USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 50 ASN : amide:sc= 1.38 K(o=-0.051,f=-9.8!) USER MOD Set 1.2: A 58 THR OG1 : rot -110:sc= -1.43 USER MOD Set 2.1: A 10 THR OG1 : rot -151:sc= -0.919 USER MOD Set 2.2: A 11 THR OG1 : rot 76:sc= 1.01 USER MOD Set 2.3: A 14 CYS SG : rot -16:sc= 1.83 USER MOD Set 2.4: A 17 CYS SG : rot -40:sc= -0.486 USER MOD Set 3.1: A 9 TYR OH : rot 30:sc= 0.896 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -157:sc= 1.06 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -29:sc= 0.0137 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= 1.19 (180deg=-0.166) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 25 THR OG1 : rot 80:sc= 0.212 USER MOD Single : A 27 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0052) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.043) USER MOD Single : A 39 ASN : amide:sc= 0.449 K(o=0.45,f=-0.21) USER MOD Single : A 48 SER OG : rot 88:sc= 1.21 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 55 THR OG1 : rot -22:sc= 0.0846 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 69 ASN : amide:sc= -0.0545 K(o=-0.054,f=-1.4) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= -1.76! (180deg=-1.88!) USER MOD Single : A 81 LYS NZ :NH3+ -118:sc= 0.835 (180deg=-0.175) USER MOD ----------------------------------------------------------------- ATOM 50 N ALA A 4 5.249 5.968 8.636 1.00 0.00 N ATOM 51 CA ALA A 4 4.235 5.778 7.638 1.00 0.00 C ATOM 52 C ALA A 4 4.887 5.733 6.270 1.00 0.00 C ATOM 53 O ALA A 4 4.900 6.722 5.527 1.00 0.00 O ATOM 54 CB ALA A 4 3.150 6.847 7.718 1.00 0.00 C ATOM 0 HA ALA A 4 3.732 4.828 7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.403 6.666 6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.675 6.810 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.596 7.830 7.568 1.00 0.00 H new ATOM 60 N ALA A 5 5.517 4.601 6.004 1.00 0.00 N ATOM 61 CA ALA A 5 6.213 4.338 4.753 1.00 0.00 C ATOM 62 C ALA A 5 5.223 4.334 3.600 1.00 0.00 C ATOM 63 O ALA A 5 5.433 4.977 2.560 1.00 0.00 O ATOM 64 CB ALA A 5 6.925 2.999 4.859 1.00 0.00 C ATOM 0 H ALA A 5 5.561 3.824 6.663 1.00 0.00 H new ATOM 0 HA ALA A 5 6.949 5.120 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.450 2.791 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.642 3.032 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.194 2.212 5.047 1.00 0.00 H new ATOM 70 N LEU A 6 4.160 3.599 3.796 1.00 0.00 N ATOM 71 CA LEU A 6 3.056 3.553 2.887 1.00 0.00 C ATOM 72 C LEU A 6 1.822 3.239 3.668 1.00 0.00 C ATOM 73 O LEU A 6 1.867 2.465 4.635 1.00 0.00 O ATOM 74 CB LEU A 6 3.228 2.549 1.712 1.00 0.00 C ATOM 75 CG LEU A 6 3.422 1.059 2.057 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.153 0.210 0.843 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.832 0.791 2.535 1.00 0.00 C ATOM 0 H LEU A 6 4.040 3.002 4.614 1.00 0.00 H new ATOM 0 HA LEU A 6 2.989 4.530 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.351 2.632 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.086 2.870 1.121 1.00 0.00 H new ATOM 0 HG LEU A 6 2.722 0.807 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.292 -0.841 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.128 0.370 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.843 0.486 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.941 -0.267 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.540 1.063 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.033 1.384 3.427 1.00 0.00 H new ATOM 89 N THR A 7 0.761 3.866 3.310 1.00 0.00 N ATOM 90 CA THR A 7 -0.484 3.666 3.948 1.00 0.00 C ATOM 91 C THR A 7 -1.401 2.864 3.029 1.00 0.00 C ATOM 92 O THR A 7 -1.610 3.226 1.861 1.00 0.00 O ATOM 93 CB THR A 7 -1.106 5.019 4.310 1.00 0.00 C ATOM 94 OG1 THR A 7 -0.108 5.795 5.002 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.302 4.831 5.230 1.00 0.00 C ATOM 0 H THR A 7 0.736 4.546 2.550 1.00 0.00 H new ATOM 0 HA THR A 7 -0.342 3.103 4.871 1.00 0.00 H new ATOM 0 HB THR A 7 -1.440 5.520 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.482 6.668 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.729 5.803 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.054 4.220 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.982 4.334 6.146 1.00 0.00 H new ATOM 103 N ILE A 8 -1.877 1.769 3.542 1.00 0.00 N ATOM 104 CA ILE A 8 -2.740 0.872 2.839 1.00 0.00 C ATOM 105 C ILE A 8 -4.189 1.266 3.027 1.00 0.00 C ATOM 106 O ILE A 8 -4.677 1.378 4.161 1.00 0.00 O ATOM 107 CB ILE A 8 -2.526 -0.601 3.317 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.141 -1.118 2.914 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.624 -1.521 2.812 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.835 -2.513 3.411 1.00 0.00 C ATOM 0 H ILE A 8 -1.667 1.467 4.493 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.491 0.935 1.780 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.579 -0.600 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.062 -1.106 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.384 -0.433 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.440 -2.536 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.588 -1.176 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.633 -1.512 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.163 -2.805 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.879 -2.529 4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.568 -3.212 3.008 1.00 0.00 H new ATOM 122 N TYR A 9 -4.844 1.508 1.927 1.00 0.00 N ATOM 123 CA TYR A 9 -6.249 1.769 1.913 1.00 0.00 C ATOM 124 C TYR A 9 -6.962 0.522 1.524 1.00 0.00 C ATOM 125 O TYR A 9 -6.833 0.055 0.395 1.00 0.00 O ATOM 126 CB TYR A 9 -6.595 2.901 0.963 1.00 0.00 C ATOM 127 CG TYR A 9 -6.007 4.216 1.364 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.431 4.852 2.516 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.040 4.827 0.596 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.906 6.063 2.893 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.512 6.035 0.966 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.946 6.651 2.111 1.00 0.00 C ATOM 133 OH TYR A 9 -4.412 7.859 2.474 1.00 0.00 O ATOM 0 H TYR A 9 -4.408 1.529 1.005 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.562 2.081 2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.245 2.645 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.679 2.999 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.189 4.388 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.695 4.348 -0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.246 6.547 3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.754 6.502 0.356 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.423 7.941 3.450 1.00 0.00 H new ATOM 143 N THR A 10 -7.671 -0.032 2.455 1.00 0.00 N ATOM 144 CA THR A 10 -8.365 -1.257 2.253 1.00 0.00 C ATOM 145 C THR A 10 -9.656 -1.223 3.062 1.00 0.00 C ATOM 146 O THR A 10 -9.903 -0.265 3.812 1.00 0.00 O ATOM 147 CB THR A 10 -7.467 -2.470 2.684 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.121 -3.715 2.412 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.109 -2.399 4.172 1.00 0.00 C ATOM 0 H THR A 10 -7.784 0.362 3.389 1.00 0.00 H new ATOM 0 HA THR A 10 -8.602 -1.380 1.196 1.00 0.00 H new ATOM 0 HB THR A 10 -6.549 -2.412 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.814 -4.392 3.051 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.487 -3.254 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.563 -1.477 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.022 -2.416 4.767 1.00 0.00 H new ATOM 157 N THR A 11 -10.470 -2.225 2.895 1.00 0.00 N ATOM 158 CA THR A 11 -11.692 -2.353 3.627 1.00 0.00 C ATOM 159 C THR A 11 -11.745 -3.775 4.172 1.00 0.00 C ATOM 160 O THR A 11 -11.025 -4.653 3.670 1.00 0.00 O ATOM 161 CB THR A 11 -12.896 -2.102 2.714 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.459 -1.455 1.521 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.867 -1.186 3.413 1.00 0.00 C ATOM 0 H THR A 11 -10.299 -2.985 2.237 1.00 0.00 H new ATOM 0 HA THR A 11 -11.728 -1.621 4.434 1.00 0.00 H new ATOM 0 HB THR A 11 -13.371 -3.054 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.015 -2.107 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.726 -1.005 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.202 -1.651 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.376 -0.239 3.638 1.00 0.00 H new ATOM 171 N SER A 12 -12.584 -4.020 5.156 1.00 0.00 N ATOM 172 CA SER A 12 -12.673 -5.326 5.796 1.00 0.00 C ATOM 173 C SER A 12 -13.226 -6.404 4.832 1.00 0.00 C ATOM 174 O SER A 12 -13.087 -7.600 5.079 1.00 0.00 O ATOM 175 CB SER A 12 -13.532 -5.221 7.075 1.00 0.00 C ATOM 176 OG SER A 12 -13.523 -6.429 7.833 1.00 0.00 O ATOM 0 H SER A 12 -13.225 -3.324 5.538 1.00 0.00 H new ATOM 0 HA SER A 12 -11.667 -5.642 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.161 -4.404 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.558 -4.974 6.802 1.00 0.00 H new ATOM 0 HG SER A 12 -13.387 -7.191 7.232 1.00 0.00 H new ATOM 182 N TRP A 13 -13.825 -5.974 3.742 1.00 0.00 N ATOM 183 CA TRP A 13 -14.375 -6.891 2.755 1.00 0.00 C ATOM 184 C TRP A 13 -13.441 -7.090 1.554 1.00 0.00 C ATOM 185 O TRP A 13 -13.802 -7.751 0.583 1.00 0.00 O ATOM 186 CB TRP A 13 -15.774 -6.434 2.304 1.00 0.00 C ATOM 187 CG TRP A 13 -15.872 -4.973 1.965 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.382 -4.000 2.767 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.448 -4.316 0.753 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.299 -2.790 2.150 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.733 -2.951 0.906 1.00 0.00 C ATOM 192 CE3 TRP A 13 -14.854 -4.749 -0.438 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -15.445 -2.013 -0.086 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -14.571 -3.820 -1.418 1.00 0.00 C ATOM 195 CH2 TRP A 13 -14.865 -2.467 -1.237 1.00 0.00 C ATOM 0 H TRP A 13 -13.946 -4.988 3.512 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.470 -7.863 3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.069 -7.017 1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.489 -6.659 3.095 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.794 -4.164 3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.608 -1.903 2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.621 -5.793 -0.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -15.672 -0.966 0.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.114 -4.145 -2.341 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -14.629 -1.765 -2.023 1.00 0.00 H new ATOM 206 N CYS A 14 -12.254 -6.524 1.613 1.00 0.00 N ATOM 207 CA CYS A 14 -11.312 -6.668 0.520 1.00 0.00 C ATOM 208 C CYS A 14 -10.576 -7.997 0.614 1.00 0.00 C ATOM 209 O CYS A 14 -9.790 -8.219 1.538 1.00 0.00 O ATOM 210 CB CYS A 14 -10.313 -5.511 0.498 1.00 0.00 C ATOM 211 SG CYS A 14 -11.051 -3.894 0.212 1.00 0.00 S ATOM 0 H CYS A 14 -11.919 -5.965 2.398 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.878 -6.648 -0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.779 -5.490 1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.573 -5.701 -0.279 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.254 -4.043 -0.259 1.00 0.00 H new ATOM 217 N GLY A 15 -10.832 -8.873 -0.337 1.00 0.00 N ATOM 218 CA GLY A 15 -10.174 -10.159 -0.377 1.00 0.00 C ATOM 219 C GLY A 15 -8.696 -10.025 -0.683 1.00 0.00 C ATOM 220 O GLY A 15 -7.881 -10.853 -0.262 1.00 0.00 O ATOM 0 H GLY A 15 -11.495 -8.714 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.303 -10.663 0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.647 -10.786 -1.133 1.00 0.00 H new ATOM 224 N TYR A 16 -8.340 -8.970 -1.390 1.00 0.00 N ATOM 225 CA TYR A 16 -6.955 -8.715 -1.707 1.00 0.00 C ATOM 226 C TYR A 16 -6.175 -8.139 -0.528 1.00 0.00 C ATOM 227 O TYR A 16 -4.956 -8.031 -0.592 1.00 0.00 O ATOM 228 CB TYR A 16 -6.790 -7.852 -2.965 1.00 0.00 C ATOM 229 CG TYR A 16 -6.988 -8.617 -4.252 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.152 -9.672 -4.559 1.00 0.00 C ATOM 231 CD2 TYR A 16 -8.007 -8.309 -5.142 1.00 0.00 C ATOM 232 CE1 TYR A 16 -6.307 -10.403 -5.706 1.00 0.00 C ATOM 233 CE2 TYR A 16 -8.178 -9.046 -6.302 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.318 -10.095 -6.576 1.00 0.00 C ATOM 235 OH TYR A 16 -7.478 -10.849 -7.720 1.00 0.00 O ATOM 0 H TYR A 16 -8.994 -8.277 -1.754 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.519 -9.690 -1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.504 -7.029 -2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.794 -7.410 -2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.355 -9.927 -3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.673 -7.486 -4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.634 -11.219 -5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.977 -8.804 -6.988 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.239 -10.507 -8.234 1.00 0.00 H new ATOM 245 N CYS A 17 -6.873 -7.807 0.552 1.00 0.00 N ATOM 246 CA CYS A 17 -6.236 -7.244 1.734 1.00 0.00 C ATOM 247 C CYS A 17 -5.309 -8.268 2.378 1.00 0.00 C ATOM 248 O CYS A 17 -4.091 -8.091 2.402 1.00 0.00 O ATOM 249 CB CYS A 17 -7.289 -6.772 2.739 1.00 0.00 C ATOM 250 SG CYS A 17 -6.623 -6.075 4.264 1.00 0.00 S ATOM 0 H CYS A 17 -7.884 -7.919 0.632 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.642 -6.383 1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.919 -6.023 2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.932 -7.615 2.992 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.598 -6.775 4.650 1.00 0.00 H new ATOM 256 N LEU A 18 -5.882 -9.375 2.822 1.00 0.00 N ATOM 257 CA LEU A 18 -5.131 -10.436 3.492 1.00 0.00 C ATOM 258 C LEU A 18 -4.168 -11.149 2.539 1.00 0.00 C ATOM 259 O LEU A 18 -3.193 -11.793 2.952 1.00 0.00 O ATOM 260 CB LEU A 18 -6.090 -11.398 4.230 1.00 0.00 C ATOM 261 CG LEU A 18 -7.359 -11.877 3.472 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.036 -12.757 2.280 1.00 0.00 C ATOM 263 CD2 LEU A 18 -8.315 -12.583 4.415 1.00 0.00 C ATOM 0 H LEU A 18 -6.879 -9.568 2.731 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.496 -9.980 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.521 -12.281 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.413 -10.909 5.149 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.844 -10.983 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.961 -13.061 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.418 -12.202 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.496 -13.642 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.196 -12.910 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.820 -13.449 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.617 -11.898 5.207 1.00 0.00 H new ATOM 275 N ARG A 19 -4.467 -11.022 1.272 1.00 0.00 N ATOM 276 CA ARG A 19 -3.663 -11.551 0.204 1.00 0.00 C ATOM 277 C ARG A 19 -2.333 -10.806 0.169 1.00 0.00 C ATOM 278 O ARG A 19 -1.274 -11.400 0.054 1.00 0.00 O ATOM 279 CB ARG A 19 -4.416 -11.311 -1.109 1.00 0.00 C ATOM 280 CG ARG A 19 -3.718 -11.772 -2.373 1.00 0.00 C ATOM 281 CD ARG A 19 -3.609 -13.270 -2.444 1.00 0.00 C ATOM 282 NE ARG A 19 -3.072 -13.686 -3.733 1.00 0.00 N ATOM 283 CZ ARG A 19 -3.673 -14.531 -4.576 1.00 0.00 C ATOM 284 NH1 ARG A 19 -4.767 -15.196 -4.212 1.00 0.00 N ATOM 285 NH2 ARG A 19 -3.161 -14.729 -5.769 1.00 0.00 N ATOM 0 H ARG A 19 -5.301 -10.533 0.947 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.476 -12.615 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.381 -11.814 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.618 -10.244 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.265 -11.407 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.721 -11.334 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.965 -13.631 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.590 -13.719 -2.291 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.169 -13.303 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.157 -15.064 -3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.215 -15.838 -4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.310 -14.239 -6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.614 -15.372 -6.418 1.00 0.00 H new ATOM 299 N LEU A 20 -2.421 -9.510 0.311 1.00 0.00 N ATOM 300 CA LEU A 20 -1.280 -8.646 0.205 1.00 0.00 C ATOM 301 C LEU A 20 -0.511 -8.519 1.534 1.00 0.00 C ATOM 302 O LEU A 20 0.717 -8.376 1.530 1.00 0.00 O ATOM 303 CB LEU A 20 -1.742 -7.286 -0.309 1.00 0.00 C ATOM 304 CG LEU A 20 -0.677 -6.220 -0.518 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.405 -6.675 -1.493 1.00 0.00 C ATOM 306 CD2 LEU A 20 -1.310 -4.928 -0.985 1.00 0.00 C ATOM 0 H LEU A 20 -3.295 -9.022 0.505 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.575 -9.084 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.255 -7.441 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.479 -6.893 0.391 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.192 -6.048 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.144 -5.883 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.892 -7.570 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.047 -6.898 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.535 -4.175 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.832 -5.098 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.020 -4.579 -0.235 1.00 0.00 H new ATOM 318 N LYS A 21 -1.231 -8.582 2.656 1.00 0.00 N ATOM 319 CA LYS A 21 -0.618 -8.456 3.998 1.00 0.00 C ATOM 320 C LYS A 21 0.534 -9.436 4.189 1.00 0.00 C ATOM 321 O LYS A 21 1.633 -9.050 4.597 1.00 0.00 O ATOM 322 CB LYS A 21 -1.652 -8.692 5.106 1.00 0.00 C ATOM 323 CG LYS A 21 -2.793 -7.691 5.156 1.00 0.00 C ATOM 324 CD LYS A 21 -2.300 -6.276 5.406 1.00 0.00 C ATOM 325 CE LYS A 21 -3.460 -5.319 5.666 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.252 -5.710 6.860 1.00 0.00 N ATOM 0 H LYS A 21 -2.242 -8.720 2.671 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.234 -7.438 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.072 -9.690 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.138 -8.680 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.344 -7.722 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.491 -7.976 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.624 -6.271 6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.728 -5.931 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.072 -4.310 5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.111 -5.294 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.755 -4.878 7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.942 -6.442 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.615 -6.084 7.592 1.00 0.00 H new ATOM 340 N THR A 22 0.281 -10.677 3.848 1.00 0.00 N ATOM 341 CA THR A 22 1.239 -11.741 4.005 1.00 0.00 C ATOM 342 C THR A 22 2.480 -11.527 3.128 1.00 0.00 C ATOM 343 O THR A 22 3.614 -11.753 3.567 1.00 0.00 O ATOM 344 CB THR A 22 0.567 -13.089 3.690 1.00 0.00 C ATOM 345 OG1 THR A 22 -0.262 -12.941 2.517 1.00 0.00 O ATOM 346 CG2 THR A 22 -0.289 -13.551 4.857 1.00 0.00 C ATOM 0 H THR A 22 -0.608 -10.978 3.449 1.00 0.00 H new ATOM 0 HA THR A 22 1.582 -11.744 5.040 1.00 0.00 H new ATOM 0 HB THR A 22 1.342 -13.835 3.513 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.692 -13.797 2.310 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.754 -14.506 4.612 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.336 -13.669 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.064 -12.810 5.056 1.00 0.00 H new ATOM 354 N ALA A 23 2.257 -11.029 1.921 1.00 0.00 N ATOM 355 CA ALA A 23 3.323 -10.791 0.963 1.00 0.00 C ATOM 356 C ALA A 23 4.288 -9.720 1.467 1.00 0.00 C ATOM 357 O ALA A 23 5.508 -9.848 1.312 1.00 0.00 O ATOM 358 CB ALA A 23 2.745 -10.401 -0.391 1.00 0.00 C ATOM 0 H ALA A 23 1.329 -10.778 1.579 1.00 0.00 H new ATOM 0 HA ALA A 23 3.885 -11.718 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.557 -10.226 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.110 -11.206 -0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.154 -9.491 -0.286 1.00 0.00 H new ATOM 364 N LEU A 24 3.751 -8.689 2.099 1.00 0.00 N ATOM 365 CA LEU A 24 4.578 -7.599 2.609 1.00 0.00 C ATOM 366 C LEU A 24 5.420 -8.055 3.791 1.00 0.00 C ATOM 367 O LEU A 24 6.635 -7.817 3.826 1.00 0.00 O ATOM 368 CB LEU A 24 3.745 -6.377 3.000 1.00 0.00 C ATOM 369 CG LEU A 24 2.925 -5.671 1.903 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.176 -4.499 2.509 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.802 -5.166 0.768 1.00 0.00 C ATOM 0 H LEU A 24 2.752 -8.581 2.272 1.00 0.00 H new ATOM 0 HA LEU A 24 5.241 -7.305 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.055 -6.683 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.420 -5.641 3.437 1.00 0.00 H new ATOM 0 HG LEU A 24 2.229 -6.402 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.595 -3.998 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.505 -4.860 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.888 -3.796 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.181 -4.676 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.529 -4.454 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.326 -6.006 0.312 1.00 0.00 H new ATOM 383 N THR A 25 4.793 -8.730 4.734 1.00 0.00 N ATOM 384 CA THR A 25 5.482 -9.219 5.913 1.00 0.00 C ATOM 385 C THR A 25 6.601 -10.224 5.522 1.00 0.00 C ATOM 386 O THR A 25 7.714 -10.190 6.072 1.00 0.00 O ATOM 387 CB THR A 25 4.470 -9.859 6.887 1.00 0.00 C ATOM 388 OG1 THR A 25 3.415 -8.909 7.150 1.00 0.00 O ATOM 389 CG2 THR A 25 5.134 -10.237 8.206 1.00 0.00 C ATOM 0 H THR A 25 3.798 -8.954 4.706 1.00 0.00 H new ATOM 0 HA THR A 25 5.959 -8.378 6.416 1.00 0.00 H new ATOM 0 HB THR A 25 4.074 -10.765 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.773 -8.920 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.395 -10.685 8.870 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.935 -10.953 8.018 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.548 -9.344 8.674 1.00 0.00 H new ATOM 397 N ALA A 26 6.333 -11.043 4.507 1.00 0.00 N ATOM 398 CA ALA A 26 7.305 -12.032 4.027 1.00 0.00 C ATOM 399 C ALA A 26 8.460 -11.369 3.258 1.00 0.00 C ATOM 400 O ALA A 26 9.453 -12.015 2.918 1.00 0.00 O ATOM 401 CB ALA A 26 6.618 -13.073 3.155 1.00 0.00 C ATOM 0 H ALA A 26 5.449 -11.044 3.998 1.00 0.00 H new ATOM 0 HA ALA A 26 7.730 -12.525 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.353 -13.799 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.850 -13.584 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.158 -12.583 2.297 1.00 0.00 H new ATOM 407 N ASN A 27 8.319 -10.096 2.965 1.00 0.00 N ATOM 408 CA ASN A 27 9.354 -9.346 2.266 1.00 0.00 C ATOM 409 C ASN A 27 9.925 -8.243 3.132 1.00 0.00 C ATOM 410 O ASN A 27 10.545 -7.316 2.622 1.00 0.00 O ATOM 411 CB ASN A 27 8.845 -8.797 0.925 1.00 0.00 C ATOM 412 CG ASN A 27 8.788 -9.860 -0.158 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.754 -10.055 -0.895 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.681 -10.542 -0.276 1.00 0.00 N ATOM 0 H ASN A 27 7.491 -9.548 3.200 1.00 0.00 H new ATOM 0 HA ASN A 27 10.164 -10.042 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.851 -8.372 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.495 -7.986 0.599 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.599 -11.261 -0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.898 -10.356 0.351 1.00 0.00 H new ATOM 421 N ARG A 28 9.718 -8.380 4.460 1.00 0.00 N ATOM 422 CA ARG A 28 10.195 -7.440 5.529 1.00 0.00 C ATOM 423 C ARG A 28 9.753 -5.985 5.265 1.00 0.00 C ATOM 424 O ARG A 28 10.433 -5.027 5.644 1.00 0.00 O ATOM 425 CB ARG A 28 11.747 -7.524 5.789 1.00 0.00 C ATOM 426 CG ARG A 28 12.606 -6.908 4.711 1.00 0.00 C ATOM 427 CD ARG A 28 14.079 -6.850 5.066 1.00 0.00 C ATOM 428 NE ARG A 28 14.852 -6.104 4.042 1.00 0.00 N ATOM 429 CZ ARG A 28 16.091 -5.591 4.228 1.00 0.00 C ATOM 430 NH1 ARG A 28 16.739 -5.817 5.363 1.00 0.00 N ATOM 431 NH2 ARG A 28 16.683 -4.877 3.271 1.00 0.00 N ATOM 0 H ARG A 28 9.198 -9.170 4.843 1.00 0.00 H new ATOM 0 HA ARG A 28 9.709 -7.776 6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.969 -7.032 6.736 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.026 -8.572 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.485 -7.480 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.250 -5.898 4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.202 -6.372 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.473 -7.862 5.157 1.00 0.00 H new ATOM 0 HE ARG A 28 14.417 -5.968 3.130 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.304 -6.377 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.672 -5.430 5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.202 -4.712 2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.617 -4.496 3.423 1.00 0.00 H new ATOM 445 N ILE A 29 8.597 -5.827 4.671 1.00 0.00 N ATOM 446 CA ILE A 29 8.098 -4.514 4.322 1.00 0.00 C ATOM 447 C ILE A 29 7.266 -3.929 5.455 1.00 0.00 C ATOM 448 O ILE A 29 6.399 -4.608 6.025 1.00 0.00 O ATOM 449 CB ILE A 29 7.254 -4.562 3.027 1.00 0.00 C ATOM 450 CG1 ILE A 29 8.095 -5.158 1.892 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.764 -3.159 2.658 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.341 -5.388 0.610 1.00 0.00 C ATOM 0 H ILE A 29 7.977 -6.596 4.416 1.00 0.00 H new ATOM 0 HA ILE A 29 8.963 -3.873 4.151 1.00 0.00 H new ATOM 0 HB ILE A 29 6.380 -5.193 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.934 -4.492 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.514 -6.107 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.172 -3.209 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.150 -2.763 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.621 -2.504 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.013 -5.811 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.518 -6.080 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.945 -4.440 0.246 1.00 0.00 H new ATOM 464 N ALA A 30 7.564 -2.705 5.797 1.00 0.00 N ATOM 465 CA ALA A 30 6.839 -1.965 6.800 1.00 0.00 C ATOM 466 C ALA A 30 5.710 -1.207 6.135 1.00 0.00 C ATOM 467 O ALA A 30 5.878 -0.714 5.028 1.00 0.00 O ATOM 468 CB ALA A 30 7.770 -0.984 7.450 1.00 0.00 C ATOM 0 H ALA A 30 8.333 -2.181 5.379 1.00 0.00 H new ATOM 0 HA ALA A 30 6.437 -2.648 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.231 -0.419 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.597 -1.520 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.160 -0.299 6.697 1.00 0.00 H new ATOM 474 N TYR A 31 4.581 -1.096 6.801 1.00 0.00 N ATOM 475 CA TYR A 31 3.430 -0.418 6.238 1.00 0.00 C ATOM 476 C TYR A 31 2.494 0.039 7.340 1.00 0.00 C ATOM 477 O TYR A 31 2.617 -0.394 8.494 1.00 0.00 O ATOM 478 CB TYR A 31 2.666 -1.345 5.260 1.00 0.00 C ATOM 479 CG TYR A 31 2.150 -2.629 5.898 1.00 0.00 C ATOM 480 CD1 TYR A 31 0.892 -2.681 6.499 1.00 0.00 C ATOM 481 CD2 TYR A 31 2.926 -3.778 5.911 1.00 0.00 C ATOM 482 CE1 TYR A 31 0.430 -3.835 7.089 1.00 0.00 C ATOM 483 CE2 TYR A 31 2.473 -4.935 6.505 1.00 0.00 C ATOM 484 CZ TYR A 31 1.225 -4.961 7.090 1.00 0.00 C ATOM 485 OH TYR A 31 0.787 -6.111 7.712 1.00 0.00 O ATOM 0 H TYR A 31 4.434 -1.469 7.739 1.00 0.00 H new ATOM 0 HA TYR A 31 3.790 0.452 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.823 -0.796 4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.325 -1.603 4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.269 -1.799 6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.902 -3.765 5.448 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.548 -3.858 7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.093 -5.819 6.512 1.00 0.00 H new ATOM 0 HH TYR A 31 1.466 -6.812 7.620 1.00 0.00 H new ATOM 495 N ASP A 32 1.568 0.886 6.978 1.00 0.00 N ATOM 496 CA ASP A 32 0.541 1.371 7.876 1.00 0.00 C ATOM 497 C ASP A 32 -0.787 1.192 7.174 1.00 0.00 C ATOM 498 O ASP A 32 -0.849 1.341 5.968 1.00 0.00 O ATOM 499 CB ASP A 32 0.761 2.848 8.198 1.00 0.00 C ATOM 500 CG ASP A 32 -0.174 3.338 9.269 1.00 0.00 C ATOM 501 OD1 ASP A 32 0.088 3.065 10.456 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.173 4.014 8.956 1.00 0.00 O ATOM 0 H ASP A 32 1.500 1.268 6.035 1.00 0.00 H new ATOM 0 HA ASP A 32 0.567 0.819 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.791 2.999 8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.619 3.441 7.294 1.00 0.00 H new ATOM 507 N GLU A 33 -1.821 0.832 7.883 1.00 0.00 N ATOM 508 CA GLU A 33 -3.110 0.593 7.256 1.00 0.00 C ATOM 509 C GLU A 33 -4.206 1.387 7.961 1.00 0.00 C ATOM 510 O GLU A 33 -4.170 1.564 9.196 1.00 0.00 O ATOM 511 CB GLU A 33 -3.436 -0.912 7.273 1.00 0.00 C ATOM 512 CG GLU A 33 -3.598 -1.504 8.655 1.00 0.00 C ATOM 513 CD GLU A 33 -3.869 -2.977 8.627 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.923 -3.405 8.116 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.036 -3.747 9.116 1.00 0.00 O ATOM 0 H GLU A 33 -1.806 0.695 8.894 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.061 0.928 6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.355 -1.078 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.643 -1.448 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.694 -1.316 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.416 -0.998 9.168 1.00 0.00 H new ATOM 522 N VAL A 34 -5.138 1.891 7.190 1.00 0.00 N ATOM 523 CA VAL A 34 -6.294 2.604 7.701 1.00 0.00 C ATOM 524 C VAL A 34 -7.500 2.136 6.879 1.00 0.00 C ATOM 525 O VAL A 34 -7.356 1.877 5.674 1.00 0.00 O ATOM 526 CB VAL A 34 -6.095 4.170 7.644 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.963 4.706 6.238 1.00 0.00 C ATOM 528 CG2 VAL A 34 -7.180 4.915 8.388 1.00 0.00 C ATOM 0 H VAL A 34 -5.119 1.819 6.173 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.449 2.382 8.757 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.146 4.350 8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.829 5.787 6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.100 4.248 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.864 4.470 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.998 5.987 8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.149 4.682 7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.176 4.613 9.435 1.00 0.00 H new ATOM 538 N ASP A 35 -8.649 1.971 7.495 1.00 0.00 N ATOM 539 CA ASP A 35 -9.770 1.404 6.764 1.00 0.00 C ATOM 540 C ASP A 35 -10.582 2.504 6.088 1.00 0.00 C ATOM 541 O ASP A 35 -10.824 3.572 6.660 1.00 0.00 O ATOM 542 CB ASP A 35 -10.634 0.593 7.731 1.00 0.00 C ATOM 543 CG ASP A 35 -11.831 -0.048 7.089 1.00 0.00 C ATOM 544 OD1 ASP A 35 -11.737 -1.198 6.623 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.905 0.561 7.097 1.00 0.00 O ATOM 0 H ASP A 35 -8.834 2.211 8.469 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.400 0.745 5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.020 -0.183 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.972 1.246 8.536 1.00 0.00 H new ATOM 550 N ILE A 36 -11.000 2.238 4.887 1.00 0.00 N ATOM 551 CA ILE A 36 -11.707 3.212 4.077 1.00 0.00 C ATOM 552 C ILE A 36 -13.207 3.270 4.303 1.00 0.00 C ATOM 553 O ILE A 36 -13.860 4.191 3.821 1.00 0.00 O ATOM 554 CB ILE A 36 -11.396 3.061 2.584 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.881 1.705 2.058 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.902 3.222 2.379 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.663 1.488 0.574 1.00 0.00 C ATOM 0 H ILE A 36 -10.864 1.337 4.429 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.318 4.168 4.426 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.924 3.831 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.370 0.914 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.945 1.606 2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.667 3.117 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.592 4.209 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.372 2.457 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.036 0.504 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.198 2.254 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.598 1.550 0.350 1.00 0.00 H new ATOM 569 N GLU A 37 -13.765 2.313 5.019 1.00 0.00 N ATOM 570 CA GLU A 37 -15.213 2.238 5.121 1.00 0.00 C ATOM 571 C GLU A 37 -15.743 3.395 5.956 1.00 0.00 C ATOM 572 O GLU A 37 -16.756 4.023 5.614 1.00 0.00 O ATOM 573 CB GLU A 37 -15.652 0.896 5.700 1.00 0.00 C ATOM 574 CG GLU A 37 -17.112 0.574 5.476 1.00 0.00 C ATOM 575 CD GLU A 37 -17.437 0.427 4.006 1.00 0.00 C ATOM 576 OE1 GLU A 37 -17.604 1.442 3.321 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.510 -0.719 3.500 1.00 0.00 O ATOM 0 H GLU A 37 -13.254 1.592 5.528 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.634 2.317 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.045 0.106 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.450 0.891 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.365 -0.349 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.728 1.363 5.907 1.00 0.00 H new ATOM 584 N HIS A 38 -15.034 3.704 7.013 1.00 0.00 N ATOM 585 CA HIS A 38 -15.422 4.806 7.874 1.00 0.00 C ATOM 586 C HIS A 38 -14.722 6.119 7.470 1.00 0.00 C ATOM 587 O HIS A 38 -15.282 7.202 7.639 1.00 0.00 O ATOM 588 CB HIS A 38 -15.209 4.472 9.371 1.00 0.00 C ATOM 589 CG HIS A 38 -13.788 4.230 9.783 1.00 0.00 C ATOM 590 ND1 HIS A 38 -13.117 5.006 10.688 1.00 0.00 N ATOM 591 CD2 HIS A 38 -12.921 3.262 9.409 1.00 0.00 C ATOM 592 CE1 HIS A 38 -11.894 4.511 10.834 1.00 0.00 C ATOM 593 NE2 HIS A 38 -11.721 3.445 10.078 1.00 0.00 N ATOM 0 H HIS A 38 -14.188 3.214 7.302 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.492 4.960 7.735 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.607 5.292 9.968 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.795 3.586 9.615 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.130 2.473 8.702 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.140 4.927 11.486 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.879 2.874 10.001 1.00 0.00 H new ATOM 601 N ASN A 39 -13.515 6.027 6.913 1.00 0.00 N ATOM 602 CA ASN A 39 -12.810 7.238 6.472 1.00 0.00 C ATOM 603 C ASN A 39 -13.202 7.560 5.065 1.00 0.00 C ATOM 604 O ASN A 39 -12.680 6.963 4.116 1.00 0.00 O ATOM 605 CB ASN A 39 -11.277 7.134 6.533 1.00 0.00 C ATOM 606 CG ASN A 39 -10.716 6.943 7.908 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.552 7.895 8.674 1.00 0.00 O ATOM 608 ND2 ASN A 39 -10.342 5.747 8.210 1.00 0.00 N ATOM 0 H ASN A 39 -13.012 5.153 6.758 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.106 8.023 7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.958 6.301 5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.848 8.039 6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.894 5.564 9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.494 4.983 7.551 1.00 0.00 H new ATOM 615 N ARG A 40 -14.101 8.493 4.908 1.00 0.00 N ATOM 616 CA ARG A 40 -14.597 8.817 3.599 1.00 0.00 C ATOM 617 C ARG A 40 -13.569 9.551 2.751 1.00 0.00 C ATOM 618 O ARG A 40 -13.491 9.321 1.556 1.00 0.00 O ATOM 619 CB ARG A 40 -15.910 9.573 3.645 1.00 0.00 C ATOM 620 CG ARG A 40 -16.431 9.874 2.262 1.00 0.00 C ATOM 621 CD ARG A 40 -17.798 10.472 2.275 1.00 0.00 C ATOM 622 NE ARG A 40 -18.231 10.748 0.909 1.00 0.00 N ATOM 623 CZ ARG A 40 -19.009 9.941 0.179 1.00 0.00 C ATOM 624 NH1 ARG A 40 -19.453 8.788 0.696 1.00 0.00 N ATOM 625 NH2 ARG A 40 -19.319 10.271 -1.068 1.00 0.00 N ATOM 0 H ARG A 40 -14.504 9.041 5.668 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.793 7.861 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.648 8.987 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.774 10.505 4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.745 10.558 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.448 8.954 1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.498 9.790 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.796 11.393 2.859 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.918 11.619 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.198 8.524 1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.046 8.174 0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.964 11.139 -1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.912 9.657 -1.626 1.00 0.00 H new ATOM 639 N ALA A 41 -12.755 10.395 3.364 1.00 0.00 N ATOM 640 CA ALA A 41 -11.731 11.120 2.617 1.00 0.00 C ATOM 641 C ALA A 41 -10.721 10.139 2.053 1.00 0.00 C ATOM 642 O ALA A 41 -10.186 10.332 0.959 1.00 0.00 O ATOM 643 CB ALA A 41 -11.039 12.164 3.477 1.00 0.00 C ATOM 0 H ALA A 41 -12.779 10.596 4.364 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.218 11.649 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.284 12.681 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.774 12.884 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.562 11.677 4.327 1.00 0.00 H new ATOM 649 N ALA A 42 -10.492 9.069 2.792 1.00 0.00 N ATOM 650 CA ALA A 42 -9.609 8.027 2.347 1.00 0.00 C ATOM 651 C ALA A 42 -10.288 7.208 1.258 1.00 0.00 C ATOM 652 O ALA A 42 -9.682 6.915 0.241 1.00 0.00 O ATOM 653 CB ALA A 42 -9.167 7.141 3.500 1.00 0.00 C ATOM 0 H ALA A 42 -10.912 8.906 3.707 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.711 8.488 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.500 6.364 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.643 7.744 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.041 6.679 3.960 1.00 0.00 H new ATOM 659 N ALA A 43 -11.568 6.884 1.472 1.00 0.00 N ATOM 660 CA ALA A 43 -12.373 6.111 0.512 1.00 0.00 C ATOM 661 C ALA A 43 -12.506 6.828 -0.820 1.00 0.00 C ATOM 662 O ALA A 43 -12.397 6.210 -1.875 1.00 0.00 O ATOM 663 CB ALA A 43 -13.748 5.823 1.075 1.00 0.00 C ATOM 0 H ALA A 43 -12.078 7.149 2.315 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.849 5.170 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.326 5.251 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.651 5.248 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.259 6.762 1.286 1.00 0.00 H new ATOM 669 N GLU A 44 -12.746 8.121 -0.757 1.00 0.00 N ATOM 670 CA GLU A 44 -12.864 8.960 -1.937 1.00 0.00 C ATOM 671 C GLU A 44 -11.547 8.925 -2.704 1.00 0.00 C ATOM 672 O GLU A 44 -11.519 8.729 -3.923 1.00 0.00 O ATOM 673 CB GLU A 44 -13.167 10.396 -1.500 1.00 0.00 C ATOM 674 CG GLU A 44 -13.487 11.352 -2.632 1.00 0.00 C ATOM 675 CD GLU A 44 -14.738 10.960 -3.368 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.837 11.055 -2.797 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.658 10.539 -4.531 1.00 0.00 O ATOM 0 H GLU A 44 -12.866 8.626 0.121 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.668 8.597 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.009 10.380 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.309 10.782 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.603 12.360 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.650 11.380 -3.330 1.00 0.00 H new ATOM 684 N PHE A 45 -10.465 9.072 -1.958 1.00 0.00 N ATOM 685 CA PHE A 45 -9.121 9.062 -2.494 1.00 0.00 C ATOM 686 C PHE A 45 -8.823 7.733 -3.202 1.00 0.00 C ATOM 687 O PHE A 45 -8.535 7.709 -4.405 1.00 0.00 O ATOM 688 CB PHE A 45 -8.113 9.315 -1.360 1.00 0.00 C ATOM 689 CG PHE A 45 -6.685 9.272 -1.795 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.125 10.339 -2.475 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.899 8.159 -1.528 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.812 10.300 -2.886 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.586 8.119 -1.937 1.00 0.00 C ATOM 694 CZ PHE A 45 -4.042 9.191 -2.618 1.00 0.00 C ATOM 0 H PHE A 45 -10.500 9.204 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.030 9.857 -3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.318 10.289 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.267 8.571 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.725 11.212 -2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.321 7.319 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.387 11.138 -3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.981 7.250 -1.726 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.012 9.159 -2.940 1.00 0.00 H new ATOM 704 N VAL A 46 -8.937 6.636 -2.462 1.00 0.00 N ATOM 705 CA VAL A 46 -8.658 5.307 -2.998 1.00 0.00 C ATOM 706 C VAL A 46 -9.614 4.943 -4.141 1.00 0.00 C ATOM 707 O VAL A 46 -9.206 4.328 -5.108 1.00 0.00 O ATOM 708 CB VAL A 46 -8.640 4.207 -1.881 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.905 4.175 -1.137 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.402 2.845 -2.431 1.00 0.00 C ATOM 0 H VAL A 46 -9.223 6.641 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.652 5.343 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.818 4.478 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.857 3.401 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.074 5.143 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.725 3.957 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.399 2.120 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.193 2.594 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.439 2.822 -2.942 1.00 0.00 H new ATOM 720 N GLY A 47 -10.859 5.382 -4.043 1.00 0.00 N ATOM 721 CA GLY A 47 -11.831 5.117 -5.080 1.00 0.00 C ATOM 722 C GLY A 47 -11.465 5.789 -6.387 1.00 0.00 C ATOM 723 O GLY A 47 -11.630 5.210 -7.460 1.00 0.00 O ATOM 0 H GLY A 47 -11.215 5.923 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.911 4.041 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.811 5.466 -4.755 1.00 0.00 H new ATOM 727 N SER A 48 -10.916 6.982 -6.287 1.00 0.00 N ATOM 728 CA SER A 48 -10.527 7.750 -7.448 1.00 0.00 C ATOM 729 C SER A 48 -9.297 7.137 -8.138 1.00 0.00 C ATOM 730 O SER A 48 -9.194 7.144 -9.373 1.00 0.00 O ATOM 731 CB SER A 48 -10.249 9.202 -7.041 1.00 0.00 C ATOM 732 OG SER A 48 -11.382 9.768 -6.390 1.00 0.00 O ATOM 0 H SER A 48 -10.728 7.445 -5.398 1.00 0.00 H new ATOM 0 HA SER A 48 -11.349 7.730 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.385 9.240 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.999 9.791 -7.924 1.00 0.00 H new ATOM 0 HG SER A 48 -11.333 9.583 -5.429 1.00 0.00 H new ATOM 738 N VAL A 49 -8.397 6.575 -7.354 1.00 0.00 N ATOM 739 CA VAL A 49 -7.162 5.999 -7.889 1.00 0.00 C ATOM 740 C VAL A 49 -7.292 4.492 -8.091 1.00 0.00 C ATOM 741 O VAL A 49 -6.326 3.807 -8.423 1.00 0.00 O ATOM 742 CB VAL A 49 -5.938 6.297 -6.979 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.704 7.785 -6.875 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.131 5.713 -5.595 1.00 0.00 C ATOM 0 H VAL A 49 -8.491 6.501 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.995 6.474 -8.856 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.066 5.829 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.843 7.974 -6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.514 8.194 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.586 8.263 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.259 5.937 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.019 6.148 -5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.254 4.633 -5.670 1.00 0.00 H new ATOM 754 N ASN A 50 -8.484 3.986 -7.907 1.00 0.00 N ATOM 755 CA ASN A 50 -8.743 2.564 -8.043 1.00 0.00 C ATOM 756 C ASN A 50 -9.069 2.233 -9.490 1.00 0.00 C ATOM 757 O ASN A 50 -8.946 3.093 -10.384 1.00 0.00 O ATOM 758 CB ASN A 50 -9.933 2.132 -7.176 1.00 0.00 C ATOM 759 CG ASN A 50 -9.578 1.066 -6.163 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.365 0.169 -5.879 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.449 1.183 -5.563 1.00 0.00 N ATOM 0 H ASN A 50 -9.304 4.540 -7.659 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.847 2.034 -7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.328 3.003 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.728 1.760 -7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.189 0.521 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.812 1.938 -5.818 1.00 0.00 H new ATOM 768 N GLY A 51 -9.472 1.004 -9.730 1.00 0.00 N ATOM 769 CA GLY A 51 -9.883 0.600 -11.047 1.00 0.00 C ATOM 770 C GLY A 51 -11.370 0.813 -11.212 1.00 0.00 C ATOM 771 O GLY A 51 -12.172 -0.109 -11.015 1.00 0.00 O ATOM 0 H GLY A 51 -9.522 0.269 -9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.340 1.173 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.638 -0.450 -11.208 1.00 0.00 H new ATOM 775 N GLY A 52 -11.747 2.035 -11.506 1.00 0.00 N ATOM 776 CA GLY A 52 -13.141 2.369 -11.684 1.00 0.00 C ATOM 777 C GLY A 52 -13.781 2.789 -10.382 1.00 0.00 C ATOM 778 O GLY A 52 -14.206 3.939 -10.223 1.00 0.00 O ATOM 0 H GLY A 52 -11.105 2.818 -11.628 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.233 3.175 -12.412 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.673 1.509 -12.091 1.00 0.00 H new ATOM 782 N ASN A 53 -13.826 1.880 -9.443 1.00 0.00 N ATOM 783 CA ASN A 53 -14.412 2.146 -8.150 1.00 0.00 C ATOM 784 C ASN A 53 -13.638 1.418 -7.096 1.00 0.00 C ATOM 785 O ASN A 53 -12.827 0.547 -7.411 1.00 0.00 O ATOM 786 CB ASN A 53 -15.899 1.714 -8.079 1.00 0.00 C ATOM 787 CG ASN A 53 -16.115 0.199 -8.186 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.128 -0.520 -7.181 1.00 0.00 O ATOM 789 ND2 ASN A 53 -16.307 -0.288 -9.382 1.00 0.00 N ATOM 0 H ASN A 53 -13.459 0.935 -9.550 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.371 3.223 -7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.324 2.066 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.448 2.206 -8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.473 -1.287 -9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.291 0.330 -10.193 1.00 0.00 H new ATOM 796 N ARG A 54 -13.870 1.811 -5.866 1.00 0.00 N ATOM 797 CA ARG A 54 -13.305 1.187 -4.671 1.00 0.00 C ATOM 798 C ARG A 54 -13.585 -0.323 -4.618 1.00 0.00 C ATOM 799 O ARG A 54 -14.694 -0.756 -4.296 1.00 0.00 O ATOM 800 CB ARG A 54 -13.882 1.879 -3.428 1.00 0.00 C ATOM 801 CG ARG A 54 -15.389 2.113 -3.531 1.00 0.00 C ATOM 802 CD ARG A 54 -15.975 2.705 -2.284 1.00 0.00 C ATOM 803 NE ARG A 54 -16.182 1.703 -1.241 1.00 0.00 N ATOM 804 CZ ARG A 54 -16.458 1.983 0.032 1.00 0.00 C ATOM 805 NH1 ARG A 54 -16.364 3.242 0.482 1.00 0.00 N ATOM 806 NH2 ARG A 54 -16.835 1.010 0.850 1.00 0.00 N ATOM 0 H ARG A 54 -14.478 2.602 -5.652 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.222 1.307 -4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.672 1.271 -2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.379 2.835 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.592 2.776 -4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.885 1.166 -3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.313 3.486 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.926 3.181 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.110 0.721 -1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.080 3.990 -0.151 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.576 3.452 1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.912 0.054 0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.048 1.218 1.826 1.00 0.00 H new ATOM 820 N THR A 55 -12.601 -1.105 -4.970 1.00 0.00 N ATOM 821 CA THR A 55 -12.740 -2.531 -4.935 1.00 0.00 C ATOM 822 C THR A 55 -11.410 -3.227 -4.572 1.00 0.00 C ATOM 823 O THR A 55 -11.401 -4.416 -4.204 1.00 0.00 O ATOM 824 CB THR A 55 -13.302 -3.069 -6.294 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.587 -4.479 -6.206 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.329 -2.816 -7.447 1.00 0.00 C ATOM 0 H THR A 55 -11.690 -0.774 -5.286 1.00 0.00 H new ATOM 0 HA THR A 55 -13.456 -2.771 -4.149 1.00 0.00 H new ATOM 0 HB THR A 55 -14.225 -2.526 -6.497 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.067 -4.873 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.754 -3.203 -8.373 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.155 -1.745 -7.548 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.384 -3.320 -7.243 1.00 0.00 H new ATOM 834 N VAL A 56 -10.302 -2.509 -4.666 1.00 0.00 N ATOM 835 CA VAL A 56 -8.998 -3.082 -4.372 1.00 0.00 C ATOM 836 C VAL A 56 -8.155 -2.154 -3.511 1.00 0.00 C ATOM 837 O VAL A 56 -8.256 -0.923 -3.627 1.00 0.00 O ATOM 838 CB VAL A 56 -8.199 -3.465 -5.654 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.766 -4.710 -6.309 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.186 -2.325 -6.644 1.00 0.00 C ATOM 0 H VAL A 56 -10.280 -1.528 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.204 -3.998 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.175 -3.675 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.185 -4.949 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.716 -5.544 -5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.804 -4.533 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.622 -2.618 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.209 -2.080 -6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.718 -1.453 -6.188 1.00 0.00 H new ATOM 850 N PRO A 57 -7.301 -2.730 -2.645 1.00 0.00 N ATOM 851 CA PRO A 57 -6.436 -1.963 -1.770 1.00 0.00 C ATOM 852 C PRO A 57 -5.414 -1.158 -2.562 1.00 0.00 C ATOM 853 O PRO A 57 -4.845 -1.633 -3.555 1.00 0.00 O ATOM 854 CB PRO A 57 -5.741 -3.020 -0.898 1.00 0.00 C ATOM 855 CG PRO A 57 -5.841 -4.281 -1.675 1.00 0.00 C ATOM 856 CD PRO A 57 -7.108 -4.177 -2.473 1.00 0.00 C ATOM 0 HA PRO A 57 -6.994 -1.234 -1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.701 -2.754 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.228 -3.114 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.978 -4.406 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.867 -5.146 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.018 -4.685 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.948 -4.632 -1.949 1.00 0.00 H new ATOM 864 N THR A 58 -5.221 0.052 -2.160 1.00 0.00 N ATOM 865 CA THR A 58 -4.294 0.926 -2.810 1.00 0.00 C ATOM 866 C THR A 58 -3.286 1.403 -1.787 1.00 0.00 C ATOM 867 O THR A 58 -3.649 1.686 -0.639 1.00 0.00 O ATOM 868 CB THR A 58 -5.052 2.115 -3.400 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.112 1.584 -4.172 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.185 2.949 -4.322 1.00 0.00 C ATOM 0 H THR A 58 -5.704 0.470 -1.365 1.00 0.00 H new ATOM 0 HA THR A 58 -3.777 0.405 -3.615 1.00 0.00 H new ATOM 0 HB THR A 58 -5.390 2.755 -2.585 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.933 1.739 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.768 3.781 -4.716 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.330 3.336 -3.767 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.832 2.331 -5.147 1.00 0.00 H new ATOM 878 N VAL A 59 -2.047 1.439 -2.164 1.00 0.00 N ATOM 879 CA VAL A 59 -1.014 1.883 -1.273 1.00 0.00 C ATOM 880 C VAL A 59 -0.600 3.296 -1.609 1.00 0.00 C ATOM 881 O VAL A 59 -0.369 3.624 -2.776 1.00 0.00 O ATOM 882 CB VAL A 59 0.225 0.947 -1.290 1.00 0.00 C ATOM 883 CG1 VAL A 59 -0.112 -0.396 -0.697 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.745 0.754 -2.692 1.00 0.00 C ATOM 0 H VAL A 59 -1.721 1.164 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.429 1.855 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 59 0.999 1.424 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.771 -1.035 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.440 -0.266 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.910 -0.860 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.612 0.094 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.034 0.309 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.033 1.719 -3.109 1.00 0.00 H new ATOM 894 N LYS A 60 -0.565 4.133 -0.618 1.00 0.00 N ATOM 895 CA LYS A 60 -0.103 5.482 -0.794 1.00 0.00 C ATOM 896 C LYS A 60 1.212 5.604 -0.092 1.00 0.00 C ATOM 897 O LYS A 60 1.281 5.450 1.129 1.00 0.00 O ATOM 898 CB LYS A 60 -1.079 6.490 -0.205 1.00 0.00 C ATOM 899 CG LYS A 60 -0.735 7.942 -0.543 1.00 0.00 C ATOM 900 CD LYS A 60 -1.683 8.923 0.124 1.00 0.00 C ATOM 901 CE LYS A 60 -1.459 8.991 1.624 1.00 0.00 C ATOM 902 NZ LYS A 60 -2.442 9.864 2.295 1.00 0.00 N ATOM 0 H LYS A 60 -0.854 3.905 0.333 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.012 5.694 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.082 6.268 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.100 6.373 0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.287 8.155 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.771 8.081 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.545 9.914 -0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.713 8.627 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.520 7.987 2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.453 9.359 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.051 10.195 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.651 10.682 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.317 9.330 2.471 1.00 0.00 H new ATOM 916 N PHE A 61 2.240 5.843 -0.832 1.00 0.00 N ATOM 917 CA PHE A 61 3.555 5.937 -0.268 1.00 0.00 C ATOM 918 C PHE A 61 3.820 7.284 0.342 1.00 0.00 C ATOM 919 O PHE A 61 3.078 8.247 0.110 1.00 0.00 O ATOM 920 CB PHE A 61 4.608 5.615 -1.304 1.00 0.00 C ATOM 921 CG PHE A 61 4.691 4.168 -1.641 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.787 3.586 -2.503 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.691 3.386 -1.097 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.882 2.261 -2.812 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.786 2.061 -1.403 1.00 0.00 C ATOM 926 CZ PHE A 61 4.886 1.498 -2.260 1.00 0.00 C ATOM 0 H PHE A 61 2.200 5.979 -1.842 1.00 0.00 H new ATOM 0 HA PHE A 61 3.608 5.200 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.396 6.179 -2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.579 5.951 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.998 4.183 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.407 3.830 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.171 1.811 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.571 1.459 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.962 0.449 -2.506 1.00 0.00 H new ATOM 936 N ALA A 62 4.888 7.354 1.109 1.00 0.00 N ATOM 937 CA ALA A 62 5.339 8.578 1.744 1.00 0.00 C ATOM 938 C ALA A 62 5.813 9.605 0.709 1.00 0.00 C ATOM 939 O ALA A 62 6.029 10.773 1.031 1.00 0.00 O ATOM 940 CB ALA A 62 6.446 8.264 2.726 1.00 0.00 C ATOM 0 H ALA A 62 5.479 6.548 1.313 1.00 0.00 H new ATOM 0 HA ALA A 62 4.497 9.018 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.783 9.185 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.074 7.578 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.280 7.802 2.198 1.00 0.00 H new ATOM 946 N ASP A 63 5.991 9.162 -0.525 1.00 0.00 N ATOM 947 CA ASP A 63 6.357 10.066 -1.607 1.00 0.00 C ATOM 948 C ASP A 63 5.092 10.620 -2.261 1.00 0.00 C ATOM 949 O ASP A 63 5.147 11.523 -3.089 1.00 0.00 O ATOM 950 CB ASP A 63 7.250 9.384 -2.659 1.00 0.00 C ATOM 951 CG ASP A 63 6.549 8.338 -3.498 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.926 8.682 -4.503 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.656 7.153 -3.202 1.00 0.00 O ATOM 0 H ASP A 63 5.889 8.186 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 63 6.938 10.882 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.658 10.148 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.095 8.918 -2.152 1.00 0.00 H new ATOM 958 N GLY A 64 3.960 10.056 -1.886 1.00 0.00 N ATOM 959 CA GLY A 64 2.677 10.519 -2.362 1.00 0.00 C ATOM 960 C GLY A 64 2.091 9.664 -3.469 1.00 0.00 C ATOM 961 O GLY A 64 0.874 9.642 -3.649 1.00 0.00 O ATOM 0 H GLY A 64 3.907 9.265 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.978 10.545 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.781 11.542 -2.722 1.00 0.00 H new ATOM 965 N SER A 65 2.926 8.928 -4.180 1.00 0.00 N ATOM 966 CA SER A 65 2.444 8.122 -5.281 1.00 0.00 C ATOM 967 C SER A 65 1.676 6.886 -4.780 1.00 0.00 C ATOM 968 O SER A 65 2.006 6.294 -3.726 1.00 0.00 O ATOM 969 CB SER A 65 3.599 7.745 -6.228 1.00 0.00 C ATOM 970 OG SER A 65 3.157 7.015 -7.366 1.00 0.00 O ATOM 0 H SER A 65 3.931 8.873 -4.015 1.00 0.00 H new ATOM 0 HA SER A 65 1.734 8.719 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.105 8.653 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.332 7.151 -5.682 1.00 0.00 H new ATOM 0 HG SER A 65 3.925 6.801 -7.936 1.00 0.00 H new ATOM 976 N THR A 66 0.656 6.536 -5.522 1.00 0.00 N ATOM 977 CA THR A 66 -0.224 5.441 -5.234 1.00 0.00 C ATOM 978 C THR A 66 -0.094 4.334 -6.275 1.00 0.00 C ATOM 979 O THR A 66 0.141 4.612 -7.459 1.00 0.00 O ATOM 980 CB THR A 66 -1.668 5.960 -5.236 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.770 7.086 -6.144 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.112 6.367 -3.853 1.00 0.00 C ATOM 0 H THR A 66 0.409 7.030 -6.379 1.00 0.00 H new ATOM 0 HA THR A 66 0.042 5.028 -4.261 1.00 0.00 H new ATOM 0 HB THR A 66 -2.323 5.155 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.692 7.419 -6.149 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.139 6.729 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.056 5.507 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.462 7.159 -3.480 1.00 0.00 H new ATOM 990 N LEU A 67 -0.197 3.095 -5.836 1.00 0.00 N ATOM 991 CA LEU A 67 -0.209 1.963 -6.748 1.00 0.00 C ATOM 992 C LEU A 67 -1.446 1.136 -6.461 1.00 0.00 C ATOM 993 O LEU A 67 -1.717 0.803 -5.284 1.00 0.00 O ATOM 994 CB LEU A 67 1.024 1.034 -6.594 1.00 0.00 C ATOM 995 CG LEU A 67 2.426 1.647 -6.639 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.469 0.548 -6.487 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.650 2.390 -7.936 1.00 0.00 C ATOM 0 H LEU A 67 -0.274 2.844 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.194 2.367 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.924 0.510 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.969 0.281 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 67 2.519 2.358 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.467 0.986 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.326 0.040 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.362 -0.170 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.653 2.816 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.543 1.701 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.916 3.190 -8.029 1.00 0.00 H new ATOM 1009 N THR A 68 -2.209 0.846 -7.490 1.00 0.00 N ATOM 1010 CA THR A 68 -3.353 -0.026 -7.389 1.00 0.00 C ATOM 1011 C THR A 68 -2.809 -1.433 -7.079 1.00 0.00 C ATOM 1012 O THR A 68 -1.823 -1.825 -7.712 1.00 0.00 O ATOM 1013 CB THR A 68 -4.090 -0.042 -8.745 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.163 1.313 -9.255 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.501 -0.578 -8.577 1.00 0.00 C ATOM 0 H THR A 68 -2.050 1.213 -8.428 1.00 0.00 H new ATOM 0 HA THR A 68 -4.046 0.305 -6.615 1.00 0.00 H new ATOM 0 HB THR A 68 -3.545 -0.685 -9.437 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.628 1.313 -10.118 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.006 -0.582 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.460 -1.594 -8.185 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.051 0.057 -7.883 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.472 -2.169 -6.138 1.00 0.00 N ATOM 1024 CA ASN A 69 -3.012 -3.493 -5.563 1.00 0.00 C ATOM 1025 C ASN A 69 -1.755 -4.095 -6.213 1.00 0.00 C ATOM 1026 O ASN A 69 -1.813 -4.854 -7.189 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.148 -4.550 -5.425 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.795 -5.020 -6.736 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -4.881 -4.275 -7.719 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -5.255 -6.259 -6.758 1.00 0.00 N ATOM 0 H ASN A 69 -4.361 -1.861 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.707 -3.216 -4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.745 -5.422 -4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.928 -4.134 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.696 -6.625 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.169 -6.850 -5.931 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.597 -3.685 -5.702 1.00 0.00 N ATOM 1038 CA PRO A 70 0.693 -4.101 -6.206 1.00 0.00 C ATOM 1039 C PRO A 70 1.211 -5.345 -5.518 1.00 0.00 C ATOM 1040 O PRO A 70 0.618 -5.841 -4.558 1.00 0.00 O ATOM 1041 CB PRO A 70 1.568 -2.907 -5.856 1.00 0.00 C ATOM 1042 CG PRO A 70 0.998 -2.392 -4.580 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.456 -2.745 -4.573 1.00 0.00 C ATOM 0 HA PRO A 70 0.667 -4.358 -7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.611 -3.200 -5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.538 -2.149 -6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.506 -2.836 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.133 -1.313 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.751 -3.206 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.082 -1.863 -4.707 1.00 0.00 H new ATOM 1051 N SER A 71 2.268 -5.876 -6.036 1.00 0.00 N ATOM 1052 CA SER A 71 2.927 -6.968 -5.411 1.00 0.00 C ATOM 1053 C SER A 71 4.063 -6.402 -4.553 1.00 0.00 C ATOM 1054 O SER A 71 4.393 -5.202 -4.665 1.00 0.00 O ATOM 1055 CB SER A 71 3.452 -7.944 -6.467 1.00 0.00 C ATOM 1056 OG SER A 71 3.986 -9.109 -5.866 1.00 0.00 O ATOM 0 H SER A 71 2.698 -5.563 -6.906 1.00 0.00 H new ATOM 0 HA SER A 71 2.237 -7.525 -4.777 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.644 -8.219 -7.145 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.220 -7.456 -7.067 1.00 0.00 H new ATOM 0 HG SER A 71 4.313 -9.716 -6.563 1.00 0.00 H new ATOM 1062 N ALA A 72 4.676 -7.246 -3.733 1.00 0.00 N ATOM 1063 CA ALA A 72 5.735 -6.817 -2.824 1.00 0.00 C ATOM 1064 C ALA A 72 6.963 -6.333 -3.600 1.00 0.00 C ATOM 1065 O ALA A 72 7.663 -5.413 -3.169 1.00 0.00 O ATOM 1066 CB ALA A 72 6.076 -7.920 -1.839 1.00 0.00 C ATOM 0 H ALA A 72 4.456 -8.241 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 72 5.372 -5.968 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.867 -7.580 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.191 -8.172 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.415 -8.802 -2.383 1.00 0.00 H new ATOM 1072 N ASP A 73 7.185 -6.938 -4.753 1.00 0.00 N ATOM 1073 CA ASP A 73 8.245 -6.531 -5.692 1.00 0.00 C ATOM 1074 C ASP A 73 8.124 -5.054 -6.059 1.00 0.00 C ATOM 1075 O ASP A 73 9.094 -4.286 -5.953 1.00 0.00 O ATOM 1076 CB ASP A 73 8.144 -7.378 -6.968 1.00 0.00 C ATOM 1077 CG ASP A 73 8.974 -6.840 -8.118 1.00 0.00 C ATOM 1078 OD1 ASP A 73 10.197 -7.037 -8.136 1.00 0.00 O ATOM 1079 OD2 ASP A 73 8.400 -6.238 -9.045 1.00 0.00 O ATOM 0 H ASP A 73 6.636 -7.734 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 73 9.209 -6.686 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.463 -8.396 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.100 -7.432 -7.277 1.00 0.00 H new ATOM 1084 N GLU A 74 6.915 -4.673 -6.423 1.00 0.00 N ATOM 1085 CA GLU A 74 6.598 -3.332 -6.890 1.00 0.00 C ATOM 1086 C GLU A 74 6.723 -2.319 -5.779 1.00 0.00 C ATOM 1087 O GLU A 74 7.365 -1.285 -5.936 1.00 0.00 O ATOM 1088 CB GLU A 74 5.185 -3.307 -7.432 1.00 0.00 C ATOM 1089 CG GLU A 74 4.962 -4.276 -8.558 1.00 0.00 C ATOM 1090 CD GLU A 74 3.559 -4.257 -9.062 1.00 0.00 C ATOM 1091 OE1 GLU A 74 3.247 -3.449 -9.954 1.00 0.00 O ATOM 1092 OE2 GLU A 74 2.743 -5.095 -8.607 1.00 0.00 O ATOM 0 H GLU A 74 6.108 -5.297 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 74 7.308 -3.070 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.490 -3.534 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.954 -2.300 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.641 -4.038 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.209 -5.283 -8.220 1.00 0.00 H new ATOM 1099 N VAL A 75 6.124 -2.622 -4.648 1.00 0.00 N ATOM 1100 CA VAL A 75 6.159 -1.710 -3.521 1.00 0.00 C ATOM 1101 C VAL A 75 7.573 -1.468 -3.005 1.00 0.00 C ATOM 1102 O VAL A 75 7.911 -0.344 -2.628 1.00 0.00 O ATOM 1103 CB VAL A 75 5.195 -2.092 -2.374 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.770 -1.807 -2.774 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.298 -3.546 -2.050 1.00 0.00 C ATOM 0 H VAL A 75 5.609 -3.487 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 75 5.790 -0.765 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 75 5.474 -1.499 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.101 -2.080 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.659 -0.745 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.518 -2.389 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.610 -3.788 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.042 -4.134 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.317 -3.779 -1.742 1.00 0.00 H new ATOM 1115 N LYS A 76 8.415 -2.499 -3.037 1.00 0.00 N ATOM 1116 CA LYS A 76 9.800 -2.337 -2.637 1.00 0.00 C ATOM 1117 C LYS A 76 10.544 -1.417 -3.568 1.00 0.00 C ATOM 1118 O LYS A 76 11.368 -0.639 -3.119 1.00 0.00 O ATOM 1119 CB LYS A 76 10.540 -3.659 -2.525 1.00 0.00 C ATOM 1120 CG LYS A 76 10.199 -4.457 -1.286 1.00 0.00 C ATOM 1121 CD LYS A 76 11.023 -5.736 -1.186 1.00 0.00 C ATOM 1122 CE LYS A 76 12.524 -5.446 -1.271 1.00 0.00 C ATOM 1123 NZ LYS A 76 13.337 -6.641 -1.017 1.00 0.00 N ATOM 0 H LYS A 76 8.162 -3.442 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 76 9.768 -1.888 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.318 -4.263 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.612 -3.464 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.372 -3.844 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.139 -4.709 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.802 -6.240 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.737 -6.417 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.760 -5.052 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.784 -4.672 -0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.345 -6.396 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.133 -7.004 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.110 -7.372 -1.722 1.00 0.00 H new ATOM 1137 N ALA A 77 10.220 -1.487 -4.856 1.00 0.00 N ATOM 1138 CA ALA A 77 10.864 -0.664 -5.876 1.00 0.00 C ATOM 1139 C ALA A 77 10.702 0.828 -5.562 1.00 0.00 C ATOM 1140 O ALA A 77 11.604 1.630 -5.814 1.00 0.00 O ATOM 1141 CB ALA A 77 10.306 -0.990 -7.254 1.00 0.00 C ATOM 0 H ALA A 77 9.504 -2.115 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 77 11.930 -0.892 -5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.797 -0.368 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.487 -2.041 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.234 -0.796 -7.268 1.00 0.00 H new ATOM 1147 N LYS A 78 9.561 1.187 -5.015 1.00 0.00 N ATOM 1148 CA LYS A 78 9.333 2.548 -4.600 1.00 0.00 C ATOM 1149 C LYS A 78 9.887 2.820 -3.212 1.00 0.00 C ATOM 1150 O LYS A 78 10.658 3.766 -3.019 1.00 0.00 O ATOM 1151 CB LYS A 78 7.862 2.921 -4.669 1.00 0.00 C ATOM 1152 CG LYS A 78 7.370 3.162 -6.084 1.00 0.00 C ATOM 1153 CD LYS A 78 5.900 3.541 -6.118 1.00 0.00 C ATOM 1154 CE LYS A 78 5.584 4.777 -5.267 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.339 5.978 -5.675 1.00 0.00 N ATOM 0 H LYS A 78 8.779 0.554 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 78 9.874 3.179 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.271 2.125 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.694 3.819 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.960 3.956 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.527 2.263 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.602 3.730 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.304 2.700 -5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.517 4.989 -5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.804 4.556 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.171 6.743 -4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.355 5.756 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.024 6.282 -6.618 1.00 0.00 H new ATOM 1169 N LEU A 79 9.539 1.953 -2.264 1.00 0.00 N ATOM 1170 CA LEU A 79 9.907 2.114 -0.854 1.00 0.00 C ATOM 1171 C LEU A 79 11.414 2.258 -0.653 1.00 0.00 C ATOM 1172 O LEU A 79 11.872 3.091 0.162 1.00 0.00 O ATOM 1173 CB LEU A 79 9.384 0.934 -0.027 1.00 0.00 C ATOM 1174 CG LEU A 79 9.680 0.978 1.473 1.00 0.00 C ATOM 1175 CD1 LEU A 79 9.058 2.205 2.111 1.00 0.00 C ATOM 1176 CD2 LEU A 79 9.185 -0.283 2.149 1.00 0.00 C ATOM 0 H LEU A 79 8.991 1.113 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 79 9.442 3.039 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.304 0.873 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.808 0.016 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 79 10.760 1.039 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.282 2.214 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.466 3.103 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.978 2.182 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.404 -0.234 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.109 -0.375 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.685 -1.149 1.715 1.00 0.00 H new ATOM 1188 N VAL A 80 12.178 1.487 -1.404 1.00 0.00 N ATOM 1189 CA VAL A 80 13.618 1.488 -1.285 1.00 0.00 C ATOM 1190 C VAL A 80 14.200 2.873 -1.643 1.00 0.00 C ATOM 1191 O VAL A 80 15.168 3.325 -1.025 1.00 0.00 O ATOM 1192 CB VAL A 80 14.267 0.353 -2.146 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.189 0.619 -3.642 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.682 0.064 -1.707 1.00 0.00 C ATOM 0 H VAL A 80 11.816 0.846 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 80 13.865 1.282 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 80 13.671 -0.542 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.656 -0.204 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.145 0.704 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.710 1.548 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.100 -0.729 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.287 0.965 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.682 -0.253 -0.664 1.00 0.00 H new ATOM 1204 N LYS A 81 13.545 3.570 -2.576 1.00 0.00 N ATOM 1205 CA LYS A 81 13.995 4.881 -3.015 1.00 0.00 C ATOM 1206 C LYS A 81 13.554 5.970 -2.041 1.00 0.00 C ATOM 1207 O LYS A 81 14.205 6.996 -1.923 1.00 0.00 O ATOM 1208 CB LYS A 81 13.469 5.234 -4.419 1.00 0.00 C ATOM 1209 CG LYS A 81 13.902 4.309 -5.548 1.00 0.00 C ATOM 1210 CD LYS A 81 13.434 4.860 -6.895 1.00 0.00 C ATOM 1211 CE LYS A 81 13.801 3.949 -8.062 1.00 0.00 C ATOM 1212 NZ LYS A 81 13.143 2.630 -7.978 1.00 0.00 N ATOM 0 H LYS A 81 12.698 3.241 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 81 15.083 4.833 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.380 5.246 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.792 6.246 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.987 4.206 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.487 3.313 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.353 4.996 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.876 5.844 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.521 4.432 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.882 3.811 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.865 1.886 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.525 2.603 -7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.574 2.471 -8.834 1.00 0.00 H new ATOM 1226 N ILE A 82 12.437 5.753 -1.368 1.00 0.00 N ATOM 1227 CA ILE A 82 11.892 6.749 -0.439 1.00 0.00 C ATOM 1228 C ILE A 82 12.747 6.831 0.806 1.00 0.00 C ATOM 1229 O ILE A 82 13.277 7.888 1.152 1.00 0.00 O ATOM 1230 CB ILE A 82 10.460 6.391 0.012 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.552 6.174 -1.182 1.00 0.00 C ATOM 1232 CG2 ILE A 82 9.894 7.488 0.912 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.175 5.720 -0.799 1.00 0.00 C ATOM 0 H ILE A 82 11.884 4.899 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 82 11.882 7.699 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 82 10.508 5.461 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.478 7.103 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.002 5.433 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.884 7.220 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.526 7.598 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.868 8.430 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.574 5.583 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.240 4.776 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.708 6.471 -0.162 1.00 0.00 H new ATOM 1245 N ALA A 83 12.888 5.703 1.466 1.00 0.00 N ATOM 1246 CA ALA A 83 13.612 5.647 2.712 1.00 0.00 C ATOM 1247 C ALA A 83 15.108 5.653 2.470 1.00 0.00 C ATOM 1248 O ALA A 83 15.890 6.053 3.345 1.00 0.00 O ATOM 1249 CB ALA A 83 13.191 4.423 3.505 1.00 0.00 C ATOM 0 H ALA A 83 12.508 4.809 1.157 1.00 0.00 H new ATOM 0 HA ALA A 83 13.370 6.535 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.744 4.390 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.123 4.475 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.404 3.524 2.927 1.00 0.00 H new