.354 2.589 1.00 0.00 O ATOM 0 H GLU A 52 15.416 2.056 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 52 12.732 1.306 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.539 3.320 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.913 2.870 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.574 0.831 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.961 0.690 0.669 1.00 0.00 H new ATOM 768 N GLY A 53 11.887 3.137 -2.429 1.00 0.00 N ATOM 769 CA GLY A 53 11.363 4.214 -3.249 1.00 0.00 C ATOM 770 C GLY A 53 9.955 4.611 -2.854 1.00 0.00 C ATOM 771 O GLY A 53 9.277 3.881 -2.130 1.00 0.00 O ATOM 0 H GLY A 53 11.266 2.334 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.018 5.081 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.371 3.907 -4.295 1.00 0.00 H new ATOM 775 N TRP A 54 9.514 5.770 -3.329 1.00 0.00 N ATOM 776 CA TRP A 54 8.176 6.263 -3.019 1.00 0.00 C ATOM 777 C TRP A 54 7.178 5.837 -4.089 1.00 0.00 C ATOM 778 O TRP A 54 7.264 6.269 -5.239 1.00 0.00 O ATOM 779 CB TRP A 54 8.189 7.787 -2.894 1.00 0.00 C ATOM 780 CG TRP A 54 8.979 8.280 -1.719 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.315 8.563 -1.690 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.482 8.546 -0.403 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.678 8.988 -0.434 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.571 8.988 0.373 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.222 8.456 0.195 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.437 9.336 1.714 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.090 8.802 1.527 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.192 9.238 2.274 1.00 0.00 C ATOM 0 H TRP A 54 10.062 6.386 -3.930 1.00 0.00 H new ATOM 0 HA TRP A 54 7.867 5.830 -2.068 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.603 8.216 -3.807 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.163 8.146 -2.810 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.987 8.467 -2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.619 9.259 -0.149 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.367 8.122 -0.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.285 9.671 2.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.121 8.735 2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.056 9.502 3.312 1.00 0.00 H new ATOM 799 N ALA A 55 6.230 4.988 -3.705 1.00 0.00 N ATOM 800 CA ALA A 55 5.214 4.506 -4.632 1.00 0.00 C ATOM 801 C ALA A 55 3.816 4.903 -4.169 1.00 0.00 C ATOM 802 O ALA A 55 3.543 5.026 -2.975 1.00 0.00 O ATOM 803 CB ALA A 55 5.312 2.995 -4.784 1.00 0.00 C ATOM 0 H ALA A 55 6.145 4.620 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 55 5.393 4.970 -5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.547 2.649 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.297 2.731 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.162 2.521 -3.814 1.00 0.00 H new ATOM 809 N PRO A 56 2.909 5.110 -5.135 1.00 0.00 N ATOM 810 CA PRO A 56 1.524 5.496 -4.850 1.00 0.00 C ATOM 811 C PRO A 56 0.727 4.366 -4.207 1.00 0.00 C ATOM 812 O PRO A 56 0.766 3.226 -4.669 1.00 0.00 O ATOM 813 CB PRO A 56 0.957 5.831 -6.232 1.00 0.00 C ATOM 814 CG PRO A 56 1.789 5.041 -7.183 1.00 0.00 C ATOM 815 CD PRO A 56 3.165 4.981 -6.579 1.00 0.00 C ATOM 0 HA PRO A 56 1.469 6.321 -4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.096 5.558 -6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.024 6.899 -6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.380 4.040 -7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.814 5.514 -8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.667 4.043 -6.816 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.801 5.785 -6.948 1.00 0.00 H new ATOM 823 N SER A 57 0.005 4.690 -3.139 1.00 0.00 N ATOM 824 CA SER A 57 -0.799 3.701 -2.431 1.00 0.00 C ATOM 825 C SER A 57 -1.822 3.062 -3.365 1.00 0.00 C ATOM 826 O SER A 57 -2.382 2.008 -3.064 1.00 0.00 O ATOM 827 CB SER A 57 -1.512 4.349 -1.242 1.00 0.00 C ATOM 828 OG SER A 57 -2.491 3.479 -0.699 1.00 0.00 O ATOM 0 H SER A 57 -0.040 5.630 -2.745 1.00 0.00 H new ATOM 0 HA SER A 57 -0.131 2.921 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.783 4.607 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.983 5.279 -1.559 1.00 0.00 H new ATOM 0 HG SER A 57 -2.086 2.927 0.002 1.00 0.00 H new ATOM 834 N HIS A 58 -2.061 3.709 -4.502 1.00 0.00 N ATOM 835 CA HIS A 58 -3.016 3.205 -5.482 1.00 0.00 C ATOM 836 C HIS A 58 -2.527 1.894 -6.092 1.00 0.00 C ATOM 837 O HIS A 58 -3.325 1.012 -6.412 1.00 0.00 O ATOM 838 CB HIS A 58 -3.242 4.240 -6.584 1.00 0.00 C ATOM 839 CG HIS A 58 -3.570 5.606 -6.064 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.641 6.621 -5.979 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.733 6.122 -5.603 1.00 0.00 C ATOM 842 CE1 HIS A 58 -3.219 7.703 -5.486 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.488 7.426 -5.250 1.00 0.00 N ATOM 0 H HIS A 58 -1.606 4.583 -4.767 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.960 3.018 -4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.347 4.301 -7.203 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.053 3.901 -7.229 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.678 5.604 -5.527 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.735 8.652 -5.307 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -5.175 8.076 -4.867 1.00 0.00 H new ATOM 852 N TYR A 59 -1.214 1.774 -6.250 1.00 0.00 N ATOM 853 CA TYR A 59 -0.620 0.573 -6.825 1.00 0.00 C ATOM 854 C TYR A 59 -0.466 -0.517 -5.769 1.00 0.00 C ATOM 855 O TYR A 59 -0.458 -1.708 -6.084 1.00 0.00 O ATOM 856 CB TYR A 59 0.742 0.897 -7.442 1.00 0.00 C ATOM 857 CG TYR A 59 0.651 1.669 -8.738 1.00 0.00 C ATOM 858 CD1 TYR A 59 -0.022 2.883 -8.800 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.237 1.185 -9.901 1.00 0.00 C ATOM 860 CE1 TYR A 59 -0.108 3.592 -9.983 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.157 1.888 -11.087 1.00 0.00 C ATOM 862 CZ TYR A 59 0.483 3.091 -11.123 1.00 0.00 C ATOM 863 OH TYR A 59 0.400 3.793 -12.304 1.00 0.00 O ATOM 0 H TYR A 59 -0.540 2.494 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.287 0.206 -7.605 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.328 1.473 -6.726 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.281 -0.033 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.486 3.279 -7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.764 0.243 -9.877 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.636 4.534 -10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.620 1.498 -11.982 1.00 0.00 H new ATOM 0 HH TYR A 59 0.870 3.302 -13.010 1.00 0.00 H new ATOM 873 N LEU A 60 -0.345 -0.102 -4.513 1.00 0.00 N ATOM 874 CA LEU A 60 -0.192 -1.042 -3.407 1.00 0.00 C ATOM 875 C LEU A 60 -1.521 -1.714 -3.076 1.00 0.00 C ATOM 876 O LEU A 60 -2.586 -1.117 -3.231 1.00 0.00 O ATOM 877 CB LEU A 60 0.350 -0.322 -2.171 1.00 0.00 C ATOM 878 CG LEU A 60 1.692 0.391 -2.344 1.00 0.00 C ATOM 879 CD1 LEU A 60 1.975 1.293 -1.153 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.813 -0.621 -2.527 1.00 0.00 C ATOM 0 H LEU A 60 -0.350 0.879 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 60 0.517 -1.811 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.389 0.411 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.449 -1.050 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 60 1.639 1.011 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.934 1.792 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.186 2.040 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.008 0.694 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.761 -0.096 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.866 -1.268 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.617 -1.225 -3.413 1.00 0.00 H new ATOM 892 N VAL A 61 -1.450 -2.960 -2.619 1.00 0.00 N ATOM 893 CA VAL A 61 -2.647 -3.713 -2.262 1.00 0.00 C ATOM 894 C VAL A 61 -2.838 -3.756 -0.750 1.00 0.00 C ATOM 895 O VAL A 61 -1.955 -4.196 -0.014 1.00 0.00 O ATOM 896 CB VAL A 61 -2.585 -5.154 -2.803 1.00 0.00 C ATOM 897 CG1 VAL A 61 -3.859 -5.909 -2.457 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.349 -5.149 -4.306 1.00 0.00 C ATOM 0 H VAL A 61 -0.576 -3.470 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.493 -3.198 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.748 -5.666 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.797 -6.925 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.979 -5.943 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.715 -5.401 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.308 -6.175 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.164 -4.620 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.406 -4.648 -4.525 1.00 0.00 H new