USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=15 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 Single : A 5 HIS : no HD1:sc= -0.603 K(o=-0.6,f=-0.062) USER MOD Single : A 6 TYR OH : rot 165:sc= 0.971 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -8.99! C(o=-9!,f=-21!) USER MOD Single : A 16 GLN : amide:sc=-0.00638 K(o=-0.0064,f=-1.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.0751 (180deg=-0.536) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 150:sc= -0.504 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 24:sc= 0.285 USER MOD Single : A 43 THR OG1 : rot -120:sc= -0.312 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0077 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 90:sc= -1.38 USER MOD Single : A 62 CYS SG : rot -103:sc= -2.04! USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= -1.88 (180deg=-3.39!) USER MOD Single : A 69 SER OG : rot -21:sc= -0.624 USER MOD Single : A 70 HIS : no HD1:sc= -4.09! K(o=-4.1!,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 6.395 1.273 -10.950 1.00 0.00 N ATOM 35 CA VAL A 3 6.171 2.004 -9.667 1.00 0.00 C ATOM 36 C VAL A 3 5.763 3.445 -9.942 1.00 0.00 C ATOM 37 O VAL A 3 6.063 4.006 -10.975 1.00 0.00 O ATOM 38 CB VAL A 3 7.457 1.988 -8.831 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.844 0.541 -8.524 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.598 2.669 -9.598 1.00 0.00 C ATOM 0 HA VAL A 3 5.371 1.508 -9.118 1.00 0.00 H new ATOM 0 HB VAL A 3 7.283 2.530 -7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.758 0.527 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.041 0.060 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.010 0.003 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.505 2.651 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.775 2.138 -10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.326 3.702 -9.813 1.00 0.00 H new ATOM 50 N ALA A 4 5.069 4.039 -9.009 1.00 0.00 N ATOM 51 CA ALA A 4 4.601 5.452 -9.167 1.00 0.00 C ATOM 52 C ALA A 4 5.184 6.321 -8.057 1.00 0.00 C ATOM 53 O ALA A 4 5.193 5.960 -6.898 1.00 0.00 O ATOM 54 CB ALA A 4 3.075 5.483 -9.095 1.00 0.00 C ATOM 0 H ALA A 4 4.801 3.600 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 4 4.933 5.839 -10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.726 6.509 -9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.660 4.868 -9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.748 5.094 -8.131 1.00 0.00 H new ATOM 60 N HIS A 5 5.668 7.473 -8.424 1.00 0.00 N ATOM 61 CA HIS A 5 6.266 8.410 -7.429 1.00 0.00 C ATOM 62 C HIS A 5 5.184 9.311 -6.844 1.00 0.00 C ATOM 63 O HIS A 5 4.333 9.824 -7.543 1.00 0.00 O ATOM 64 CB HIS A 5 7.331 9.271 -8.118 1.00 0.00 C ATOM 65 CG HIS A 5 8.458 8.394 -8.597 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.493 8.881 -9.381 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.725 7.061 -8.408 1.00 0.00 C ATOM 68 CE1 HIS A 5 10.327 7.854 -9.633 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.906 6.723 -9.064 1.00 0.00 N ATOM 0 H HIS A 5 5.676 7.812 -9.386 1.00 0.00 H new ATOM 0 HA HIS A 5 6.723 7.834 -6.624 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.891 9.807 -8.959 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.710 10.022 -7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.113 6.378 -7.838 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.227 7.936 -10.224 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.353 5.807 -9.101 1.00 0.00 H new ATOM 77 N TYR A 6 5.225 9.506 -5.556 1.00 0.00 N ATOM 78 CA TYR A 6 4.219 10.374 -4.880 1.00 0.00 C ATOM 79 C TYR A 6 4.852 11.031 -3.651 1.00 0.00 C ATOM 80 O TYR A 6 5.385 10.375 -2.779 1.00 0.00 O ATOM 81 CB TYR A 6 3.016 9.531 -4.455 1.00 0.00 C ATOM 82 CG TYR A 6 1.955 10.437 -3.869 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.193 11.254 -4.713 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.734 10.462 -2.487 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.212 12.096 -4.176 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.752 11.302 -1.949 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.009 12.119 -2.793 1.00 0.00 C ATOM 88 OH TYR A 6 -0.976 12.949 -2.263 1.00 0.00 O ATOM 0 H TYR A 6 5.922 9.096 -4.934 1.00 0.00 H new ATOM 0 HA TYR A 6 3.887 11.149 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.616 8.989 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.321 8.785 -3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.362 11.235 -5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.322 9.833 -1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.374 12.727 -4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.582 11.320 -0.883 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.167 12.681 -1.340 1.00 0.00 H new ATOM 98 N ARG A 7 4.789 12.330 -3.595 1.00 0.00 N ATOM 99 CA ARG A 7 5.376 13.087 -2.453 1.00 0.00 C ATOM 100 C ARG A 7 6.840 12.703 -2.275 1.00 0.00 C ATOM 101 O ARG A 7 7.400 12.822 -1.204 1.00 0.00 O ATOM 102 CB ARG A 7 4.589 12.789 -1.172 1.00 0.00 C ATOM 103 CG ARG A 7 3.165 13.361 -1.279 1.00 0.00 C ATOM 104 CD ARG A 7 3.174 14.848 -0.894 1.00 0.00 C ATOM 105 NE ARG A 7 1.782 15.380 -0.925 1.00 0.00 N ATOM 106 CZ ARG A 7 1.014 15.300 0.130 1.00 0.00 C ATOM 107 NH1 ARG A 7 1.453 14.748 1.232 1.00 0.00 N ATOM 108 NH2 ARG A 7 -0.198 15.777 0.084 1.00 0.00 N ATOM 0 H ARG A 7 4.347 12.912 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 7 5.316 14.155 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.545 11.713 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.100 13.224 -0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.790 13.241 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.491 12.810 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.600 14.974 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.804 15.409 -1.584 1.00 0.00 H new ATOM 0 HE ARG A 7 1.425 15.811 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.402 14.376 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.847 14.690 2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.543 16.210 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.801 15.717 0.904 1.00 0.00 H new ATOM 122 N GLY A 8 7.462 12.266 -3.333 1.00 0.00 N ATOM 123 CA GLY A 8 8.904 11.883 -3.271 1.00 0.00 C ATOM 124 C GLY A 8 9.017 10.428 -2.833 1.00 0.00 C ATOM 125 O GLY A 8 10.100 9.911 -2.651 1.00 0.00 O ATOM 0 H GLY A 8 7.030 12.156 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.371 12.019 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.434 12.528 -2.571 1.00 0.00 H new ATOM 129 N TYR A 9 7.904 9.768 -2.667 1.00 0.00 N ATOM 130 CA TYR A 9 7.916 8.335 -2.234 1.00 0.00 C ATOM 131 C TYR A 9 7.526 7.427 -3.397 1.00 0.00 C ATOM 132 O TYR A 9 6.653 7.732 -4.183 1.00 0.00 O ATOM 133 CB TYR A 9 6.923 8.139 -1.089 1.00 0.00 C ATOM 134 CG TYR A 9 7.417 8.852 0.148 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.131 10.209 0.340 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.155 8.150 1.108 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.583 10.863 1.492 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.606 8.804 2.260 1.00 0.00 C ATOM 139 CZ TYR A 9 8.321 10.161 2.452 1.00 0.00 C ATOM 140 OH TYR A 9 8.763 10.804 3.589 1.00 0.00 O ATOM 0 H TYR A 9 6.975 10.162 -2.814 1.00 0.00 H new ATOM 0 HA TYR A 9 8.922 8.077 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.944 8.524 -1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.799 7.076 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.562 10.751 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.376 7.103 0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.362 11.910 1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.174 8.262 3.001 1.00 0.00 H new ATOM 0 HH TYR A 9 9.258 10.172 4.151 1.00 0.00 H new ATOM 150 N GLU A 10 8.178 6.302 -3.490 1.00 0.00 N ATOM 151 CA GLU A 10 7.884 5.332 -4.581 1.00 0.00 C ATOM 152 C GLU A 10 6.729 4.438 -4.158 1.00 0.00 C ATOM 153 O GLU A 10 6.585 4.094 -3.002 1.00 0.00 O ATOM 154 CB GLU A 10 9.125 4.474 -4.848 1.00 0.00 C ATOM 155 CG GLU A 10 10.223 5.349 -5.461 1.00 0.00 C ATOM 156 CD GLU A 10 11.499 4.525 -5.646 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.480 3.350 -5.313 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.477 5.083 -6.115 1.00 0.00 O ATOM 0 H GLU A 10 8.913 6.010 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 10 7.615 5.871 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.478 4.025 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.877 3.655 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.892 5.744 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.422 6.204 -4.815 1.00 0.00 H new ATOM 165 N ILE A 11 5.902 4.066 -5.097 1.00 0.00 N ATOM 166 CA ILE A 11 4.726 3.195 -4.787 1.00 0.00 C ATOM 167 C ILE A 11 4.764 1.942 -5.650 1.00 0.00 C ATOM 168 O ILE A 11 4.898 2.001 -6.856 1.00 0.00 O ATOM 169 CB ILE A 11 3.438 3.968 -5.064 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.361 5.177 -4.123 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.242 3.049 -4.817 1.00 0.00 C ATOM 172 CD1 ILE A 11 2.196 6.082 -4.538 1.00 0.00 C ATOM 0 H ILE A 11 5.990 4.330 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 11 4.761 2.904 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 11 3.427 4.313 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.225 4.842 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.297 5.735 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.318 3.594 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.302 2.187 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.251 2.710 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.145 6.940 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.351 6.429 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.263 5.522 -4.483 1.00 0.00 H new ATOM 184 N GLU A 12 4.632 0.805 -5.022 1.00 0.00 N ATOM 185 CA GLU A 12 4.641 -0.492 -5.760 1.00 0.00 C ATOM 186 C GLU A 12 3.417 -1.318 -5.327 1.00 0.00 C ATOM 187 O GLU A 12 3.444 -1.976 -4.307 1.00 0.00 O ATOM 188 CB GLU A 12 5.916 -1.261 -5.443 1.00 0.00 C ATOM 189 CG GLU A 12 6.037 -2.444 -6.411 1.00 0.00 C ATOM 190 CD GLU A 12 7.064 -3.445 -5.886 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.926 -3.038 -5.125 1.00 0.00 O ATOM 192 OE2 GLU A 12 6.970 -4.604 -6.254 1.00 0.00 O ATOM 0 H GLU A 12 4.516 0.718 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 12 4.602 -0.304 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.783 -0.607 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.895 -1.617 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.069 -2.931 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.335 -2.088 -7.397 1.00 0.00 H new ATOM 199 N PRO A 13 2.344 -1.265 -6.086 1.00 0.00 N ATOM 200 CA PRO A 13 1.084 -1.997 -5.763 1.00 0.00 C ATOM 201 C PRO A 13 1.156 -3.488 -6.089 1.00 0.00 C ATOM 202 O PRO A 13 1.968 -3.928 -6.878 1.00 0.00 O ATOM 203 CB PRO A 13 0.036 -1.286 -6.629 1.00 0.00 C ATOM 204 CG PRO A 13 0.793 -0.797 -7.821 1.00 0.00 C ATOM 205 CD PRO A 13 2.214 -0.507 -7.344 1.00 0.00 C ATOM 0 HA PRO A 13 0.861 -1.973 -4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.764 -1.967 -6.920 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.429 -0.461 -6.090 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.795 -1.546 -8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.331 0.101 -8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.952 -0.828 -8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.368 0.560 -7.182 1.00 0.00 H new ATOM 213 N GLY A 14 0.298 -4.257 -5.483 1.00 0.00 N ATOM 214 CA GLY A 14 0.284 -5.725 -5.737 1.00 0.00 C ATOM 215 C GLY A 14 -0.700 -6.403 -4.781 1.00 0.00 C ATOM 216 O GLY A 14 -0.637 -6.241 -3.579 1.00 0.00 O ATOM 0 H GLY A 14 -0.401 -3.930 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.002 -5.923 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.283 -6.138 -5.599 1.00 0.00 H new ATOM 220 N HIS A 15 -1.606 -7.168 -5.321 1.00 0.00 N ATOM 221 CA HIS A 15 -2.612 -7.879 -4.481 1.00 0.00 C ATOM 222 C HIS A 15 -1.925 -8.953 -3.641 1.00 0.00 C ATOM 223 O HIS A 15 -1.046 -9.658 -4.093 1.00 0.00 O ATOM 224 CB HIS A 15 -3.681 -8.524 -5.390 1.00 0.00 C ATOM 225 CG HIS A 15 -4.347 -9.673 -4.677 1.00 0.00 C ATOM 226 ND1 HIS A 15 -4.621 -9.633 -3.321 1.00 0.00 N ATOM 227 CD2 HIS A 15 -4.771 -10.902 -5.112 1.00 0.00 C ATOM 228 CE1 HIS A 15 -5.185 -10.806 -2.988 1.00 0.00 C ATOM 229 NE2 HIS A 15 -5.300 -11.618 -4.043 1.00 0.00 N ATOM 0 H HIS A 15 -1.694 -7.334 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.092 -7.164 -3.813 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.426 -7.780 -5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.219 -8.877 -6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.705 -11.260 -6.129 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.506 -11.062 -1.989 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.691 -12.560 -4.061 1.00 0.00 H new ATOM 237 N GLN A 16 -2.362 -9.089 -2.423 1.00 0.00 N ATOM 238 CA GLN A 16 -1.787 -10.122 -1.525 1.00 0.00 C ATOM 239 C GLN A 16 -2.699 -10.320 -0.315 1.00 0.00 C ATOM 240 O GLN A 16 -3.398 -9.422 0.115 1.00 0.00 O ATOM 241 CB GLN A 16 -0.402 -9.685 -1.061 1.00 0.00 C ATOM 242 CG GLN A 16 0.212 -10.788 -0.198 1.00 0.00 C ATOM 243 CD GLN A 16 1.665 -10.441 0.128 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.261 -9.602 -0.519 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.263 -11.054 1.110 1.00 0.00 N ATOM 0 H GLN A 16 -3.101 -8.522 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.703 -11.064 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.236 -9.483 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.472 -8.758 -0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.360 -10.903 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.165 -11.742 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.762 -11.758 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.232 -10.830 1.336 1.00 0.00 H new ATOM 254 N TYR A 17 -2.690 -11.505 0.229 1.00 0.00 N ATOM 255 CA TYR A 17 -3.547 -11.817 1.412 1.00 0.00 C ATOM 256 C TYR A 17 -2.699 -11.816 2.678 1.00 0.00 C ATOM 257 O TYR A 17 -1.593 -12.318 2.708 1.00 0.00 O ATOM 258 CB TYR A 17 -4.196 -13.191 1.220 1.00 0.00 C ATOM 259 CG TYR A 17 -3.151 -14.282 1.293 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.475 -14.685 0.137 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.866 -14.895 2.520 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.512 -15.700 0.205 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.904 -15.910 2.589 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.226 -16.313 1.432 1.00 0.00 C ATOM 265 OH TYR A 17 -0.279 -17.314 1.499 1.00 0.00 O ATOM 0 H TYR A 17 -2.118 -12.283 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.325 -11.060 1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.954 -13.353 1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.704 -13.229 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.696 -14.213 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.388 -14.585 3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.990 -16.010 -0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.685 -16.382 3.535 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.202 -17.630 2.423 1.00 0.00 H new ATOM 275 N ARG A 18 -3.226 -11.240 3.720 1.00 0.00 N ATOM 276 CA ARG A 18 -2.485 -11.164 5.016 1.00 0.00 C ATOM 277 C ARG A 18 -2.944 -12.287 5.944 1.00 0.00 C ATOM 278 O ARG A 18 -4.117 -12.566 6.081 1.00 0.00 O ATOM 279 CB ARG A 18 -2.750 -9.806 5.670 1.00 0.00 C ATOM 280 CG ARG A 18 -2.110 -8.700 4.826 1.00 0.00 C ATOM 281 CD ARG A 18 -2.419 -7.332 5.440 1.00 0.00 C ATOM 282 NE ARG A 18 -1.807 -7.244 6.802 1.00 0.00 N ATOM 283 CZ ARG A 18 -0.554 -6.888 6.953 1.00 0.00 C ATOM 284 NH1 ARG A 18 0.194 -6.612 5.917 1.00 0.00 N ATOM 285 NH2 ARG A 18 -0.052 -6.807 8.154 1.00 0.00 N ATOM 0 H ARG A 18 -4.152 -10.812 3.733 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.417 -11.276 4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.823 -9.636 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.341 -9.791 6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.032 -8.849 4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.489 -8.744 3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.028 -6.539 4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.497 -7.186 5.505 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.371 -7.464 7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.195 -6.672 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.167 -6.336 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.633 -7.020 8.965 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.922 -6.531 8.282 1.00 0.00 H new ATOM 299 N ASP A 19 -2.004 -12.929 6.578 1.00 0.00 N ATOM 300 CA ASP A 19 -2.330 -14.047 7.508 1.00 0.00 C ATOM 301 C ASP A 19 -2.970 -13.483 8.776 1.00 0.00 C ATOM 302 O ASP A 19 -3.606 -14.193 9.530 1.00 0.00 O ATOM 303 CB ASP A 19 -1.037 -14.791 7.875 1.00 0.00 C ATOM 304 CG ASP A 19 -0.018 -13.820 8.483 1.00 0.00 C ATOM 305 OD1 ASP A 19 -0.296 -12.633 8.509 1.00 0.00 O ATOM 306 OD2 ASP A 19 1.027 -14.285 8.911 1.00 0.00 O ATOM 0 H ASP A 19 -1.009 -12.724 6.490 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.025 -14.735 7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.257 -15.589 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.616 -15.262 6.987 1.00 0.00 H new ATOM 311 N ASP A 20 -2.800 -12.211 9.012 1.00 0.00 N ATOM 312 CA ASP A 20 -3.387 -11.575 10.228 1.00 0.00 C ATOM 313 C ASP A 20 -4.910 -11.649 10.155 1.00 0.00 C ATOM 314 O ASP A 20 -5.571 -11.937 11.129 1.00 0.00 O ATOM 315 CB ASP A 20 -2.956 -10.105 10.295 1.00 0.00 C ATOM 316 CG ASP A 20 -1.477 -10.014 10.681 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.939 -11.014 11.126 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.909 -8.946 10.524 1.00 0.00 O ATOM 0 H ASP A 20 -2.274 -11.578 8.409 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.036 -12.100 11.116 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.120 -9.624 9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.565 -9.571 11.024 1.00 0.00 H new ATOM 323 N ILE A 21 -5.466 -11.391 8.999 1.00 0.00 N ATOM 324 CA ILE A 21 -6.953 -11.444 8.825 1.00 0.00 C ATOM 325 C ILE A 21 -7.298 -12.599 7.884 1.00 0.00 C ATOM 326 O ILE A 21 -8.448 -12.935 7.694 1.00 0.00 O ATOM 327 CB ILE A 21 -7.444 -10.113 8.236 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.709 -9.810 6.922 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.180 -8.986 9.238 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.330 -8.576 6.259 1.00 0.00 C ATOM 0 H ILE A 21 -4.948 -11.142 8.156 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.440 -11.604 9.787 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.513 -10.187 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.651 -9.637 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.773 -10.667 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.528 -8.040 8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.713 -9.192 10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.111 -8.922 9.440 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.807 -8.362 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.383 -8.766 6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.242 -7.720 6.929 1.00 0.00 H new ATOM 342 N ARG A 22 -6.294 -13.203 7.300 1.00 0.00 N ATOM 343 CA ARG A 22 -6.513 -14.344 6.360 1.00 0.00 C ATOM 344 C ARG A 22 -7.541 -13.948 5.305 1.00 0.00 C ATOM 345 O ARG A 22 -8.504 -14.647 5.064 1.00 0.00 O ATOM 346 CB ARG A 22 -6.994 -15.573 7.133 1.00 0.00 C ATOM 347 CG ARG A 22 -5.852 -16.115 7.998 1.00 0.00 C ATOM 348 CD ARG A 22 -6.340 -17.348 8.760 1.00 0.00 C ATOM 349 NE ARG A 22 -5.236 -17.884 9.612 1.00 0.00 N ATOM 350 CZ ARG A 22 -4.360 -18.724 9.120 1.00 0.00 C ATOM 351 NH1 ARG A 22 -4.435 -19.110 7.872 1.00 0.00 N ATOM 352 NH2 ARG A 22 -3.407 -19.182 9.884 1.00 0.00 N ATOM 0 H ARG A 22 -5.316 -12.949 7.437 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.573 -14.589 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.846 -15.310 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.334 -16.341 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.997 -16.374 7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.515 -15.350 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.198 -17.088 9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.674 -18.112 8.058 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.164 -17.593 10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.181 -18.756 7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.748 -19.765 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.347 -18.886 10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.721 -19.837 9.507 1.00 0.00 H new ATOM 366 N LYS A 23 -7.332 -12.827 4.672 1.00 0.00 N ATOM 367 CA LYS A 23 -8.282 -12.351 3.621 1.00 0.00 C ATOM 368 C LYS A 23 -7.530 -11.602 2.524 1.00 0.00 C ATOM 369 O LYS A 23 -6.358 -11.289 2.644 1.00 0.00 O ATOM 370 CB LYS A 23 -9.313 -11.415 4.245 1.00 0.00 C ATOM 371 CG LYS A 23 -10.328 -12.233 5.040 1.00 0.00 C ATOM 372 CD LYS A 23 -11.336 -11.291 5.695 1.00 0.00 C ATOM 373 CE LYS A 23 -12.293 -12.098 6.572 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.009 -13.099 5.732 1.00 0.00 N ATOM 0 H LYS A 23 -6.535 -12.212 4.838 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.781 -13.217 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.819 -10.695 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.820 -10.844 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.842 -12.934 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.819 -12.825 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.816 -10.546 6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.894 -10.750 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.740 -12.601 7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.009 -11.433 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.847 -13.444 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.305 -12.655 4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.375 -13.898 5.528 1.00 0.00 H new ATOM 388 N TYR A 24 -8.218 -11.320 1.449 1.00 0.00 N ATOM 389 CA TYR A 24 -7.590 -10.603 0.304 1.00 0.00 C ATOM 390 C TYR A 24 -7.686 -9.109 0.535 1.00 0.00 C ATOM 391 O TYR A 24 -8.755 -8.557 0.721 1.00 0.00 O ATOM 392 CB TYR A 24 -8.326 -10.974 -1.000 1.00 0.00 C ATOM 393 CG TYR A 24 -7.766 -12.267 -1.549 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.411 -13.314 -0.684 1.00 0.00 C ATOM 395 CD2 TYR A 24 -7.586 -12.413 -2.928 1.00 0.00 C ATOM 396 CE1 TYR A 24 -6.882 -14.493 -1.194 1.00 0.00 C ATOM 397 CE2 TYR A 24 -7.055 -13.602 -3.439 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.703 -14.642 -2.571 1.00 0.00 C ATOM 399 OH TYR A 24 -6.180 -15.812 -3.073 1.00 0.00 O ATOM 0 H TYR A 24 -9.200 -11.560 1.316 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.542 -10.891 0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.394 -11.081 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.212 -10.176 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.550 -13.203 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.856 -11.610 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.609 -15.295 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.917 -13.718 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.122 -15.752 -4.049 1.00 0.00 H new ATOM 409 N VAL A 25 -6.563 -8.450 0.509 1.00 0.00 N ATOM 410 CA VAL A 25 -6.548 -6.979 0.722 1.00 0.00 C ATOM 411 C VAL A 25 -5.387 -6.356 -0.058 1.00 0.00 C ATOM 412 O VAL A 25 -4.399 -7.005 -0.344 1.00 0.00 O ATOM 413 CB VAL A 25 -6.375 -6.685 2.225 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.746 -6.645 2.898 1.00 0.00 C ATOM 415 CG2 VAL A 25 -5.520 -7.783 2.873 1.00 0.00 C ATOM 0 H VAL A 25 -5.648 -8.871 0.348 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.487 -6.551 0.370 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.880 -5.722 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.624 -6.437 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.352 -5.862 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.242 -7.607 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.400 -7.571 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.011 -8.748 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.540 -7.811 2.396 1.00 0.00 H new ATOM 425 N PRO A 26 -5.505 -5.094 -0.389 1.00 0.00 N ATOM 426 CA PRO A 26 -4.446 -4.363 -1.136 1.00 0.00 C ATOM 427 C PRO A 26 -3.120 -4.360 -0.379 1.00 0.00 C ATOM 428 O PRO A 26 -3.071 -4.151 0.815 1.00 0.00 O ATOM 429 CB PRO A 26 -5.014 -2.934 -1.296 1.00 0.00 C ATOM 430 CG PRO A 26 -6.112 -2.824 -0.281 1.00 0.00 C ATOM 431 CD PRO A 26 -6.657 -4.231 -0.092 1.00 0.00 C ATOM 0 HA PRO A 26 -4.220 -4.829 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.243 -2.183 -1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.394 -2.773 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.734 -2.423 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.894 -2.147 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.022 -4.386 0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.491 -4.431 -0.765 1.00 0.00 H new ATOM 439 N TYR A 27 -2.048 -4.590 -1.079 1.00 0.00 N ATOM 440 CA TYR A 27 -0.703 -4.615 -0.433 1.00 0.00 C ATOM 441 C TYR A 27 0.302 -3.901 -1.329 1.00 0.00 C ATOM 442 O TYR A 27 0.572 -4.320 -2.437 1.00 0.00 O ATOM 443 CB TYR A 27 -0.277 -6.070 -0.233 1.00 0.00 C ATOM 444 CG TYR A 27 1.104 -6.120 0.378 1.00 0.00 C ATOM 445 CD1 TYR A 27 1.255 -6.096 1.769 1.00 0.00 C ATOM 446 CD2 TYR A 27 2.233 -6.187 -0.447 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.535 -6.139 2.335 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.512 -6.231 0.118 1.00 0.00 C ATOM 449 CZ TYR A 27 3.663 -6.207 1.508 1.00 0.00 C ATOM 450 OH TYR A 27 4.926 -6.247 2.066 1.00 0.00 O ATOM 0 H TYR A 27 -2.043 -4.764 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.743 -4.110 0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.990 -6.581 0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.281 -6.594 -1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.384 -6.044 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.116 -6.205 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.652 -6.120 3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.382 -6.283 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 27 5.528 -6.748 1.477 1.00 0.00 H new ATOM 460 N ALA A 28 0.859 -2.821 -0.845 1.00 0.00 N ATOM 461 CA ALA A 28 1.859 -2.052 -1.653 1.00 0.00 C ATOM 462 C ALA A 28 3.075 -1.710 -0.799 1.00 0.00 C ATOM 463 O ALA A 28 2.999 -1.608 0.407 1.00 0.00 O ATOM 464 CB ALA A 28 1.219 -0.762 -2.171 1.00 0.00 C ATOM 0 H ALA A 28 0.665 -2.435 0.079 1.00 0.00 H new ATOM 0 HA ALA A 28 2.178 -2.665 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.948 -0.204 -2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.361 -1.007 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.891 -0.154 -1.328 1.00 0.00 H new ATOM 470 N LEU A 29 4.201 -1.531 -1.437 1.00 0.00 N ATOM 471 CA LEU A 29 5.462 -1.194 -0.706 1.00 0.00 C ATOM 472 C LEU A 29 5.834 0.257 -0.961 1.00 0.00 C ATOM 473 O LEU A 29 5.861 0.722 -2.083 1.00 0.00 O ATOM 474 CB LEU A 29 6.590 -2.103 -1.204 1.00 0.00 C ATOM 475 CG LEU A 29 6.252 -3.571 -0.884 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.014 -4.494 -1.838 1.00 0.00 C ATOM 477 CD2 LEU A 29 6.664 -3.890 0.560 1.00 0.00 C ATOM 0 H LEU A 29 4.304 -1.605 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 29 5.311 -1.342 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.725 -1.976 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.531 -1.824 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 29 5.180 -3.726 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.773 -5.532 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.726 -4.272 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.086 -4.336 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.424 -4.929 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.736 -3.731 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.124 -3.236 1.245 1.00 0.00 H new ATOM 489 N ILE A 30 6.125 0.970 0.092 1.00 0.00 N ATOM 490 CA ILE A 30 6.504 2.410 -0.027 1.00 0.00 C ATOM 491 C ILE A 30 7.990 2.570 0.272 1.00 0.00 C ATOM 492 O ILE A 30 8.489 2.122 1.283 1.00 0.00 O ATOM 493 CB ILE A 30 5.686 3.234 0.970 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.195 3.090 0.642 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.090 4.703 0.857 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.358 3.671 1.784 1.00 0.00 C ATOM 0 H ILE A 30 6.116 0.611 1.047 1.00 0.00 H new ATOM 0 HA ILE A 30 6.300 2.760 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 30 5.873 2.879 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.966 3.607 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.945 2.040 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.510 5.295 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.152 4.807 1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.896 5.057 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.299 3.567 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.579 3.134 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.600 4.726 1.912 1.00 0.00 H new ATOM 508 N ARG A 31 8.695 3.216 -0.617 1.00 0.00 N ATOM 509 CA ARG A 31 10.165 3.433 -0.424 1.00 0.00 C ATOM 510 C ARG A 31 10.527 4.876 -0.776 1.00 0.00 C ATOM 511 O ARG A 31 10.102 5.415 -1.778 1.00 0.00 O ATOM 512 CB ARG A 31 10.943 2.475 -1.326 1.00 0.00 C ATOM 513 CG ARG A 31 10.688 1.034 -0.876 1.00 0.00 C ATOM 514 CD ARG A 31 11.387 0.058 -1.832 1.00 0.00 C ATOM 515 NE ARG A 31 12.867 0.234 -1.734 1.00 0.00 N ATOM 516 CZ ARG A 31 13.671 -0.451 -2.509 1.00 0.00 C ATOM 517 NH1 ARG A 31 13.193 -1.297 -3.386 1.00 0.00 N ATOM 518 NH2 ARG A 31 14.960 -0.290 -2.406 1.00 0.00 N ATOM 0 H ARG A 31 8.315 3.608 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 31 10.423 3.244 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.635 2.604 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 31 12.009 2.699 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.057 0.890 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.617 0.834 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.115 -0.968 -1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.056 0.236 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 31 13.255 0.893 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.185 -1.428 -3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.828 -1.825 -3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.339 0.367 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.590 -0.821 -3.007 1.00 0.00 H new ATOM 532 N LYS A 32 11.320 5.496 0.057 1.00 0.00 N ATOM 533 CA LYS A 32 11.740 6.908 -0.184 1.00 0.00 C ATOM 534 C LYS A 32 12.981 6.939 -1.072 1.00 0.00 C ATOM 535 O LYS A 32 13.922 6.196 -0.881 1.00 0.00 O ATOM 536 CB LYS A 32 12.043 7.585 1.153 1.00 0.00 C ATOM 537 CG LYS A 32 12.346 9.064 0.909 1.00 0.00 C ATOM 538 CD LYS A 32 12.541 9.776 2.249 1.00 0.00 C ATOM 539 CE LYS A 32 12.827 11.261 2.007 1.00 0.00 C ATOM 540 NZ LYS A 32 13.011 11.949 3.316 1.00 0.00 N ATOM 0 H LYS A 32 11.700 5.078 0.906 1.00 0.00 H new ATOM 0 HA LYS A 32 10.933 7.442 -0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.193 7.482 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.893 7.102 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.243 9.166 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.529 9.527 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.649 9.663 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.366 9.321 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.721 11.375 1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.004 11.716 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.205 12.958 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.146 11.850 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.810 11.520 3.824 1.00 0.00 H new ATOM 554 N VAL A 33 12.969 7.802 -2.045 1.00 0.00 N ATOM 555 CA VAL A 33 14.118 7.918 -2.985 1.00 0.00 C ATOM 556 C VAL A 33 15.355 8.437 -2.256 1.00 0.00 C ATOM 557 O VAL A 33 15.301 9.388 -1.504 1.00 0.00 O ATOM 558 CB VAL A 33 13.749 8.882 -4.121 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.970 9.115 -5.013 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.618 8.274 -4.958 1.00 0.00 C ATOM 0 H VAL A 33 12.199 8.444 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 33 14.341 6.932 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 33 13.422 9.832 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.706 9.800 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.777 9.546 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.298 8.166 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.355 8.958 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.947 7.324 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.746 8.107 -4.325 1.00 0.00 H new ATOM 643 N THR A 39 14.324 -1.227 6.208 1.00 0.00 N ATOM 644 CA THR A 39 13.159 -2.079 6.547 1.00 0.00 C ATOM 645 C THR A 39 11.948 -1.662 5.694 1.00 0.00 C ATOM 646 O THR A 39 11.617 -0.492 5.612 1.00 0.00 O ATOM 647 CB THR A 39 12.816 -1.931 8.029 1.00 0.00 C ATOM 648 OG1 THR A 39 13.997 -2.112 8.794 1.00 0.00 O ATOM 649 CG2 THR A 39 11.784 -2.991 8.429 1.00 0.00 C ATOM 0 HA THR A 39 13.408 -3.120 6.341 1.00 0.00 H new ATOM 0 HB THR A 39 12.401 -0.940 8.212 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.780 -1.913 8.239 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.542 -2.882 9.486 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.880 -2.861 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.195 -3.985 8.251 1.00 0.00 H new ATOM 657 N PRO A 40 11.291 -2.606 5.057 1.00 0.00 N ATOM 658 CA PRO A 40 10.111 -2.316 4.194 1.00 0.00 C ATOM 659 C PRO A 40 8.879 -1.934 5.006 1.00 0.00 C ATOM 660 O PRO A 40 8.528 -2.590 5.964 1.00 0.00 O ATOM 661 CB PRO A 40 9.895 -3.636 3.441 1.00 0.00 C ATOM 662 CG PRO A 40 10.439 -4.690 4.348 1.00 0.00 C ATOM 663 CD PRO A 40 11.595 -4.048 5.094 1.00 0.00 C ATOM 0 HA PRO A 40 10.278 -1.464 3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.838 -3.803 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.414 -3.633 2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.674 -5.040 5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.775 -5.557 3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.661 -4.415 6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.549 -4.267 4.615 1.00 0.00 H new ATOM 671 N ILE A 41 8.214 -0.885 4.602 1.00 0.00 N ATOM 672 CA ILE A 41 6.984 -0.424 5.316 1.00 0.00 C ATOM 673 C ILE A 41 5.782 -0.554 4.370 1.00 0.00 C ATOM 674 O ILE A 41 5.403 0.392 3.707 1.00 0.00 O ATOM 675 CB ILE A 41 7.153 1.033 5.733 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.446 1.190 6.555 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.951 1.447 6.587 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.471 0.188 7.721 1.00 0.00 C ATOM 0 H ILE A 41 8.474 -0.318 3.795 1.00 0.00 H new ATOM 0 HA ILE A 41 6.821 -1.033 6.205 1.00 0.00 H new ATOM 0 HB ILE A 41 7.214 1.665 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.313 1.031 5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.517 2.207 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.062 2.488 6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.036 1.334 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.899 0.814 7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.392 0.315 8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.615 0.366 8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.423 -0.828 7.329 1.00 0.00 H new ATOM 690 N PRO A 42 5.192 -1.728 4.299 1.00 0.00 N ATOM 691 CA PRO A 42 4.024 -1.986 3.409 1.00 0.00 C ATOM 692 C PRO A 42 2.758 -1.283 3.887 1.00 0.00 C ATOM 693 O PRO A 42 2.510 -1.162 5.069 1.00 0.00 O ATOM 694 CB PRO A 42 3.858 -3.515 3.438 1.00 0.00 C ATOM 695 CG PRO A 42 4.506 -3.965 4.712 1.00 0.00 C ATOM 696 CD PRO A 42 5.577 -2.931 5.059 1.00 0.00 C ATOM 0 HA PRO A 42 4.191 -1.597 2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.805 -3.796 3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.332 -3.978 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.770 -4.042 5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.949 -4.953 4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.603 -2.732 6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.570 -3.278 4.775 1.00 0.00 H new ATOM 704 N THR A 43 1.956 -0.831 2.962 1.00 0.00 N ATOM 705 CA THR A 43 0.689 -0.131 3.323 1.00 0.00 C ATOM 706 C THR A 43 -0.499 -1.052 3.069 1.00 0.00 C ATOM 707 O THR A 43 -0.592 -1.719 2.051 1.00 0.00 O ATOM 708 CB THR A 43 0.546 1.148 2.490 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.768 1.663 2.647 1.00 0.00 O ATOM 710 CG2 THR A 43 0.810 0.856 1.010 1.00 0.00 C ATOM 0 H THR A 43 2.126 -0.918 1.960 1.00 0.00 H new ATOM 0 HA THR A 43 0.715 0.134 4.380 1.00 0.00 H new ATOM 0 HB THR A 43 1.276 1.880 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.212 1.698 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.704 1.775 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.821 0.467 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.093 0.118 0.651 1.00 0.00 H new ATOM 718 N THR A 44 -1.401 -1.087 4.012 1.00 0.00 N ATOM 719 CA THR A 44 -2.612 -1.952 3.899 1.00 0.00 C ATOM 720 C THR A 44 -3.845 -1.165 4.316 1.00 0.00 C ATOM 721 O THR A 44 -3.752 -0.100 4.897 1.00 0.00 O ATOM 722 CB THR A 44 -2.461 -3.169 4.817 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.801 -2.811 6.149 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.018 -3.669 4.775 1.00 0.00 C ATOM 0 H THR A 44 -1.349 -0.542 4.873 1.00 0.00 H new ATOM 0 HA THR A 44 -2.720 -2.281 2.866 1.00 0.00 H new ATOM 0 HB THR A 44 -3.128 -3.960 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.705 -3.592 6.732 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.914 -4.535 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.761 -3.952 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.349 -2.877 5.112 1.00 0.00 H new ATOM 732 N TYR A 45 -5.006 -1.692 4.020 1.00 0.00 N ATOM 733 CA TYR A 45 -6.276 -1.002 4.385 1.00 0.00 C ATOM 734 C TYR A 45 -7.164 -1.965 5.190 1.00 0.00 C ATOM 735 O TYR A 45 -7.160 -3.160 4.961 1.00 0.00 O ATOM 736 CB TYR A 45 -7.005 -0.563 3.090 1.00 0.00 C ATOM 737 CG TYR A 45 -7.306 0.920 3.157 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.254 1.834 3.282 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.629 1.374 3.111 1.00 0.00 C ATOM 740 CE1 TYR A 45 -6.523 3.204 3.357 1.00 0.00 C ATOM 741 CE2 TYR A 45 -8.899 2.743 3.187 1.00 0.00 C ATOM 742 CZ TYR A 45 -7.846 3.659 3.309 1.00 0.00 C ATOM 743 OH TYR A 45 -8.113 5.009 3.382 1.00 0.00 O ATOM 0 H TYR A 45 -5.127 -2.581 3.535 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.062 -0.123 4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.385 -0.780 2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.930 -1.128 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.234 1.481 3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.440 0.667 3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.711 3.910 3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.919 3.095 3.152 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.081 5.154 3.333 1.00 0.00 H new ATOM 753 N PRO A 46 -7.930 -1.444 6.120 1.00 0.00 N ATOM 754 CA PRO A 46 -8.842 -2.268 6.966 1.00 0.00 C ATOM 755 C PRO A 46 -10.026 -2.805 6.157 1.00 0.00 C ATOM 756 O PRO A 46 -10.759 -3.664 6.603 1.00 0.00 O ATOM 757 CB PRO A 46 -9.314 -1.285 8.054 1.00 0.00 C ATOM 758 CG PRO A 46 -9.173 0.077 7.445 1.00 0.00 C ATOM 759 CD PRO A 46 -8.010 -0.011 6.464 1.00 0.00 C ATOM 0 HA PRO A 46 -8.350 -3.150 7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.347 -1.482 8.341 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.709 -1.377 8.956 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.090 0.372 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.979 0.827 8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.188 0.601 5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.082 0.342 6.914 1.00 0.00 H new ATOM 767 N GLU A 47 -10.212 -2.296 4.970 1.00 0.00 N ATOM 768 CA GLU A 47 -11.345 -2.750 4.113 1.00 0.00 C ATOM 769 C GLU A 47 -11.010 -4.090 3.473 1.00 0.00 C ATOM 770 O GLU A 47 -9.969 -4.665 3.715 1.00 0.00 O ATOM 771 CB GLU A 47 -11.600 -1.717 3.006 1.00 0.00 C ATOM 772 CG GLU A 47 -12.039 -0.386 3.625 1.00 0.00 C ATOM 773 CD GLU A 47 -13.423 -0.541 4.265 1.00 0.00 C ATOM 774 OE1 GLU A 47 -14.042 -1.572 4.060 1.00 0.00 O ATOM 775 OE2 GLU A 47 -13.839 0.380 4.947 1.00 0.00 O ATOM 0 H GLU A 47 -9.621 -1.577 4.553 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.235 -2.856 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.695 -1.573 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.369 -2.083 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.315 -0.067 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.067 0.390 2.860 1.00 0.00 H new ATOM 782 N PHE A 48 -11.902 -4.594 2.660 1.00 0.00 N ATOM 783 CA PHE A 48 -11.671 -5.914 1.992 1.00 0.00 C ATOM 784 C PHE A 48 -11.937 -5.794 0.493 1.00 0.00 C ATOM 785 O PHE A 48 -12.784 -5.044 0.049 1.00 0.00 O ATOM 786 CB PHE A 48 -12.621 -6.953 2.594 1.00 0.00 C ATOM 787 CG PHE A 48 -12.495 -6.934 4.099 1.00 0.00 C ATOM 788 CD1 PHE A 48 -11.503 -7.693 4.728 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.370 -6.152 4.864 1.00 0.00 C ATOM 790 CE1 PHE A 48 -11.386 -7.670 6.124 1.00 0.00 C ATOM 791 CE2 PHE A 48 -13.253 -6.130 6.258 1.00 0.00 C ATOM 792 CZ PHE A 48 -12.260 -6.888 6.888 1.00 0.00 C ATOM 0 H PHE A 48 -12.788 -4.146 2.427 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.637 -6.221 2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.648 -6.736 2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.383 -7.945 2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.828 -8.296 4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.135 -5.566 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.621 -8.256 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.929 -5.528 6.847 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.168 -6.870 7.964 1.00 0.00 H new ATOM 802 N TYR A 49 -11.211 -6.551 -0.283 1.00 0.00 N ATOM 803 CA TYR A 49 -11.388 -6.529 -1.766 1.00 0.00 C ATOM 804 C TYR A 49 -11.057 -7.905 -2.341 1.00 0.00 C ATOM 805 O TYR A 49 -9.913 -8.241 -2.569 1.00 0.00 O ATOM 806 CB TYR A 49 -10.469 -5.478 -2.379 1.00 0.00 C ATOM 807 CG TYR A 49 -10.998 -4.104 -2.049 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.049 -3.566 -2.798 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.438 -3.368 -1.001 1.00 0.00 C ATOM 810 CE1 TYR A 49 -12.540 -2.292 -2.498 1.00 0.00 C ATOM 811 CE2 TYR A 49 -10.926 -2.095 -0.700 1.00 0.00 C ATOM 812 CZ TYR A 49 -11.978 -1.556 -1.448 1.00 0.00 C ATOM 813 OH TYR A 49 -12.462 -0.299 -1.151 1.00 0.00 O ATOM 0 H TYR A 49 -10.492 -7.193 0.051 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.422 -6.280 -2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.456 -5.593 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.415 -5.610 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.481 -4.135 -3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.626 -3.785 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.352 -1.876 -3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.492 -1.527 0.109 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.962 0.074 -0.395 1.00 0.00 H new ATOM 823 N ASP A 50 -12.067 -8.689 -2.586 1.00 0.00 N ATOM 824 CA ASP A 50 -11.862 -10.048 -3.161 1.00 0.00 C ATOM 825 C ASP A 50 -11.432 -9.905 -4.621 1.00 0.00 C ATOM 826 O ASP A 50 -10.920 -10.828 -5.220 1.00 0.00 O ATOM 827 CB ASP A 50 -13.181 -10.830 -3.093 1.00 0.00 C ATOM 828 CG ASP A 50 -13.480 -11.210 -1.640 1.00 0.00 C ATOM 829 OD1 ASP A 50 -12.609 -11.025 -0.807 1.00 0.00 O ATOM 830 OD2 ASP A 50 -14.577 -11.681 -1.387 1.00 0.00 O ATOM 0 H ASP A 50 -13.041 -8.443 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.095 -10.580 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.994 -10.226 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.115 -11.728 -3.708 1.00 0.00 H new ATOM 835 N LEU A 51 -11.652 -8.751 -5.195 1.00 0.00 N ATOM 836 CA LEU A 51 -11.278 -8.524 -6.626 1.00 0.00 C ATOM 837 C LEU A 51 -9.862 -7.964 -6.706 1.00 0.00 C ATOM 838 O LEU A 51 -9.498 -7.043 -6.005 1.00 0.00 O ATOM 839 CB LEU A 51 -12.262 -7.527 -7.253 1.00 0.00 C ATOM 840 CG LEU A 51 -13.697 -8.045 -7.093 1.00 0.00 C ATOM 841 CD1 LEU A 51 -14.677 -7.038 -7.706 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.841 -9.401 -7.803 1.00 0.00 C ATOM 0 H LEU A 51 -12.078 -7.949 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.319 -9.469 -7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.162 -6.553 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.031 -7.389 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.919 -8.168 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.696 -7.407 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.579 -6.079 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.453 -6.911 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.862 -9.766 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.616 -9.282 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.147 -10.118 -7.363 1.00 0.00 H new ATOM 854 N GLU A 52 -9.063 -8.531 -7.566 1.00 0.00 N ATOM 855 CA GLU A 52 -7.656 -8.069 -7.722 1.00 0.00 C ATOM 856 C GLU A 52 -7.647 -6.663 -8.327 1.00 0.00 C ATOM 857 O GLU A 52 -6.851 -5.823 -7.953 1.00 0.00 O ATOM 858 CB GLU A 52 -6.903 -9.025 -8.662 1.00 0.00 C ATOM 859 CG GLU A 52 -5.436 -8.589 -8.754 1.00 0.00 C ATOM 860 CD GLU A 52 -4.647 -9.562 -9.636 1.00 0.00 C ATOM 861 OE1 GLU A 52 -5.156 -10.636 -9.912 1.00 0.00 O ATOM 862 OE2 GLU A 52 -3.542 -9.213 -10.020 1.00 0.00 O ATOM 0 H GLU A 52 -9.329 -9.305 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.170 -8.054 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.968 -10.047 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.360 -9.017 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.374 -7.582 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.997 -8.553 -7.757 1.00 0.00 H new ATOM 869 N ALA A 53 -8.518 -6.412 -9.266 1.00 0.00 N ATOM 870 CA ALA A 53 -8.569 -5.073 -9.925 1.00 0.00 C ATOM 871 C ALA A 53 -8.811 -3.987 -8.879 1.00 0.00 C ATOM 872 O ALA A 53 -8.116 -2.991 -8.835 1.00 0.00 O ATOM 873 CB ALA A 53 -9.722 -5.055 -10.938 1.00 0.00 C ATOM 0 H ALA A 53 -9.204 -7.084 -9.609 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.621 -4.885 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.765 -4.080 -11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.558 -5.827 -11.690 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.663 -5.245 -10.422 1.00 0.00 H new ATOM 879 N ASP A 54 -9.793 -4.169 -8.045 1.00 0.00 N ATOM 880 CA ASP A 54 -10.098 -3.152 -6.999 1.00 0.00 C ATOM 881 C ASP A 54 -8.915 -3.048 -6.038 1.00 0.00 C ATOM 882 O ASP A 54 -8.568 -1.979 -5.578 1.00 0.00 O ATOM 883 CB ASP A 54 -11.343 -3.581 -6.215 1.00 0.00 C ATOM 884 CG ASP A 54 -12.582 -3.429 -7.099 1.00 0.00 C ATOM 885 OD1 ASP A 54 -12.474 -2.784 -8.129 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.618 -3.958 -6.731 1.00 0.00 O ATOM 0 H ASP A 54 -10.404 -4.986 -8.042 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.278 -2.187 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.241 -4.616 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.447 -2.972 -5.317 1.00 0.00 H new ATOM 891 N ALA A 55 -8.308 -4.161 -5.724 1.00 0.00 N ATOM 892 CA ALA A 55 -7.154 -4.158 -4.780 1.00 0.00 C ATOM 893 C ALA A 55 -6.021 -3.319 -5.366 1.00 0.00 C ATOM 894 O ALA A 55 -5.376 -2.561 -4.671 1.00 0.00 O ATOM 895 CB ALA A 55 -6.659 -5.599 -4.585 1.00 0.00 C ATOM 0 H ALA A 55 -8.565 -5.080 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.466 -3.738 -3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.815 -5.604 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.465 -6.208 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.345 -6.009 -5.545 1.00 0.00 H new ATOM 901 N GLU A 56 -5.777 -3.458 -6.638 1.00 0.00 N ATOM 902 CA GLU A 56 -4.682 -2.681 -7.290 1.00 0.00 C ATOM 903 C GLU A 56 -5.048 -1.197 -7.319 1.00 0.00 C ATOM 904 O GLU A 56 -4.251 -0.347 -6.978 1.00 0.00 O ATOM 905 CB GLU A 56 -4.497 -3.181 -8.732 1.00 0.00 C ATOM 906 CG GLU A 56 -3.931 -4.604 -8.722 1.00 0.00 C ATOM 907 CD GLU A 56 -2.511 -4.590 -8.152 1.00 0.00 C ATOM 908 OE1 GLU A 56 -1.704 -3.815 -8.639 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.259 -5.354 -7.238 1.00 0.00 O ATOM 0 H GLU A 56 -6.292 -4.081 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.759 -2.816 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.452 -3.164 -9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.824 -2.516 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.568 -5.255 -8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.923 -5.010 -9.734 1.00 0.00 H new ATOM 916 N ARG A 57 -6.250 -0.885 -7.725 1.00 0.00 N ATOM 917 CA ARG A 57 -6.683 0.544 -7.785 1.00 0.00 C ATOM 918 C ARG A 57 -6.710 1.132 -6.377 1.00 0.00 C ATOM 919 O ARG A 57 -6.258 2.235 -6.144 1.00 0.00 O ATOM 920 CB ARG A 57 -8.093 0.626 -8.389 1.00 0.00 C ATOM 921 CG ARG A 57 -8.027 0.313 -9.886 1.00 0.00 C ATOM 922 CD ARG A 57 -9.440 0.309 -10.478 1.00 0.00 C ATOM 923 NE ARG A 57 -10.056 1.661 -10.317 1.00 0.00 N ATOM 924 CZ ARG A 57 -9.842 2.603 -11.202 1.00 0.00 C ATOM 925 NH1 ARG A 57 -9.077 2.382 -12.239 1.00 0.00 N ATOM 926 NH2 ARG A 57 -10.402 3.770 -11.047 1.00 0.00 N ATOM 0 H ARG A 57 -6.955 -1.561 -8.019 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.982 1.106 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.756 -0.079 -7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.510 1.621 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.412 1.055 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.554 -0.656 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.402 0.039 -11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.052 -0.442 -9.979 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.649 1.852 -9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.640 1.469 -12.365 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.917 3.123 -12.922 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.002 3.945 -10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.240 4.508 -11.732 1.00 0.00 H new ATOM 940 N VAL A 58 -7.238 0.398 -5.441 1.00 0.00 N ATOM 941 CA VAL A 58 -7.308 0.886 -4.037 1.00 0.00 C ATOM 942 C VAL A 58 -5.893 0.975 -3.460 1.00 0.00 C ATOM 943 O VAL A 58 -5.568 1.894 -2.736 1.00 0.00 O ATOM 944 CB VAL A 58 -8.152 -0.081 -3.198 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.054 0.306 -1.720 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.615 0.003 -3.645 1.00 0.00 C ATOM 0 H VAL A 58 -7.629 -0.532 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.770 1.873 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.783 -1.097 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.654 -0.381 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.014 0.253 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.424 1.322 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.217 -0.684 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.980 1.020 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.690 -0.268 -4.698 1.00 0.00 H new ATOM 956 N SER A 59 -5.064 0.008 -3.751 1.00 0.00 N ATOM 957 CA SER A 59 -3.677 0.013 -3.198 1.00 0.00 C ATOM 958 C SER A 59 -2.989 1.332 -3.546 1.00 0.00 C ATOM 959 O SER A 59 -2.353 1.945 -2.712 1.00 0.00 O ATOM 960 CB SER A 59 -2.876 -1.140 -3.821 1.00 0.00 C ATOM 961 OG SER A 59 -3.398 -2.382 -3.369 1.00 0.00 O ATOM 0 H SER A 59 -5.288 -0.787 -4.349 1.00 0.00 H new ATOM 0 HA SER A 59 -3.723 -0.105 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.928 -1.086 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.824 -1.055 -3.548 1.00 0.00 H new ATOM 0 HG SER A 59 -4.100 -2.685 -3.982 1.00 0.00 H new ATOM 967 N ILE A 60 -3.119 1.773 -4.766 1.00 0.00 N ATOM 968 CA ILE A 60 -2.480 3.060 -5.176 1.00 0.00 C ATOM 969 C ILE A 60 -3.135 4.218 -4.415 1.00 0.00 C ATOM 970 O ILE A 60 -2.470 5.113 -3.921 1.00 0.00 O ATOM 971 CB ILE A 60 -2.678 3.266 -6.688 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.866 2.219 -7.459 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.198 4.666 -7.082 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.269 2.233 -8.936 1.00 0.00 C ATOM 0 H ILE A 60 -3.642 1.297 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.415 3.030 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.736 3.160 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.801 2.428 -7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.037 1.229 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.339 4.811 -8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.772 5.415 -6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.141 4.770 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.689 1.487 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.331 2.002 -9.026 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.075 3.220 -9.357 1.00 0.00 H new ATOM 986 N ALA A 61 -4.437 4.200 -4.326 1.00 0.00 N ATOM 987 CA ALA A 61 -5.172 5.289 -3.617 1.00 0.00 C ATOM 988 C ALA A 61 -4.806 5.278 -2.132 1.00 0.00 C ATOM 989 O ALA A 61 -4.634 6.312 -1.519 1.00 0.00 O ATOM 990 CB ALA A 61 -6.681 5.053 -3.768 1.00 0.00 C ATOM 0 H ALA A 61 -5.030 3.469 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.900 6.253 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.226 5.844 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.946 5.059 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.944 4.089 -3.333 1.00 0.00 H new ATOM 996 N CYS A 62 -4.689 4.114 -1.553 1.00 0.00 N ATOM 997 CA CYS A 62 -4.337 4.022 -0.106 1.00 0.00 C ATOM 998 C CYS A 62 -2.906 4.510 0.105 1.00 0.00 C ATOM 999 O CYS A 62 -2.639 5.323 0.966 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.436 2.559 0.347 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.152 2.002 0.222 1.00 0.00 S ATOM 0 H CYS A 62 -4.823 3.218 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.024 4.639 0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.793 1.932 -0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.085 2.461 1.374 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.690 1.986 1.405 1.00 0.00 H new ATOM 1007 N ALA A 63 -1.986 4.015 -0.679 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.558 4.426 -0.532 1.00 0.00 C ATOM 1009 C ALA A 63 -0.474 5.942 -0.396 1.00 0.00 C ATOM 1010 O ALA A 63 0.230 6.457 0.450 1.00 0.00 O ATOM 1011 CB ALA A 63 0.224 3.987 -1.778 1.00 0.00 C ATOM 0 H ALA A 63 -2.163 3.338 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.134 3.957 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.268 4.285 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.164 2.904 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.204 4.461 -2.662 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.187 6.655 -1.221 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.163 8.145 -1.146 1.00 0.00 C ATOM 1019 C LYS A 64 -1.768 8.598 0.185 1.00 0.00 C ATOM 1020 O LYS A 64 -1.287 9.518 0.817 1.00 0.00 O ATOM 1021 CB LYS A 64 -1.990 8.730 -2.298 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.290 8.449 -3.630 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.107 9.053 -4.775 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.378 8.829 -6.102 1.00 0.00 C ATOM 1025 NZ LYS A 64 -1.283 7.367 -6.379 1.00 0.00 N ATOM 0 H LYS A 64 -1.789 6.269 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.133 8.493 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.988 8.292 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.114 9.804 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.286 8.874 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.180 7.374 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.096 8.595 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.255 10.120 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.911 9.329 -6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.381 9.267 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.294 7.059 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.876 6.846 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.612 7.175 -7.347 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.834 7.966 0.599 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.502 8.345 1.879 1.00 0.00 C ATOM 1041 C ILE A 65 -2.573 8.053 3.059 1.00 0.00 C ATOM 1042 O ILE A 65 -2.446 8.844 3.974 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.794 7.529 2.032 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.810 7.985 0.977 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.379 7.746 3.430 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.994 7.010 0.932 1.00 0.00 C ATOM 0 H ILE A 65 -3.276 7.194 0.099 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.735 9.410 1.864 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.572 6.471 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.164 8.989 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.333 8.035 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.296 7.166 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.657 7.424 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.601 8.804 3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.710 7.342 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.635 6.013 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.479 6.982 1.908 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.937 6.919 3.046 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.018 6.550 4.161 1.00 0.00 C ATOM 1060 C ILE A 66 0.156 7.526 4.209 1.00 0.00 C ATOM 1061 O ILE A 66 0.548 7.977 5.267 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.506 5.104 3.936 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.557 4.083 4.421 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.811 4.878 4.692 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.669 3.934 3.387 1.00 0.00 C ATOM 0 H ILE A 66 -2.013 6.223 2.304 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.550 6.601 5.111 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.334 4.965 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.082 3.118 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.977 4.408 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.157 3.858 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.563 5.580 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.650 5.035 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.403 3.211 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.155 4.898 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.245 3.587 2.445 1.00 0.00 H new ATOM 1077 N ILE A 67 0.726 7.837 3.083 1.00 0.00 N ATOM 1078 CA ILE A 67 1.886 8.774 3.064 1.00 0.00 C ATOM 1079 C ILE A 67 1.430 10.159 3.529 1.00 0.00 C ATOM 1080 O ILE A 67 2.090 10.807 4.319 1.00 0.00 O ATOM 1081 CB ILE A 67 2.440 8.869 1.636 1.00 0.00 C ATOM 1082 CG1 ILE A 67 3.069 7.525 1.244 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.508 9.965 1.575 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.353 7.500 -0.262 1.00 0.00 C ATOM 0 H ILE A 67 0.440 7.483 2.170 1.00 0.00 H new ATOM 0 HA ILE A 67 2.664 8.405 3.732 1.00 0.00 H new ATOM 0 HB ILE A 67 1.631 9.110 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.994 7.371 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.398 6.708 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.902 10.033 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.066 10.920 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.318 9.723 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.799 6.543 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.420 7.633 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.042 8.306 -0.516 1.00 0.00 H new ATOM 1096 N ASP A 68 0.307 10.616 3.042 1.00 0.00 N ATOM 1097 CA ASP A 68 -0.206 11.958 3.448 1.00 0.00 C ATOM 1098 C ASP A 68 -0.580 11.933 4.930 1.00 0.00 C ATOM 1099 O ASP A 68 -0.284 12.847 5.678 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.450 12.305 2.619 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.037 12.640 1.184 1.00 0.00 C ATOM 1102 OD1 ASP A 68 0.152 12.747 0.942 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -1.917 12.784 0.352 1.00 0.00 O ATOM 0 H ASP A 68 -0.281 10.114 2.376 1.00 0.00 H new ATOM 0 HA ASP A 68 0.567 12.707 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.146 11.466 2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.971 13.152 3.065 1.00 0.00 H new ATOM 1108 N SER A 69 -1.238 10.888 5.353 1.00 0.00 N ATOM 1109 CA SER A 69 -1.652 10.776 6.781 1.00 0.00 C ATOM 1110 C SER A 69 -0.408 10.662 7.656 1.00 0.00 C ATOM 1111 O SER A 69 -0.352 11.205 8.737 1.00 0.00 O ATOM 1112 CB SER A 69 -2.518 9.525 6.962 1.00 0.00 C ATOM 1113 OG SER A 69 -1.780 8.382 6.556 1.00 0.00 O ATOM 0 H SER A 69 -1.509 10.100 4.765 1.00 0.00 H new ATOM 0 HA SER A 69 -2.223 11.659 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.821 9.426 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.430 9.612 6.372 1.00 0.00 H new ATOM 0 HG SER A 69 -1.048 8.658 5.965 1.00 0.00 H new ATOM 1119 N HIS A 70 0.586 9.965 7.186 1.00 0.00 N ATOM 1120 CA HIS A 70 1.842 9.805 7.974 1.00 0.00 C ATOM 1121 C HIS A 70 2.437 11.179 8.268 1.00 0.00 C ATOM 1122 O HIS A 70 2.924 11.436 9.351 1.00 0.00 O ATOM 1123 CB HIS A 70 2.845 8.976 7.160 1.00 0.00 C ATOM 1124 CG HIS A 70 4.148 8.890 7.905 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.307 8.103 9.034 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.365 9.495 7.697 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.575 8.255 9.459 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.263 9.093 8.679 1.00 0.00 N ATOM 0 H HIS A 70 0.584 9.494 6.281 1.00 0.00 H new ATOM 0 HA HIS A 70 1.624 9.298 8.914 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.448 7.976 6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.002 9.433 6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.589 10.179 6.892 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.986 7.759 10.326 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.237 9.377 8.782 1.00 0.00 H new ATOM 1136 N LEU A 71 2.402 12.057 7.307 1.00 0.00 N ATOM 1137 CA LEU A 71 2.961 13.424 7.507 1.00 0.00 C ATOM 1138 C LEU A 71 2.161 14.146 8.585 1.00 0.00 C ATOM 1139 O LEU A 71 2.711 14.835 9.420 1.00 0.00 O ATOM 1140 CB LEU A 71 2.858 14.211 6.193 1.00 0.00 C ATOM 1141 CG LEU A 71 3.811 13.610 5.150 1.00 0.00 C ATOM 1142 CD1 LEU A 71 3.509 14.213 3.773 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.274 13.911 5.531 1.00 0.00 C ATOM 0 H LEU A 71 2.007 11.886 6.382 1.00 0.00 H new ATOM 0 HA LEU A 71 4.005 13.349 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.834 14.183 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.107 15.258 6.365 1.00 0.00 H new ATOM 0 HG LEU A 71 3.666 12.530 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.186 13.786 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.479 13.989 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.647 15.294 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.941 13.480 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.425 14.990 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.493 13.477 6.506 1.00 0.00 H new ATOM 1155 N ASP A 72 0.865 14.001 8.563 1.00 0.00 N ATOM 1156 CA ASP A 72 0.005 14.681 9.579 1.00 0.00 C ATOM 1157 C ASP A 72 -0.428 13.674 10.647 1.00 0.00 C ATOM 1158 O ASP A 72 0.032 13.710 11.770 1.00 0.00 O ATOM 1159 CB ASP A 72 -1.249 15.237 8.890 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.872 16.445 8.030 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.217 16.961 8.215 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.680 16.833 7.202 1.00 0.00 O ATOM 0 H ASP A 72 0.359 13.437 7.881 1.00 0.00 H new ATOM 0 HA ASP A 72 0.570 15.490 10.043 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.707 14.466 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.988 15.527 9.637 1.00 0.00 H new ATOM 1237 N GLY A 77 5.889 5.370 11.095 1.00 0.00 N ATOM 1238 CA GLY A 77 5.508 4.539 9.918 1.00 0.00 C ATOM 1239 C GLY A 77 6.606 4.622 8.854 1.00 0.00 C ATOM 1240 O GLY A 77 7.257 3.647 8.543 1.00 0.00 O ATOM 0 HA2 GLY A 77 5.361 3.503 10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.561 4.887 9.506 1.00 0.00 H new ATOM 1244 N LEU A 78 6.806 5.780 8.288 1.00 0.00 N ATOM 1245 CA LEU A 78 7.849 5.945 7.228 1.00 0.00 C ATOM 1246 C LEU A 78 9.130 6.466 7.875 1.00 0.00 C ATOM 1247 O LEU A 78 10.054 6.881 7.205 1.00 0.00 O ATOM 1248 CB LEU A 78 7.349 6.949 6.173 1.00 0.00 C ATOM 1249 CG LEU A 78 6.037 6.446 5.549 1.00 0.00 C ATOM 1250 CD1 LEU A 78 5.500 7.498 4.571 1.00 0.00 C ATOM 1251 CD2 LEU A 78 6.287 5.131 4.793 1.00 0.00 C ATOM 0 H LEU A 78 6.288 6.629 8.515 1.00 0.00 H new ATOM 0 HA LEU A 78 8.047 4.989 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.192 7.925 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.103 7.080 5.397 1.00 0.00 H new ATOM 0 HG LEU A 78 5.308 6.273 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.570 7.142 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.314 8.430 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.234 7.671 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.353 4.781 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.019 5.299 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.666 4.380 5.486 1.00 0.00 H new ATOM 1263 N ALA A 79 9.185 6.437 9.178 1.00 0.00 N ATOM 1264 CA ALA A 79 10.394 6.919 9.905 1.00 0.00 C ATOM 1265 C ALA A 79 11.596 6.049 9.530 1.00 0.00 C ATOM 1266 O ALA A 79 12.697 6.533 9.363 1.00 0.00 O ATOM 1267 CB ALA A 79 10.148 6.807 11.417 1.00 0.00 C ATOM 0 H ALA A 79 8.434 6.095 9.778 1.00 0.00 H new ATOM 0 HA ALA A 79 10.594 7.956 9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.028 7.158 11.956 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.287 7.417 11.692 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.954 5.767 11.678 1.00 0.00 H new ATOM 1273 N ASP A 80 11.389 4.766 9.404 1.00 0.00 N ATOM 1274 CA ASP A 80 12.511 3.845 9.051 1.00 0.00 C ATOM 1275 C ASP A 80 13.000 4.174 7.640 1.00 0.00 C ATOM 1276 O ASP A 80 14.172 4.076 7.342 1.00 0.00 O ATOM 1277 CB ASP A 80 12.002 2.390 9.083 1.00 0.00 C ATOM 1278 CG ASP A 80 12.000 1.870 10.525 1.00 0.00 C ATOM 1279 OD1 ASP A 80 12.453 2.590 11.399 1.00 0.00 O ATOM 1280 OD2 ASP A 80 11.549 0.755 10.729 1.00 0.00 O ATOM 0 H ASP A 80 10.485 4.312 9.531 1.00 0.00 H new ATOM 0 HA ASP A 80 13.327 3.965 9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.996 2.338 8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.637 1.760 8.461 1.00 0.00 H new ATOM 1285 N LEU A 81 12.102 4.543 6.772 1.00 0.00 N ATOM 1286 CA LEU A 81 12.489 4.869 5.369 1.00 0.00 C ATOM 1287 C LEU A 81 12.912 6.334 5.294 1.00 0.00 C ATOM 1288 O LEU A 81 13.355 6.807 4.270 1.00 0.00 O ATOM 1289 CB LEU A 81 11.276 4.644 4.455 1.00 0.00 C ATOM 1290 CG LEU A 81 10.803 3.187 4.571 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.548 2.984 3.713 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.915 2.241 4.091 1.00 0.00 C ATOM 0 H LEU A 81 11.107 4.634 6.975 1.00 0.00 H new ATOM 0 HA LEU A 81 13.315 4.233 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.469 5.322 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.540 4.869 3.422 1.00 0.00 H new ATOM 0 HG LEU A 81 10.569 2.967 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.214 1.950 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.758 3.650 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.779 3.208 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.576 1.209 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.156 2.461 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.803 2.382 4.706 1.00 0.00 H new ATOM 1304 N GLY A 82 12.772 7.052 6.374 1.00 0.00 N ATOM 1305 CA GLY A 82 13.156 8.500 6.385 1.00 0.00 C ATOM 1306 C GLY A 82 14.545 8.663 7.009 1.00 0.00 C ATOM 1307 O GLY A 82 15.402 7.840 6.732 1.00 0.00 O ATOM 1308 OXT GLY A 82 14.728 9.612 7.755 1.00 0.00 O ATOM 0 H GLY A 82 12.406 6.699 7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.155 8.894 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.423 9.076 6.950 1.00 0.00 H new