USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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 9 TYR OH : rot 180:sc= 0.0352 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 160:sc= -0.0129 (180deg=-0.535) USER MOD Single : A 5 HIS : no HD1:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 6 TYR OH : rot 165:sc= 0.00916 USER MOD Single : A 15 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-4.8!) USER MOD Single : A 16 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 160:sc= -1.49 USER MOD Single : A 39 THR OG1 : rot 25:sc= 0.243 USER MOD Single : A 43 THR OG1 : rot -150:sc= -0.407 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -22:sc= -1.11 USER MOD Single : A 62 CYS SG : rot -60:sc= -3.48 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -2.38 X(o=-2.4,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 5.983 0.799 -11.033 1.00 0.00 N ATOM 35 CA VAL A 3 5.757 1.536 -9.755 1.00 0.00 C ATOM 36 C VAL A 3 5.353 2.980 -10.046 1.00 0.00 C ATOM 37 O VAL A 3 5.670 3.533 -11.084 1.00 0.00 O ATOM 38 CB VAL A 3 7.035 1.529 -8.911 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.468 0.086 -8.664 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.152 2.280 -9.642 1.00 0.00 C ATOM 0 HA VAL A 3 4.957 1.040 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 3 6.839 2.023 -7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.378 0.077 -8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.678 -0.445 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.658 -0.405 -9.618 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.056 2.269 -9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.352 1.795 -10.597 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.844 3.311 -9.816 1.00 0.00 H new ATOM 50 N ALA A 4 4.649 3.592 -9.123 1.00 0.00 N ATOM 51 CA ALA A 4 4.200 5.003 -9.306 1.00 0.00 C ATOM 52 C ALA A 4 4.905 5.899 -8.286 1.00 0.00 C ATOM 53 O ALA A 4 5.063 5.548 -7.129 1.00 0.00 O ATOM 54 CB ALA A 4 2.689 5.079 -9.099 1.00 0.00 C ATOM 0 H ALA A 4 4.365 3.166 -8.241 1.00 0.00 H new ATOM 0 HA ALA A 4 4.448 5.341 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.355 6.108 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.189 4.439 -9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.443 4.744 -8.091 1.00 0.00 H new ATOM 60 N HIS A 5 5.334 7.053 -8.719 1.00 0.00 N ATOM 61 CA HIS A 5 6.045 7.993 -7.808 1.00 0.00 C ATOM 62 C HIS A 5 5.045 8.952 -7.160 1.00 0.00 C ATOM 63 O HIS A 5 4.126 9.439 -7.795 1.00 0.00 O ATOM 64 CB HIS A 5 7.065 8.786 -8.620 1.00 0.00 C ATOM 65 CG HIS A 5 8.118 7.848 -9.145 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.082 8.251 -10.057 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.368 6.520 -8.899 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.861 7.185 -10.320 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.469 6.105 -9.640 1.00 0.00 N ATOM 0 H HIS A 5 5.221 7.388 -9.676 1.00 0.00 H new ATOM 0 HA HIS A 5 6.550 7.431 -7.023 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.571 9.297 -9.447 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.524 9.555 -7.998 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.796 5.893 -8.231 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.701 7.201 -10.999 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.887 5.175 -9.660 1.00 0.00 H new ATOM 77 N TYR A 6 5.219 9.222 -5.891 1.00 0.00 N ATOM 78 CA TYR A 6 4.287 10.143 -5.182 1.00 0.00 C ATOM 79 C TYR A 6 5.039 10.878 -4.068 1.00 0.00 C ATOM 80 O TYR A 6 5.608 10.272 -3.176 1.00 0.00 O ATOM 81 CB TYR A 6 3.132 9.339 -4.585 1.00 0.00 C ATOM 82 CG TYR A 6 2.105 10.283 -4.000 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.303 11.052 -4.849 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.955 10.389 -2.610 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.350 11.926 -4.314 1.00 0.00 C ATOM 86 CE2 TYR A 6 1.001 11.262 -2.074 1.00 0.00 C ATOM 87 CZ TYR A 6 0.198 12.031 -2.926 1.00 0.00 C ATOM 88 OH TYR A 6 -0.743 12.891 -2.397 1.00 0.00 O ATOM 0 H TYR A 6 5.970 8.841 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 6 3.890 10.873 -5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.673 8.717 -5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.505 8.667 -3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.419 10.971 -5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.575 9.797 -1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.268 12.519 -4.971 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.884 11.343 -1.003 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.890 12.675 -1.452 1.00 0.00 H new ATOM 98 N ARG A 7 5.042 12.183 -4.126 1.00 0.00 N ATOM 99 CA ARG A 7 5.751 12.998 -3.095 1.00 0.00 C ATOM 100 C ARG A 7 7.205 12.533 -2.954 1.00 0.00 C ATOM 101 O ARG A 7 7.814 12.648 -1.904 1.00 0.00 O ATOM 102 CB ARG A 7 5.026 12.885 -1.753 1.00 0.00 C ATOM 103 CG ARG A 7 3.690 13.630 -1.836 1.00 0.00 C ATOM 104 CD ARG A 7 2.964 13.515 -0.497 1.00 0.00 C ATOM 105 NE ARG A 7 1.648 14.213 -0.571 1.00 0.00 N ATOM 106 CZ ARG A 7 1.555 15.492 -0.311 1.00 0.00 C ATOM 107 NH1 ARG A 7 2.616 16.181 0.013 1.00 0.00 N ATOM 108 NH2 ARG A 7 0.394 16.082 -0.378 1.00 0.00 N ATOM 0 H ARG A 7 4.577 12.727 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 7 5.751 14.041 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.857 11.837 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.641 13.305 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.860 14.678 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.076 13.211 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.815 12.465 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.573 13.951 0.295 1.00 0.00 H new ATOM 0 HE ARG A 7 0.812 13.688 -0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.526 15.722 0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.535 17.178 0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.436 15.547 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.316 17.079 -0.176 1.00 0.00 H new ATOM 122 N GLY A 8 7.764 12.018 -4.014 1.00 0.00 N ATOM 123 CA GLY A 8 9.178 11.551 -3.971 1.00 0.00 C ATOM 124 C GLY A 8 9.238 10.121 -3.436 1.00 0.00 C ATOM 125 O GLY A 8 10.303 9.544 -3.290 1.00 0.00 O ATOM 0 H GLY A 8 7.299 11.900 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.615 11.594 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.769 12.211 -3.336 1.00 0.00 H new ATOM 129 N TYR A 9 8.102 9.543 -3.140 1.00 0.00 N ATOM 130 CA TYR A 9 8.073 8.147 -2.609 1.00 0.00 C ATOM 131 C TYR A 9 7.603 7.186 -3.699 1.00 0.00 C ATOM 132 O TYR A 9 6.698 7.475 -4.462 1.00 0.00 O ATOM 133 CB TYR A 9 7.120 8.069 -1.418 1.00 0.00 C ATOM 134 CG TYR A 9 7.680 8.875 -0.271 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.415 10.246 -0.180 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.464 8.249 0.706 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.930 10.992 0.887 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.981 8.994 1.773 1.00 0.00 C ATOM 139 CZ TYR A 9 8.714 10.365 1.863 1.00 0.00 C ATOM 140 OH TYR A 9 9.221 11.099 2.916 1.00 0.00 O ATOM 0 H TYR A 9 7.187 9.982 -3.244 1.00 0.00 H new ATOM 0 HA TYR A 9 9.077 7.867 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.138 8.450 -1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.984 7.031 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.812 10.730 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.670 7.191 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.723 12.050 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.586 8.511 2.526 1.00 0.00 H new ATOM 0 HH TYR A 9 9.742 10.512 3.503 1.00 0.00 H new ATOM 150 N GLU A 10 8.217 6.035 -3.769 1.00 0.00 N ATOM 151 CA GLU A 10 7.830 5.032 -4.795 1.00 0.00 C ATOM 152 C GLU A 10 6.697 4.170 -4.247 1.00 0.00 C ATOM 153 O GLU A 10 6.690 3.798 -3.085 1.00 0.00 O ATOM 154 CB GLU A 10 9.035 4.150 -5.115 1.00 0.00 C ATOM 155 CG GLU A 10 10.086 4.986 -5.846 1.00 0.00 C ATOM 156 CD GLU A 10 11.330 4.138 -6.118 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.331 2.981 -5.738 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.262 4.664 -6.706 1.00 0.00 O ATOM 0 H GLU A 10 8.977 5.747 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 10 7.499 5.537 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.454 3.738 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.730 3.306 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.677 5.359 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.353 5.856 -5.246 1.00 0.00 H new ATOM 165 N ILE A 11 5.734 3.858 -5.078 1.00 0.00 N ATOM 166 CA ILE A 11 4.579 3.026 -4.631 1.00 0.00 C ATOM 167 C ILE A 11 4.471 1.788 -5.517 1.00 0.00 C ATOM 168 O ILE A 11 4.476 1.875 -6.732 1.00 0.00 O ATOM 169 CB ILE A 11 3.298 3.849 -4.731 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.402 5.045 -3.779 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.105 2.979 -4.335 1.00 0.00 C ATOM 172 CD1 ILE A 11 2.239 6.006 -4.024 1.00 0.00 C ATOM 0 H ILE A 11 5.700 4.148 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 11 4.728 2.714 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 11 3.161 4.203 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.389 4.700 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.350 5.561 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.188 3.565 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.041 2.122 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.234 2.629 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.319 6.854 -3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.272 6.362 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.296 5.488 -3.849 1.00 0.00 H new ATOM 184 N GLU A 12 4.373 0.635 -4.906 1.00 0.00 N ATOM 185 CA GLU A 12 4.263 -0.642 -5.676 1.00 0.00 C ATOM 186 C GLU A 12 2.952 -1.348 -5.289 1.00 0.00 C ATOM 187 O GLU A 12 2.910 -2.084 -4.324 1.00 0.00 O ATOM 188 CB GLU A 12 5.454 -1.539 -5.327 1.00 0.00 C ATOM 189 CG GLU A 12 6.704 -0.675 -5.174 1.00 0.00 C ATOM 190 CD GLU A 12 7.932 -1.576 -5.070 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.439 -1.975 -6.104 1.00 0.00 O ATOM 192 OE2 GLU A 12 8.341 -1.858 -3.955 1.00 0.00 O ATOM 0 H GLU A 12 4.364 0.522 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 12 4.264 -0.437 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.257 -2.082 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.605 -2.284 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.803 -0.004 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.621 -0.050 -4.285 1.00 0.00 H new ATOM 199 N PRO A 13 1.884 -1.110 -6.013 1.00 0.00 N ATOM 200 CA PRO A 13 0.555 -1.718 -5.715 1.00 0.00 C ATOM 201 C PRO A 13 0.446 -3.172 -6.192 1.00 0.00 C ATOM 202 O PRO A 13 1.039 -3.566 -7.180 1.00 0.00 O ATOM 203 CB PRO A 13 -0.423 -0.805 -6.465 1.00 0.00 C ATOM 204 CG PRO A 13 0.354 -0.282 -7.634 1.00 0.00 C ATOM 205 CD PRO A 13 1.826 -0.244 -7.204 1.00 0.00 C ATOM 0 HA PRO A 13 0.360 -1.777 -4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.305 -1.355 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.772 0.007 -5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.222 -0.924 -8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.007 0.712 -7.915 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.480 -0.612 -7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.146 0.772 -6.972 1.00 0.00 H new ATOM 213 N GLY A 14 -0.315 -3.971 -5.492 1.00 0.00 N ATOM 214 CA GLY A 14 -0.471 -5.394 -5.894 1.00 0.00 C ATOM 215 C GLY A 14 -1.466 -6.090 -4.962 1.00 0.00 C ATOM 216 O GLY A 14 -1.760 -5.616 -3.879 1.00 0.00 O ATOM 0 H GLY A 14 -0.835 -3.696 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.821 -5.454 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.493 -5.900 -5.855 1.00 0.00 H new ATOM 220 N HIS A 15 -1.989 -7.214 -5.385 1.00 0.00 N ATOM 221 CA HIS A 15 -2.976 -7.955 -4.548 1.00 0.00 C ATOM 222 C HIS A 15 -2.259 -9.010 -3.710 1.00 0.00 C ATOM 223 O HIS A 15 -1.542 -9.850 -4.222 1.00 0.00 O ATOM 224 CB HIS A 15 -4.005 -8.631 -5.458 1.00 0.00 C ATOM 225 CG HIS A 15 -3.342 -9.685 -6.308 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.505 -9.366 -7.369 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.400 -11.057 -6.278 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.098 -10.522 -7.926 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.614 -11.583 -7.301 1.00 0.00 N ATOM 0 H HIS A 15 -1.772 -7.651 -6.281 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.481 -7.256 -3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.792 -9.083 -4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.481 -7.886 -6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.969 -11.640 -5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.434 -10.584 -8.776 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.465 -12.567 -7.524 1.00 0.00 H new ATOM 237 N GLN A 16 -2.449 -8.967 -2.417 1.00 0.00 N ATOM 238 CA GLN A 16 -1.785 -9.956 -1.528 1.00 0.00 C ATOM 239 C GLN A 16 -2.664 -10.215 -0.307 1.00 0.00 C ATOM 240 O GLN A 16 -3.448 -9.373 0.106 1.00 0.00 O ATOM 241 CB GLN A 16 -0.430 -9.413 -1.072 1.00 0.00 C ATOM 242 CG GLN A 16 0.246 -10.444 -0.163 1.00 0.00 C ATOM 243 CD GLN A 16 1.670 -9.992 0.155 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.110 -8.956 -0.306 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.415 -10.728 0.932 1.00 0.00 N ATOM 0 H GLN A 16 -3.039 -8.285 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.636 -10.887 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.201 -9.203 -1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.563 -8.472 -0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.324 -10.560 0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.264 -11.418 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.046 -11.597 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.367 -10.435 1.153 1.00 0.00 H new ATOM 254 N TYR A 17 -2.529 -11.381 0.276 1.00 0.00 N ATOM 255 CA TYR A 17 -3.338 -11.740 1.476 1.00 0.00 C ATOM 256 C TYR A 17 -2.449 -11.752 2.715 1.00 0.00 C ATOM 257 O TYR A 17 -1.339 -12.255 2.700 1.00 0.00 O ATOM 258 CB TYR A 17 -3.966 -13.120 1.271 1.00 0.00 C ATOM 259 CG TYR A 17 -2.887 -14.181 1.250 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.241 -14.505 0.049 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.540 -14.847 2.432 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.249 -15.494 0.032 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.550 -15.836 2.414 1.00 0.00 C ATOM 264 CZ TYR A 17 -0.904 -16.159 1.216 1.00 0.00 C ATOM 265 OH TYR A 17 0.073 -17.135 1.200 1.00 0.00 O ATOM 0 H TYR A 17 -1.883 -12.107 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.127 -11.001 1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.677 -13.328 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.525 -13.139 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.508 -13.992 -0.863 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.037 -14.597 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.751 -15.744 -0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.285 -16.350 3.326 1.00 0.00 H new ATOM 0 HH TYR A 17 0.191 -17.495 2.104 1.00 0.00 H new ATOM 275 N ARG A 18 -2.936 -11.198 3.794 1.00 0.00 N ATOM 276 CA ARG A 18 -2.141 -11.161 5.053 1.00 0.00 C ATOM 277 C ARG A 18 -2.547 -12.329 5.956 1.00 0.00 C ATOM 278 O ARG A 18 -3.713 -12.659 6.089 1.00 0.00 O ATOM 279 CB ARG A 18 -2.401 -9.834 5.769 1.00 0.00 C ATOM 280 CG ARG A 18 -1.846 -8.686 4.922 1.00 0.00 C ATOM 281 CD ARG A 18 -2.180 -7.348 5.583 1.00 0.00 C ATOM 282 NE ARG A 18 -1.481 -7.248 6.897 1.00 0.00 N ATOM 283 CZ ARG A 18 -0.259 -6.781 6.970 1.00 0.00 C ATOM 284 NH1 ARG A 18 0.374 -6.412 5.891 1.00 0.00 N ATOM 285 NH2 ARG A 18 0.329 -6.687 8.131 1.00 0.00 N ATOM 0 H ARG A 18 -3.858 -10.767 3.856 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.080 -11.248 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.470 -9.698 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.928 -9.838 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.766 -8.790 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.271 -8.723 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.876 -6.526 4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.257 -7.261 5.726 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.959 -7.546 7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.082 -6.486 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.325 -6.049 5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.163 -6.976 8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.280 -6.324 8.193 1.00 0.00 H new ATOM 299 N ASP A 19 -1.582 -12.953 6.576 1.00 0.00 N ATOM 300 CA ASP A 19 -1.872 -14.101 7.482 1.00 0.00 C ATOM 301 C ASP A 19 -2.623 -13.607 8.721 1.00 0.00 C ATOM 302 O ASP A 19 -3.330 -14.351 9.376 1.00 0.00 O ATOM 303 CB ASP A 19 -0.547 -14.733 7.910 1.00 0.00 C ATOM 304 CG ASP A 19 -0.813 -15.897 8.866 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.520 -16.808 8.474 1.00 0.00 O ATOM 306 OD2 ASP A 19 -0.301 -15.856 9.973 1.00 0.00 O ATOM 0 H ASP A 19 -0.594 -12.713 6.492 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.488 -14.835 6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.003 -15.087 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.082 -13.987 8.396 1.00 0.00 H new ATOM 311 N ASP A 20 -2.461 -12.355 9.053 1.00 0.00 N ATOM 312 CA ASP A 20 -3.147 -11.798 10.255 1.00 0.00 C ATOM 313 C ASP A 20 -4.666 -11.903 10.097 1.00 0.00 C ATOM 314 O ASP A 20 -5.370 -12.299 11.010 1.00 0.00 O ATOM 315 CB ASP A 20 -2.762 -10.329 10.412 1.00 0.00 C ATOM 316 CG ASP A 20 -1.310 -10.223 10.876 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.731 -11.252 11.183 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.800 -9.116 10.914 1.00 0.00 O ATOM 0 H ASP A 20 -1.880 -11.691 8.541 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.841 -12.365 11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.890 -9.806 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.421 -9.846 11.134 1.00 0.00 H new ATOM 323 N ILE A 21 -5.178 -11.548 8.945 1.00 0.00 N ATOM 324 CA ILE A 21 -6.653 -11.621 8.705 1.00 0.00 C ATOM 325 C ILE A 21 -6.949 -12.745 7.706 1.00 0.00 C ATOM 326 O ILE A 21 -8.090 -13.065 7.428 1.00 0.00 O ATOM 327 CB ILE A 21 -7.140 -10.276 8.151 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.233 -9.828 7.001 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.099 -9.228 9.264 1.00 0.00 C ATOM 330 CD1 ILE A 21 -6.842 -8.600 6.316 1.00 0.00 C ATOM 0 H ILE A 21 -4.632 -11.208 8.153 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.174 -11.832 9.639 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.160 -10.386 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.239 -9.590 7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.115 -10.638 6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.444 -8.270 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.746 -9.542 10.083 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.077 -9.124 9.629 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.196 -8.282 5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.827 -8.853 5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.937 -7.790 7.039 1.00 0.00 H new ATOM 342 N ARG A 22 -5.917 -13.350 7.175 1.00 0.00 N ATOM 343 CA ARG A 22 -6.107 -14.459 6.192 1.00 0.00 C ATOM 344 C ARG A 22 -7.105 -14.031 5.110 1.00 0.00 C ATOM 345 O ARG A 22 -7.966 -14.789 4.698 1.00 0.00 O ATOM 346 CB ARG A 22 -6.617 -15.712 6.915 1.00 0.00 C ATOM 347 CG ARG A 22 -5.533 -16.215 7.872 1.00 0.00 C ATOM 348 CD ARG A 22 -6.020 -17.473 8.593 1.00 0.00 C ATOM 349 NE ARG A 22 -7.174 -17.130 9.472 1.00 0.00 N ATOM 350 CZ ARG A 22 -6.980 -16.641 10.670 1.00 0.00 C ATOM 351 NH1 ARG A 22 -5.769 -16.435 11.114 1.00 0.00 N ATOM 352 NH2 ARG A 22 -8.004 -16.354 11.424 1.00 0.00 N ATOM 0 H ARG A 22 -4.945 -13.122 7.382 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.152 -14.687 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.529 -15.483 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.869 -16.487 6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.619 -16.433 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.289 -15.440 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.316 -18.230 7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.212 -17.900 9.187 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.126 -17.278 9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.966 -16.656 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.627 -16.053 12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.951 -16.511 11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.858 -15.973 12.359 1.00 0.00 H new ATOM 366 N LYS A 23 -6.985 -12.814 4.645 1.00 0.00 N ATOM 367 CA LYS A 23 -7.907 -12.308 3.584 1.00 0.00 C ATOM 368 C LYS A 23 -7.155 -11.376 2.636 1.00 0.00 C ATOM 369 O LYS A 23 -6.059 -10.927 2.921 1.00 0.00 O ATOM 370 CB LYS A 23 -9.077 -11.559 4.222 1.00 0.00 C ATOM 371 CG LYS A 23 -10.041 -12.566 4.849 1.00 0.00 C ATOM 372 CD LYS A 23 -11.205 -11.821 5.503 1.00 0.00 C ATOM 373 CE LYS A 23 -12.180 -12.831 6.108 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.311 -12.105 6.754 1.00 0.00 N ATOM 0 H LYS A 23 -6.282 -12.144 4.957 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.291 -13.157 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.711 -10.868 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.594 -10.962 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.415 -13.250 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.520 -13.171 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.832 -11.150 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.716 -11.203 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.557 -13.498 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.667 -13.453 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.974 -12.792 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.943 -11.486 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.806 -11.530 6.043 1.00 0.00 H new ATOM 388 N TYR A 24 -7.746 -11.093 1.501 1.00 0.00 N ATOM 389 CA TYR A 24 -7.087 -10.207 0.505 1.00 0.00 C ATOM 390 C TYR A 24 -7.378 -8.748 0.831 1.00 0.00 C ATOM 391 O TYR A 24 -8.516 -8.345 0.996 1.00 0.00 O ATOM 392 CB TYR A 24 -7.632 -10.534 -0.885 1.00 0.00 C ATOM 393 CG TYR A 24 -7.199 -11.926 -1.275 1.00 0.00 C ATOM 394 CD1 TYR A 24 -5.959 -12.122 -1.892 1.00 0.00 C ATOM 395 CD2 TYR A 24 -8.033 -13.021 -1.014 1.00 0.00 C ATOM 396 CE1 TYR A 24 -5.551 -13.412 -2.250 1.00 0.00 C ATOM 397 CE2 TYR A 24 -7.624 -14.312 -1.371 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.384 -14.508 -1.990 1.00 0.00 C ATOM 399 OH TYR A 24 -5.980 -15.779 -2.341 1.00 0.00 O ATOM 0 H TYR A 24 -8.663 -11.443 1.224 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.009 -10.368 0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.720 -10.465 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.265 -9.809 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.316 -11.278 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.991 -12.870 -0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.594 -13.563 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.266 -15.157 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.674 -16.424 -2.090 1.00 0.00 H new ATOM 409 N VAL A 25 -6.347 -7.942 0.910 1.00 0.00 N ATOM 410 CA VAL A 25 -6.545 -6.495 1.214 1.00 0.00 C ATOM 411 C VAL A 25 -5.474 -5.674 0.481 1.00 0.00 C ATOM 412 O VAL A 25 -4.366 -6.136 0.286 1.00 0.00 O ATOM 413 CB VAL A 25 -6.431 -6.265 2.725 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.478 -7.112 3.446 1.00 0.00 C ATOM 415 CG2 VAL A 25 -5.032 -6.655 3.211 1.00 0.00 C ATOM 0 H VAL A 25 -5.377 -8.227 0.776 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.535 -6.183 0.881 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.600 -5.210 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.399 -6.950 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.474 -6.825 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.309 -8.166 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.961 -6.488 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.852 -7.708 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.286 -6.047 2.699 1.00 0.00 H new ATOM 425 N PRO A 26 -5.791 -4.464 0.076 1.00 0.00 N ATOM 426 CA PRO A 26 -4.830 -3.584 -0.644 1.00 0.00 C ATOM 427 C PRO A 26 -3.420 -3.662 -0.049 1.00 0.00 C ATOM 428 O PRO A 26 -3.165 -3.203 1.052 1.00 0.00 O ATOM 429 CB PRO A 26 -5.421 -2.177 -0.477 1.00 0.00 C ATOM 430 CG PRO A 26 -6.895 -2.380 -0.266 1.00 0.00 C ATOM 431 CD PRO A 26 -7.095 -3.812 0.252 1.00 0.00 C ATOM 0 HA PRO A 26 -4.713 -3.876 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.971 -1.661 0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.232 -1.565 -1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.283 -1.656 0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.440 -2.230 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.400 -3.814 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.874 -4.329 -0.308 1.00 0.00 H new ATOM 439 N TYR A 27 -2.507 -4.247 -0.778 1.00 0.00 N ATOM 440 CA TYR A 27 -1.105 -4.381 -0.290 1.00 0.00 C ATOM 441 C TYR A 27 -0.180 -3.556 -1.180 1.00 0.00 C ATOM 442 O TYR A 27 -0.088 -3.778 -2.374 1.00 0.00 O ATOM 443 CB TYR A 27 -0.702 -5.853 -0.354 1.00 0.00 C ATOM 444 CG TYR A 27 0.697 -6.024 0.185 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.906 -6.115 1.564 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.784 -6.096 -0.696 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.201 -6.278 2.066 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.080 -6.258 -0.194 1.00 0.00 C ATOM 449 CZ TYR A 27 3.289 -6.349 1.187 1.00 0.00 C ATOM 450 OH TYR A 27 4.567 -6.510 1.683 1.00 0.00 O ATOM 0 H TYR A 27 -2.676 -4.642 -1.703 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.029 -4.022 0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.401 -6.456 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.751 -6.208 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.067 -6.059 2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.622 -6.027 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.362 -6.349 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.919 -6.313 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 27 5.151 -6.855 0.976 1.00 0.00 H new ATOM 460 N ALA A 28 0.504 -2.598 -0.605 1.00 0.00 N ATOM 461 CA ALA A 28 1.426 -1.744 -1.413 1.00 0.00 C ATOM 462 C ALA A 28 2.717 -1.509 -0.625 1.00 0.00 C ATOM 463 O ALA A 28 2.709 -1.389 0.588 1.00 0.00 O ATOM 464 CB ALA A 28 0.736 -0.400 -1.733 1.00 0.00 C ATOM 0 H ALA A 28 0.463 -2.371 0.389 1.00 0.00 H new ATOM 0 HA ALA A 28 1.670 -2.244 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.409 0.223 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.177 -0.585 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.488 0.112 -0.803 1.00 0.00 H new ATOM 470 N LEU A 29 3.823 -1.439 -1.317 1.00 0.00 N ATOM 471 CA LEU A 29 5.134 -1.210 -0.646 1.00 0.00 C ATOM 472 C LEU A 29 5.584 0.221 -0.916 1.00 0.00 C ATOM 473 O LEU A 29 5.559 0.691 -2.042 1.00 0.00 O ATOM 474 CB LEU A 29 6.164 -2.182 -1.218 1.00 0.00 C ATOM 475 CG LEU A 29 5.769 -3.620 -0.852 1.00 0.00 C ATOM 476 CD1 LEU A 29 6.573 -4.604 -1.707 1.00 0.00 C ATOM 477 CD2 LEU A 29 6.048 -3.888 0.638 1.00 0.00 C ATOM 0 H LEU A 29 3.873 -1.532 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 29 5.038 -1.370 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.220 -2.073 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.154 -1.954 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 29 4.704 -3.753 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.293 -5.625 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.362 -4.427 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.638 -4.462 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.763 -4.911 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.110 -3.749 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.469 -3.194 1.247 1.00 0.00 H new ATOM 489 N ILE A 30 5.992 0.917 0.114 1.00 0.00 N ATOM 490 CA ILE A 30 6.449 2.328 -0.046 1.00 0.00 C ATOM 491 C ILE A 30 7.936 2.423 0.289 1.00 0.00 C ATOM 492 O ILE A 30 8.379 1.989 1.338 1.00 0.00 O ATOM 493 CB ILE A 30 5.652 3.227 0.897 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.181 3.220 0.472 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.198 4.655 0.828 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.326 3.873 1.558 1.00 0.00 C ATOM 0 H ILE A 30 6.028 0.562 1.070 1.00 0.00 H new ATOM 0 HA ILE A 30 6.290 2.650 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 30 5.741 2.858 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.062 3.757 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.847 2.197 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.628 5.295 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.247 4.658 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.108 5.030 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.280 3.866 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.435 3.318 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.653 4.902 1.709 1.00 0.00 H new ATOM 508 N ARG A 31 8.709 2.989 -0.606 1.00 0.00 N ATOM 509 CA ARG A 31 10.178 3.125 -0.368 1.00 0.00 C ATOM 510 C ARG A 31 10.620 4.542 -0.737 1.00 0.00 C ATOM 511 O ARG A 31 10.259 5.071 -1.774 1.00 0.00 O ATOM 512 CB ARG A 31 10.934 2.104 -1.225 1.00 0.00 C ATOM 513 CG ARG A 31 10.626 0.690 -0.725 1.00 0.00 C ATOM 514 CD ARG A 31 11.382 -0.337 -1.574 1.00 0.00 C ATOM 515 NE ARG A 31 10.810 -0.368 -2.950 1.00 0.00 N ATOM 516 CZ ARG A 31 11.318 -1.156 -3.863 1.00 0.00 C ATOM 517 NH1 ARG A 31 12.346 -1.910 -3.587 1.00 0.00 N ATOM 518 NH2 ARG A 31 10.793 -1.186 -5.057 1.00 0.00 N ATOM 0 H ARG A 31 8.382 3.364 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 31 10.398 2.940 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.642 2.203 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 31 12.006 2.294 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.915 0.594 0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.554 0.501 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.441 -0.081 -1.615 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.311 -1.324 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 31 10.017 0.230 -3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.759 -1.888 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.737 -2.522 -4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.990 -0.597 -5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.186 -1.799 -5.772 1.00 0.00 H new ATOM 532 N LYS A 32 11.401 5.156 0.112 1.00 0.00 N ATOM 533 CA LYS A 32 11.874 6.541 -0.158 1.00 0.00 C ATOM 534 C LYS A 32 13.080 6.512 -1.099 1.00 0.00 C ATOM 535 O LYS A 32 13.976 5.697 -0.965 1.00 0.00 O ATOM 536 CB LYS A 32 12.264 7.210 1.160 1.00 0.00 C ATOM 537 CG LYS A 32 12.639 8.671 0.899 1.00 0.00 C ATOM 538 CD LYS A 32 12.947 9.373 2.226 1.00 0.00 C ATOM 539 CE LYS A 32 13.307 10.836 1.956 1.00 0.00 C ATOM 540 NZ LYS A 32 12.126 11.544 1.386 1.00 0.00 N ATOM 0 H LYS A 32 11.733 4.752 0.988 1.00 0.00 H new ATOM 0 HA LYS A 32 11.072 7.107 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.436 7.157 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.104 6.683 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.506 8.721 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.821 9.180 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.084 9.316 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.772 8.872 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.623 11.320 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.147 10.893 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.240 12.570 1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.049 11.330 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.263 11.228 1.873 1.00 0.00 H new ATOM 554 N VAL A 33 13.099 7.406 -2.049 1.00 0.00 N ATOM 555 CA VAL A 33 14.225 7.458 -3.019 1.00 0.00 C ATOM 556 C VAL A 33 15.506 7.911 -2.317 1.00 0.00 C ATOM 557 O VAL A 33 15.517 8.870 -1.563 1.00 0.00 O ATOM 558 CB VAL A 33 13.881 8.441 -4.134 1.00 0.00 C ATOM 559 CG1 VAL A 33 15.081 8.609 -5.068 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.688 7.906 -4.927 1.00 0.00 C ATOM 0 H VAL A 33 12.374 8.109 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 33 14.384 6.464 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 33 13.630 9.408 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.829 9.312 -5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.932 8.990 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.339 7.645 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.438 8.605 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.943 6.938 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.831 7.793 -4.263 1.00 0.00 H new ATOM 643 N THR A 39 14.438 -1.407 5.213 1.00 0.00 N ATOM 644 CA THR A 39 13.342 -2.333 5.613 1.00 0.00 C ATOM 645 C THR A 39 11.984 -1.725 5.234 1.00 0.00 C ATOM 646 O THR A 39 11.321 -1.115 6.053 1.00 0.00 O ATOM 647 CB THR A 39 13.402 -2.576 7.121 1.00 0.00 C ATOM 648 OG1 THR A 39 14.723 -2.957 7.480 1.00 0.00 O ATOM 649 CG2 THR A 39 12.429 -3.695 7.494 1.00 0.00 C ATOM 0 HA THR A 39 13.463 -3.283 5.092 1.00 0.00 H new ATOM 0 HB THR A 39 13.127 -1.665 7.652 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.356 -2.604 6.821 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.470 -3.870 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.417 -3.406 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.705 -4.608 6.967 1.00 0.00 H new ATOM 657 N PRO A 40 11.584 -1.883 3.997 1.00 0.00 N ATOM 658 CA PRO A 40 10.297 -1.331 3.489 1.00 0.00 C ATOM 659 C PRO A 40 9.099 -1.794 4.309 1.00 0.00 C ATOM 660 O PRO A 40 9.043 -2.917 4.779 1.00 0.00 O ATOM 661 CB PRO A 40 10.209 -1.863 2.049 1.00 0.00 C ATOM 662 CG PRO A 40 11.621 -2.148 1.662 1.00 0.00 C ATOM 663 CD PRO A 40 12.320 -2.593 2.943 1.00 0.00 C ATOM 0 HA PRO A 40 10.275 -0.243 3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.595 -2.762 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.757 -1.128 1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.668 -2.926 0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.098 -1.262 1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.268 -3.674 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.376 -2.323 2.939 1.00 0.00 H new ATOM 671 N ILE A 41 8.135 -0.922 4.481 1.00 0.00 N ATOM 672 CA ILE A 41 6.919 -1.275 5.268 1.00 0.00 C ATOM 673 C ILE A 41 5.693 -1.229 4.344 1.00 0.00 C ATOM 674 O ILE A 41 5.504 -0.274 3.616 1.00 0.00 O ATOM 675 CB ILE A 41 6.744 -0.271 6.408 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.097 -0.087 7.132 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.694 -0.808 7.392 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.897 1.059 6.498 1.00 0.00 C ATOM 0 H ILE A 41 8.142 0.026 4.105 1.00 0.00 H new ATOM 0 HA ILE A 41 7.024 -2.277 5.685 1.00 0.00 H new ATOM 0 HB ILE A 41 6.412 0.690 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.925 0.123 8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.672 -1.011 7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.563 -0.098 8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.745 -0.943 6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.028 -1.765 7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.846 1.173 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.086 0.834 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.328 1.985 6.573 1.00 0.00 H new ATOM 690 N PRO A 42 4.873 -2.251 4.357 1.00 0.00 N ATOM 691 CA PRO A 42 3.661 -2.315 3.493 1.00 0.00 C ATOM 692 C PRO A 42 2.540 -1.403 3.991 1.00 0.00 C ATOM 693 O PRO A 42 2.393 -1.167 5.179 1.00 0.00 O ATOM 694 CB PRO A 42 3.256 -3.791 3.573 1.00 0.00 C ATOM 695 CG PRO A 42 3.715 -4.235 4.920 1.00 0.00 C ATOM 696 CD PRO A 42 4.998 -3.458 5.195 1.00 0.00 C ATOM 0 HA PRO A 42 3.856 -1.972 2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.179 -3.913 3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.727 -4.375 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.961 -4.027 5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.897 -5.310 4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.091 -3.203 6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.881 -4.039 4.928 1.00 0.00 H new ATOM 704 N THR A 43 1.744 -0.894 3.085 1.00 0.00 N ATOM 705 CA THR A 43 0.619 0.001 3.475 1.00 0.00 C ATOM 706 C THR A 43 -0.699 -0.720 3.218 1.00 0.00 C ATOM 707 O THR A 43 -0.902 -1.319 2.171 1.00 0.00 O ATOM 708 CB THR A 43 0.675 1.294 2.658 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.582 1.951 2.731 1.00 0.00 O ATOM 710 CG2 THR A 43 1.008 0.988 1.195 1.00 0.00 C ATOM 0 H THR A 43 1.829 -1.064 2.083 1.00 0.00 H new ATOM 0 HA THR A 43 0.699 0.252 4.533 1.00 0.00 H new ATOM 0 HB THR A 43 1.454 1.938 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.734 2.460 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.044 1.918 0.628 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.976 0.491 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.241 0.337 0.776 1.00 0.00 H new ATOM 718 N THR A 44 -1.586 -0.679 4.183 1.00 0.00 N ATOM 719 CA THR A 44 -2.901 -1.367 4.040 1.00 0.00 C ATOM 720 C THR A 44 -4.014 -0.443 4.513 1.00 0.00 C ATOM 721 O THR A 44 -3.786 0.519 5.225 1.00 0.00 O ATOM 722 CB THR A 44 -2.911 -2.643 4.886 1.00 0.00 C ATOM 723 OG1 THR A 44 -3.194 -2.315 6.240 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.549 -3.325 4.799 1.00 0.00 C ATOM 0 H THR A 44 -1.451 -0.193 5.070 1.00 0.00 H new ATOM 0 HA THR A 44 -3.058 -1.624 2.992 1.00 0.00 H new ATOM 0 HB THR A 44 -3.679 -3.320 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.202 -3.133 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.558 -4.233 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.336 -3.580 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.779 -2.649 5.172 1.00 0.00 H new ATOM 732 N TYR A 45 -5.225 -0.737 4.128 1.00 0.00 N ATOM 733 CA TYR A 45 -6.375 0.104 4.555 1.00 0.00 C ATOM 734 C TYR A 45 -7.585 -0.812 4.809 1.00 0.00 C ATOM 735 O TYR A 45 -7.856 -1.685 4.013 1.00 0.00 O ATOM 736 CB TYR A 45 -6.717 1.104 3.441 1.00 0.00 C ATOM 737 CG TYR A 45 -7.487 2.267 4.031 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.859 3.120 4.946 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.822 2.492 3.669 1.00 0.00 C ATOM 740 CE1 TYR A 45 -7.562 4.196 5.499 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.525 3.568 4.224 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.894 4.421 5.137 1.00 0.00 C ATOM 743 OH TYR A 45 -9.587 5.484 5.682 1.00 0.00 O ATOM 0 H TYR A 45 -5.467 -1.529 3.532 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.122 0.650 5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.804 1.462 2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.310 0.616 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.830 2.947 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.308 1.836 2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.076 4.853 6.205 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.555 3.740 3.948 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.499 5.498 5.324 1.00 0.00 H new ATOM 753 N PRO A 46 -8.311 -0.620 5.895 1.00 0.00 N ATOM 754 CA PRO A 46 -9.514 -1.450 6.226 1.00 0.00 C ATOM 755 C PRO A 46 -10.407 -1.696 4.997 1.00 0.00 C ATOM 756 O PRO A 46 -11.448 -1.084 4.827 1.00 0.00 O ATOM 757 CB PRO A 46 -10.249 -0.615 7.286 1.00 0.00 C ATOM 758 CG PRO A 46 -9.181 0.194 7.956 1.00 0.00 C ATOM 759 CD PRO A 46 -8.064 0.400 6.925 1.00 0.00 C ATOM 0 HA PRO A 46 -9.242 -2.446 6.576 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.002 0.027 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.767 -1.254 8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.577 1.152 8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.802 -0.322 8.838 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.096 1.404 6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.080 0.275 7.377 1.00 0.00 H new ATOM 767 N GLU A 47 -9.994 -2.590 4.140 1.00 0.00 N ATOM 768 CA GLU A 47 -10.782 -2.893 2.914 1.00 0.00 C ATOM 769 C GLU A 47 -10.579 -4.356 2.530 1.00 0.00 C ATOM 770 O GLU A 47 -9.529 -4.928 2.762 1.00 0.00 O ATOM 771 CB GLU A 47 -10.309 -1.998 1.757 1.00 0.00 C ATOM 772 CG GLU A 47 -10.785 -0.557 1.970 1.00 0.00 C ATOM 773 CD GLU A 47 -12.315 -0.510 1.946 1.00 0.00 C ATOM 774 OE1 GLU A 47 -12.904 -1.421 1.392 1.00 0.00 O ATOM 775 OE2 GLU A 47 -12.868 0.436 2.481 1.00 0.00 O ATOM 0 H GLU A 47 -9.134 -3.129 4.240 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.838 -2.705 3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.221 -2.023 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.695 -2.380 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.415 -0.179 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.379 0.089 1.191 1.00 0.00 H new ATOM 782 N PHE A 48 -11.583 -4.963 1.947 1.00 0.00 N ATOM 783 CA PHE A 48 -11.473 -6.396 1.536 1.00 0.00 C ATOM 784 C PHE A 48 -11.854 -6.529 0.062 1.00 0.00 C ATOM 785 O PHE A 48 -12.967 -6.226 -0.335 1.00 0.00 O ATOM 786 CB PHE A 48 -12.418 -7.251 2.386 1.00 0.00 C ATOM 787 CG PHE A 48 -12.105 -7.058 3.853 1.00 0.00 C ATOM 788 CD1 PHE A 48 -11.015 -7.720 4.432 1.00 0.00 C ATOM 789 CD2 PHE A 48 -12.908 -6.218 4.635 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.731 -7.544 5.793 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.622 -6.041 5.995 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.533 -6.704 6.574 1.00 0.00 C ATOM 0 H PHE A 48 -12.479 -4.524 1.737 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.448 -6.738 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.453 -6.973 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.312 -8.302 2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.393 -8.366 3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.748 -5.706 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.892 -8.057 6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.242 -5.393 6.597 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.312 -6.567 7.622 1.00 0.00 H new ATOM 802 N TYR A 49 -10.936 -6.985 -0.751 1.00 0.00 N ATOM 803 CA TYR A 49 -11.226 -7.150 -2.207 1.00 0.00 C ATOM 804 C TYR A 49 -10.584 -8.437 -2.720 1.00 0.00 C ATOM 805 O TYR A 49 -9.413 -8.693 -2.502 1.00 0.00 O ATOM 806 CB TYR A 49 -10.664 -5.964 -2.992 1.00 0.00 C ATOM 807 CG TYR A 49 -11.507 -4.739 -2.727 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.840 -4.705 -3.155 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.960 -3.640 -2.054 1.00 0.00 C ATOM 810 CE1 TYR A 49 -13.625 -3.573 -2.910 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.747 -2.508 -1.810 1.00 0.00 C ATOM 812 CZ TYR A 49 -13.079 -2.476 -2.237 1.00 0.00 C ATOM 813 OH TYR A 49 -13.854 -1.361 -1.995 1.00 0.00 O ATOM 0 H TYR A 49 -9.993 -7.251 -0.467 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.306 -7.197 -2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.631 -5.778 -2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.658 -6.190 -4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.262 -5.553 -3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.932 -3.665 -1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.653 -3.547 -3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.326 -1.659 -1.292 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.323 -0.691 -1.517 1.00 0.00 H new ATOM 823 N ASP A 50 -11.341 -9.234 -3.422 1.00 0.00 N ATOM 824 CA ASP A 50 -10.796 -10.498 -3.990 1.00 0.00 C ATOM 825 C ASP A 50 -10.270 -10.214 -5.399 1.00 0.00 C ATOM 826 O ASP A 50 -9.399 -10.898 -5.908 1.00 0.00 O ATOM 827 CB ASP A 50 -11.917 -11.537 -4.064 1.00 0.00 C ATOM 828 CG ASP A 50 -12.283 -11.997 -2.653 1.00 0.00 C ATOM 829 OD1 ASP A 50 -11.556 -11.658 -1.735 1.00 0.00 O ATOM 830 OD2 ASP A 50 -13.284 -12.680 -2.514 1.00 0.00 O ATOM 0 H ASP A 50 -12.325 -9.061 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.990 -10.878 -3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.791 -11.110 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.598 -12.389 -4.664 1.00 0.00 H new ATOM 835 N LEU A 51 -10.805 -9.203 -6.032 1.00 0.00 N ATOM 836 CA LEU A 51 -10.365 -8.857 -7.411 1.00 0.00 C ATOM 837 C LEU A 51 -9.009 -8.151 -7.365 1.00 0.00 C ATOM 838 O LEU A 51 -8.720 -7.380 -6.467 1.00 0.00 O ATOM 839 CB LEU A 51 -11.402 -7.935 -8.061 1.00 0.00 C ATOM 840 CG LEU A 51 -12.775 -8.618 -8.053 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.816 -7.675 -8.666 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.718 -9.924 -8.866 1.00 0.00 C ATOM 0 H LEU A 51 -11.532 -8.600 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.271 -9.771 -7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.452 -6.989 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.106 -7.703 -9.084 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.054 -8.852 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.793 -8.159 -8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.863 -6.756 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.533 -7.438 -9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.697 -10.402 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.435 -9.700 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.981 -10.595 -8.425 1.00 0.00 H new ATOM 854 N GLU A 52 -8.177 -8.418 -8.335 1.00 0.00 N ATOM 855 CA GLU A 52 -6.834 -7.778 -8.374 1.00 0.00 C ATOM 856 C GLU A 52 -6.963 -6.302 -8.766 1.00 0.00 C ATOM 857 O GLU A 52 -6.289 -5.440 -8.228 1.00 0.00 O ATOM 858 CB GLU A 52 -5.970 -8.499 -9.407 1.00 0.00 C ATOM 859 CG GLU A 52 -4.565 -7.895 -9.409 1.00 0.00 C ATOM 860 CD GLU A 52 -3.670 -8.667 -10.382 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.065 -9.746 -10.793 1.00 0.00 O ATOM 862 OE2 GLU A 52 -2.606 -8.165 -10.700 1.00 0.00 O ATOM 0 H GLU A 52 -8.373 -9.056 -9.106 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.375 -7.844 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.919 -9.563 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.417 -8.409 -10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.611 -6.845 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.142 -7.931 -8.405 1.00 0.00 H new ATOM 869 N ALA A 53 -7.819 -6.007 -9.706 1.00 0.00 N ATOM 870 CA ALA A 53 -7.988 -4.593 -10.150 1.00 0.00 C ATOM 871 C ALA A 53 -8.420 -3.723 -8.964 1.00 0.00 C ATOM 872 O ALA A 53 -7.904 -2.639 -8.750 1.00 0.00 O ATOM 873 CB ALA A 53 -9.065 -4.535 -11.234 1.00 0.00 C ATOM 0 H ALA A 53 -8.410 -6.685 -10.187 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.042 -4.222 -10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.194 -3.504 -11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.763 -5.152 -12.081 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.007 -4.908 -10.831 1.00 0.00 H new ATOM 879 N ASP A 54 -9.359 -4.191 -8.192 1.00 0.00 N ATOM 880 CA ASP A 54 -9.829 -3.405 -7.016 1.00 0.00 C ATOM 881 C ASP A 54 -8.687 -3.248 -6.005 1.00 0.00 C ATOM 882 O ASP A 54 -8.479 -2.190 -5.439 1.00 0.00 O ATOM 883 CB ASP A 54 -10.990 -4.140 -6.349 1.00 0.00 C ATOM 884 CG ASP A 54 -12.240 -4.034 -7.222 1.00 0.00 C ATOM 885 OD1 ASP A 54 -12.237 -3.220 -8.130 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.180 -4.771 -6.968 1.00 0.00 O ATOM 0 H ASP A 54 -9.824 -5.089 -8.325 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.155 -2.420 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.730 -5.187 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.185 -3.713 -5.365 1.00 0.00 H new ATOM 891 N ALA A 55 -7.949 -4.300 -5.773 1.00 0.00 N ATOM 892 CA ALA A 55 -6.823 -4.225 -4.799 1.00 0.00 C ATOM 893 C ALA A 55 -5.743 -3.272 -5.325 1.00 0.00 C ATOM 894 O ALA A 55 -5.206 -2.455 -4.596 1.00 0.00 O ATOM 895 CB ALA A 55 -6.219 -5.619 -4.626 1.00 0.00 C ATOM 0 H ALA A 55 -8.078 -5.209 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.195 -3.857 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.394 -5.573 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.982 -6.302 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.850 -5.977 -5.587 1.00 0.00 H new ATOM 901 N GLU A 56 -5.427 -3.372 -6.587 1.00 0.00 N ATOM 902 CA GLU A 56 -4.387 -2.479 -7.175 1.00 0.00 C ATOM 903 C GLU A 56 -4.899 -1.037 -7.206 1.00 0.00 C ATOM 904 O GLU A 56 -4.196 -0.104 -6.856 1.00 0.00 O ATOM 905 CB GLU A 56 -4.083 -2.933 -8.604 1.00 0.00 C ATOM 906 CG GLU A 56 -3.364 -4.281 -8.575 1.00 0.00 C ATOM 907 CD GLU A 56 -3.105 -4.760 -10.007 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.481 -4.053 -10.927 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.534 -5.828 -10.158 1.00 0.00 O ATOM 0 H GLU A 56 -5.845 -4.036 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.483 -2.530 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.008 -3.016 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.464 -2.191 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.421 -4.189 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.967 -5.014 -8.040 1.00 0.00 H new ATOM 916 N ARG A 57 -6.119 -0.850 -7.626 1.00 0.00 N ATOM 917 CA ARG A 57 -6.690 0.526 -7.689 1.00 0.00 C ATOM 918 C ARG A 57 -6.778 1.115 -6.276 1.00 0.00 C ATOM 919 O ARG A 57 -6.412 2.253 -6.033 1.00 0.00 O ATOM 920 CB ARG A 57 -8.096 0.449 -8.295 1.00 0.00 C ATOM 921 CG ARG A 57 -8.667 1.861 -8.460 1.00 0.00 C ATOM 922 CD ARG A 57 -10.086 1.784 -9.028 1.00 0.00 C ATOM 923 NE ARG A 57 -10.043 1.229 -10.411 1.00 0.00 N ATOM 924 CZ ARG A 57 -9.759 2.001 -11.429 1.00 0.00 C ATOM 925 NH1 ARG A 57 -9.505 3.270 -11.248 1.00 0.00 N ATOM 926 NH2 ARG A 57 -9.729 1.499 -12.631 1.00 0.00 N ATOM 0 H ARG A 57 -6.748 -1.593 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.051 1.162 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.059 -0.053 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.747 -0.144 -7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.678 2.373 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.031 2.445 -9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.709 1.155 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.539 2.775 -9.037 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.237 0.239 -10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.527 3.666 -10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.284 3.865 -12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.926 0.509 -12.775 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.508 2.096 -13.428 1.00 0.00 H new ATOM 940 N VAL A 58 -7.261 0.342 -5.348 1.00 0.00 N ATOM 941 CA VAL A 58 -7.382 0.826 -3.942 1.00 0.00 C ATOM 942 C VAL A 58 -5.988 1.014 -3.337 1.00 0.00 C ATOM 943 O VAL A 58 -5.721 1.976 -2.641 1.00 0.00 O ATOM 944 CB VAL A 58 -8.168 -0.198 -3.123 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.143 0.193 -1.641 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.619 -0.243 -3.615 1.00 0.00 C ATOM 0 H VAL A 58 -7.581 -0.614 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.906 1.782 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.711 -1.180 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.705 -0.540 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.112 0.220 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.595 1.177 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.179 -0.973 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.074 0.741 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.638 -0.529 -4.667 1.00 0.00 H new ATOM 956 N SER A 59 -5.102 0.090 -3.590 1.00 0.00 N ATOM 957 CA SER A 59 -3.728 0.196 -3.024 1.00 0.00 C ATOM 958 C SER A 59 -3.109 1.542 -3.410 1.00 0.00 C ATOM 959 O SER A 59 -2.465 2.194 -2.606 1.00 0.00 O ATOM 960 CB SER A 59 -2.870 -0.945 -3.580 1.00 0.00 C ATOM 961 OG SER A 59 -2.840 -0.855 -4.999 1.00 0.00 O ATOM 0 H SER A 59 -5.271 -0.735 -4.165 1.00 0.00 H new ATOM 0 HA SER A 59 -3.774 0.127 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.859 -0.885 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.279 -1.907 -3.273 1.00 0.00 H new ATOM 0 HG SER A 59 -3.614 -0.341 -5.311 1.00 0.00 H new ATOM 967 N ILE A 60 -3.298 1.967 -4.627 1.00 0.00 N ATOM 968 CA ILE A 60 -2.731 3.279 -5.053 1.00 0.00 C ATOM 969 C ILE A 60 -3.415 4.411 -4.271 1.00 0.00 C ATOM 970 O ILE A 60 -2.775 5.329 -3.785 1.00 0.00 O ATOM 971 CB ILE A 60 -2.978 3.470 -6.552 1.00 0.00 C ATOM 972 CG1 ILE A 60 -2.153 2.449 -7.342 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.570 4.887 -6.967 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.600 2.444 -8.806 1.00 0.00 C ATOM 0 H ILE A 60 -3.820 1.465 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.660 3.299 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.037 3.323 -6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.093 2.695 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.277 1.456 -6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.747 5.019 -8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.160 5.614 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.512 5.038 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.011 1.716 -9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.655 2.177 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.453 3.435 -9.235 1.00 0.00 H new ATOM 986 N ALA A 61 -4.715 4.349 -4.151 1.00 0.00 N ATOM 987 CA ALA A 61 -5.453 5.410 -3.405 1.00 0.00 C ATOM 988 C ALA A 61 -5.068 5.361 -1.925 1.00 0.00 C ATOM 989 O ALA A 61 -4.878 6.378 -1.279 1.00 0.00 O ATOM 990 CB ALA A 61 -6.957 5.167 -3.548 1.00 0.00 C ATOM 0 H ALA A 61 -5.299 3.608 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.196 6.389 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.503 5.938 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.232 5.201 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.208 4.189 -3.138 1.00 0.00 H new ATOM 996 N CYS A 62 -4.951 4.181 -1.382 1.00 0.00 N ATOM 997 CA CYS A 62 -4.576 4.049 0.053 1.00 0.00 C ATOM 998 C CYS A 62 -3.138 4.527 0.256 1.00 0.00 C ATOM 999 O CYS A 62 -2.840 5.285 1.162 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.679 2.581 0.471 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.403 2.041 0.378 1.00 0.00 S ATOM 0 H CYS A 62 -5.100 3.299 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.250 4.655 0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.059 1.963 -0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.302 2.454 1.486 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.129 2.766 1.176 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.246 4.097 -0.592 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.823 4.514 -0.458 1.00 0.00 C ATOM 1009 C ALA A 63 -0.749 6.034 -0.298 1.00 0.00 C ATOM 1010 O ALA A 63 -0.013 6.550 0.526 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.061 4.105 -1.720 1.00 0.00 C ATOM 0 H ALA A 63 -2.442 3.473 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.382 4.033 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.982 4.407 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.116 3.023 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.506 4.593 -2.588 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.508 6.754 -1.075 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.493 8.239 -0.966 1.00 0.00 C ATOM 1019 C LYS A 64 -2.005 8.658 0.418 1.00 0.00 C ATOM 1020 O LYS A 64 -1.463 9.547 1.053 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.403 8.833 -2.042 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.799 8.576 -3.425 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.713 9.162 -4.505 1.00 0.00 C ATOM 1024 CE LYS A 64 -2.099 8.907 -5.884 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.995 9.459 -6.941 1.00 0.00 N ATOM 0 H LYS A 64 -2.139 6.378 -1.782 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.475 8.603 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.396 8.388 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.523 9.904 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.809 9.027 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.673 7.505 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.702 8.708 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.843 10.232 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.116 9.373 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.955 7.837 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.576 9.285 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.924 8.995 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.110 10.483 -6.799 1.00 0.00 H new ATOM 1039 N ILE A 65 -3.048 8.028 0.885 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.602 8.384 2.225 1.00 0.00 C ATOM 1041 C ILE A 65 -2.583 8.043 3.322 1.00 0.00 C ATOM 1042 O ILE A 65 -2.347 8.816 4.233 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.886 7.581 2.465 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.973 8.054 1.493 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.366 7.783 3.906 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -7.160 7.084 1.524 1.00 0.00 C ATOM 0 H ILE A 65 -3.542 7.281 0.397 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.816 9.452 2.254 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.683 6.523 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.304 9.056 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.568 8.115 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.279 7.210 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.595 7.443 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.566 8.841 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.928 7.427 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.825 6.089 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.572 7.046 2.532 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.985 6.888 3.237 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.987 6.474 4.266 1.00 0.00 C ATOM 1060 C ILE A 66 0.240 7.393 4.182 1.00 0.00 C ATOM 1061 O ILE A 66 0.755 7.855 5.184 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.590 5.002 4.017 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.669 4.050 4.579 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.760 4.690 4.682 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.846 3.946 3.605 1.00 0.00 C ATOM 0 H ILE A 66 -2.145 6.207 2.494 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.414 6.559 5.265 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.503 4.852 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.240 3.062 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.019 4.415 5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.025 3.649 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.530 5.340 4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.684 4.860 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.598 3.272 4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.285 4.933 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.494 3.559 2.649 1.00 0.00 H new ATOM 1077 N ILE A 67 0.709 7.662 2.999 1.00 0.00 N ATOM 1078 CA ILE A 67 1.893 8.555 2.856 1.00 0.00 C ATOM 1079 C ILE A 67 1.532 9.964 3.343 1.00 0.00 C ATOM 1080 O ILE A 67 2.286 10.605 4.053 1.00 0.00 O ATOM 1081 CB ILE A 67 2.307 8.602 1.382 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.871 7.239 0.969 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.369 9.684 1.172 1.00 0.00 C ATOM 1084 CD1 ILE A 67 2.990 7.168 -0.555 1.00 0.00 C ATOM 0 H ILE A 67 0.326 7.304 2.124 1.00 0.00 H new ATOM 0 HA ILE A 67 2.721 8.174 3.454 1.00 0.00 H new ATOM 0 HB ILE A 67 1.436 8.837 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.848 7.086 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.221 6.442 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.658 9.711 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.963 10.653 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.243 9.459 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.392 6.197 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.006 7.301 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.658 7.955 -0.905 1.00 0.00 H new ATOM 1096 N ASP A 68 0.382 10.447 2.958 1.00 0.00 N ATOM 1097 CA ASP A 68 -0.050 11.810 3.386 1.00 0.00 C ATOM 1098 C ASP A 68 -0.279 11.833 4.901 1.00 0.00 C ATOM 1099 O ASP A 68 0.124 12.752 5.593 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.352 12.167 2.666 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.804 13.570 3.078 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -1.196 14.129 3.975 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.750 14.061 2.485 1.00 0.00 O ATOM 0 H ASP A 68 -0.282 9.953 2.361 1.00 0.00 H new ATOM 0 HA ASP A 68 0.725 12.534 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.205 12.125 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.125 11.439 2.911 1.00 0.00 H new ATOM 1108 N SER A 69 -0.931 10.828 5.419 1.00 0.00 N ATOM 1109 CA SER A 69 -1.195 10.773 6.886 1.00 0.00 C ATOM 1110 C SER A 69 0.123 10.630 7.653 1.00 0.00 C ATOM 1111 O SER A 69 0.322 11.233 8.694 1.00 0.00 O ATOM 1112 CB SER A 69 -2.100 9.582 7.197 1.00 0.00 C ATOM 1113 OG SER A 69 -2.367 9.548 8.594 1.00 0.00 O ATOM 0 H SER A 69 -1.294 10.038 4.886 1.00 0.00 H new ATOM 0 HA SER A 69 -1.686 11.696 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.033 9.663 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.621 8.655 6.884 1.00 0.00 H new ATOM 0 HG SER A 69 -2.949 8.786 8.797 1.00 0.00 H new ATOM 1119 N HIS A 70 1.025 9.830 7.150 1.00 0.00 N ATOM 1120 CA HIS A 70 2.329 9.641 7.848 1.00 0.00 C ATOM 1121 C HIS A 70 3.045 10.988 7.976 1.00 0.00 C ATOM 1122 O HIS A 70 3.621 11.308 8.999 1.00 0.00 O ATOM 1123 CB HIS A 70 3.207 8.682 7.040 1.00 0.00 C ATOM 1124 CG HIS A 70 4.514 8.478 7.757 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.627 7.647 8.861 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.769 8.995 7.548 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.907 7.689 9.271 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.647 8.496 8.505 1.00 0.00 N ATOM 0 H HIS A 70 0.915 9.299 6.286 1.00 0.00 H new ATOM 0 HA HIS A 70 2.148 9.228 8.840 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.698 7.727 6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.385 9.086 6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.034 9.684 6.760 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.290 7.137 10.117 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.641 8.702 8.601 1.00 0.00 H new ATOM 1136 N LEU A 71 3.015 11.776 6.937 1.00 0.00 N ATOM 1137 CA LEU A 71 3.689 13.106 6.980 1.00 0.00 C ATOM 1138 C LEU A 71 3.037 13.984 8.047 1.00 0.00 C ATOM 1139 O LEU A 71 3.702 14.670 8.803 1.00 0.00 O ATOM 1140 CB LEU A 71 3.539 13.786 5.618 1.00 0.00 C ATOM 1141 CG LEU A 71 4.374 13.046 4.564 1.00 0.00 C ATOM 1142 CD1 LEU A 71 3.968 13.526 3.165 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.876 13.309 4.784 1.00 0.00 C ATOM 0 H LEU A 71 2.551 11.556 6.056 1.00 0.00 H new ATOM 0 HA LEU A 71 4.744 12.968 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.490 13.796 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.861 14.825 5.684 1.00 0.00 H new ATOM 0 HG LEU A 71 4.190 11.976 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.560 13.002 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.910 13.319 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.145 14.598 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.453 12.777 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.074 14.378 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.165 12.959 5.775 1.00 0.00 H new ATOM 1155 N ASP A 72 1.737 13.971 8.110 1.00 0.00 N ATOM 1156 CA ASP A 72 1.029 14.801 9.120 1.00 0.00 C ATOM 1157 C ASP A 72 0.971 14.049 10.453 1.00 0.00 C ATOM 1158 O ASP A 72 0.772 14.634 11.503 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.392 15.083 8.627 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.343 16.042 7.435 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.728 16.551 7.153 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.378 16.251 6.824 1.00 0.00 O ATOM 0 H ASP A 72 1.132 13.419 7.503 1.00 0.00 H new ATOM 0 HA ASP A 72 1.562 15.741 9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.878 14.152 8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.987 15.517 9.431 1.00 0.00 H new ATOM 1237 N GLY A 77 4.681 4.086 11.163 1.00 0.00 N ATOM 1238 CA GLY A 77 4.376 3.407 9.871 1.00 0.00 C ATOM 1239 C GLY A 77 5.591 3.503 8.942 1.00 0.00 C ATOM 1240 O GLY A 77 6.314 2.542 8.747 1.00 0.00 O ATOM 0 HA2 GLY A 77 4.123 2.362 10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.508 3.870 9.401 1.00 0.00 H new ATOM 1244 N LEU A 78 5.826 4.662 8.372 1.00 0.00 N ATOM 1245 CA LEU A 78 6.999 4.844 7.457 1.00 0.00 C ATOM 1246 C LEU A 78 8.120 5.595 8.195 1.00 0.00 C ATOM 1247 O LEU A 78 9.038 6.118 7.587 1.00 0.00 O ATOM 1248 CB LEU A 78 6.565 5.655 6.232 1.00 0.00 C ATOM 1249 CG LEU A 78 5.326 5.016 5.591 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.871 5.868 4.401 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.663 3.598 5.105 1.00 0.00 C ATOM 0 H LEU A 78 5.252 5.495 8.502 1.00 0.00 H new ATOM 0 HA LEU A 78 7.366 3.868 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.344 6.682 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.378 5.698 5.507 1.00 0.00 H new ATOM 0 HG LEU A 78 4.527 4.962 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.991 5.415 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.625 6.872 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.673 5.923 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.779 3.149 4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.465 3.647 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.984 2.990 5.951 1.00 0.00 H new ATOM 1263 N ALA A 79 8.055 5.642 9.499 1.00 0.00 N ATOM 1264 CA ALA A 79 9.116 6.348 10.278 1.00 0.00 C ATOM 1265 C ALA A 79 10.461 5.654 10.047 1.00 0.00 C ATOM 1266 O ALA A 79 11.515 6.262 10.115 1.00 0.00 O ATOM 1267 CB ALA A 79 8.767 6.294 11.767 1.00 0.00 C ATOM 0 H ALA A 79 7.313 5.222 10.059 1.00 0.00 H new ATOM 0 HA ALA A 79 9.181 7.386 9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.538 6.808 12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.806 6.781 11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.707 5.254 12.089 1.00 0.00 H new ATOM 1273 N ASP A 80 10.425 4.382 9.769 1.00 0.00 N ATOM 1274 CA ASP A 80 11.683 3.623 9.521 1.00 0.00 C ATOM 1275 C ASP A 80 12.369 4.166 8.263 1.00 0.00 C ATOM 1276 O ASP A 80 13.582 4.175 8.151 1.00 0.00 O ATOM 1277 CB ASP A 80 11.344 2.146 9.316 1.00 0.00 C ATOM 1278 CG ASP A 80 12.631 1.344 9.115 1.00 0.00 C ATOM 1279 OD1 ASP A 80 13.683 1.955 9.041 1.00 0.00 O ATOM 1280 OD2 ASP A 80 12.539 0.130 9.037 1.00 0.00 O ATOM 0 H ASP A 80 9.570 3.830 9.702 1.00 0.00 H new ATOM 0 HA ASP A 80 12.352 3.733 10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.798 1.765 10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.693 2.029 8.450 1.00 0.00 H new ATOM 1285 N LEU A 81 11.595 4.611 7.310 1.00 0.00 N ATOM 1286 CA LEU A 81 12.182 5.147 6.048 1.00 0.00 C ATOM 1287 C LEU A 81 12.669 6.584 6.271 1.00 0.00 C ATOM 1288 O LEU A 81 13.254 7.194 5.394 1.00 0.00 O ATOM 1289 CB LEU A 81 11.110 5.138 4.954 1.00 0.00 C ATOM 1290 CG LEU A 81 10.535 3.725 4.796 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.448 3.735 3.715 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.651 2.745 4.399 1.00 0.00 C ATOM 0 H LEU A 81 10.576 4.626 7.352 1.00 0.00 H new ATOM 0 HA LEU A 81 13.025 4.526 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.314 5.838 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.539 5.473 4.010 1.00 0.00 H new ATOM 0 HG LEU A 81 10.103 3.405 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.038 2.731 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.652 4.421 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.879 4.060 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.234 1.744 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.093 3.060 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.419 2.735 5.173 1.00 0.00 H new ATOM 1304 N GLY A 82 12.440 7.129 7.435 1.00 0.00 N ATOM 1305 CA GLY A 82 12.895 8.523 7.703 1.00 0.00 C ATOM 1306 C GLY A 82 12.426 8.962 9.093 1.00 0.00 C ATOM 1307 O GLY A 82 11.239 9.183 9.253 1.00 0.00 O ATOM 1308 OXT GLY A 82 13.264 9.065 9.974 1.00 0.00 O ATOM 0 H GLY A 82 11.959 6.671 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.982 8.579 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.497 9.198 6.945 1.00 0.00 H new