USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 423 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 40 TYR OH : rot 104:sc= -1.59! USER MOD Set 1.2: A 44 THR OG1 : rot 125:sc= 0.126 USER MOD Set 2.1: A 9 GLN : amide:sc= -11.4! C(o=-11!,f=-15!) USER MOD Set 2.2: A 32 CYS SG : rot 89:sc= 0.561 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0.834 (180deg=0.834) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.0084 (180deg=-0.215) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.0811 (180deg=-0.501) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0915 (180deg=-0.87!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0259 (180deg=-0.386) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N TYR A 3 3.654 -5.546 -1.024 1.00 0.00 N ATOM 37 CA TYR A 3 2.823 -6.713 -0.790 1.00 0.00 C ATOM 38 C TYR A 3 3.617 -7.760 0.005 1.00 0.00 C ATOM 39 O TYR A 3 4.587 -8.336 -0.481 1.00 0.00 O ATOM 40 CB TYR A 3 2.315 -7.262 -2.121 1.00 0.00 C ATOM 41 CG TYR A 3 3.453 -7.641 -3.046 1.00 0.00 C ATOM 42 CD1 TYR A 3 4.281 -6.653 -3.598 1.00 0.00 C ATOM 43 CD2 TYR A 3 3.619 -8.976 -3.427 1.00 0.00 C ATOM 44 CE1 TYR A 3 5.261 -7.002 -4.536 1.00 0.00 C ATOM 45 CE2 TYR A 3 4.596 -9.326 -4.369 1.00 0.00 C ATOM 46 CZ TYR A 3 5.417 -8.338 -4.924 1.00 0.00 C ATOM 47 OH TYR A 3 6.379 -8.680 -5.854 1.00 0.00 O ATOM 0 HA TYR A 3 1.951 -6.439 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.689 -8.136 -1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.686 -6.515 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.163 -5.622 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.992 -9.741 -2.994 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.897 -6.239 -4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.715 -10.357 -4.666 1.00 0.00 H new ATOM 0 HH TYR A 3 6.354 -9.647 -6.010 1.00 0.00 H new ATOM 57 N ASP A 4 3.170 -8.003 1.230 1.00 0.00 N ATOM 58 CA ASP A 4 3.865 -8.901 2.149 1.00 0.00 C ATOM 59 C ASP A 4 3.778 -10.385 1.747 1.00 0.00 C ATOM 60 O ASP A 4 4.471 -10.823 0.842 1.00 0.00 O ATOM 61 CB ASP A 4 3.308 -8.710 3.558 1.00 0.00 C ATOM 62 CG ASP A 4 3.685 -7.325 4.091 1.00 0.00 C ATOM 63 OD1 ASP A 4 3.232 -6.345 3.521 1.00 0.00 O ATOM 64 OD2 ASP A 4 4.424 -7.267 5.060 1.00 0.00 O ATOM 0 H ASP A 4 2.322 -7.588 1.615 1.00 0.00 H new ATOM 0 HA ASP A 4 4.922 -8.637 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.224 -8.821 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.700 -9.482 4.220 1.00 0.00 H new ATOM 69 N LYS A 5 2.931 -11.147 2.440 1.00 0.00 N ATOM 70 CA LYS A 5 2.811 -12.593 2.212 1.00 0.00 C ATOM 71 C LYS A 5 2.848 -12.975 0.731 1.00 0.00 C ATOM 72 O LYS A 5 3.513 -13.936 0.347 1.00 0.00 O ATOM 73 CB LYS A 5 1.515 -13.099 2.833 1.00 0.00 C ATOM 74 CG LYS A 5 1.570 -12.924 4.348 1.00 0.00 C ATOM 75 CD LYS A 5 0.285 -13.460 4.969 1.00 0.00 C ATOM 76 CE LYS A 5 0.307 -13.213 6.475 1.00 0.00 C ATOM 77 NZ LYS A 5 -0.951 -13.728 7.085 1.00 0.00 N ATOM 0 H LYS A 5 2.314 -10.787 3.168 1.00 0.00 H new ATOM 0 HA LYS A 5 3.676 -13.061 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.666 -12.551 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.366 -14.150 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.431 -13.454 4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.696 -11.871 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.580 -12.970 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.187 -14.526 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.169 -13.708 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.411 -12.147 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.934 -13.559 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.766 -13.236 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.032 -14.749 6.904 1.00 0.00 H new ATOM 91 N ILE A 6 2.139 -12.231 -0.089 1.00 0.00 N ATOM 92 CA ILE A 6 2.102 -12.519 -1.505 1.00 0.00 C ATOM 93 C ILE A 6 3.532 -12.498 -2.069 1.00 0.00 C ATOM 94 O ILE A 6 3.936 -13.427 -2.763 1.00 0.00 O ATOM 95 CB ILE A 6 1.180 -11.513 -2.215 1.00 0.00 C ATOM 96 CG1 ILE A 6 1.560 -11.389 -3.679 1.00 0.00 C ATOM 97 CG2 ILE A 6 1.247 -10.149 -1.549 1.00 0.00 C ATOM 98 CD1 ILE A 6 0.740 -12.391 -4.461 1.00 0.00 C ATOM 0 H ILE A 6 1.583 -11.426 0.199 1.00 0.00 H new ATOM 0 HA ILE A 6 1.693 -13.514 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 6 0.158 -11.885 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.369 -10.378 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.625 -11.580 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.586 -9.457 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.933 -10.236 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.270 -9.774 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.994 -12.323 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.954 -13.397 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.320 -12.176 -4.328 1.00 0.00 H new ATOM 110 N ALA A 7 4.303 -11.462 -1.758 1.00 0.00 N ATOM 111 CA ALA A 7 5.686 -11.406 -2.223 1.00 0.00 C ATOM 112 C ALA A 7 6.520 -12.438 -1.466 1.00 0.00 C ATOM 113 O ALA A 7 7.319 -13.165 -2.050 1.00 0.00 O ATOM 114 CB ALA A 7 6.279 -10.024 -1.961 1.00 0.00 C ATOM 0 H ALA A 7 4.003 -10.664 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 7 5.700 -11.614 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.310 -9.998 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.695 -9.271 -2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.255 -9.815 -0.892 1.00 0.00 H new ATOM 120 N ALA A 8 6.300 -12.475 -0.159 1.00 0.00 N ATOM 121 CA ALA A 8 7.020 -13.360 0.746 1.00 0.00 C ATOM 122 C ALA A 8 7.325 -14.715 0.113 1.00 0.00 C ATOM 123 O ALA A 8 8.475 -15.011 -0.203 1.00 0.00 O ATOM 124 CB ALA A 8 6.202 -13.568 2.015 1.00 0.00 C ATOM 0 H ALA A 8 5.610 -11.886 0.307 1.00 0.00 H new ATOM 0 HA ALA A 8 7.972 -12.883 0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.742 -14.231 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.037 -12.607 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.241 -14.015 1.759 1.00 0.00 H new ATOM 130 N GLN A 9 6.312 -15.544 -0.086 1.00 0.00 N ATOM 131 CA GLN A 9 6.585 -16.857 -0.632 1.00 0.00 C ATOM 132 C GLN A 9 6.626 -16.817 -2.164 1.00 0.00 C ATOM 133 O GLN A 9 7.164 -17.724 -2.801 1.00 0.00 O ATOM 134 CB GLN A 9 5.573 -17.867 -0.112 1.00 0.00 C ATOM 135 CG GLN A 9 4.170 -17.459 -0.503 1.00 0.00 C ATOM 136 CD GLN A 9 3.856 -18.107 -1.830 1.00 0.00 C ATOM 137 OE1 GLN A 9 3.807 -19.327 -1.940 1.00 0.00 O ATOM 138 NE2 GLN A 9 3.668 -17.333 -2.852 1.00 0.00 N ATOM 0 H GLN A 9 5.333 -15.341 0.114 1.00 0.00 H new ATOM 0 HA GLN A 9 7.572 -17.178 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.796 -18.855 -0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.648 -17.940 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.454 -17.775 0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.095 -16.374 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.713 -16.320 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.475 -17.737 -3.769 1.00 0.00 H new ATOM 147 N GLY A 10 6.049 -15.782 -2.762 1.00 0.00 N ATOM 148 CA GLY A 10 6.105 -15.651 -4.208 1.00 0.00 C ATOM 149 C GLY A 10 7.561 -15.750 -4.664 1.00 0.00 C ATOM 150 O GLY A 10 7.910 -16.552 -5.531 1.00 0.00 O ATOM 0 H GLY A 10 5.548 -15.037 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.509 -16.433 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.679 -14.696 -4.516 1.00 0.00 H new ATOM 154 N GLU A 11 8.411 -14.935 -4.056 1.00 0.00 N ATOM 155 CA GLU A 11 9.823 -14.932 -4.399 1.00 0.00 C ATOM 156 C GLU A 11 10.487 -16.234 -3.945 1.00 0.00 C ATOM 157 O GLU A 11 11.482 -16.660 -4.530 1.00 0.00 O ATOM 158 CB GLU A 11 10.515 -13.740 -3.746 1.00 0.00 C ATOM 159 CG GLU A 11 10.433 -13.864 -2.230 1.00 0.00 C ATOM 160 CD GLU A 11 11.027 -12.619 -1.574 1.00 0.00 C ATOM 161 OE1 GLU A 11 12.219 -12.403 -1.727 1.00 0.00 O ATOM 162 OE2 GLU A 11 10.278 -11.899 -0.933 1.00 0.00 O ATOM 0 H GLU A 11 8.148 -14.272 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 11 9.918 -14.852 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.558 -13.696 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.044 -12.812 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.395 -13.988 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.972 -14.752 -1.899 1.00 0.00 H new ATOM 169 N VAL A 12 9.943 -16.866 -2.908 1.00 0.00 N ATOM 170 CA VAL A 12 10.514 -18.116 -2.425 1.00 0.00 C ATOM 171 C VAL A 12 10.686 -19.077 -3.599 1.00 0.00 C ATOM 172 O VAL A 12 11.769 -19.608 -3.835 1.00 0.00 O ATOM 173 CB VAL A 12 9.601 -18.738 -1.367 1.00 0.00 C ATOM 174 CG1 VAL A 12 10.029 -20.175 -1.096 1.00 0.00 C ATOM 175 CG2 VAL A 12 9.699 -17.935 -0.074 1.00 0.00 C ATOM 0 H VAL A 12 9.124 -16.540 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 12 11.485 -17.919 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 12 8.574 -18.727 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.375 -20.613 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.961 -20.755 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.058 -20.186 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.048 -18.378 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.729 -17.946 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.390 -16.906 -0.260 1.00 0.00 H new ATOM 185 N VAL A 13 9.613 -19.283 -4.344 1.00 0.00 N ATOM 186 CA VAL A 13 9.667 -20.171 -5.492 1.00 0.00 C ATOM 187 C VAL A 13 10.532 -19.577 -6.600 1.00 0.00 C ATOM 188 O VAL A 13 11.297 -20.293 -7.235 1.00 0.00 O ATOM 189 CB VAL A 13 8.272 -20.429 -6.017 1.00 0.00 C ATOM 190 CG1 VAL A 13 8.330 -20.729 -7.509 1.00 0.00 C ATOM 191 CG2 VAL A 13 7.696 -21.623 -5.272 1.00 0.00 C ATOM 0 H VAL A 13 8.703 -18.853 -4.177 1.00 0.00 H new ATOM 0 HA VAL A 13 10.112 -21.113 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 13 7.644 -19.552 -5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.323 -20.914 -7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.761 -19.877 -8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.948 -21.611 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.689 -21.827 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.327 -22.496 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.659 -21.403 -4.205 1.00 0.00 H new ATOM 201 N ARG A 14 10.394 -18.279 -6.845 1.00 0.00 N ATOM 202 CA ARG A 14 11.202 -17.639 -7.875 1.00 0.00 C ATOM 203 C ARG A 14 12.667 -18.028 -7.681 1.00 0.00 C ATOM 204 O ARG A 14 13.366 -18.372 -8.633 1.00 0.00 O ATOM 205 CB ARG A 14 11.064 -16.123 -7.798 1.00 0.00 C ATOM 206 CG ARG A 14 9.638 -15.716 -8.156 1.00 0.00 C ATOM 207 CD ARG A 14 9.640 -14.297 -8.716 1.00 0.00 C ATOM 208 NE ARG A 14 10.259 -13.384 -7.764 1.00 0.00 N ATOM 209 CZ ARG A 14 10.461 -12.105 -8.067 1.00 0.00 C ATOM 210 NH1 ARG A 14 10.112 -11.638 -9.240 1.00 0.00 N ATOM 211 NH2 ARG A 14 11.013 -11.308 -7.190 1.00 0.00 N ATOM 0 H ARG A 14 9.746 -17.661 -6.357 1.00 0.00 H new ATOM 0 HA ARG A 14 10.855 -17.972 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.310 -15.777 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.770 -15.649 -8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.224 -16.408 -8.890 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.001 -15.769 -7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.182 -14.272 -9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.619 -13.979 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 14 10.543 -13.732 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.682 -12.256 -9.928 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.270 -10.656 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.288 -11.668 -6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.169 -10.327 -7.420 1.00 0.00 H new ATOM 225 N LYS A 15 13.122 -17.974 -6.440 1.00 0.00 N ATOM 226 CA LYS A 15 14.491 -18.336 -6.124 1.00 0.00 C ATOM 227 C LYS A 15 14.681 -19.853 -6.255 1.00 0.00 C ATOM 228 O LYS A 15 15.703 -20.319 -6.751 1.00 0.00 O ATOM 229 CB LYS A 15 14.818 -17.892 -4.703 1.00 0.00 C ATOM 230 CG LYS A 15 16.324 -17.958 -4.479 1.00 0.00 C ATOM 231 CD LYS A 15 16.679 -17.218 -3.194 1.00 0.00 C ATOM 232 CE LYS A 15 18.195 -17.169 -3.034 1.00 0.00 C ATOM 233 NZ LYS A 15 18.710 -18.529 -2.711 1.00 0.00 N ATOM 0 H LYS A 15 12.564 -17.683 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 15 15.163 -17.838 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.460 -16.876 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.305 -18.532 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.648 -18.997 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.848 -17.513 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.273 -16.207 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.229 -17.720 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.656 -16.804 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.464 -16.470 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.744 -18.492 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.280 -18.861 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.466 -19.184 -3.481 1.00 0.00 H new ATOM 247 N LEU A 16 13.689 -20.618 -5.814 1.00 0.00 N ATOM 248 CA LEU A 16 13.775 -22.071 -5.891 1.00 0.00 C ATOM 249 C LEU A 16 13.948 -22.526 -7.345 1.00 0.00 C ATOM 250 O LEU A 16 14.922 -23.197 -7.685 1.00 0.00 O ATOM 251 CB LEU A 16 12.514 -22.692 -5.298 1.00 0.00 C ATOM 252 CG LEU A 16 12.832 -23.283 -3.928 1.00 0.00 C ATOM 253 CD1 LEU A 16 13.376 -22.193 -3.008 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.560 -23.868 -3.321 1.00 0.00 C ATOM 0 H LEU A 16 12.826 -20.262 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 16 14.644 -22.401 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.733 -21.938 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.132 -23.469 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 16 13.581 -24.067 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.601 -22.621 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.285 -21.773 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.631 -21.406 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.785 -24.291 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.813 -23.081 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.172 -24.650 -3.973 1.00 0.00 H new ATOM 266 N LYS A 17 13.003 -22.158 -8.198 1.00 0.00 N ATOM 267 CA LYS A 17 13.076 -22.538 -9.602 1.00 0.00 C ATOM 268 C LYS A 17 14.369 -22.003 -10.226 1.00 0.00 C ATOM 269 O LYS A 17 14.939 -22.627 -11.121 1.00 0.00 O ATOM 270 CB LYS A 17 11.868 -21.986 -10.356 1.00 0.00 C ATOM 271 CG LYS A 17 11.904 -20.462 -10.345 1.00 0.00 C ATOM 272 CD LYS A 17 10.599 -19.911 -10.912 1.00 0.00 C ATOM 273 CE LYS A 17 10.476 -20.300 -12.381 1.00 0.00 C ATOM 274 NZ LYS A 17 9.280 -19.638 -12.977 1.00 0.00 N ATOM 0 H LYS A 17 12.185 -21.603 -7.947 1.00 0.00 H new ATOM 0 HA LYS A 17 13.073 -23.626 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.871 -22.351 -11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.947 -22.340 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.051 -20.100 -9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.748 -20.105 -10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.752 -20.303 -10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.575 -18.826 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.375 -20.004 -12.922 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.389 -21.382 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.199 -19.905 -13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.426 -19.941 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.381 -18.606 -12.901 1.00 0.00 H new ATOM 288 N ALA A 18 14.828 -20.851 -9.756 1.00 0.00 N ATOM 289 CA ALA A 18 16.060 -20.274 -10.271 1.00 0.00 C ATOM 290 C ALA A 18 17.226 -21.222 -9.991 1.00 0.00 C ATOM 291 O ALA A 18 18.016 -21.539 -10.880 1.00 0.00 O ATOM 292 CB ALA A 18 16.325 -18.928 -9.603 1.00 0.00 C ATOM 0 H ALA A 18 14.371 -20.303 -9.027 1.00 0.00 H new ATOM 0 HA ALA A 18 15.961 -20.125 -11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.249 -18.503 -9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.497 -18.250 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.418 -19.068 -8.526 1.00 0.00 H new ATOM 298 N GLU A 19 17.322 -21.673 -8.751 1.00 0.00 N ATOM 299 CA GLU A 19 18.382 -22.592 -8.364 1.00 0.00 C ATOM 300 C GLU A 19 17.958 -24.051 -8.602 1.00 0.00 C ATOM 301 O GLU A 19 18.632 -24.976 -8.153 1.00 0.00 O ATOM 302 CB GLU A 19 18.711 -22.387 -6.891 1.00 0.00 C ATOM 303 CG GLU A 19 19.203 -20.960 -6.681 1.00 0.00 C ATOM 304 CD GLU A 19 19.372 -20.683 -5.188 1.00 0.00 C ATOM 305 OE1 GLU A 19 18.372 -20.691 -4.488 1.00 0.00 O ATOM 306 OE2 GLU A 19 20.495 -20.462 -4.768 1.00 0.00 O ATOM 0 H GLU A 19 16.683 -21.420 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 19 19.262 -22.388 -8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.828 -22.574 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 19 19.474 -23.098 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 19 20.152 -20.814 -7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.493 -20.254 -7.113 1.00 0.00 H new ATOM 313 N LYS A 20 16.838 -24.240 -9.298 1.00 0.00 N ATOM 314 CA LYS A 20 16.334 -25.572 -9.613 1.00 0.00 C ATOM 315 C LYS A 20 15.708 -26.221 -8.381 1.00 0.00 C ATOM 316 O LYS A 20 16.400 -26.739 -7.506 1.00 0.00 O ATOM 317 CB LYS A 20 17.449 -26.462 -10.157 1.00 0.00 C ATOM 318 CG LYS A 20 18.076 -25.804 -11.381 1.00 0.00 C ATOM 319 CD LYS A 20 18.481 -26.880 -12.382 1.00 0.00 C ATOM 320 CE LYS A 20 19.047 -26.226 -13.639 1.00 0.00 C ATOM 321 NZ LYS A 20 20.361 -25.595 -13.328 1.00 0.00 N ATOM 0 H LYS A 20 16.260 -23.480 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 20 15.568 -25.463 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.206 -26.623 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.050 -27.441 -10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.368 -25.113 -11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.947 -25.219 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.225 -27.542 -11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.619 -27.496 -12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.167 -26.971 -14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.352 -25.475 -14.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.845 -25.346 -14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.208 -24.735 -12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.948 -26.263 -12.789 1.00 0.00 H new ATOM 335 N ALA A 21 14.387 -26.189 -8.331 1.00 0.00 N ATOM 336 CA ALA A 21 13.651 -26.778 -7.225 1.00 0.00 C ATOM 337 C ALA A 21 12.548 -27.672 -7.798 1.00 0.00 C ATOM 338 O ALA A 21 12.414 -27.789 -9.014 1.00 0.00 O ATOM 339 CB ALA A 21 13.046 -25.666 -6.375 1.00 0.00 C ATOM 0 H ALA A 21 13.800 -25.760 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 21 14.313 -27.375 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.493 -26.103 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.842 -25.031 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.370 -25.068 -6.986 1.00 0.00 H new ATOM 345 N PRO A 22 11.736 -28.316 -6.945 1.00 0.00 N ATOM 346 CA PRO A 22 10.665 -29.188 -7.403 1.00 0.00 C ATOM 347 C PRO A 22 9.454 -28.397 -7.901 1.00 0.00 C ATOM 348 O PRO A 22 9.201 -27.276 -7.459 1.00 0.00 O ATOM 349 CB PRO A 22 10.320 -30.019 -6.178 1.00 0.00 C ATOM 350 CG PRO A 22 10.723 -29.160 -4.986 1.00 0.00 C ATOM 351 CD PRO A 22 11.814 -28.210 -5.489 1.00 0.00 C ATOM 0 HA PRO A 22 10.967 -29.798 -8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.257 -30.257 -6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.859 -30.967 -6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.869 -28.602 -4.602 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.093 -29.779 -4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.638 -27.188 -5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.797 -28.502 -5.120 1.00 0.00 H new ATOM 359 N LYS A 23 8.708 -28.992 -8.818 1.00 0.00 N ATOM 360 CA LYS A 23 7.538 -28.332 -9.372 1.00 0.00 C ATOM 361 C LYS A 23 6.505 -28.090 -8.274 1.00 0.00 C ATOM 362 O LYS A 23 5.869 -27.040 -8.227 1.00 0.00 O ATOM 363 CB LYS A 23 6.924 -29.201 -10.465 1.00 0.00 C ATOM 364 CG LYS A 23 6.527 -28.326 -11.650 1.00 0.00 C ATOM 365 CD LYS A 23 7.780 -27.843 -12.375 1.00 0.00 C ATOM 366 CE LYS A 23 8.526 -29.042 -12.956 1.00 0.00 C ATOM 367 NZ LYS A 23 9.774 -28.579 -13.625 1.00 0.00 N ATOM 0 H LYS A 23 8.890 -29.923 -9.192 1.00 0.00 H new ATOM 0 HA LYS A 23 7.841 -27.375 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.638 -29.961 -10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.050 -29.726 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.894 -28.890 -12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.943 -27.473 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.508 -27.150 -13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.425 -27.299 -11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.768 -29.751 -12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.891 -29.566 -13.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.280 -29.397 -14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.533 -27.918 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.382 -28.098 -12.932 1.00 0.00 H new ATOM 381 N ALA A 24 6.357 -29.066 -7.389 1.00 0.00 N ATOM 382 CA ALA A 24 5.396 -28.967 -6.298 1.00 0.00 C ATOM 383 C ALA A 24 5.599 -27.682 -5.493 1.00 0.00 C ATOM 384 O ALA A 24 4.644 -27.104 -4.986 1.00 0.00 O ATOM 385 CB ALA A 24 5.546 -30.171 -5.376 1.00 0.00 C ATOM 0 H ALA A 24 6.890 -29.936 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 24 4.395 -28.947 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.827 -30.096 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.362 -31.086 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.557 -30.193 -4.968 1.00 0.00 H new ATOM 391 N LYS A 25 6.836 -27.228 -5.385 1.00 0.00 N ATOM 392 CA LYS A 25 7.117 -26.031 -4.619 1.00 0.00 C ATOM 393 C LYS A 25 6.855 -24.796 -5.467 1.00 0.00 C ATOM 394 O LYS A 25 6.194 -23.863 -5.028 1.00 0.00 O ATOM 395 CB LYS A 25 8.560 -26.051 -4.135 1.00 0.00 C ATOM 396 CG LYS A 25 8.634 -26.809 -2.811 1.00 0.00 C ATOM 397 CD LYS A 25 7.781 -28.075 -2.890 1.00 0.00 C ATOM 398 CE LYS A 25 7.803 -28.795 -1.546 1.00 0.00 C ATOM 399 NZ LYS A 25 9.199 -29.202 -1.216 1.00 0.00 N ATOM 0 H LYS A 25 7.652 -27.666 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 25 6.459 -26.000 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.199 -26.529 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.927 -25.033 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.669 -27.070 -2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.283 -26.174 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.756 -27.818 -3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.161 -28.733 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.411 -28.142 -0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.157 -29.672 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.182 -29.926 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.657 -29.591 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.733 -28.374 -0.883 1.00 0.00 H new ATOM 413 N VAL A 26 7.364 -24.797 -6.687 1.00 0.00 N ATOM 414 CA VAL A 26 7.146 -23.670 -7.573 1.00 0.00 C ATOM 415 C VAL A 26 5.643 -23.375 -7.677 1.00 0.00 C ATOM 416 O VAL A 26 5.218 -22.225 -7.573 1.00 0.00 O ATOM 417 CB VAL A 26 7.720 -23.980 -8.950 1.00 0.00 C ATOM 418 CG1 VAL A 26 7.189 -22.975 -9.969 1.00 0.00 C ATOM 419 CG2 VAL A 26 9.240 -23.878 -8.885 1.00 0.00 C ATOM 0 H VAL A 26 7.923 -25.554 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 26 7.650 -22.791 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 26 7.425 -24.985 -9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.602 -23.201 -10.952 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.102 -23.038 -10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.484 -21.968 -9.674 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.662 -24.098 -9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.525 -22.869 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.622 -24.594 -8.157 1.00 0.00 H new ATOM 429 N THR A 27 4.838 -24.412 -7.881 1.00 0.00 N ATOM 430 CA THR A 27 3.397 -24.216 -7.969 1.00 0.00 C ATOM 431 C THR A 27 2.849 -23.752 -6.618 1.00 0.00 C ATOM 432 O THR A 27 1.926 -22.942 -6.564 1.00 0.00 O ATOM 433 CB THR A 27 2.703 -25.499 -8.415 1.00 0.00 C ATOM 434 OG1 THR A 27 1.309 -25.256 -8.561 1.00 0.00 O ATOM 435 CG2 THR A 27 2.920 -26.602 -7.385 1.00 0.00 C ATOM 0 H THR A 27 5.150 -25.377 -7.987 1.00 0.00 H new ATOM 0 HA THR A 27 3.196 -23.446 -8.714 1.00 0.00 H new ATOM 0 HB THR A 27 3.125 -25.817 -9.369 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.862 -26.079 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.419 -27.512 -7.716 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.988 -26.794 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.508 -26.290 -6.425 1.00 0.00 H new ATOM 443 N GLU A 28 3.414 -24.269 -5.528 1.00 0.00 N ATOM 444 CA GLU A 28 2.983 -23.854 -4.202 1.00 0.00 C ATOM 445 C GLU A 28 3.016 -22.329 -4.131 1.00 0.00 C ATOM 446 O GLU A 28 2.152 -21.697 -3.529 1.00 0.00 O ATOM 447 CB GLU A 28 3.903 -24.444 -3.138 1.00 0.00 C ATOM 448 CG GLU A 28 3.387 -25.815 -2.716 1.00 0.00 C ATOM 449 CD GLU A 28 4.465 -26.550 -1.915 1.00 0.00 C ATOM 450 OE1 GLU A 28 5.476 -25.934 -1.618 1.00 0.00 O ATOM 451 OE2 GLU A 28 4.263 -27.714 -1.614 1.00 0.00 O ATOM 0 H GLU A 28 4.160 -24.965 -5.539 1.00 0.00 H new ATOM 0 HA GLU A 28 1.970 -24.213 -4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.917 -24.531 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.949 -23.780 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.485 -25.705 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.114 -26.398 -3.596 1.00 0.00 H new ATOM 458 N ALA A 29 4.026 -21.735 -4.744 1.00 0.00 N ATOM 459 CA ALA A 29 4.108 -20.284 -4.768 1.00 0.00 C ATOM 460 C ALA A 29 3.038 -19.725 -5.697 1.00 0.00 C ATOM 461 O ALA A 29 2.318 -18.798 -5.343 1.00 0.00 O ATOM 462 CB ALA A 29 5.477 -19.832 -5.244 1.00 0.00 C ATOM 0 H ALA A 29 4.785 -22.221 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 29 3.949 -19.912 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.517 -18.743 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.242 -20.217 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.656 -20.211 -6.250 1.00 0.00 H new ATOM 468 N VAL A 30 2.930 -20.315 -6.876 1.00 0.00 N ATOM 469 CA VAL A 30 1.952 -19.872 -7.856 1.00 0.00 C ATOM 470 C VAL A 30 0.571 -19.705 -7.213 1.00 0.00 C ATOM 471 O VAL A 30 -0.094 -18.686 -7.389 1.00 0.00 O ATOM 472 CB VAL A 30 1.873 -20.907 -8.981 1.00 0.00 C ATOM 473 CG1 VAL A 30 0.443 -20.988 -9.506 1.00 0.00 C ATOM 474 CG2 VAL A 30 2.807 -20.499 -10.116 1.00 0.00 C ATOM 0 H VAL A 30 3.506 -21.101 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 30 2.262 -18.906 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 30 2.172 -21.881 -8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.391 -21.726 -10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.225 -21.282 -8.697 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.141 -20.014 -9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.750 -21.236 -10.917 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.509 -19.523 -10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.830 -20.445 -9.744 1.00 0.00 H new ATOM 484 N GLU A 31 0.159 -20.706 -6.466 1.00 0.00 N ATOM 485 CA GLU A 31 -1.144 -20.683 -5.820 1.00 0.00 C ATOM 486 C GLU A 31 -1.246 -19.587 -4.746 1.00 0.00 C ATOM 487 O GLU A 31 -2.199 -18.818 -4.758 1.00 0.00 O ATOM 488 CB GLU A 31 -1.443 -22.044 -5.207 1.00 0.00 C ATOM 489 CG GLU A 31 -0.304 -22.451 -4.295 1.00 0.00 C ATOM 490 CD GLU A 31 -0.531 -23.868 -3.772 1.00 0.00 C ATOM 491 OE1 GLU A 31 -0.783 -24.743 -4.583 1.00 0.00 O ATOM 492 OE2 GLU A 31 -0.444 -24.057 -2.571 1.00 0.00 O ATOM 0 H GLU A 31 0.705 -21.549 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.883 -20.453 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.376 -22.004 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.576 -22.787 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.641 -22.402 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.230 -21.754 -3.460 1.00 0.00 H new ATOM 499 N CYS A 32 -0.286 -19.495 -3.820 1.00 0.00 N ATOM 500 CA CYS A 32 -0.383 -18.477 -2.777 1.00 0.00 C ATOM 501 C CYS A 32 -0.419 -17.092 -3.411 1.00 0.00 C ATOM 502 O CYS A 32 -1.122 -16.201 -2.945 1.00 0.00 O ATOM 503 CB CYS A 32 0.792 -18.569 -1.805 1.00 0.00 C ATOM 504 SG CYS A 32 1.054 -20.296 -1.335 1.00 0.00 S ATOM 0 H CYS A 32 0.539 -20.092 -3.772 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.303 -18.649 -2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.693 -18.167 -2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.593 -17.966 -0.919 1.00 0.00 H new ATOM 0 HG CYS A 32 1.868 -20.857 -2.179 1.00 0.00 H new ATOM 510 N LEU A 33 0.341 -16.922 -4.477 1.00 0.00 N ATOM 511 CA LEU A 33 0.381 -15.654 -5.173 1.00 0.00 C ATOM 512 C LEU A 33 -1.020 -15.284 -5.661 1.00 0.00 C ATOM 513 O LEU A 33 -1.473 -14.161 -5.479 1.00 0.00 O ATOM 514 CB LEU A 33 1.339 -15.750 -6.357 1.00 0.00 C ATOM 515 CG LEU A 33 2.751 -16.005 -5.842 1.00 0.00 C ATOM 516 CD1 LEU A 33 3.635 -16.490 -6.982 1.00 0.00 C ATOM 517 CD2 LEU A 33 3.332 -14.716 -5.282 1.00 0.00 C ATOM 0 H LEU A 33 0.937 -17.646 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 33 0.732 -14.880 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.032 -16.555 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.312 -14.828 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 33 2.711 -16.763 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.643 -16.671 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.228 -17.415 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.668 -15.732 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.341 -14.901 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.365 -13.960 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.707 -14.361 -4.462 1.00 0.00 H new ATOM 529 N LEU A 34 -1.708 -16.240 -6.262 1.00 0.00 N ATOM 530 CA LEU A 34 -3.045 -15.981 -6.781 1.00 0.00 C ATOM 531 C LEU A 34 -4.069 -15.909 -5.641 1.00 0.00 C ATOM 532 O LEU A 34 -4.868 -14.974 -5.552 1.00 0.00 O ATOM 533 CB LEU A 34 -3.426 -17.095 -7.755 1.00 0.00 C ATOM 534 CG LEU A 34 -4.748 -16.759 -8.438 1.00 0.00 C ATOM 535 CD1 LEU A 34 -4.701 -17.231 -9.888 1.00 0.00 C ATOM 536 CD2 LEU A 34 -5.891 -17.466 -7.716 1.00 0.00 C ATOM 0 H LEU A 34 -1.370 -17.192 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.046 -15.021 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.642 -17.220 -8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.513 -18.042 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.909 -15.681 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.644 -16.992 -10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.884 -16.730 -10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.540 -18.309 -9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.835 -17.225 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.730 -18.544 -7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.926 -17.135 -6.678 1.00 0.00 H new ATOM 548 N SER A 35 -4.026 -16.890 -4.764 1.00 0.00 N ATOM 549 CA SER A 35 -4.963 -16.955 -3.658 1.00 0.00 C ATOM 550 C SER A 35 -4.850 -15.724 -2.760 1.00 0.00 C ATOM 551 O SER A 35 -5.832 -15.012 -2.531 1.00 0.00 O ATOM 552 CB SER A 35 -4.692 -18.211 -2.835 1.00 0.00 C ATOM 553 OG SER A 35 -5.613 -18.278 -1.757 1.00 0.00 O ATOM 0 H SER A 35 -3.352 -17.655 -4.794 1.00 0.00 H new ATOM 0 HA SER A 35 -5.972 -16.986 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.785 -19.097 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.671 -18.196 -2.454 1.00 0.00 H new ATOM 0 HG SER A 35 -5.440 -19.085 -1.229 1.00 0.00 H new ATOM 559 N LEU A 36 -3.657 -15.450 -2.268 1.00 0.00 N ATOM 560 CA LEU A 36 -3.500 -14.329 -1.367 1.00 0.00 C ATOM 561 C LEU A 36 -3.667 -13.001 -2.076 1.00 0.00 C ATOM 562 O LEU A 36 -4.182 -12.079 -1.488 1.00 0.00 O ATOM 563 CB LEU A 36 -2.157 -14.333 -0.658 1.00 0.00 C ATOM 564 CG LEU A 36 -2.143 -13.138 0.302 1.00 0.00 C ATOM 565 CD1 LEU A 36 -1.367 -13.485 1.553 1.00 0.00 C ATOM 566 CD2 LEU A 36 -1.481 -11.937 -0.363 1.00 0.00 C ATOM 0 H LEU A 36 -2.805 -15.973 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.290 -14.447 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.014 -15.266 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.342 -14.257 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.174 -12.895 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.363 -12.629 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.836 -14.335 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.342 -13.741 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.477 -11.095 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.456 -12.190 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.036 -11.667 -1.261 1.00 0.00 H new ATOM 578 N LYS A 37 -3.224 -12.866 -3.310 1.00 0.00 N ATOM 579 CA LYS A 37 -3.387 -11.574 -3.959 1.00 0.00 C ATOM 580 C LYS A 37 -4.856 -11.152 -3.872 1.00 0.00 C ATOM 581 O LYS A 37 -5.162 -9.988 -3.595 1.00 0.00 O ATOM 582 CB LYS A 37 -2.914 -11.605 -5.409 1.00 0.00 C ATOM 583 CG LYS A 37 -3.995 -12.177 -6.320 1.00 0.00 C ATOM 584 CD LYS A 37 -3.400 -12.437 -7.697 1.00 0.00 C ATOM 585 CE LYS A 37 -4.415 -13.156 -8.581 1.00 0.00 C ATOM 586 NZ LYS A 37 -5.461 -12.197 -9.032 1.00 0.00 N ATOM 0 H LYS A 37 -2.770 -13.592 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.766 -10.843 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.655 -10.597 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.009 -12.208 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.390 -13.102 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.830 -11.480 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.108 -11.494 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.497 -13.040 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.913 -13.594 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.874 -13.976 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.973 -12.598 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.129 -12.020 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.013 -11.302 -9.314 1.00 0.00 H new ATOM 600 N ALA A 38 -5.762 -12.102 -4.092 1.00 0.00 N ATOM 601 CA ALA A 38 -7.184 -11.807 -3.984 1.00 0.00 C ATOM 602 C ALA A 38 -7.492 -11.369 -2.552 1.00 0.00 C ATOM 603 O ALA A 38 -8.298 -10.472 -2.319 1.00 0.00 O ATOM 604 CB ALA A 38 -8.002 -13.046 -4.336 1.00 0.00 C ATOM 0 H ALA A 38 -5.540 -13.066 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.446 -11.008 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.064 -12.816 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.776 -13.353 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.751 -13.855 -3.650 1.00 0.00 H new ATOM 610 N GLU A 39 -6.843 -12.025 -1.602 1.00 0.00 N ATOM 611 CA GLU A 39 -7.006 -11.694 -0.189 1.00 0.00 C ATOM 612 C GLU A 39 -6.451 -10.289 0.077 1.00 0.00 C ATOM 613 O GLU A 39 -7.019 -9.504 0.833 1.00 0.00 O ATOM 614 CB GLU A 39 -6.229 -12.713 0.649 1.00 0.00 C ATOM 615 CG GLU A 39 -6.041 -12.202 2.076 1.00 0.00 C ATOM 616 CD GLU A 39 -7.353 -12.310 2.855 1.00 0.00 C ATOM 617 OE1 GLU A 39 -8.332 -12.748 2.274 1.00 0.00 O ATOM 618 OE2 GLU A 39 -7.355 -11.960 4.024 1.00 0.00 O ATOM 0 H GLU A 39 -6.196 -12.793 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.063 -11.720 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.764 -13.663 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.257 -12.902 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.264 -12.779 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.706 -11.165 2.057 1.00 0.00 H new ATOM 625 N TYR A 40 -5.330 -10.009 -0.563 1.00 0.00 N ATOM 626 CA TYR A 40 -4.632 -8.749 -0.438 1.00 0.00 C ATOM 627 C TYR A 40 -5.538 -7.582 -0.837 1.00 0.00 C ATOM 628 O TYR A 40 -6.251 -7.039 0.004 1.00 0.00 O ATOM 629 CB TYR A 40 -3.392 -8.813 -1.333 1.00 0.00 C ATOM 630 CG TYR A 40 -2.677 -7.488 -1.349 1.00 0.00 C ATOM 631 CD1 TYR A 40 -2.044 -7.024 -0.195 1.00 0.00 C ATOM 632 CD2 TYR A 40 -2.639 -6.734 -2.527 1.00 0.00 C ATOM 633 CE1 TYR A 40 -1.375 -5.793 -0.217 1.00 0.00 C ATOM 634 CE2 TYR A 40 -1.968 -5.512 -2.555 1.00 0.00 C ATOM 635 CZ TYR A 40 -1.338 -5.037 -1.398 1.00 0.00 C ATOM 636 OH TYR A 40 -0.706 -3.813 -1.414 1.00 0.00 O ATOM 0 H TYR A 40 -4.873 -10.666 -1.196 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.338 -8.581 0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.718 -9.591 -0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.683 -9.087 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.070 -7.611 0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.130 -7.099 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.888 -5.427 0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.934 -4.933 -3.466 1.00 0.00 H new ATOM 0 HH TYR A 40 0.160 -3.898 -1.865 1.00 0.00 H new ATOM 646 N LYS A 41 -5.522 -7.227 -2.123 1.00 0.00 N ATOM 647 CA LYS A 41 -6.316 -6.107 -2.631 1.00 0.00 C ATOM 648 C LYS A 41 -6.544 -5.048 -1.546 1.00 0.00 C ATOM 649 O LYS A 41 -7.663 -4.580 -1.346 1.00 0.00 O ATOM 650 CB LYS A 41 -7.660 -6.616 -3.148 1.00 0.00 C ATOM 651 CG LYS A 41 -8.396 -7.353 -2.032 1.00 0.00 C ATOM 652 CD LYS A 41 -9.734 -7.864 -2.553 1.00 0.00 C ATOM 653 CE LYS A 41 -10.519 -8.491 -1.405 1.00 0.00 C ATOM 654 NZ LYS A 41 -11.822 -9.005 -1.916 1.00 0.00 N ATOM 0 H LYS A 41 -4.965 -7.701 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.762 -5.643 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.263 -5.781 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.505 -7.283 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.792 -8.186 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.555 -6.686 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.303 -7.044 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.573 -8.599 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.945 -9.303 -0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.689 -7.753 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.357 -9.433 -1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.370 -8.220 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.649 -9.722 -2.649 1.00 0.00 H new ATOM 668 N GLU A 42 -5.477 -4.665 -0.860 1.00 0.00 N ATOM 669 CA GLU A 42 -5.588 -3.678 0.200 1.00 0.00 C ATOM 670 C GLU A 42 -5.768 -2.282 -0.389 1.00 0.00 C ATOM 671 O GLU A 42 -6.841 -1.689 -0.292 1.00 0.00 O ATOM 672 CB GLU A 42 -4.338 -3.712 1.073 1.00 0.00 C ATOM 673 CG GLU A 42 -4.317 -5.004 1.880 1.00 0.00 C ATOM 674 CD GLU A 42 -3.158 -4.975 2.875 1.00 0.00 C ATOM 675 OE1 GLU A 42 -3.128 -4.069 3.690 1.00 0.00 O ATOM 676 OE2 GLU A 42 -2.318 -5.856 2.804 1.00 0.00 O ATOM 0 H GLU A 42 -4.534 -5.020 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.460 -3.917 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.445 -3.645 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.326 -2.852 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.261 -5.127 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.213 -5.859 1.212 1.00 0.00 H new ATOM 683 N LYS A 43 -4.720 -1.764 -1.007 1.00 0.00 N ATOM 684 CA LYS A 43 -4.787 -0.434 -1.587 1.00 0.00 C ATOM 685 C LYS A 43 -3.518 -0.138 -2.380 1.00 0.00 C ATOM 686 O LYS A 43 -2.927 0.932 -2.250 1.00 0.00 O ATOM 687 CB LYS A 43 -4.948 0.601 -0.476 1.00 0.00 C ATOM 688 CG LYS A 43 -3.943 0.314 0.636 1.00 0.00 C ATOM 689 CD LYS A 43 -3.963 1.452 1.651 1.00 0.00 C ATOM 690 CE LYS A 43 -3.470 2.734 0.991 1.00 0.00 C ATOM 691 NZ LYS A 43 -3.454 3.837 1.992 1.00 0.00 N ATOM 0 H LYS A 43 -3.823 -2.237 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.643 -0.385 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.791 1.604 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.963 0.570 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.187 -0.628 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.943 0.205 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.974 1.594 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.331 1.204 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.470 2.584 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.118 2.997 0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.117 4.711 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.415 3.986 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.818 3.585 2.776 1.00 0.00 H new ATOM 705 N THR A 44 -3.096 -1.091 -3.194 1.00 0.00 N ATOM 706 CA THR A 44 -1.900 -0.902 -3.991 1.00 0.00 C ATOM 707 C THR A 44 -2.091 -1.486 -5.388 1.00 0.00 C ATOM 708 O THR A 44 -2.213 -0.751 -6.365 1.00 0.00 O ATOM 709 CB THR A 44 -0.707 -1.565 -3.311 1.00 0.00 C ATOM 710 OG1 THR A 44 -0.466 -0.942 -2.056 1.00 0.00 O ATOM 711 CG2 THR A 44 0.528 -1.423 -4.195 1.00 0.00 C ATOM 0 H THR A 44 -3.558 -1.992 -3.318 1.00 0.00 H new ATOM 0 HA THR A 44 -1.711 0.168 -4.082 1.00 0.00 H new ATOM 0 HB THR A 44 -0.922 -2.622 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.465 -1.620 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.380 -1.897 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.345 -1.904 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.742 -0.366 -4.353 1.00 0.00 H new ATOM 719 N GLY A 45 -2.122 -2.806 -5.480 1.00 0.00 N ATOM 720 CA GLY A 45 -2.269 -3.445 -6.770 1.00 0.00 C ATOM 721 C GLY A 45 -3.659 -4.059 -6.953 1.00 0.00 C ATOM 722 O GLY A 45 -4.128 -4.191 -8.081 1.00 0.00 O ATOM 0 H GLY A 45 -2.048 -3.444 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.089 -2.714 -7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.513 -4.223 -6.877 1.00 0.00 H new ATOM 726 N LYS A 46 -4.324 -4.413 -5.852 1.00 0.00 N ATOM 727 CA LYS A 46 -5.624 -5.071 -5.943 1.00 0.00 C ATOM 728 C LYS A 46 -5.395 -6.412 -6.616 1.00 0.00 C ATOM 729 O LYS A 46 -5.232 -6.489 -7.832 1.00 0.00 O ATOM 730 CB LYS A 46 -6.610 -4.219 -6.732 1.00 0.00 C ATOM 731 CG LYS A 46 -7.638 -3.628 -5.771 1.00 0.00 C ATOM 732 CD LYS A 46 -6.932 -3.111 -4.518 1.00 0.00 C ATOM 733 CE LYS A 46 -7.956 -2.515 -3.561 1.00 0.00 C ATOM 734 NZ LYS A 46 -8.563 -1.295 -4.169 1.00 0.00 N ATOM 0 H LYS A 46 -3.989 -4.257 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.058 -5.210 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.083 -3.422 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.108 -4.824 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.180 -2.816 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.374 -4.385 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.394 -3.924 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.193 -2.358 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.732 -3.248 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.479 -2.262 -2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.017 -0.726 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.821 -0.732 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.274 -1.576 -4.874 1.00 0.00 H new ATOM 748 N GLU A 47 -5.397 -7.473 -5.821 1.00 0.00 N ATOM 749 CA GLU A 47 -5.053 -8.776 -6.355 1.00 0.00 C ATOM 750 C GLU A 47 -3.624 -8.615 -6.842 1.00 0.00 C ATOM 751 O GLU A 47 -3.317 -8.787 -8.021 1.00 0.00 O ATOM 752 CB GLU A 47 -5.981 -9.152 -7.504 1.00 0.00 C ATOM 753 CG GLU A 47 -7.426 -9.116 -7.019 1.00 0.00 C ATOM 754 CD GLU A 47 -7.970 -10.537 -6.843 1.00 0.00 C ATOM 755 OE1 GLU A 47 -7.226 -11.472 -7.085 1.00 0.00 O ATOM 756 OE2 GLU A 47 -9.124 -10.665 -6.469 1.00 0.00 O ATOM 0 H GLU A 47 -5.628 -7.457 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.153 -9.570 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.847 -8.460 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.735 -10.147 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.485 -8.578 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.042 -8.571 -7.734 1.00 0.00 H new ATOM 763 N TYR A 48 -2.767 -8.259 -5.891 1.00 0.00 N ATOM 764 CA TYR A 48 -1.381 -7.929 -6.174 1.00 0.00 C ATOM 765 C TYR A 48 -0.747 -8.849 -7.212 1.00 0.00 C ATOM 766 O TYR A 48 -0.976 -10.055 -7.226 1.00 0.00 O ATOM 767 CB TYR A 48 -0.544 -7.968 -4.910 1.00 0.00 C ATOM 768 CG TYR A 48 0.582 -6.998 -5.117 1.00 0.00 C ATOM 769 CD1 TYR A 48 1.689 -7.375 -5.883 1.00 0.00 C ATOM 770 CD2 TYR A 48 0.460 -5.684 -4.664 1.00 0.00 C ATOM 771 CE1 TYR A 48 2.663 -6.433 -6.211 1.00 0.00 C ATOM 772 CE2 TYR A 48 1.431 -4.740 -4.984 1.00 0.00 C ATOM 773 CZ TYR A 48 2.537 -5.110 -5.761 1.00 0.00 C ATOM 774 OH TYR A 48 3.500 -4.176 -6.083 1.00 0.00 O ATOM 0 H TYR A 48 -3.016 -8.192 -4.904 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.397 -6.919 -6.584 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.140 -7.691 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.163 -8.973 -4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.790 -8.396 -6.221 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.391 -5.399 -4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.514 -6.721 -6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.332 -3.723 -4.634 1.00 0.00 H new ATOM 0 HH TYR A 48 3.259 -3.310 -5.693 1.00 0.00 H new ATOM 784 N VAL A 49 0.070 -8.249 -8.067 1.00 0.00 N ATOM 785 CA VAL A 49 0.777 -8.992 -9.097 1.00 0.00 C ATOM 786 C VAL A 49 2.222 -9.236 -8.654 1.00 0.00 C ATOM 787 O VAL A 49 3.058 -8.334 -8.693 1.00 0.00 O ATOM 788 CB VAL A 49 0.759 -8.209 -10.404 1.00 0.00 C ATOM 789 CG1 VAL A 49 1.413 -9.037 -11.505 1.00 0.00 C ATOM 790 CG2 VAL A 49 -0.684 -7.898 -10.788 1.00 0.00 C ATOM 0 H VAL A 49 0.259 -7.247 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 49 0.283 -9.951 -9.252 1.00 0.00 H new ATOM 0 HB VAL A 49 1.311 -7.278 -10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.399 -8.476 -12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.444 -9.259 -11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.864 -9.970 -11.634 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.699 -7.338 -11.723 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.236 -8.830 -10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.150 -7.304 -10.002 1.00 0.00 H new ATOM 800 N PRO A 50 2.531 -10.467 -8.220 1.00 0.00 N ATOM 801 CA PRO A 50 3.858 -10.839 -7.745 1.00 0.00 C ATOM 802 C PRO A 50 4.830 -11.195 -8.878 1.00 0.00 C ATOM 803 O PRO A 50 5.801 -10.481 -9.117 1.00 0.00 O ATOM 804 CB PRO A 50 3.592 -12.046 -6.862 1.00 0.00 C ATOM 805 CG PRO A 50 2.306 -12.669 -7.401 1.00 0.00 C ATOM 806 CD PRO A 50 1.580 -11.573 -8.184 1.00 0.00 C ATOM 0 HA PRO A 50 4.343 -10.012 -7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.419 -12.754 -6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.478 -11.752 -5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.529 -13.521 -8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.684 -13.039 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.320 -11.907 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.651 -11.283 -7.694 1.00 0.00 H new ATOM 814 N GLY A 51 4.568 -12.298 -9.568 1.00 0.00 N ATOM 815 CA GLY A 51 5.437 -12.722 -10.651 1.00 0.00 C ATOM 816 C GLY A 51 4.855 -13.963 -11.315 1.00 0.00 C ATOM 817 O GLY A 51 4.664 -14.005 -12.528 1.00 0.00 O ATOM 0 H GLY A 51 3.768 -12.908 -9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.541 -11.921 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.435 -12.936 -10.268 1.00 0.00 H new ATOM 821 N LEU A 52 4.579 -14.974 -10.510 1.00 0.00 N ATOM 822 CA LEU A 52 3.995 -16.197 -11.031 1.00 0.00 C ATOM 823 C LEU A 52 2.486 -15.998 -11.150 1.00 0.00 C ATOM 824 O LEU A 52 1.965 -15.806 -12.248 1.00 0.00 O ATOM 825 CB LEU A 52 4.303 -17.372 -10.106 1.00 0.00 C ATOM 826 CG LEU A 52 5.804 -17.446 -9.849 1.00 0.00 C ATOM 827 CD1 LEU A 52 6.101 -18.610 -8.909 1.00 0.00 C ATOM 828 CD2 LEU A 52 6.539 -17.658 -11.169 1.00 0.00 C ATOM 0 H LEU A 52 4.748 -14.973 -9.504 1.00 0.00 H new ATOM 0 HA LEU A 52 4.419 -16.421 -12.010 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.769 -17.255 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.955 -18.302 -10.556 1.00 0.00 H new ATOM 0 HG LEU A 52 6.140 -16.515 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.174 -18.664 -8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.578 -18.458 -7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.764 -19.541 -9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.612 -17.711 -10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.204 -18.589 -11.627 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.327 -16.826 -11.841 1.00 0.00 H new ATOM 840 N GLU A 53 1.792 -16.040 -10.018 1.00 0.00 N ATOM 841 CA GLU A 53 0.359 -15.826 -10.010 1.00 0.00 C ATOM 842 C GLU A 53 -0.305 -16.774 -11.008 1.00 0.00 C ATOM 843 O GLU A 53 -1.243 -16.404 -11.711 1.00 0.00 O ATOM 844 CB GLU A 53 0.090 -14.380 -10.393 1.00 0.00 C ATOM 845 CG GLU A 53 -1.318 -13.973 -9.979 1.00 0.00 C ATOM 846 CD GLU A 53 -1.595 -12.548 -10.459 1.00 0.00 C ATOM 847 OE1 GLU A 53 -1.997 -12.397 -11.600 1.00 0.00 O ATOM 848 OE2 GLU A 53 -1.384 -11.631 -9.684 1.00 0.00 O ATOM 0 H GLU A 53 2.201 -16.220 -9.101 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.051 -16.025 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.820 -13.728 -9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.210 -14.254 -11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.048 -14.661 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.422 -14.030 -8.895 1.00 0.00 H new