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 Set 1.1: A 9 TYR OH : rot 180:sc= 0.115 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 162:sc= 1.16 (180deg=-0.177) USER MOD Single : A 5 HIS : no HD1:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -1.85 K(o=-1.9,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= -3.01! C(o=-3!,f=-2.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0341 (180deg=-0.525) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 150:sc= -0.726 USER MOD Single : A 39 THR OG1 : rot 38:sc= 0.223 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0879 USER MOD Single : A 44 THR OG1 : rot -130:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 89:sc= 0.442 USER MOD Single : A 59 SER OG : rot 96:sc= 0.293 USER MOD Single : A 62 CYS SG : rot -80:sc= -2.55 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 84:sc= 0.326 USER MOD Single : A 70 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 6.612 2.132 -11.069 1.00 0.00 N ATOM 35 CA VAL A 3 6.223 2.679 -9.735 1.00 0.00 C ATOM 36 C VAL A 3 5.837 4.152 -9.866 1.00 0.00 C ATOM 37 O VAL A 3 6.467 4.911 -10.573 1.00 0.00 O ATOM 38 CB VAL A 3 7.400 2.536 -8.764 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.612 1.055 -8.449 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.672 3.104 -9.403 1.00 0.00 C ATOM 0 HA VAL A 3 5.367 2.123 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 3 7.182 3.084 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.448 0.946 -7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.710 0.647 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.829 0.515 -9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.506 3.000 -8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.893 2.558 -10.320 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.523 4.158 -9.635 1.00 0.00 H new ATOM 50 N ALA A 4 4.794 4.558 -9.187 1.00 0.00 N ATOM 51 CA ALA A 4 4.341 5.978 -9.266 1.00 0.00 C ATOM 52 C ALA A 4 5.048 6.808 -8.194 1.00 0.00 C ATOM 53 O ALA A 4 5.551 6.282 -7.222 1.00 0.00 O ATOM 54 CB ALA A 4 2.831 6.033 -9.029 1.00 0.00 C ATOM 0 H ALA A 4 4.234 3.962 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 4 4.581 6.381 -10.250 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.491 7.067 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.321 5.442 -9.790 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.603 5.629 -8.043 1.00 0.00 H new ATOM 60 N HIS A 5 5.085 8.105 -8.367 1.00 0.00 N ATOM 61 CA HIS A 5 5.754 8.999 -7.369 1.00 0.00 C ATOM 62 C HIS A 5 4.701 9.851 -6.666 1.00 0.00 C ATOM 63 O HIS A 5 3.767 10.328 -7.276 1.00 0.00 O ATOM 64 CB HIS A 5 6.730 9.919 -8.104 1.00 0.00 C ATOM 65 CG HIS A 5 7.854 9.101 -8.675 1.00 0.00 C ATOM 66 ND1 HIS A 5 8.803 9.643 -9.524 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.195 7.777 -8.528 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.662 8.661 -9.853 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.337 7.503 -9.273 1.00 0.00 N ATOM 0 H HIS A 5 4.676 8.589 -9.166 1.00 0.00 H new ATOM 0 HA HIS A 5 6.288 8.396 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.213 10.453 -8.901 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.124 10.671 -7.420 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.658 7.059 -7.926 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.511 8.793 -10.507 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.822 6.610 -9.358 1.00 0.00 H new ATOM 77 N TYR A 6 4.842 10.048 -5.382 1.00 0.00 N ATOM 78 CA TYR A 6 3.844 10.873 -4.641 1.00 0.00 C ATOM 79 C TYR A 6 4.525 11.547 -3.444 1.00 0.00 C ATOM 80 O TYR A 6 5.057 10.896 -2.568 1.00 0.00 O ATOM 81 CB TYR A 6 2.698 9.979 -4.160 1.00 0.00 C ATOM 82 CG TYR A 6 1.643 10.836 -3.504 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.892 11.728 -4.281 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.413 10.744 -2.125 1.00 0.00 C ATOM 85 CE1 TYR A 6 -0.086 12.527 -3.680 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.434 11.543 -1.525 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.316 12.435 -2.302 1.00 0.00 C ATOM 88 OH TYR A 6 -1.279 13.224 -1.710 1.00 0.00 O ATOM 0 H TYR A 6 5.603 9.674 -4.815 1.00 0.00 H new ATOM 0 HA TYR A 6 3.442 11.642 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.269 9.433 -5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.071 9.237 -3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.068 11.799 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.991 10.057 -1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.664 13.215 -4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.256 11.472 -0.462 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.311 13.035 -0.749 1.00 0.00 H new ATOM 98 N ARG A 7 4.511 12.854 -3.415 1.00 0.00 N ATOM 99 CA ARG A 7 5.151 13.600 -2.294 1.00 0.00 C ATOM 100 C ARG A 7 6.610 13.162 -2.132 1.00 0.00 C ATOM 101 O ARG A 7 7.168 13.233 -1.056 1.00 0.00 O ATOM 102 CB ARG A 7 4.377 13.342 -0.998 1.00 0.00 C ATOM 103 CG ARG A 7 2.952 13.878 -1.156 1.00 0.00 C ATOM 104 CD ARG A 7 2.137 13.571 0.101 1.00 0.00 C ATOM 105 NE ARG A 7 2.693 14.338 1.254 1.00 0.00 N ATOM 106 CZ ARG A 7 2.289 15.560 1.492 1.00 0.00 C ATOM 107 NH1 ARG A 7 1.407 16.127 0.711 1.00 0.00 N ATOM 108 NH2 ARG A 7 2.773 16.216 2.511 1.00 0.00 N ATOM 0 H ARG A 7 4.079 13.441 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 7 5.131 14.667 -2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.356 12.275 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.873 13.831 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.976 14.954 -1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.478 13.425 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.092 13.837 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.165 12.502 0.314 1.00 0.00 H new ATOM 0 HE ARG A 7 3.392 13.908 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.031 15.617 -0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.095 17.080 0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.464 15.776 3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.460 17.168 2.699 1.00 0.00 H new ATOM 122 N GLY A 8 7.236 12.724 -3.196 1.00 0.00 N ATOM 123 CA GLY A 8 8.666 12.299 -3.107 1.00 0.00 C ATOM 124 C GLY A 8 8.751 10.832 -2.688 1.00 0.00 C ATOM 125 O GLY A 8 9.826 10.283 -2.553 1.00 0.00 O ATOM 0 H GLY A 8 6.818 12.643 -4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.156 12.439 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.195 12.923 -2.386 1.00 0.00 H new ATOM 129 N TYR A 9 7.627 10.196 -2.484 1.00 0.00 N ATOM 130 CA TYR A 9 7.626 8.758 -2.071 1.00 0.00 C ATOM 131 C TYR A 9 7.244 7.886 -3.263 1.00 0.00 C ATOM 132 O TYR A 9 6.373 8.223 -4.038 1.00 0.00 O ATOM 133 CB TYR A 9 6.612 8.559 -0.944 1.00 0.00 C ATOM 134 CG TYR A 9 7.110 9.257 0.298 1.00 0.00 C ATOM 135 CD1 TYR A 9 6.880 10.625 0.471 1.00 0.00 C ATOM 136 CD2 TYR A 9 7.806 8.534 1.273 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.347 11.273 1.621 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.272 9.181 2.423 1.00 0.00 C ATOM 139 CZ TYR A 9 8.042 10.550 2.597 1.00 0.00 C ATOM 140 OH TYR A 9 8.501 11.188 3.732 1.00 0.00 O ATOM 0 H TYR A 9 6.702 10.613 -2.586 1.00 0.00 H new ATOM 0 HA TYR A 9 8.619 8.476 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.641 8.959 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.472 7.496 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.342 11.182 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.983 7.477 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.171 12.330 1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.809 8.624 3.176 1.00 0.00 H new ATOM 0 HH TYR A 9 8.961 10.542 4.307 1.00 0.00 H new ATOM 150 N GLU A 10 7.891 6.764 -3.414 1.00 0.00 N ATOM 151 CA GLU A 10 7.569 5.862 -4.554 1.00 0.00 C ATOM 152 C GLU A 10 6.468 4.899 -4.133 1.00 0.00 C ATOM 153 O GLU A 10 6.450 4.413 -3.021 1.00 0.00 O ATOM 154 CB GLU A 10 8.818 5.069 -4.938 1.00 0.00 C ATOM 155 CG GLU A 10 9.837 6.015 -5.570 1.00 0.00 C ATOM 156 CD GLU A 10 11.126 5.250 -5.873 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.160 4.059 -5.613 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.057 5.869 -6.361 1.00 0.00 O ATOM 0 H GLU A 10 8.631 6.432 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 10 7.234 6.451 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.245 4.591 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.558 4.274 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.432 6.443 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.045 6.846 -4.895 1.00 0.00 H new ATOM 165 N ILE A 11 5.549 4.621 -5.021 1.00 0.00 N ATOM 166 CA ILE A 11 4.427 3.687 -4.702 1.00 0.00 C ATOM 167 C ILE A 11 4.477 2.509 -5.663 1.00 0.00 C ATOM 168 O ILE A 11 4.562 2.685 -6.861 1.00 0.00 O ATOM 169 CB ILE A 11 3.098 4.418 -4.876 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.016 5.549 -3.851 1.00 0.00 C ATOM 171 CG2 ILE A 11 1.943 3.437 -4.658 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.821 6.450 -4.168 1.00 0.00 C ATOM 0 H ILE A 11 5.528 5.006 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 11 4.520 3.334 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 11 3.030 4.830 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.916 5.136 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.937 6.132 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.994 3.959 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.010 2.628 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.001 3.025 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.767 7.254 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.940 6.875 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.903 5.863 -4.131 1.00 0.00 H new ATOM 184 N GLU A 12 4.420 1.306 -5.146 1.00 0.00 N ATOM 185 CA GLU A 12 4.460 0.097 -6.025 1.00 0.00 C ATOM 186 C GLU A 12 3.135 -0.672 -5.871 1.00 0.00 C ATOM 187 O GLU A 12 2.789 -1.077 -4.776 1.00 0.00 O ATOM 188 CB GLU A 12 5.613 -0.804 -5.595 1.00 0.00 C ATOM 189 CG GLU A 12 5.753 -1.932 -6.613 1.00 0.00 C ATOM 190 CD GLU A 12 6.977 -2.781 -6.277 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.914 -2.239 -5.712 1.00 0.00 O ATOM 192 OE2 GLU A 12 6.958 -3.958 -6.589 1.00 0.00 O ATOM 0 H GLU A 12 4.347 1.109 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 12 4.601 0.398 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.539 -0.232 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.425 -1.212 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.856 -2.552 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.850 -1.519 -7.617 1.00 0.00 H new ATOM 199 N PRO A 13 2.381 -0.874 -6.942 1.00 0.00 N ATOM 200 CA PRO A 13 1.075 -1.598 -6.868 1.00 0.00 C ATOM 201 C PRO A 13 1.250 -3.109 -6.684 1.00 0.00 C ATOM 202 O PRO A 13 2.277 -3.668 -7.006 1.00 0.00 O ATOM 203 CB PRO A 13 0.404 -1.279 -8.212 1.00 0.00 C ATOM 204 CG PRO A 13 1.534 -1.037 -9.162 1.00 0.00 C ATOM 205 CD PRO A 13 2.683 -0.453 -8.330 1.00 0.00 C ATOM 0 HA PRO A 13 0.486 -1.283 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.222 -2.106 -8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.240 -0.403 -8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.838 -1.964 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.236 -0.347 -9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.648 -0.836 -8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.725 0.633 -8.416 1.00 0.00 H new ATOM 213 N GLY A 14 0.249 -3.771 -6.171 1.00 0.00 N ATOM 214 CA GLY A 14 0.360 -5.242 -5.973 1.00 0.00 C ATOM 215 C GLY A 14 -0.834 -5.742 -5.165 1.00 0.00 C ATOM 216 O GLY A 14 -1.768 -5.012 -4.899 1.00 0.00 O ATOM 0 H GLY A 14 -0.637 -3.358 -5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.396 -5.747 -6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.288 -5.480 -5.454 1.00 0.00 H new ATOM 220 N HIS A 15 -0.811 -6.985 -4.771 1.00 0.00 N ATOM 221 CA HIS A 15 -1.940 -7.540 -3.975 1.00 0.00 C ATOM 222 C HIS A 15 -1.412 -8.646 -3.064 1.00 0.00 C ATOM 223 O HIS A 15 -0.504 -9.372 -3.414 1.00 0.00 O ATOM 224 CB HIS A 15 -2.997 -8.118 -4.921 1.00 0.00 C ATOM 225 CG HIS A 15 -2.364 -9.131 -5.837 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.789 -8.775 -7.048 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.221 -10.494 -5.742 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.332 -9.902 -7.628 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.570 -10.979 -6.874 1.00 0.00 N ATOM 0 H HIS A 15 -0.056 -7.642 -4.967 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.389 -6.750 -3.373 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.797 -8.584 -4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.450 -7.318 -5.507 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.562 -11.098 -4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.834 -9.931 -8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.327 -11.948 -7.082 1.00 0.00 H new ATOM 237 N GLN A 16 -1.976 -8.783 -1.899 1.00 0.00 N ATOM 238 CA GLN A 16 -1.513 -9.848 -0.969 1.00 0.00 C ATOM 239 C GLN A 16 -2.510 -9.974 0.177 1.00 0.00 C ATOM 240 O GLN A 16 -3.225 -9.043 0.489 1.00 0.00 O ATOM 241 CB GLN A 16 -0.131 -9.499 -0.411 1.00 0.00 C ATOM 242 CG GLN A 16 0.320 -10.603 0.547 1.00 0.00 C ATOM 243 CD GLN A 16 1.773 -10.368 0.961 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.148 -9.267 1.314 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.613 -11.366 0.934 1.00 0.00 N ATOM 0 H GLN A 16 -2.739 -8.203 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.444 -10.793 -1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.586 -9.392 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.167 -8.542 0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.321 -10.617 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.222 -11.576 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.298 -12.290 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.585 -11.222 1.209 1.00 0.00 H new ATOM 254 N TYR A 17 -2.566 -11.119 0.806 1.00 0.00 N ATOM 255 CA TYR A 17 -3.521 -11.318 1.938 1.00 0.00 C ATOM 256 C TYR A 17 -2.763 -11.290 3.260 1.00 0.00 C ATOM 257 O TYR A 17 -1.677 -11.817 3.379 1.00 0.00 O ATOM 258 CB TYR A 17 -4.225 -12.663 1.773 1.00 0.00 C ATOM 259 CG TYR A 17 -3.206 -13.778 1.789 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.609 -14.196 0.593 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.864 -14.398 2.996 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.670 -15.234 0.605 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.927 -15.438 3.007 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.329 -15.856 1.812 1.00 0.00 C ATOM 265 OH TYR A 17 -0.406 -16.882 1.824 1.00 0.00 O ATOM 0 H TYR A 17 -1.988 -11.930 0.583 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.262 -10.518 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.948 -12.807 2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.782 -12.680 0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.873 -13.717 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.323 -14.074 3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.208 -15.555 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.665 -15.918 3.938 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.284 -17.201 2.742 1.00 0.00 H new ATOM 275 N ARG A 18 -3.334 -10.670 4.256 1.00 0.00 N ATOM 276 CA ARG A 18 -2.654 -10.589 5.582 1.00 0.00 C ATOM 277 C ARG A 18 -3.075 -11.778 6.447 1.00 0.00 C ATOM 278 O ARG A 18 -4.238 -12.118 6.530 1.00 0.00 O ATOM 279 CB ARG A 18 -3.051 -9.280 6.270 1.00 0.00 C ATOM 280 CG ARG A 18 -2.493 -8.100 5.471 1.00 0.00 C ATOM 281 CD ARG A 18 -2.964 -6.783 6.094 1.00 0.00 C ATOM 282 NE ARG A 18 -2.367 -6.637 7.451 1.00 0.00 N ATOM 283 CZ ARG A 18 -2.701 -5.626 8.210 1.00 0.00 C ATOM 284 NH1 ARG A 18 -3.554 -4.736 7.778 1.00 0.00 N ATOM 285 NH2 ARG A 18 -2.174 -5.503 9.397 1.00 0.00 N ATOM 0 H ARG A 18 -4.245 -10.214 4.209 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.573 -10.614 5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.136 -9.207 6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.665 -9.259 7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.404 -8.139 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.824 -8.162 4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.671 -5.944 5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.052 -6.767 6.159 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.696 -7.327 7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.961 -4.829 6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.813 -3.948 8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.503 -6.195 9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.433 -4.715 9.991 1.00 0.00 H new ATOM 299 N ASP A 19 -2.135 -12.413 7.089 1.00 0.00 N ATOM 300 CA ASP A 19 -2.468 -13.582 7.949 1.00 0.00 C ATOM 301 C ASP A 19 -3.261 -13.103 9.166 1.00 0.00 C ATOM 302 O ASP A 19 -3.966 -13.862 9.801 1.00 0.00 O ATOM 303 CB ASP A 19 -1.169 -14.245 8.414 1.00 0.00 C ATOM 304 CG ASP A 19 -0.307 -13.207 9.132 1.00 0.00 C ATOM 305 OD1 ASP A 19 -0.643 -12.037 9.057 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.672 -13.599 9.745 1.00 0.00 O ATOM 0 H ASP A 19 -1.145 -12.171 7.055 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.065 -14.299 7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.390 -15.077 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.630 -14.656 7.560 1.00 0.00 H new ATOM 311 N ASP A 20 -3.145 -11.845 9.492 1.00 0.00 N ATOM 312 CA ASP A 20 -3.879 -11.297 10.665 1.00 0.00 C ATOM 313 C ASP A 20 -5.388 -11.455 10.455 1.00 0.00 C ATOM 314 O ASP A 20 -6.094 -11.920 11.328 1.00 0.00 O ATOM 315 CB ASP A 20 -3.527 -9.817 10.812 1.00 0.00 C ATOM 316 CG ASP A 20 -4.231 -9.236 12.037 1.00 0.00 C ATOM 317 OD1 ASP A 20 -5.108 -9.901 12.564 1.00 0.00 O ATOM 318 OD2 ASP A 20 -3.883 -8.133 12.427 1.00 0.00 O ATOM 0 H ASP A 20 -2.568 -11.169 8.991 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.594 -11.838 11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.448 -9.699 10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.826 -9.272 9.917 1.00 0.00 H new ATOM 323 N ILE A 21 -5.884 -11.082 9.299 1.00 0.00 N ATOM 324 CA ILE A 21 -7.347 -11.215 9.012 1.00 0.00 C ATOM 325 C ILE A 21 -7.558 -12.363 8.020 1.00 0.00 C ATOM 326 O ILE A 21 -8.672 -12.700 7.674 1.00 0.00 O ATOM 327 CB ILE A 21 -7.875 -9.901 8.422 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.964 -9.435 7.285 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.902 -8.828 9.513 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.599 -8.232 6.581 1.00 0.00 C ATOM 0 H ILE A 21 -5.333 -10.688 8.536 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.890 -11.430 9.933 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.881 -10.064 8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.984 -9.164 7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.809 -10.246 6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.277 -7.894 9.095 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.555 -9.150 10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.894 -8.675 9.898 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.950 -7.900 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.569 -8.519 6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.731 -7.420 7.296 1.00 0.00 H new ATOM 342 N ARG A 22 -6.489 -12.970 7.570 1.00 0.00 N ATOM 343 CA ARG A 22 -6.605 -14.105 6.607 1.00 0.00 C ATOM 344 C ARG A 22 -7.533 -13.721 5.453 1.00 0.00 C ATOM 345 O ARG A 22 -8.402 -14.478 5.072 1.00 0.00 O ATOM 346 CB ARG A 22 -7.161 -15.337 7.330 1.00 0.00 C ATOM 347 CG ARG A 22 -6.153 -15.801 8.387 1.00 0.00 C ATOM 348 CD ARG A 22 -6.701 -17.027 9.125 1.00 0.00 C ATOM 349 NE ARG A 22 -7.879 -16.625 9.943 1.00 0.00 N ATOM 350 CZ ARG A 22 -8.519 -17.514 10.652 1.00 0.00 C ATOM 351 NH1 ARG A 22 -8.125 -18.761 10.655 1.00 0.00 N ATOM 352 NH2 ARG A 22 -9.552 -17.157 11.364 1.00 0.00 N ATOM 0 H ARG A 22 -5.534 -12.725 7.831 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.618 -14.335 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.115 -15.097 7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.351 -16.138 6.615 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.202 -16.045 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.959 -14.996 9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.987 -17.798 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.929 -17.456 9.764 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.186 -15.652 9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.315 -19.041 10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.628 -19.453 11.210 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.858 -16.184 11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.053 -17.851 11.919 1.00 0.00 H new ATOM 366 N LYS A 23 -7.352 -12.553 4.891 1.00 0.00 N ATOM 367 CA LYS A 23 -8.219 -12.116 3.753 1.00 0.00 C ATOM 368 C LYS A 23 -7.390 -11.303 2.760 1.00 0.00 C ATOM 369 O LYS A 23 -6.286 -10.880 3.052 1.00 0.00 O ATOM 370 CB LYS A 23 -9.375 -11.263 4.277 1.00 0.00 C ATOM 371 CG LYS A 23 -10.413 -12.170 4.934 1.00 0.00 C ATOM 372 CD LYS A 23 -11.542 -11.318 5.510 1.00 0.00 C ATOM 373 CE LYS A 23 -12.528 -12.220 6.251 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.114 -13.201 5.295 1.00 0.00 N ATOM 0 H LYS A 23 -6.639 -11.880 5.172 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.623 -12.996 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.006 -10.532 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.829 -10.704 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.811 -12.874 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.948 -12.759 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.137 -10.568 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.053 -10.782 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.021 -12.743 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.318 -11.620 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.993 -13.591 5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.322 -12.726 4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.436 -13.973 5.131 1.00 0.00 H new ATOM 388 N TYR A 24 -7.915 -11.088 1.583 1.00 0.00 N ATOM 389 CA TYR A 24 -7.165 -10.313 0.557 1.00 0.00 C ATOM 390 C TYR A 24 -7.400 -8.818 0.765 1.00 0.00 C ATOM 391 O TYR A 24 -8.519 -8.372 0.929 1.00 0.00 O ATOM 392 CB TYR A 24 -7.668 -10.713 -0.829 1.00 0.00 C ATOM 393 CG TYR A 24 -7.237 -12.129 -1.120 1.00 0.00 C ATOM 394 CD1 TYR A 24 -5.938 -12.381 -1.575 1.00 0.00 C ATOM 395 CD2 TYR A 24 -8.132 -13.188 -0.933 1.00 0.00 C ATOM 396 CE1 TYR A 24 -5.532 -13.691 -1.843 1.00 0.00 C ATOM 397 CE2 TYR A 24 -7.726 -14.501 -1.201 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.426 -14.752 -1.656 1.00 0.00 C ATOM 399 OH TYR A 24 -6.025 -16.046 -1.920 1.00 0.00 O ATOM 0 H TYR A 24 -8.834 -11.418 1.289 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.099 -10.525 0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.754 -10.634 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.269 -10.036 -1.584 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.249 -11.562 -1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.135 -12.993 -0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.529 -13.885 -2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.415 -15.320 -1.057 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.765 -16.662 -1.737 1.00 0.00 H new ATOM 409 N VAL A 25 -6.352 -8.035 0.750 1.00 0.00 N ATOM 410 CA VAL A 25 -6.515 -6.563 0.939 1.00 0.00 C ATOM 411 C VAL A 25 -5.414 -5.837 0.148 1.00 0.00 C ATOM 412 O VAL A 25 -4.370 -6.400 -0.123 1.00 0.00 O ATOM 413 CB VAL A 25 -6.403 -6.223 2.440 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.777 -6.349 3.110 1.00 0.00 C ATOM 415 CG2 VAL A 25 -5.428 -7.194 3.111 1.00 0.00 C ATOM 0 H VAL A 25 -5.392 -8.351 0.615 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.492 -6.243 0.578 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.041 -5.200 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.689 -6.107 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.477 -5.660 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.143 -7.370 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.348 -6.955 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.794 -8.214 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.447 -7.105 2.644 1.00 0.00 H new ATOM 425 N PRO A 26 -5.635 -4.595 -0.219 1.00 0.00 N ATOM 426 CA PRO A 26 -4.632 -3.806 -0.986 1.00 0.00 C ATOM 427 C PRO A 26 -3.215 -3.984 -0.433 1.00 0.00 C ATOM 428 O PRO A 26 -2.981 -3.840 0.749 1.00 0.00 O ATOM 429 CB PRO A 26 -5.101 -2.352 -0.807 1.00 0.00 C ATOM 430 CG PRO A 26 -6.575 -2.429 -0.538 1.00 0.00 C ATOM 431 CD PRO A 26 -6.864 -3.822 0.037 1.00 0.00 C ATOM 0 HA PRO A 26 -4.576 -4.120 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.577 -1.871 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.897 -1.762 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.878 -1.653 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.142 -2.267 -1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.086 -3.772 1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.727 -4.279 -0.447 1.00 0.00 H new ATOM 439 N TYR A 27 -2.276 -4.304 -1.287 1.00 0.00 N ATOM 440 CA TYR A 27 -0.866 -4.503 -0.836 1.00 0.00 C ATOM 441 C TYR A 27 0.073 -3.728 -1.755 1.00 0.00 C ATOM 442 O TYR A 27 0.121 -3.958 -2.945 1.00 0.00 O ATOM 443 CB TYR A 27 -0.527 -5.993 -0.906 1.00 0.00 C ATOM 444 CG TYR A 27 0.868 -6.214 -0.378 1.00 0.00 C ATOM 445 CD1 TYR A 27 1.071 -6.444 0.987 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.960 -6.189 -1.254 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.365 -6.649 1.477 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.254 -6.393 -0.765 1.00 0.00 C ATOM 449 CZ TYR A 27 3.458 -6.623 0.601 1.00 0.00 C ATOM 450 OH TYR A 27 4.734 -6.824 1.084 1.00 0.00 O ATOM 0 H TYR A 27 -2.428 -4.437 -2.287 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.751 -4.145 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.245 -6.568 -0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.599 -6.346 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.229 -6.463 1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.803 -6.012 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.522 -6.827 2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.096 -6.373 -1.441 1.00 0.00 H new ATOM 0 HH TYR A 27 5.284 -7.243 0.390 1.00 0.00 H new ATOM 460 N ALA A 28 0.827 -2.809 -1.213 1.00 0.00 N ATOM 461 CA ALA A 28 1.772 -2.020 -2.059 1.00 0.00 C ATOM 462 C ALA A 28 3.036 -1.735 -1.250 1.00 0.00 C ATOM 463 O ALA A 28 3.002 -1.652 -0.039 1.00 0.00 O ATOM 464 CB ALA A 28 1.103 -0.701 -2.485 1.00 0.00 C ATOM 0 H ALA A 28 0.830 -2.570 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 28 2.034 -2.583 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.793 -0.126 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.200 -0.919 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.841 -0.123 -1.599 1.00 0.00 H new ATOM 470 N LEU A 29 4.151 -1.585 -1.915 1.00 0.00 N ATOM 471 CA LEU A 29 5.431 -1.309 -1.198 1.00 0.00 C ATOM 472 C LEU A 29 5.804 0.154 -1.409 1.00 0.00 C ATOM 473 O LEU A 29 5.810 0.647 -2.518 1.00 0.00 O ATOM 474 CB LEU A 29 6.529 -2.205 -1.774 1.00 0.00 C ATOM 475 CG LEU A 29 6.097 -3.673 -1.679 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.183 -4.560 -2.292 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.876 -4.064 -0.207 1.00 0.00 C ATOM 0 H LEU A 29 4.231 -1.642 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 29 5.319 -1.511 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.722 -1.939 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.460 -2.053 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 29 5.163 -3.809 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.879 -5.605 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.327 -4.289 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.117 -4.419 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.569 -5.108 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.804 -3.927 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.098 -3.434 0.224 1.00 0.00 H new ATOM 489 N ILE A 30 6.106 0.853 -0.346 1.00 0.00 N ATOM 490 CA ILE A 30 6.475 2.299 -0.457 1.00 0.00 C ATOM 491 C ILE A 30 7.955 2.468 -0.134 1.00 0.00 C ATOM 492 O ILE A 30 8.440 1.978 0.864 1.00 0.00 O ATOM 493 CB ILE A 30 5.640 3.111 0.535 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.168 3.049 0.119 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.116 4.565 0.542 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.295 3.652 1.220 1.00 0.00 C ATOM 0 H ILE A 30 6.113 0.482 0.604 1.00 0.00 H new ATOM 0 HA ILE A 30 6.281 2.651 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 30 5.754 2.696 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.021 3.593 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.875 2.015 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.519 5.140 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.165 4.603 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.004 4.989 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.248 3.606 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.433 3.089 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.581 4.691 1.383 1.00 0.00 H new ATOM 508 N ARG A 31 8.674 3.161 -0.978 1.00 0.00 N ATOM 509 CA ARG A 31 10.135 3.381 -0.739 1.00 0.00 C ATOM 510 C ARG A 31 10.442 4.866 -0.915 1.00 0.00 C ATOM 511 O ARG A 31 10.117 5.462 -1.920 1.00 0.00 O ATOM 512 CB ARG A 31 10.941 2.561 -1.752 1.00 0.00 C ATOM 513 CG ARG A 31 10.798 1.071 -1.429 1.00 0.00 C ATOM 514 CD ARG A 31 11.579 0.243 -2.454 1.00 0.00 C ATOM 515 NE ARG A 31 11.407 -1.206 -2.149 1.00 0.00 N ATOM 516 CZ ARG A 31 12.189 -2.090 -2.706 1.00 0.00 C ATOM 517 NH1 ARG A 31 13.134 -1.707 -3.523 1.00 0.00 N ATOM 518 NH2 ARG A 31 12.026 -3.359 -2.447 1.00 0.00 N ATOM 0 H ARG A 31 8.310 3.588 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 31 10.403 3.068 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.586 2.761 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.991 2.852 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.170 0.869 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.746 0.786 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.223 0.459 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.635 0.510 -2.425 1.00 0.00 H new ATOM 0 HE ARG A 31 10.677 -1.507 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.262 -0.716 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.744 -2.399 -3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.288 -3.659 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.637 -4.051 -2.882 1.00 0.00 H new ATOM 532 N LYS A 32 11.059 5.470 0.062 1.00 0.00 N ATOM 533 CA LYS A 32 11.378 6.920 -0.040 1.00 0.00 C ATOM 534 C LYS A 32 12.653 7.112 -0.864 1.00 0.00 C ATOM 535 O LYS A 32 13.604 6.369 -0.739 1.00 0.00 O ATOM 536 CB LYS A 32 11.575 7.493 1.365 1.00 0.00 C ATOM 537 CG LYS A 32 11.814 8.999 1.274 1.00 0.00 C ATOM 538 CD LYS A 32 11.939 9.579 2.683 1.00 0.00 C ATOM 539 CE LYS A 32 12.170 11.088 2.595 1.00 0.00 C ATOM 540 NZ LYS A 32 10.969 11.740 1.998 1.00 0.00 N ATOM 0 H LYS A 32 11.356 5.021 0.928 1.00 0.00 H new ATOM 0 HA LYS A 32 10.557 7.441 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.697 7.290 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.422 7.009 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.721 9.201 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.991 9.478 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.034 9.372 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.766 9.104 3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.363 11.496 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.051 11.297 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.985 12.758 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.975 11.601 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.108 11.316 2.399 1.00 0.00 H new ATOM 554 N VAL A 33 12.672 8.104 -1.711 1.00 0.00 N ATOM 555 CA VAL A 33 13.873 8.353 -2.559 1.00 0.00 C ATOM 556 C VAL A 33 15.063 8.758 -1.686 1.00 0.00 C ATOM 557 O VAL A 33 14.945 9.573 -0.795 1.00 0.00 O ATOM 558 CB VAL A 33 13.558 9.478 -3.547 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.825 9.862 -4.315 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.489 8.993 -4.529 1.00 0.00 C ATOM 0 H VAL A 33 11.902 8.758 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 33 14.129 7.441 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 33 13.193 10.350 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.596 10.663 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.587 10.201 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.196 8.995 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.258 9.789 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.860 8.122 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.587 8.722 -3.980 1.00 0.00 H new ATOM 643 N THR A 39 14.782 -1.300 5.217 1.00 0.00 N ATOM 644 CA THR A 39 13.691 -2.305 5.316 1.00 0.00 C ATOM 645 C THR A 39 12.390 -1.730 4.716 1.00 0.00 C ATOM 646 O THR A 39 11.994 -0.630 5.047 1.00 0.00 O ATOM 647 CB THR A 39 13.467 -2.687 6.783 1.00 0.00 C ATOM 648 OG1 THR A 39 14.708 -3.065 7.367 1.00 0.00 O ATOM 649 CG2 THR A 39 12.491 -3.861 6.858 1.00 0.00 C ATOM 0 HA THR A 39 13.975 -3.196 4.756 1.00 0.00 H new ATOM 0 HB THR A 39 13.054 -1.835 7.324 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.422 -2.494 7.015 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.330 -4.134 7.901 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.541 -3.574 6.408 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.905 -4.713 6.319 1.00 0.00 H new ATOM 657 N PRO A 40 11.720 -2.461 3.838 1.00 0.00 N ATOM 658 CA PRO A 40 10.451 -1.985 3.202 1.00 0.00 C ATOM 659 C PRO A 40 9.264 -2.001 4.175 1.00 0.00 C ATOM 660 O PRO A 40 9.224 -2.781 5.104 1.00 0.00 O ATOM 661 CB PRO A 40 10.234 -2.974 2.046 1.00 0.00 C ATOM 662 CG PRO A 40 10.891 -4.239 2.496 1.00 0.00 C ATOM 663 CD PRO A 40 12.084 -3.813 3.353 1.00 0.00 C ATOM 0 HA PRO A 40 10.522 -0.948 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.173 -3.127 1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.678 -2.605 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.199 -4.855 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.216 -4.835 1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.246 -4.503 4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.005 -3.792 2.771 1.00 0.00 H new ATOM 671 N ILE A 41 8.298 -1.142 3.953 1.00 0.00 N ATOM 672 CA ILE A 41 7.095 -1.084 4.845 1.00 0.00 C ATOM 673 C ILE A 41 5.831 -1.144 3.975 1.00 0.00 C ATOM 674 O ILE A 41 5.306 -0.126 3.568 1.00 0.00 O ATOM 675 CB ILE A 41 7.099 0.233 5.634 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.404 0.360 6.452 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.881 0.275 6.566 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.316 -0.425 7.774 1.00 0.00 C ATOM 0 H ILE A 41 8.291 -0.472 3.184 1.00 0.00 H new ATOM 0 HA ILE A 41 7.114 -1.922 5.541 1.00 0.00 H new ATOM 0 HB ILE A 41 7.045 1.070 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.243 -0.010 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.602 1.411 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.884 1.210 7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.968 0.209 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.925 -0.564 7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.250 -0.315 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.493 -0.037 8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.143 -1.480 7.560 1.00 0.00 H new ATOM 690 N PRO A 42 5.341 -2.326 3.697 1.00 0.00 N ATOM 691 CA PRO A 42 4.115 -2.506 2.865 1.00 0.00 C ATOM 692 C PRO A 42 2.924 -1.738 3.445 1.00 0.00 C ATOM 693 O PRO A 42 2.791 -1.606 4.644 1.00 0.00 O ATOM 694 CB PRO A 42 3.859 -4.025 2.903 1.00 0.00 C ATOM 695 CG PRO A 42 5.175 -4.641 3.261 1.00 0.00 C ATOM 696 CD PRO A 42 5.903 -3.617 4.129 1.00 0.00 C ATOM 0 HA PRO A 42 4.244 -2.123 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.095 -4.276 3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.505 -4.388 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.033 -5.577 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.752 -4.873 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.727 -3.795 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.981 -3.656 3.974 1.00 0.00 H new ATOM 704 N THR A 43 2.065 -1.226 2.598 1.00 0.00 N ATOM 705 CA THR A 43 0.878 -0.452 3.081 1.00 0.00 C ATOM 706 C THR A 43 -0.409 -1.168 2.672 1.00 0.00 C ATOM 707 O THR A 43 -0.554 -1.629 1.555 1.00 0.00 O ATOM 708 CB THR A 43 0.901 0.953 2.466 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.348 1.591 2.694 1.00 0.00 O ATOM 710 CG2 THR A 43 1.165 0.864 0.960 1.00 0.00 C ATOM 0 H THR A 43 2.136 -1.312 1.584 1.00 0.00 H new ATOM 0 HA THR A 43 0.915 -0.376 4.168 1.00 0.00 H new ATOM 0 HB THR A 43 1.698 1.533 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.333 2.489 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.179 1.867 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.127 0.382 0.787 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.376 0.279 0.486 1.00 0.00 H new ATOM 718 N THR A 44 -1.340 -1.268 3.581 1.00 0.00 N ATOM 719 CA THR A 44 -2.636 -1.945 3.284 1.00 0.00 C ATOM 720 C THR A 44 -3.761 -1.124 3.900 1.00 0.00 C ATOM 721 O THR A 44 -3.521 -0.258 4.717 1.00 0.00 O ATOM 722 CB THR A 44 -2.641 -3.346 3.901 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.637 -3.233 5.318 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.402 -4.121 3.445 1.00 0.00 C ATOM 0 H THR A 44 -1.257 -0.904 4.530 1.00 0.00 H new ATOM 0 HA THR A 44 -2.772 -2.028 2.206 1.00 0.00 H new ATOM 0 HB THR A 44 -3.534 -3.881 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.932 -3.804 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.412 -5.117 3.888 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.406 -4.207 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.504 -3.592 3.764 1.00 0.00 H new ATOM 732 N TYR A 45 -4.988 -1.389 3.526 1.00 0.00 N ATOM 733 CA TYR A 45 -6.136 -0.624 4.102 1.00 0.00 C ATOM 734 C TYR A 45 -7.234 -1.619 4.524 1.00 0.00 C ATOM 735 O TYR A 45 -7.564 -2.521 3.778 1.00 0.00 O ATOM 736 CB TYR A 45 -6.684 0.337 3.035 1.00 0.00 C ATOM 737 CG TYR A 45 -7.445 1.462 3.704 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.771 2.353 4.549 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.822 1.610 3.488 1.00 0.00 C ATOM 740 CE1 TYR A 45 -7.471 3.389 5.176 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.521 2.648 4.113 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.846 3.537 4.958 1.00 0.00 C ATOM 743 OH TYR A 45 -9.535 4.558 5.579 1.00 0.00 O ATOM 0 H TYR A 45 -5.244 -2.104 2.845 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.811 -0.050 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.865 0.742 2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.339 -0.201 2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.710 2.240 4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.344 0.922 2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.951 4.075 5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.581 2.764 3.944 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.479 4.520 5.320 1.00 0.00 H new ATOM 753 N PRO A 46 -7.800 -1.475 5.709 1.00 0.00 N ATOM 754 CA PRO A 46 -8.869 -2.401 6.193 1.00 0.00 C ATOM 755 C PRO A 46 -10.212 -2.158 5.492 1.00 0.00 C ATOM 756 O PRO A 46 -11.059 -1.444 5.989 1.00 0.00 O ATOM 757 CB PRO A 46 -8.964 -2.095 7.695 1.00 0.00 C ATOM 758 CG PRO A 46 -8.522 -0.672 7.829 1.00 0.00 C ATOM 759 CD PRO A 46 -7.496 -0.433 6.716 1.00 0.00 C ATOM 0 HA PRO A 46 -8.632 -3.444 5.982 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.982 -2.228 8.061 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.327 -2.763 8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.368 0.009 7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.081 -0.493 8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.592 0.568 6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.476 -0.525 7.089 1.00 0.00 H new ATOM 767 N GLU A 47 -10.409 -2.754 4.343 1.00 0.00 N ATOM 768 CA GLU A 47 -11.696 -2.575 3.599 1.00 0.00 C ATOM 769 C GLU A 47 -12.115 -3.928 3.026 1.00 0.00 C ATOM 770 O GLU A 47 -13.250 -4.134 2.645 1.00 0.00 O ATOM 771 CB GLU A 47 -11.490 -1.571 2.464 1.00 0.00 C ATOM 772 CG GLU A 47 -12.842 -1.208 1.850 1.00 0.00 C ATOM 773 CD GLU A 47 -12.651 -0.125 0.789 1.00 0.00 C ATOM 774 OE1 GLU A 47 -11.570 0.441 0.734 1.00 0.00 O ATOM 775 OE2 GLU A 47 -13.592 0.131 0.057 1.00 0.00 O ATOM 0 H GLU A 47 -9.730 -3.361 3.884 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.471 -2.200 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.998 -0.675 2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.836 -1.996 1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.299 -2.091 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.522 -0.855 2.626 1.00 0.00 H new ATOM 782 N PHE A 48 -11.193 -4.846 2.985 1.00 0.00 N ATOM 783 CA PHE A 48 -11.485 -6.211 2.461 1.00 0.00 C ATOM 784 C PHE A 48 -11.987 -6.125 1.020 1.00 0.00 C ATOM 785 O PHE A 48 -12.999 -5.515 0.747 1.00 0.00 O ATOM 786 CB PHE A 48 -12.559 -6.873 3.331 1.00 0.00 C ATOM 787 CG PHE A 48 -12.312 -6.534 4.782 1.00 0.00 C ATOM 788 CD1 PHE A 48 -11.200 -7.063 5.446 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.198 -5.688 5.465 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.972 -6.747 6.789 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.970 -5.374 6.809 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.857 -5.903 7.472 1.00 0.00 C ATOM 0 H PHE A 48 -10.232 -4.707 3.298 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.570 -6.803 2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.549 -6.530 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.540 -7.954 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.518 -7.715 4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.057 -5.279 4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.112 -7.154 7.300 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.653 -4.723 7.335 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.680 -5.661 8.510 1.00 0.00 H new ATOM 802 N TYR A 49 -11.288 -6.744 0.099 1.00 0.00 N ATOM 803 CA TYR A 49 -11.721 -6.719 -1.335 1.00 0.00 C ATOM 804 C TYR A 49 -11.697 -8.140 -1.898 1.00 0.00 C ATOM 805 O TYR A 49 -10.755 -8.885 -1.713 1.00 0.00 O ATOM 806 CB TYR A 49 -10.780 -5.810 -2.143 1.00 0.00 C ATOM 807 CG TYR A 49 -11.304 -4.393 -2.114 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.373 -4.040 -2.946 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.737 -3.441 -1.262 1.00 0.00 C ATOM 810 CE1 TYR A 49 -12.874 -2.736 -2.926 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.237 -2.134 -1.242 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.306 -1.782 -2.074 1.00 0.00 C ATOM 813 OH TYR A 49 -12.800 -0.495 -2.059 1.00 0.00 O ATOM 0 H TYR A 49 -10.432 -7.268 0.280 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.735 -6.326 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.774 -5.846 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.710 -6.163 -3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.811 -4.776 -3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.913 -3.714 -0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.699 -2.464 -3.568 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.798 -1.398 -0.585 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.522 -0.430 -1.400 1.00 0.00 H new ATOM 823 N ASP A 50 -12.737 -8.510 -2.590 1.00 0.00 N ATOM 824 CA ASP A 50 -12.812 -9.871 -3.177 1.00 0.00 C ATOM 825 C ASP A 50 -12.101 -9.882 -4.528 1.00 0.00 C ATOM 826 O ASP A 50 -11.653 -10.909 -4.992 1.00 0.00 O ATOM 827 CB ASP A 50 -14.280 -10.242 -3.380 1.00 0.00 C ATOM 828 CG ASP A 50 -14.946 -10.458 -2.019 1.00 0.00 C ATOM 829 OD1 ASP A 50 -14.231 -10.496 -1.030 1.00 0.00 O ATOM 830 OD2 ASP A 50 -16.159 -10.582 -1.989 1.00 0.00 O ATOM 0 H ASP A 50 -13.547 -7.918 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.334 -10.587 -2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.794 -9.451 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.357 -11.147 -3.982 1.00 0.00 H new ATOM 835 N LEU A 51 -12.007 -8.745 -5.170 1.00 0.00 N ATOM 836 CA LEU A 51 -11.341 -8.684 -6.505 1.00 0.00 C ATOM 837 C LEU A 51 -9.892 -8.238 -6.341 1.00 0.00 C ATOM 838 O LEU A 51 -9.594 -7.215 -5.758 1.00 0.00 O ATOM 839 CB LEU A 51 -12.100 -7.685 -7.397 1.00 0.00 C ATOM 840 CG LEU A 51 -13.328 -8.357 -8.041 1.00 0.00 C ATOM 841 CD1 LEU A 51 -12.904 -9.311 -9.175 1.00 0.00 C ATOM 842 CD2 LEU A 51 -14.107 -9.137 -6.984 1.00 0.00 C ATOM 0 H LEU A 51 -12.364 -7.854 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.353 -9.671 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.417 -6.828 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.436 -7.306 -8.174 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.961 -7.576 -8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.789 -9.772 -9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.370 -8.750 -9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.252 -10.087 -8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.974 -9.610 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.464 -9.903 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.440 -8.456 -6.201 1.00 0.00 H new ATOM 854 N GLU A 52 -8.994 -9.016 -6.871 1.00 0.00 N ATOM 855 CA GLU A 52 -7.550 -8.682 -6.783 1.00 0.00 C ATOM 856 C GLU A 52 -7.273 -7.432 -7.624 1.00 0.00 C ATOM 857 O GLU A 52 -6.424 -6.627 -7.301 1.00 0.00 O ATOM 858 CB GLU A 52 -6.733 -9.870 -7.316 1.00 0.00 C ATOM 859 CG GLU A 52 -5.320 -9.847 -6.721 1.00 0.00 C ATOM 860 CD GLU A 52 -5.349 -10.425 -5.302 1.00 0.00 C ATOM 861 OE1 GLU A 52 -5.818 -9.738 -4.410 1.00 0.00 O ATOM 862 OE2 GLU A 52 -4.902 -11.548 -5.133 1.00 0.00 O ATOM 0 H GLU A 52 -9.203 -9.882 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.268 -8.485 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.229 -10.806 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.679 -9.825 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.642 -10.427 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.940 -8.826 -6.701 1.00 0.00 H new ATOM 869 N ALA A 53 -7.989 -7.275 -8.704 1.00 0.00 N ATOM 870 CA ALA A 53 -7.784 -6.092 -9.582 1.00 0.00 C ATOM 871 C ALA A 53 -8.057 -4.806 -8.800 1.00 0.00 C ATOM 872 O ALA A 53 -7.286 -3.867 -8.839 1.00 0.00 O ATOM 873 CB ALA A 53 -8.757 -6.185 -10.756 1.00 0.00 C ATOM 0 H ALA A 53 -8.713 -7.922 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.755 -6.075 -9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.620 -5.324 -11.411 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.566 -7.101 -11.315 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.780 -6.196 -10.381 1.00 0.00 H new ATOM 879 N ASP A 54 -9.148 -4.762 -8.090 1.00 0.00 N ATOM 880 CA ASP A 54 -9.485 -3.547 -7.306 1.00 0.00 C ATOM 881 C ASP A 54 -8.432 -3.338 -6.219 1.00 0.00 C ATOM 882 O ASP A 54 -8.093 -2.222 -5.876 1.00 0.00 O ATOM 883 CB ASP A 54 -10.862 -3.730 -6.667 1.00 0.00 C ATOM 884 CG ASP A 54 -11.382 -2.380 -6.176 1.00 0.00 C ATOM 885 OD1 ASP A 54 -11.785 -1.585 -7.009 1.00 0.00 O ATOM 886 OD2 ASP A 54 -11.371 -2.162 -4.978 1.00 0.00 O ATOM 0 H ASP A 54 -9.825 -5.522 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.502 -2.675 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.556 -4.157 -7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.798 -4.431 -5.835 1.00 0.00 H new ATOM 891 N ALA A 55 -7.914 -4.404 -5.679 1.00 0.00 N ATOM 892 CA ALA A 55 -6.884 -4.279 -4.613 1.00 0.00 C ATOM 893 C ALA A 55 -5.682 -3.504 -5.152 1.00 0.00 C ATOM 894 O ALA A 55 -5.133 -2.653 -4.482 1.00 0.00 O ATOM 895 CB ALA A 55 -6.441 -5.680 -4.189 1.00 0.00 C ATOM 0 H ALA A 55 -8.161 -5.361 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.299 -3.746 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.685 -5.602 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.300 -6.234 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.022 -6.204 -5.048 1.00 0.00 H new ATOM 901 N GLU A 56 -5.274 -3.789 -6.358 1.00 0.00 N ATOM 902 CA GLU A 56 -4.108 -3.069 -6.941 1.00 0.00 C ATOM 903 C GLU A 56 -4.440 -1.585 -7.098 1.00 0.00 C ATOM 904 O GLU A 56 -3.682 -0.721 -6.698 1.00 0.00 O ATOM 905 CB GLU A 56 -3.798 -3.655 -8.319 1.00 0.00 C ATOM 906 CG GLU A 56 -3.268 -5.082 -8.168 1.00 0.00 C ATOM 907 CD GLU A 56 -3.061 -5.691 -9.555 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.321 -5.002 -10.526 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.650 -6.837 -9.622 1.00 0.00 O ATOM 0 H GLU A 56 -5.698 -4.490 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.248 -3.181 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.697 -3.655 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.061 -3.036 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.328 -5.077 -7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.972 -5.685 -7.594 1.00 0.00 H new ATOM 916 N ARG A 57 -5.569 -1.285 -7.682 1.00 0.00 N ATOM 917 CA ARG A 57 -5.957 0.137 -7.881 1.00 0.00 C ATOM 918 C ARG A 57 -6.139 0.810 -6.519 1.00 0.00 C ATOM 919 O ARG A 57 -5.690 1.917 -6.298 1.00 0.00 O ATOM 920 CB ARG A 57 -7.275 0.192 -8.663 1.00 0.00 C ATOM 921 CG ARG A 57 -7.584 1.646 -9.098 1.00 0.00 C ATOM 922 CD ARG A 57 -7.180 1.856 -10.564 1.00 0.00 C ATOM 923 NE ARG A 57 -5.722 1.592 -10.720 1.00 0.00 N ATOM 924 CZ ARG A 57 -5.230 1.317 -11.899 1.00 0.00 C ATOM 925 NH1 ARG A 57 -6.017 1.261 -12.940 1.00 0.00 N ATOM 926 NH2 ARG A 57 -3.952 1.094 -12.034 1.00 0.00 N ATOM 0 H ARG A 57 -6.241 -1.969 -8.031 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.179 0.658 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.212 -0.451 -9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.088 -0.190 -8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.647 1.853 -8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.045 2.347 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.752 1.189 -11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.411 2.875 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.108 1.626 -9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.017 1.432 -12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.632 1.046 -13.860 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.338 1.134 -11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.566 0.879 -12.953 1.00 0.00 H new ATOM 940 N VAL A 58 -6.790 0.146 -5.604 1.00 0.00 N ATOM 941 CA VAL A 58 -7.003 0.738 -4.257 1.00 0.00 C ATOM 942 C VAL A 58 -5.651 0.927 -3.569 1.00 0.00 C ATOM 943 O VAL A 58 -5.403 1.935 -2.944 1.00 0.00 O ATOM 944 CB VAL A 58 -7.889 -0.194 -3.424 1.00 0.00 C ATOM 945 CG1 VAL A 58 -7.934 0.294 -1.973 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.307 -0.194 -4.002 1.00 0.00 C ATOM 0 H VAL A 58 -7.185 -0.786 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.496 1.706 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.478 -1.203 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.565 -0.372 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.926 0.298 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.343 1.304 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.940 -0.856 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.712 0.817 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.279 -0.543 -5.034 1.00 0.00 H new ATOM 956 N SER A 59 -4.776 -0.035 -3.678 1.00 0.00 N ATOM 957 CA SER A 59 -3.446 0.095 -3.024 1.00 0.00 C ATOM 958 C SER A 59 -2.803 1.417 -3.438 1.00 0.00 C ATOM 959 O SER A 59 -2.242 2.122 -2.621 1.00 0.00 O ATOM 960 CB SER A 59 -2.549 -1.061 -3.470 1.00 0.00 C ATOM 961 OG SER A 59 -3.190 -2.295 -3.177 1.00 0.00 O ATOM 0 H SER A 59 -4.926 -0.904 -4.191 1.00 0.00 H new ATOM 0 HA SER A 59 -3.569 0.071 -1.941 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.347 -0.988 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.587 -1.008 -2.960 1.00 0.00 H new ATOM 0 HG SER A 59 -3.657 -2.619 -3.975 1.00 0.00 H new ATOM 967 N ILE A 60 -2.885 1.767 -4.692 1.00 0.00 N ATOM 968 CA ILE A 60 -2.277 3.048 -5.141 1.00 0.00 C ATOM 969 C ILE A 60 -2.995 4.216 -4.456 1.00 0.00 C ATOM 970 O ILE A 60 -2.372 5.137 -3.960 1.00 0.00 O ATOM 971 CB ILE A 60 -2.433 3.162 -6.661 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.562 2.099 -7.338 1.00 0.00 C ATOM 973 CG2 ILE A 60 -1.996 4.553 -7.124 1.00 0.00 C ATOM 974 CD1 ILE A 60 -1.911 2.026 -8.825 1.00 0.00 C ATOM 0 H ILE A 60 -3.345 1.223 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.219 3.075 -4.878 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.478 3.008 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.507 2.344 -7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.722 1.129 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.109 4.629 -8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.615 5.309 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.952 4.714 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.292 1.270 -9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.962 1.761 -8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.728 2.995 -9.290 1.00 0.00 H new ATOM 986 N ALA A 61 -4.301 4.176 -4.415 1.00 0.00 N ATOM 987 CA ALA A 61 -5.067 5.274 -3.761 1.00 0.00 C ATOM 988 C ALA A 61 -4.758 5.297 -2.263 1.00 0.00 C ATOM 989 O ALA A 61 -4.452 6.331 -1.694 1.00 0.00 O ATOM 990 CB ALA A 61 -6.562 5.030 -3.969 1.00 0.00 C ATOM 0 H ALA A 61 -4.871 3.427 -4.808 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.783 6.231 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.131 5.829 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.783 5.013 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.840 4.074 -3.526 1.00 0.00 H new ATOM 996 N CYS A 62 -4.830 4.163 -1.623 1.00 0.00 N ATOM 997 CA CYS A 62 -4.546 4.104 -0.166 1.00 0.00 C ATOM 998 C CYS A 62 -3.105 4.533 0.080 1.00 0.00 C ATOM 999 O CYS A 62 -2.819 5.295 0.981 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.735 2.667 0.322 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.468 2.190 0.118 1.00 0.00 S ATOM 0 H CYS A 62 -5.075 3.270 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.224 4.768 0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.091 1.992 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.444 2.585 1.369 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.170 2.675 1.099 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.195 4.065 -0.729 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.771 4.444 -0.548 1.00 0.00 C ATOM 1009 C ALA A 63 -0.667 5.959 -0.407 1.00 0.00 C ATOM 1010 O ALA A 63 0.057 6.464 0.429 1.00 0.00 O ATOM 1011 CB ALA A 63 0.025 3.991 -1.773 1.00 0.00 C ATOM 0 H ALA A 63 -2.380 3.435 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.372 3.968 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.072 4.266 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.056 2.909 -1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.373 4.475 -2.665 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.392 6.689 -1.207 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.337 8.171 -1.108 1.00 0.00 C ATOM 1019 C LYS A 64 -1.838 8.604 0.274 1.00 0.00 C ATOM 1020 O LYS A 64 -1.263 9.466 0.909 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.234 8.779 -2.185 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.650 8.481 -3.567 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.570 9.062 -4.641 1.00 0.00 C ATOM 1024 CE LYS A 64 -2.000 8.754 -6.026 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.909 9.303 -7.072 1.00 0.00 N ATOM 0 H LYS A 64 -2.019 6.323 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.311 8.512 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.241 8.369 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.317 9.856 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.653 8.913 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.545 7.405 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.570 8.638 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.666 10.140 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.006 9.191 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.890 7.677 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.521 9.093 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.848 8.866 -6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.993 10.333 -6.953 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.912 8.016 0.736 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.465 8.390 2.072 1.00 0.00 C ATOM 1041 C ILE A 65 -2.473 7.993 3.175 1.00 0.00 C ATOM 1042 O ILE A 65 -2.215 8.753 4.086 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.811 7.659 2.281 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.939 8.378 1.505 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.170 7.625 3.776 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -5.907 7.973 0.028 1.00 0.00 C ATOM 0 H ILE A 65 -3.432 7.290 0.243 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.625 9.467 2.117 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.708 6.640 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.907 8.125 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.822 9.458 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.120 7.108 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.389 7.099 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.255 8.644 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.706 8.486 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.945 8.249 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.047 6.895 -0.057 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.928 6.809 3.107 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.973 6.363 4.158 1.00 0.00 C ATOM 1060 C ILE A 66 0.262 7.274 4.136 1.00 0.00 C ATOM 1061 O ILE A 66 0.735 7.706 5.168 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.577 4.891 3.891 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.689 3.937 4.390 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.734 4.556 4.619 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.832 3.876 3.370 1.00 0.00 C ATOM 0 H ILE A 66 -2.104 6.130 2.366 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.435 6.427 5.143 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.443 4.762 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.279 2.939 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.069 4.281 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.003 3.518 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.528 5.210 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.602 4.702 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.608 3.202 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.252 4.873 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.450 3.510 2.417 1.00 0.00 H new ATOM 1077 N ILE A 67 0.781 7.575 2.979 1.00 0.00 N ATOM 1078 CA ILE A 67 1.977 8.459 2.915 1.00 0.00 C ATOM 1079 C ILE A 67 1.612 9.837 3.472 1.00 0.00 C ATOM 1080 O ILE A 67 2.339 10.415 4.259 1.00 0.00 O ATOM 1081 CB ILE A 67 2.407 8.594 1.451 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.939 7.248 0.954 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.504 9.654 1.331 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.028 7.266 -0.573 1.00 0.00 C ATOM 0 H ILE A 67 0.430 7.249 2.078 1.00 0.00 H new ATOM 0 HA ILE A 67 2.792 8.036 3.503 1.00 0.00 H new ATOM 0 HB ILE A 67 1.551 8.894 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.921 7.052 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.282 6.442 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.807 9.747 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.124 10.612 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.363 9.359 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.407 6.307 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.038 7.442 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.703 8.062 -0.889 1.00 0.00 H new ATOM 1096 N ASP A 68 0.483 10.359 3.078 1.00 0.00 N ATOM 1097 CA ASP A 68 0.054 11.690 3.583 1.00 0.00 C ATOM 1098 C ASP A 68 -0.204 11.609 5.087 1.00 0.00 C ATOM 1099 O ASP A 68 0.200 12.470 5.844 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.231 12.099 2.862 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.728 13.435 3.411 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.977 14.074 4.128 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.852 13.798 3.102 1.00 0.00 O ATOM 0 H ASP A 68 -0.163 9.917 2.424 1.00 0.00 H new ATOM 0 HA ASP A 68 0.835 12.427 3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.048 12.181 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.995 11.333 2.997 1.00 0.00 H new ATOM 1108 N SER A 69 -0.873 10.577 5.521 1.00 0.00 N ATOM 1109 CA SER A 69 -1.165 10.423 6.970 1.00 0.00 C ATOM 1110 C SER A 69 0.144 10.264 7.744 1.00 0.00 C ATOM 1111 O SER A 69 0.283 10.746 8.847 1.00 0.00 O ATOM 1112 CB SER A 69 -2.041 9.189 7.180 1.00 0.00 C ATOM 1113 OG SER A 69 -3.348 9.462 6.692 1.00 0.00 O ATOM 0 H SER A 69 -1.232 9.829 4.928 1.00 0.00 H new ATOM 0 HA SER A 69 -1.689 11.307 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.616 8.332 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.080 8.931 8.238 1.00 0.00 H new ATOM 0 HG SER A 69 -3.376 9.304 5.725 1.00 0.00 H new ATOM 1119 N HIS A 70 1.102 9.585 7.178 1.00 0.00 N ATOM 1120 CA HIS A 70 2.392 9.394 7.891 1.00 0.00 C ATOM 1121 C HIS A 70 2.997 10.759 8.229 1.00 0.00 C ATOM 1122 O HIS A 70 3.380 11.014 9.353 1.00 0.00 O ATOM 1123 CB HIS A 70 3.354 8.611 6.982 1.00 0.00 C ATOM 1124 CG HIS A 70 4.753 8.674 7.537 1.00 0.00 C ATOM 1125 ND1 HIS A 70 5.032 8.416 8.869 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.957 8.981 6.953 1.00 0.00 C ATOM 1127 CE1 HIS A 70 6.358 8.573 9.042 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.968 8.916 7.905 1.00 0.00 N ATOM 0 H HIS A 70 1.046 9.155 6.255 1.00 0.00 H new ATOM 0 HA HIS A 70 2.226 8.839 8.814 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.031 7.573 6.905 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.335 9.026 5.974 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.097 9.234 5.913 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.866 8.438 9.985 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.963 9.093 7.765 1.00 0.00 H new ATOM 1136 N LEU A 71 3.094 11.628 7.264 1.00 0.00 N ATOM 1137 CA LEU A 71 3.684 12.969 7.528 1.00 0.00 C ATOM 1138 C LEU A 71 2.780 13.767 8.470 1.00 0.00 C ATOM 1139 O LEU A 71 3.248 14.437 9.368 1.00 0.00 O ATOM 1140 CB LEU A 71 3.836 13.711 6.199 1.00 0.00 C ATOM 1141 CG LEU A 71 4.883 13.001 5.329 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.852 13.608 3.926 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.293 13.160 5.936 1.00 0.00 C ATOM 0 H LEU A 71 2.790 11.468 6.303 1.00 0.00 H new ATOM 0 HA LEU A 71 4.659 12.853 8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.879 13.745 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.138 14.743 6.379 1.00 0.00 H new ATOM 0 HG LEU A 71 4.649 11.937 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.592 13.111 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.861 13.474 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.081 14.672 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.021 12.650 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.545 14.219 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.310 12.724 6.935 1.00 0.00 H new ATOM 1155 N ASP A 72 1.491 13.710 8.265 1.00 0.00 N ATOM 1156 CA ASP A 72 0.554 14.478 9.138 1.00 0.00 C ATOM 1157 C ASP A 72 0.118 13.623 10.329 1.00 0.00 C ATOM 1158 O ASP A 72 0.432 13.918 11.464 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.685 14.857 8.324 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.317 15.928 7.295 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.788 16.438 7.367 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.148 16.219 6.451 1.00 0.00 O ATOM 0 H ASP A 72 1.045 13.163 7.529 1.00 0.00 H new ATOM 0 HA ASP A 72 1.060 15.372 9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.085 13.977 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.468 15.228 8.986 1.00 0.00 H new ATOM 1237 N GLY A 77 3.886 4.954 10.880 1.00 0.00 N ATOM 1238 CA GLY A 77 3.902 4.322 9.529 1.00 0.00 C ATOM 1239 C GLY A 77 5.105 4.819 8.721 1.00 0.00 C ATOM 1240 O GLY A 77 5.483 5.971 8.794 1.00 0.00 O ATOM 0 HA2 GLY A 77 3.946 3.237 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.978 4.557 9.000 1.00 0.00 H new ATOM 1244 N LEU A 78 5.700 3.953 7.943 1.00 0.00 N ATOM 1245 CA LEU A 78 6.872 4.357 7.115 1.00 0.00 C ATOM 1246 C LEU A 78 7.947 4.967 8.019 1.00 0.00 C ATOM 1247 O LEU A 78 8.818 5.684 7.570 1.00 0.00 O ATOM 1248 CB LEU A 78 6.426 5.386 6.068 1.00 0.00 C ATOM 1249 CG LEU A 78 5.141 4.902 5.383 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.781 5.851 4.236 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.344 3.487 4.832 1.00 0.00 C ATOM 0 H LEU A 78 5.421 2.977 7.846 1.00 0.00 H new ATOM 0 HA LEU A 78 7.282 3.484 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.255 6.352 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.213 5.530 5.327 1.00 0.00 H new ATOM 0 HG LEU A 78 4.331 4.889 6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.868 5.505 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.625 6.855 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.594 5.869 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.428 3.150 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.157 3.492 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.592 2.810 5.650 1.00 0.00 H new ATOM 1263 N ALA A 79 7.892 4.677 9.294 1.00 0.00 N ATOM 1264 CA ALA A 79 8.906 5.227 10.238 1.00 0.00 C ATOM 1265 C ALA A 79 10.290 4.685 9.880 1.00 0.00 C ATOM 1266 O ALA A 79 11.280 5.384 9.960 1.00 0.00 O ATOM 1267 CB ALA A 79 8.548 4.796 11.663 1.00 0.00 C ATOM 0 H ALA A 79 7.184 4.080 9.722 1.00 0.00 H new ATOM 0 HA ALA A 79 8.916 6.315 10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.285 5.195 12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.561 5.178 11.922 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.543 3.708 11.723 1.00 0.00 H new ATOM 1273 N ASP A 80 10.365 3.444 9.483 1.00 0.00 N ATOM 1274 CA ASP A 80 11.681 2.851 9.121 1.00 0.00 C ATOM 1275 C ASP A 80 12.261 3.594 7.920 1.00 0.00 C ATOM 1276 O ASP A 80 13.453 3.811 7.832 1.00 0.00 O ATOM 1277 CB ASP A 80 11.493 1.378 8.756 1.00 0.00 C ATOM 1278 CG ASP A 80 11.230 0.564 10.025 1.00 0.00 C ATOM 1279 OD1 ASP A 80 11.353 1.127 11.102 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.915 -0.608 9.901 1.00 0.00 O ATOM 0 H ASP A 80 9.568 2.814 9.394 1.00 0.00 H new ATOM 0 HA ASP A 80 12.361 2.936 9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.659 1.268 8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.382 1.002 8.249 1.00 0.00 H new ATOM 1285 N LEU A 81 11.430 3.983 6.994 1.00 0.00 N ATOM 1286 CA LEU A 81 11.933 4.704 5.794 1.00 0.00 C ATOM 1287 C LEU A 81 12.110 6.186 6.128 1.00 0.00 C ATOM 1288 O LEU A 81 12.580 6.960 5.319 1.00 0.00 O ATOM 1289 CB LEU A 81 10.918 4.557 4.657 1.00 0.00 C ATOM 1290 CG LEU A 81 10.548 3.080 4.481 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.515 2.946 3.360 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.801 2.265 4.125 1.00 0.00 C ATOM 0 H LEU A 81 10.422 3.832 7.017 1.00 0.00 H new ATOM 0 HA LEU A 81 12.891 4.284 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.025 5.142 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.336 4.950 3.730 1.00 0.00 H new ATOM 0 HG LEU A 81 10.129 2.701 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.250 1.896 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.623 3.517 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.935 3.329 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.530 1.216 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.228 2.641 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.535 2.358 4.925 1.00 0.00 H new ATOM 1304 N GLY A 82 11.741 6.586 7.314 1.00 0.00 N ATOM 1305 CA GLY A 82 11.893 8.019 7.694 1.00 0.00 C ATOM 1306 C GLY A 82 11.089 8.298 8.966 1.00 0.00 C ATOM 1307 O GLY A 82 9.876 8.182 8.914 1.00 0.00 O ATOM 1308 OXT GLY A 82 11.702 8.625 9.970 1.00 0.00 O ATOM 0 H GLY A 82 11.342 5.984 8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.945 8.253 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.546 8.660 6.884 1.00 0.00 H new