USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 628 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 47 TYR OH : rot -81:sc= 0.262 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.846 X(o=-0.58,f=-0.5) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0811) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.003) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.826 -0.785 5.981 1.00 0.00 N ATOM 43 CA LEU A 3 -12.422 -0.937 5.618 1.00 0.00 C ATOM 44 C LEU A 3 -11.926 -2.343 5.940 1.00 0.00 C ATOM 45 O LEU A 3 -12.440 -3.003 6.843 1.00 0.00 O ATOM 46 CB LEU A 3 -11.569 0.098 6.355 1.00 0.00 C ATOM 47 CG LEU A 3 -11.781 1.556 5.946 1.00 0.00 C ATOM 48 CD1 LEU A 3 -10.894 2.476 6.770 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.506 1.738 4.460 1.00 0.00 C ATOM 0 HA LEU A 3 -12.330 -0.776 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.767 0.009 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.519 -0.152 6.204 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.821 1.820 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.059 3.509 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.138 2.366 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.848 2.213 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.662 2.782 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.476 1.456 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.183 1.107 3.885 1.00 0.00 H new ATOM 61 N VAL A 4 -10.921 -2.796 5.196 1.00 0.00 N ATOM 62 CA VAL A 4 -10.353 -4.122 5.404 1.00 0.00 C ATOM 63 C VAL A 4 -8.844 -4.114 5.185 1.00 0.00 C ATOM 64 O VAL A 4 -8.332 -3.366 4.353 1.00 0.00 O ATOM 65 CB VAL A 4 -10.992 -5.160 4.463 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.345 -5.604 4.997 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.123 -4.595 3.057 1.00 0.00 C ATOM 0 H VAL A 4 -10.484 -2.263 4.444 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.566 -4.399 6.436 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.342 -6.034 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.781 -6.337 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.218 -6.052 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.007 -4.741 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.576 -5.342 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.751 -3.704 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.136 -4.333 2.677 1.00 0.00 H new ATOM 77 N GLU A 5 -8.138 -4.952 5.937 1.00 0.00 N ATOM 78 CA GLU A 5 -6.687 -5.041 5.825 1.00 0.00 C ATOM 79 C GLU A 5 -6.285 -5.967 4.680 1.00 0.00 C ATOM 80 O GLU A 5 -6.465 -7.183 4.760 1.00 0.00 O ATOM 81 CB GLU A 5 -6.081 -5.542 7.137 1.00 0.00 C ATOM 82 CG GLU A 5 -4.581 -5.776 7.065 1.00 0.00 C ATOM 83 CD GLU A 5 -3.982 -6.138 8.410 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.595 -5.800 9.444 1.00 0.00 O ATOM 85 OE2 GLU A 5 -2.900 -6.761 8.428 1.00 0.00 O ATOM 0 H GLU A 5 -8.547 -5.579 6.630 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.303 -4.043 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.290 -4.817 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.572 -6.472 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.376 -6.575 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.095 -4.878 6.685 1.00 0.00 H new ATOM 92 N ILE A 6 -5.743 -5.384 3.617 1.00 0.00 N ATOM 93 CA ILE A 6 -5.316 -6.156 2.457 1.00 0.00 C ATOM 94 C ILE A 6 -3.821 -6.453 2.514 1.00 0.00 C ATOM 95 O ILE A 6 -3.375 -7.529 2.116 1.00 0.00 O ATOM 96 CB ILE A 6 -5.631 -5.419 1.142 1.00 0.00 C ATOM 97 CG1 ILE A 6 -5.027 -4.013 1.163 1.00 0.00 C ATOM 98 CG2 ILE A 6 -7.135 -5.352 0.920 1.00 0.00 C ATOM 99 CD1 ILE A 6 -5.126 -3.293 -0.163 1.00 0.00 C ATOM 0 H ILE A 6 -5.589 -4.379 3.535 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.872 -7.093 2.481 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.186 -5.973 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.531 -3.421 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.978 -4.081 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.342 -4.828 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.540 -6.362 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.601 -4.817 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.678 -2.303 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.597 -3.863 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.174 -3.193 -0.445 1.00 0.00 H new ATOM 111 N GLY A 7 -3.051 -5.492 3.015 1.00 0.00 N ATOM 112 CA GLY A 7 -1.614 -5.670 3.117 1.00 0.00 C ATOM 113 C GLY A 7 -0.998 -4.808 4.201 1.00 0.00 C ATOM 114 O GLY A 7 -1.696 -4.039 4.863 1.00 0.00 O ATOM 0 H GLY A 7 -3.396 -4.593 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.395 -6.718 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.152 -5.429 2.159 1.00 0.00 H new ATOM 118 N ARG A 8 0.312 -4.936 4.384 1.00 0.00 N ATOM 119 CA ARG A 8 1.020 -4.164 5.398 1.00 0.00 C ATOM 120 C ARG A 8 2.413 -3.776 4.910 1.00 0.00 C ATOM 121 O ARG A 8 3.069 -4.539 4.201 1.00 0.00 O ATOM 122 CB ARG A 8 1.128 -4.965 6.697 1.00 0.00 C ATOM 123 CG ARG A 8 2.177 -4.429 7.657 1.00 0.00 C ATOM 124 CD ARG A 8 3.545 -5.033 7.382 1.00 0.00 C ATOM 125 NE ARG A 8 4.466 -4.834 8.498 1.00 0.00 N ATOM 126 CZ ARG A 8 5.613 -5.490 8.630 1.00 0.00 C ATOM 127 NH1 ARG A 8 5.979 -6.382 7.720 1.00 0.00 N ATOM 128 NH2 ARG A 8 6.398 -5.253 9.674 1.00 0.00 N ATOM 0 H ARG A 8 0.904 -5.567 3.844 1.00 0.00 H new ATOM 0 HA ARG A 8 0.452 -3.253 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.158 -4.966 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.364 -6.002 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.233 -3.344 7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.880 -4.650 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.437 -6.100 7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.965 -4.585 6.481 1.00 0.00 H new ATOM 0 HE ARG A 8 4.214 -4.154 9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.379 -6.566 6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.861 -6.884 7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.120 -4.567 10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.279 -5.757 9.775 1.00 0.00 H new ATOM 142 N PHE A 9 2.859 -2.585 5.295 1.00 0.00 N ATOM 143 CA PHE A 9 4.173 -2.094 4.895 1.00 0.00 C ATOM 144 C PHE A 9 5.278 -2.813 5.664 1.00 0.00 C ATOM 145 O PHE A 9 5.328 -2.764 6.892 1.00 0.00 O ATOM 146 CB PHE A 9 4.271 -0.586 5.131 1.00 0.00 C ATOM 147 CG PHE A 9 3.341 0.218 4.267 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.285 0.002 2.899 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.522 1.187 4.823 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.430 0.741 2.103 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.665 1.928 4.031 1.00 0.00 C ATOM 152 CZ PHE A 9 1.619 1.704 2.669 1.00 0.00 C ATOM 0 H PHE A 9 2.330 -1.942 5.884 1.00 0.00 H new ATOM 0 HA PHE A 9 4.302 -2.297 3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.054 -0.375 6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.296 -0.263 4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.916 -0.751 2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.553 1.366 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.396 0.565 1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.032 2.681 4.477 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.950 2.281 2.048 1.00 0.00 H new ATOM 162 N GLY A 10 6.163 -3.481 4.930 1.00 0.00 N ATOM 163 CA GLY A 10 7.255 -4.201 5.558 1.00 0.00 C ATOM 164 C GLY A 10 8.488 -3.339 5.742 1.00 0.00 C ATOM 165 O GLY A 10 8.672 -2.723 6.791 1.00 0.00 O ATOM 0 H GLY A 10 6.143 -3.536 3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.929 -4.575 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.510 -5.070 4.951 1.00 0.00 H new ATOM 169 N ALA A 11 9.336 -3.298 4.720 1.00 0.00 N ATOM 170 CA ALA A 11 10.558 -2.505 4.773 1.00 0.00 C ATOM 171 C ALA A 11 10.551 -1.412 3.710 1.00 0.00 C ATOM 172 O ALA A 11 9.911 -1.534 2.665 1.00 0.00 O ATOM 173 CB ALA A 11 11.777 -3.401 4.604 1.00 0.00 C ATOM 0 H ALA A 11 9.199 -3.805 3.845 1.00 0.00 H new ATOM 0 HA ALA A 11 10.607 -2.024 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.682 -2.795 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.798 -4.141 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.724 -3.909 3.641 1.00 0.00 H new ATOM 179 N PRO A 12 11.278 -0.318 3.980 1.00 0.00 N ATOM 180 CA PRO A 12 11.370 0.818 3.057 1.00 0.00 C ATOM 181 C PRO A 12 12.165 0.481 1.800 1.00 0.00 C ATOM 182 O PRO A 12 13.334 0.102 1.876 1.00 0.00 O ATOM 183 CB PRO A 12 12.098 1.884 3.880 1.00 0.00 C ATOM 184 CG PRO A 12 12.883 1.116 4.886 1.00 0.00 C ATOM 185 CD PRO A 12 12.065 -0.105 5.205 1.00 0.00 C ATOM 0 HA PRO A 12 10.390 1.132 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.748 2.493 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.393 2.562 4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.860 0.839 4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.060 1.712 5.781 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.697 -0.964 5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.424 0.056 6.072 1.00 0.00 H new ATOM 193 N TYR A 13 11.524 0.621 0.646 1.00 0.00 N ATOM 194 CA TYR A 13 12.171 0.329 -0.628 1.00 0.00 C ATOM 195 C TYR A 13 13.357 1.259 -0.862 1.00 0.00 C ATOM 196 O TYR A 13 13.641 2.138 -0.049 1.00 0.00 O ATOM 197 CB TYR A 13 11.168 0.464 -1.776 1.00 0.00 C ATOM 198 CG TYR A 13 11.594 -0.249 -3.039 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.643 -1.637 -3.093 1.00 0.00 C ATOM 200 CD2 TYR A 13 11.949 0.463 -4.177 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.032 -2.294 -4.244 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.337 -0.185 -5.334 1.00 0.00 C ATOM 203 CZ TYR A 13 12.378 -1.563 -5.362 1.00 0.00 C ATOM 204 OH TYR A 13 12.766 -2.213 -6.512 1.00 0.00 O ATOM 0 H TYR A 13 10.557 0.935 0.566 1.00 0.00 H new ATOM 0 HA TYR A 13 12.538 -0.697 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.204 0.070 -1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.022 1.521 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.372 -2.212 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.921 1.542 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.065 -3.373 -4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.607 0.384 -6.211 1.00 0.00 H new ATOM 0 HH TYR A 13 12.975 -1.553 -7.206 1.00 0.00 H new ATOM 214 N ALA A 14 14.046 1.058 -1.981 1.00 0.00 N ATOM 215 CA ALA A 14 15.201 1.879 -2.325 1.00 0.00 C ATOM 216 C ALA A 14 14.930 3.353 -2.043 1.00 0.00 C ATOM 217 O ALA A 14 13.785 3.754 -1.827 1.00 0.00 O ATOM 218 CB ALA A 14 15.574 1.679 -3.786 1.00 0.00 C ATOM 0 H ALA A 14 13.824 0.334 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 14 16.038 1.565 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.438 2.298 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.818 0.631 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.734 1.965 -4.418 1.00 0.00 H new ATOM 224 N LEU A 15 15.989 4.155 -2.044 1.00 0.00 N ATOM 225 CA LEU A 15 15.865 5.586 -1.787 1.00 0.00 C ATOM 226 C LEU A 15 14.789 6.207 -2.673 1.00 0.00 C ATOM 227 O LEU A 15 14.226 7.251 -2.344 1.00 0.00 O ATOM 228 CB LEU A 15 17.205 6.284 -2.027 1.00 0.00 C ATOM 229 CG LEU A 15 18.437 5.591 -1.444 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.680 6.438 -1.665 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.238 5.307 0.037 1.00 0.00 C ATOM 0 H LEU A 15 16.943 3.839 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 15 15.573 5.720 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.348 6.392 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.148 7.290 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 15 18.574 4.641 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.547 5.929 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.832 6.589 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.554 7.404 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.125 4.814 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.075 6.245 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.372 4.659 0.170 1.00 0.00 H new ATOM 243 N LYS A 16 14.507 5.556 -3.796 1.00 0.00 N ATOM 244 CA LYS A 16 13.496 6.041 -4.728 1.00 0.00 C ATOM 245 C LYS A 16 12.254 6.521 -3.983 1.00 0.00 C ATOM 246 O LYS A 16 11.495 7.345 -4.490 1.00 0.00 O ATOM 247 CB LYS A 16 13.115 4.939 -5.719 1.00 0.00 C ATOM 248 CG LYS A 16 13.974 4.924 -6.972 1.00 0.00 C ATOM 249 CD LYS A 16 15.284 4.190 -6.741 1.00 0.00 C ATOM 250 CE LYS A 16 16.032 3.960 -8.046 1.00 0.00 C ATOM 251 NZ LYS A 16 15.383 2.909 -8.879 1.00 0.00 N ATOM 0 H LYS A 16 14.965 4.691 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 16 13.918 6.884 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.195 3.972 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.071 5.065 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.426 4.446 -7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.180 5.947 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.909 4.766 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.086 3.232 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.077 4.893 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.060 3.669 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.014 2.649 -9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.194 2.070 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.487 3.273 -9.262 1.00 0.00 H new ATOM 265 N GLY A 17 12.056 5.999 -2.776 1.00 0.00 N ATOM 266 CA GLY A 17 10.905 6.388 -1.981 1.00 0.00 C ATOM 267 C GLY A 17 9.816 5.334 -1.984 1.00 0.00 C ATOM 268 O GLY A 17 8.687 5.597 -1.573 1.00 0.00 O ATOM 0 H GLY A 17 12.671 5.315 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.222 6.575 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.501 7.324 -2.366 1.00 0.00 H new ATOM 272 N GLY A 18 10.155 4.136 -2.451 1.00 0.00 N ATOM 273 CA GLY A 18 9.185 3.057 -2.500 1.00 0.00 C ATOM 274 C GLY A 18 9.013 2.372 -1.158 1.00 0.00 C ATOM 275 O GLY A 18 9.881 2.464 -0.289 1.00 0.00 O ATOM 0 H GLY A 18 11.084 3.893 -2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.224 3.451 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.500 2.323 -3.242 1.00 0.00 H new ATOM 279 N LEU A 19 7.889 1.685 -0.987 1.00 0.00 N ATOM 280 CA LEU A 19 7.604 0.983 0.260 1.00 0.00 C ATOM 281 C LEU A 19 7.102 -0.431 -0.015 1.00 0.00 C ATOM 282 O LEU A 19 6.124 -0.624 -0.737 1.00 0.00 O ATOM 283 CB LEU A 19 6.567 1.755 1.077 1.00 0.00 C ATOM 284 CG LEU A 19 7.085 2.978 1.835 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.927 3.839 2.314 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.955 2.550 3.008 1.00 0.00 C ATOM 0 H LEU A 19 7.160 1.599 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 19 8.530 0.916 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.772 2.079 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.117 1.070 1.796 1.00 0.00 H new ATOM 0 HG LEU A 19 7.695 3.572 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.315 4.704 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.345 4.175 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.290 3.255 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.315 3.433 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.369 1.934 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.805 1.976 2.640 1.00 0.00 H new ATOM 298 N ARG A 20 7.776 -1.417 0.569 1.00 0.00 N ATOM 299 CA ARG A 20 7.398 -2.813 0.388 1.00 0.00 C ATOM 300 C ARG A 20 6.015 -3.082 0.976 1.00 0.00 C ATOM 301 O ARG A 20 5.856 -3.190 2.192 1.00 0.00 O ATOM 302 CB ARG A 20 8.430 -3.732 1.044 1.00 0.00 C ATOM 303 CG ARG A 20 9.650 -3.995 0.176 1.00 0.00 C ATOM 304 CD ARG A 20 10.844 -4.431 1.011 1.00 0.00 C ATOM 305 NE ARG A 20 10.636 -5.743 1.619 1.00 0.00 N ATOM 306 CZ ARG A 20 11.581 -6.406 2.276 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.792 -5.883 2.411 1.00 0.00 N ATOM 308 NH2 ARG A 20 11.315 -7.595 2.801 1.00 0.00 N ATOM 0 H ARG A 20 8.587 -1.274 1.171 1.00 0.00 H new ATOM 0 HA ARG A 20 7.366 -3.019 -0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.753 -3.288 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.955 -4.683 1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.416 -4.767 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.904 -3.093 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.735 -4.459 0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.028 -3.694 1.793 1.00 0.00 H new ATOM 0 HE ARG A 20 9.715 -6.173 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.000 -4.969 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.515 -6.395 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.384 -8.000 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.041 -8.104 3.305 1.00 0.00 H new ATOM 322 N PHE A 21 5.018 -3.189 0.104 1.00 0.00 N ATOM 323 CA PHE A 21 3.649 -3.444 0.536 1.00 0.00 C ATOM 324 C PHE A 21 3.251 -4.890 0.257 1.00 0.00 C ATOM 325 O PHE A 21 3.130 -5.300 -0.898 1.00 0.00 O ATOM 326 CB PHE A 21 2.683 -2.491 -0.172 1.00 0.00 C ATOM 327 CG PHE A 21 1.257 -2.964 -0.157 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.521 -2.952 1.017 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.653 -3.420 -1.318 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.791 -3.386 1.034 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.659 -3.854 -1.307 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.382 -3.839 -0.130 1.00 0.00 C ATOM 0 H PHE A 21 5.133 -3.103 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 21 3.595 -3.272 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.738 -1.512 0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.004 -2.362 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.978 -2.599 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.214 -3.436 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.354 -3.371 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.119 -4.205 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.407 -4.180 -0.120 1.00 0.00 H new ATOM 342 N ARG A 22 3.049 -5.658 1.323 1.00 0.00 N ATOM 343 CA ARG A 22 2.666 -7.059 1.193 1.00 0.00 C ATOM 344 C ARG A 22 1.168 -7.237 1.425 1.00 0.00 C ATOM 345 O ARG A 22 0.712 -7.326 2.563 1.00 0.00 O ATOM 346 CB ARG A 22 3.452 -7.918 2.186 1.00 0.00 C ATOM 347 CG ARG A 22 3.208 -9.410 2.026 1.00 0.00 C ATOM 348 CD ARG A 22 4.022 -10.217 3.026 1.00 0.00 C ATOM 349 NE ARG A 22 4.146 -11.616 2.627 1.00 0.00 N ATOM 350 CZ ARG A 22 3.134 -12.477 2.642 1.00 0.00 C ATOM 351 NH1 ARG A 22 1.930 -12.083 3.034 1.00 0.00 N ATOM 352 NH2 ARG A 22 3.326 -13.735 2.265 1.00 0.00 N ATOM 0 H ARG A 22 3.144 -5.334 2.285 1.00 0.00 H new ATOM 0 HA ARG A 22 2.900 -7.381 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.516 -7.717 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.186 -7.621 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.148 -9.623 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.468 -9.716 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.015 -9.778 3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.551 -10.160 4.007 1.00 0.00 H new ATOM 0 HE ARG A 22 5.059 -11.951 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.779 -11.117 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.155 -12.746 3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.251 -14.042 1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.549 -14.395 2.277 1.00 0.00 H new ATOM 366 N GLY A 23 0.408 -7.287 0.335 1.00 0.00 N ATOM 367 CA GLY A 23 -1.030 -7.453 0.440 1.00 0.00 C ATOM 368 C GLY A 23 -1.591 -8.349 -0.647 1.00 0.00 C ATOM 369 O GLY A 23 -0.871 -8.755 -1.558 1.00 0.00 O ATOM 0 H GLY A 23 0.763 -7.216 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.274 -7.874 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.510 -6.476 0.385 1.00 0.00 H new ATOM 373 N GLU A 24 -2.880 -8.658 -0.549 1.00 0.00 N ATOM 374 CA GLU A 24 -3.536 -9.514 -1.531 1.00 0.00 C ATOM 375 C GLU A 24 -3.294 -9.001 -2.948 1.00 0.00 C ATOM 376 O GLU A 24 -2.981 -7.830 -3.166 1.00 0.00 O ATOM 377 CB GLU A 24 -5.039 -9.587 -1.254 1.00 0.00 C ATOM 378 CG GLU A 24 -5.412 -10.607 -0.191 1.00 0.00 C ATOM 379 CD GLU A 24 -6.808 -11.167 -0.385 1.00 0.00 C ATOM 380 OE1 GLU A 24 -7.137 -11.564 -1.522 1.00 0.00 O ATOM 381 OE2 GLU A 24 -7.573 -11.208 0.602 1.00 0.00 O ATOM 0 H GLU A 24 -3.490 -8.329 0.199 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.109 -10.513 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.391 -8.604 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.559 -9.832 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.691 -11.424 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.344 -10.143 0.793 1.00 0.00 H new ATOM 388 N PRO A 25 -3.441 -9.897 -3.935 1.00 0.00 N ATOM 389 CA PRO A 25 -3.243 -9.559 -5.347 1.00 0.00 C ATOM 390 C PRO A 25 -4.339 -8.644 -5.883 1.00 0.00 C ATOM 391 O PRO A 25 -4.191 -8.038 -6.945 1.00 0.00 O ATOM 392 CB PRO A 25 -3.293 -10.919 -6.048 1.00 0.00 C ATOM 393 CG PRO A 25 -4.106 -11.781 -5.145 1.00 0.00 C ATOM 394 CD PRO A 25 -3.812 -11.310 -3.747 1.00 0.00 C ATOM 0 HA PRO A 25 -2.313 -9.014 -5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.749 -10.839 -7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.293 -11.328 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.168 -11.691 -5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.842 -12.832 -5.266 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.680 -11.415 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.003 -11.881 -3.292 1.00 0.00 H new ATOM 402 N VAL A 26 -5.437 -8.546 -5.142 1.00 0.00 N ATOM 403 CA VAL A 26 -6.558 -7.703 -5.542 1.00 0.00 C ATOM 404 C VAL A 26 -6.173 -6.228 -5.511 1.00 0.00 C ATOM 405 O VAL A 26 -6.895 -5.376 -6.030 1.00 0.00 O ATOM 406 CB VAL A 26 -7.779 -7.923 -4.630 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.472 -7.477 -3.209 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.992 -7.186 -5.178 1.00 0.00 C ATOM 0 H VAL A 26 -5.575 -9.040 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.820 -7.986 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.008 -8.989 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.347 -7.640 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.632 -8.053 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.216 -6.417 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.846 -7.352 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.776 -6.119 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.224 -7.558 -6.176 1.00 0.00 H new ATOM 418 N VAL A 27 -5.031 -5.932 -4.899 1.00 0.00 N ATOM 419 CA VAL A 27 -4.549 -4.560 -4.802 1.00 0.00 C ATOM 420 C VAL A 27 -4.200 -4.001 -6.176 1.00 0.00 C ATOM 421 O VAL A 27 -4.169 -2.785 -6.375 1.00 0.00 O ATOM 422 CB VAL A 27 -3.310 -4.463 -3.891 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.106 -5.111 -4.557 1.00 0.00 C ATOM 424 CG2 VAL A 27 -3.019 -3.012 -3.541 1.00 0.00 C ATOM 0 H VAL A 27 -4.422 -6.625 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.357 -3.971 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.517 -5.001 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.240 -5.033 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.320 -6.162 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.894 -4.603 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.141 -2.962 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.832 -2.448 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.876 -2.585 -3.020 1.00 0.00 H new ATOM 434 N LEU A 28 -3.939 -4.895 -7.124 1.00 0.00 N ATOM 435 CA LEU A 28 -3.593 -4.491 -8.482 1.00 0.00 C ATOM 436 C LEU A 28 -4.781 -3.829 -9.173 1.00 0.00 C ATOM 437 O LEU A 28 -4.662 -3.330 -10.292 1.00 0.00 O ATOM 438 CB LEU A 28 -3.129 -5.703 -9.292 1.00 0.00 C ATOM 439 CG LEU A 28 -2.018 -6.545 -8.663 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.586 -7.653 -9.611 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.832 -5.669 -8.288 1.00 0.00 C ATOM 0 H LEU A 28 -3.961 -5.904 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.781 -3.767 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.990 -6.348 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.786 -5.354 -10.266 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.407 -7.004 -7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.795 -8.242 -9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.437 -8.298 -9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.216 -7.215 -10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.051 -6.285 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.443 -5.181 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.151 -4.912 -7.571 1.00 0.00 H new ATOM 453 N HIS A 29 -5.925 -3.825 -8.497 1.00 0.00 N ATOM 454 CA HIS A 29 -7.134 -3.221 -9.044 1.00 0.00 C ATOM 455 C HIS A 29 -7.519 -1.969 -8.260 1.00 0.00 C ATOM 456 O HIS A 29 -8.466 -1.268 -8.617 1.00 0.00 O ATOM 457 CB HIS A 29 -8.287 -4.225 -9.022 1.00 0.00 C ATOM 458 CG HIS A 29 -8.188 -5.274 -10.086 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.793 -5.155 -11.320 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.547 -6.466 -10.097 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.530 -6.229 -12.042 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.776 -7.041 -11.323 1.00 0.00 N ATOM 0 H HIS A 29 -6.040 -4.233 -7.569 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.932 -2.934 -10.076 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.317 -4.710 -8.046 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.228 -3.688 -9.139 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.964 -6.887 -9.291 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.873 -6.412 -13.049 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.422 -7.947 -11.629 1.00 0.00 H new ATOM 470 N LEU A 30 -6.779 -1.696 -7.191 1.00 0.00 N ATOM 471 CA LEU A 30 -7.043 -0.530 -6.356 1.00 0.00 C ATOM 472 C LEU A 30 -6.379 0.715 -6.934 1.00 0.00 C ATOM 473 O LEU A 30 -5.626 0.635 -7.904 1.00 0.00 O ATOM 474 CB LEU A 30 -6.543 -0.775 -4.931 1.00 0.00 C ATOM 475 CG LEU A 30 -7.342 -1.781 -4.103 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.633 -2.073 -2.789 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.750 -1.263 -3.847 1.00 0.00 C ATOM 0 H LEU A 30 -5.992 -2.266 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.120 -0.366 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.510 -1.118 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.536 0.177 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.415 -2.710 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.216 -2.791 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.646 -2.488 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.528 -1.150 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.304 -1.992 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.697 -0.320 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.258 -1.105 -4.798 1.00 0.00 H new ATOM 489 N GLU A 31 -6.661 1.865 -6.330 1.00 0.00 N ATOM 490 CA GLU A 31 -6.089 3.127 -6.784 1.00 0.00 C ATOM 491 C GLU A 31 -5.443 3.880 -5.625 1.00 0.00 C ATOM 492 O GLU A 31 -4.352 4.434 -5.763 1.00 0.00 O ATOM 493 CB GLU A 31 -7.167 3.997 -7.434 1.00 0.00 C ATOM 494 CG GLU A 31 -7.570 3.531 -8.823 1.00 0.00 C ATOM 495 CD GLU A 31 -8.561 4.467 -9.488 1.00 0.00 C ATOM 496 OE1 GLU A 31 -9.663 4.656 -8.932 1.00 0.00 O ATOM 497 OE2 GLU A 31 -8.235 5.010 -10.564 1.00 0.00 O ATOM 0 H GLU A 31 -7.282 1.949 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.319 2.902 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.049 4.007 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.806 5.023 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.680 3.448 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.006 2.534 -8.755 1.00 0.00 H new ATOM 504 N ARG A 32 -6.124 3.897 -4.485 1.00 0.00 N ATOM 505 CA ARG A 32 -5.618 4.583 -3.302 1.00 0.00 C ATOM 506 C ARG A 32 -5.431 3.606 -2.145 1.00 0.00 C ATOM 507 O ARG A 32 -5.816 2.441 -2.234 1.00 0.00 O ATOM 508 CB ARG A 32 -6.574 5.703 -2.888 1.00 0.00 C ATOM 509 CG ARG A 32 -7.846 5.203 -2.223 1.00 0.00 C ATOM 510 CD ARG A 32 -8.547 6.313 -1.455 1.00 0.00 C ATOM 511 NE ARG A 32 -9.204 7.265 -2.346 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.006 8.236 -1.923 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.248 8.382 -0.628 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.567 9.063 -2.796 1.00 0.00 N ATOM 0 H ARG A 32 -7.028 3.443 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.649 5.015 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.057 6.376 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.840 6.286 -3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.520 4.801 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.605 4.385 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.286 5.877 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.821 6.839 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.038 7.180 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.818 7.748 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.864 9.128 -0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.383 8.954 -3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.183 9.808 -2.470 1.00 0.00 H new ATOM 528 N VAL A 33 -4.835 4.090 -1.060 1.00 0.00 N ATOM 529 CA VAL A 33 -4.596 3.260 0.115 1.00 0.00 C ATOM 530 C VAL A 33 -4.743 4.070 1.399 1.00 0.00 C ATOM 531 O VAL A 33 -4.868 5.294 1.362 1.00 0.00 O ATOM 532 CB VAL A 33 -3.193 2.626 0.079 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.122 1.547 -0.991 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.133 3.692 -0.156 1.00 0.00 C ATOM 0 H VAL A 33 -4.509 5.052 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.345 2.468 0.100 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.999 2.160 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.123 1.110 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.855 0.770 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.336 1.986 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.148 3.227 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.321 4.189 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.170 4.425 0.650 1.00 0.00 H new ATOM 544 N TYR A 34 -4.728 3.378 2.533 1.00 0.00 N ATOM 545 CA TYR A 34 -4.861 4.033 3.829 1.00 0.00 C ATOM 546 C TYR A 34 -3.766 3.573 4.786 1.00 0.00 C ATOM 547 O TYR A 34 -3.675 2.393 5.124 1.00 0.00 O ATOM 548 CB TYR A 34 -6.236 3.741 4.432 1.00 0.00 C ATOM 549 CG TYR A 34 -6.392 4.235 5.852 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.638 5.303 6.324 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.294 3.636 6.722 1.00 0.00 C ATOM 552 CE1 TYR A 34 -5.776 5.757 7.621 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.441 4.085 8.021 1.00 0.00 C ATOM 554 CZ TYR A 34 -6.679 5.145 8.465 1.00 0.00 C ATOM 555 OH TYR A 34 -6.821 5.596 9.758 1.00 0.00 O ATOM 0 H TYR A 34 -4.625 2.364 2.581 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.758 5.108 3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.002 4.203 3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.413 2.666 4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.932 5.786 5.665 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.891 2.805 6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.180 6.586 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.148 3.609 8.684 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.498 5.058 10.220 1.00 0.00 H new ATOM 565 N VAL A 35 -2.936 4.516 5.221 1.00 0.00 N ATOM 566 CA VAL A 35 -1.847 4.211 6.141 1.00 0.00 C ATOM 567 C VAL A 35 -2.338 4.180 7.584 1.00 0.00 C ATOM 568 O VAL A 35 -2.429 5.217 8.241 1.00 0.00 O ATOM 569 CB VAL A 35 -0.705 5.238 6.021 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.488 4.811 6.862 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.305 5.421 4.565 1.00 0.00 C ATOM 0 H VAL A 35 -2.997 5.498 4.951 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.470 3.226 5.867 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.060 6.197 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.285 5.549 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.188 4.737 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.847 3.841 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.503 6.150 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.032 4.468 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.163 5.777 3.994 1.00 0.00 H new ATOM 581 N GLU A 36 -2.654 2.984 8.071 1.00 0.00 N ATOM 582 CA GLU A 36 -3.137 2.819 9.437 1.00 0.00 C ATOM 583 C GLU A 36 -2.097 3.301 10.444 1.00 0.00 C ATOM 584 O GLU A 36 -1.143 2.590 10.756 1.00 0.00 O ATOM 585 CB GLU A 36 -3.482 1.353 9.706 1.00 0.00 C ATOM 586 CG GLU A 36 -3.828 1.065 11.157 1.00 0.00 C ATOM 587 CD GLU A 36 -5.308 1.224 11.446 1.00 0.00 C ATOM 588 OE1 GLU A 36 -5.971 2.010 10.737 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.803 0.562 12.382 1.00 0.00 O ATOM 0 H GLU A 36 -2.584 2.116 7.540 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.037 3.424 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.324 1.065 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.637 0.730 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.520 0.049 11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.261 1.737 11.802 1.00 0.00 H new ATOM 596 N GLY A 37 -2.289 4.517 10.948 1.00 0.00 N ATOM 597 CA GLY A 37 -1.360 5.075 11.913 1.00 0.00 C ATOM 598 C GLY A 37 -1.158 6.566 11.729 1.00 0.00 C ATOM 599 O GLY A 37 -1.042 7.309 12.704 1.00 0.00 O ATOM 0 H GLY A 37 -3.071 5.125 10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.729 4.883 12.921 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.399 4.568 11.823 1.00 0.00 H new ATOM 603 N HIS A 38 -1.113 7.005 10.475 1.00 0.00 N ATOM 604 CA HIS A 38 -0.922 8.417 10.166 1.00 0.00 C ATOM 605 C HIS A 38 -2.130 8.979 9.421 1.00 0.00 C ATOM 606 O HIS A 38 -2.970 9.661 10.005 1.00 0.00 O ATOM 607 CB HIS A 38 0.343 8.612 9.330 1.00 0.00 C ATOM 608 CG HIS A 38 1.608 8.362 10.092 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.793 9.012 9.817 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.869 7.528 11.125 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.728 8.588 10.648 1.00 0.00 C ATOM 612 NE2 HIS A 38 3.194 7.687 11.452 1.00 0.00 N ATOM 0 H HIS A 38 -1.206 6.403 9.657 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.814 8.957 11.106 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.308 7.942 8.471 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.358 9.630 8.941 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.167 6.861 11.603 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.755 8.922 10.667 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.685 7.190 12.195 1.00 0.00 H new ATOM 620 N GLY A 39 -2.208 8.687 8.126 1.00 0.00 N ATOM 621 CA GLY A 39 -3.316 9.171 7.322 1.00 0.00 C ATOM 622 C GLY A 39 -3.481 8.390 6.034 1.00 0.00 C ATOM 623 O GLY A 39 -2.729 7.453 5.767 1.00 0.00 O ATOM 0 H GLY A 39 -1.524 8.124 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.237 9.108 7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.158 10.224 7.087 1.00 0.00 H new ATOM 627 N TRP A 40 -4.469 8.775 5.234 1.00 0.00 N ATOM 628 CA TRP A 40 -4.732 8.103 3.966 1.00 0.00 C ATOM 629 C TRP A 40 -3.710 8.512 2.911 1.00 0.00 C ATOM 630 O TRP A 40 -3.301 9.671 2.846 1.00 0.00 O ATOM 631 CB TRP A 40 -6.145 8.426 3.478 1.00 0.00 C ATOM 632 CG TRP A 40 -7.190 7.506 4.032 1.00 0.00 C ATOM 633 CD1 TRP A 40 -7.729 7.539 5.286 1.00 0.00 C ATOM 634 CD2 TRP A 40 -7.820 6.416 3.351 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.657 6.535 5.426 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.731 5.832 4.252 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.704 5.877 2.067 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.520 4.737 3.909 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.487 4.790 1.728 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.386 4.230 2.645 1.00 0.00 C ATOM 0 H TRP A 40 -5.101 9.549 5.441 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.648 7.028 4.128 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.391 9.451 3.754 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.166 8.375 2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.465 8.250 6.055 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.202 6.344 6.267 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.015 6.302 1.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.213 4.303 4.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.404 4.365 0.739 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.985 3.382 2.349 1.00 0.00 H new ATOM 651 N ARG A 41 -3.301 7.553 2.087 1.00 0.00 N ATOM 652 CA ARG A 41 -2.326 7.814 1.035 1.00 0.00 C ATOM 653 C ARG A 41 -2.829 7.303 -0.312 1.00 0.00 C ATOM 654 O ARG A 41 -3.785 6.531 -0.376 1.00 0.00 O ATOM 655 CB ARG A 41 -0.988 7.154 1.375 1.00 0.00 C ATOM 656 CG ARG A 41 -0.168 7.929 2.394 1.00 0.00 C ATOM 657 CD ARG A 41 0.397 9.208 1.796 1.00 0.00 C ATOM 658 NE ARG A 41 0.926 10.104 2.821 1.00 0.00 N ATOM 659 CZ ARG A 41 1.228 11.378 2.598 1.00 0.00 C ATOM 660 NH1 ARG A 41 1.055 11.904 1.393 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.705 12.130 3.582 1.00 0.00 N ATOM 0 H ARG A 41 -3.630 6.588 2.128 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.185 8.893 0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.174 6.151 1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.405 7.043 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.791 8.172 3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.648 7.304 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.188 8.959 1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.383 9.721 1.234 1.00 0.00 H new ATOM 0 HE ARG A 41 1.071 9.731 3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.689 11.330 0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.288 12.883 1.226 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.840 11.730 4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.937 13.108 3.410 1.00 0.00 H new ATOM 675 N ALA A 42 -2.178 7.741 -1.385 1.00 0.00 N ATOM 676 CA ALA A 42 -2.558 7.327 -2.730 1.00 0.00 C ATOM 677 C ALA A 42 -1.438 6.539 -3.399 1.00 0.00 C ATOM 678 O ALA A 42 -0.264 6.708 -3.069 1.00 0.00 O ATOM 679 CB ALA A 42 -2.928 8.540 -3.571 1.00 0.00 C ATOM 0 H ALA A 42 -1.385 8.382 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.428 6.675 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.210 8.216 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.767 9.061 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.073 9.213 -3.634 1.00 0.00 H new ATOM 685 N ILE A 43 -1.807 5.677 -4.341 1.00 0.00 N ATOM 686 CA ILE A 43 -0.832 4.863 -5.056 1.00 0.00 C ATOM 687 C ILE A 43 -0.422 5.523 -6.368 1.00 0.00 C ATOM 688 O ILE A 43 -1.267 6.003 -7.123 1.00 0.00 O ATOM 689 CB ILE A 43 -1.383 3.456 -5.353 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.586 2.679 -4.050 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.443 2.704 -6.283 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.077 1.264 -4.261 1.00 0.00 C ATOM 0 H ILE A 43 -2.774 5.525 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 43 0.040 4.774 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.349 3.557 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.644 2.650 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.301 3.214 -3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.846 1.711 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.344 3.251 -7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.536 2.610 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.198 0.773 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.035 1.285 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.352 0.713 -4.859 1.00 0.00 H new ATOM 704 N GLU A 44 0.880 5.541 -6.634 1.00 0.00 N ATOM 705 CA GLU A 44 1.402 6.142 -7.856 1.00 0.00 C ATOM 706 C GLU A 44 1.985 5.076 -8.779 1.00 0.00 C ATOM 707 O GLU A 44 1.762 5.099 -9.990 1.00 0.00 O ATOM 708 CB GLU A 44 2.471 7.184 -7.522 1.00 0.00 C ATOM 709 CG GLU A 44 1.940 8.371 -6.736 1.00 0.00 C ATOM 710 CD GLU A 44 2.768 9.624 -6.941 1.00 0.00 C ATOM 711 OE1 GLU A 44 3.738 9.825 -6.180 1.00 0.00 O ATOM 712 OE2 GLU A 44 2.447 10.404 -7.862 1.00 0.00 O ATOM 0 H GLU A 44 1.593 5.147 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 44 0.576 6.633 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.266 6.706 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.918 7.543 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.910 8.568 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.923 8.121 -5.675 1.00 0.00 H new ATOM 719 N ASP A 45 2.733 4.145 -8.199 1.00 0.00 N ATOM 720 CA ASP A 45 3.349 3.070 -8.969 1.00 0.00 C ATOM 721 C ASP A 45 3.717 1.897 -8.066 1.00 0.00 C ATOM 722 O ASP A 45 4.393 2.069 -7.051 1.00 0.00 O ATOM 723 CB ASP A 45 4.594 3.582 -9.694 1.00 0.00 C ATOM 724 CG ASP A 45 4.858 2.836 -10.988 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.880 2.485 -11.680 1.00 0.00 O ATOM 726 OD2 ASP A 45 6.043 2.604 -11.308 1.00 0.00 O ATOM 0 H ASP A 45 2.928 4.112 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 45 2.625 2.724 -9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.475 4.644 -9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.459 3.484 -9.038 1.00 0.00 H new ATOM 731 N LEU A 46 3.268 0.704 -8.441 1.00 0.00 N ATOM 732 CA LEU A 46 3.550 -0.498 -7.664 1.00 0.00 C ATOM 733 C LEU A 46 3.775 -1.697 -8.580 1.00 0.00 C ATOM 734 O LEU A 46 3.366 -1.691 -9.741 1.00 0.00 O ATOM 735 CB LEU A 46 2.398 -0.788 -6.700 1.00 0.00 C ATOM 736 CG LEU A 46 1.159 -1.443 -7.312 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.383 -2.935 -7.502 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.063 -1.191 -6.441 1.00 0.00 C ATOM 0 H LEU A 46 2.707 0.543 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 46 4.461 -0.325 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.770 -1.434 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.096 0.150 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 46 0.981 -0.996 -8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.491 -3.384 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.232 -3.094 -8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.587 -3.398 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.935 -1.664 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.105 -1.610 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.235 -0.118 -6.357 1.00 0.00 H new ATOM 750 N TYR A 47 4.428 -2.726 -8.049 1.00 0.00 N ATOM 751 CA TYR A 47 4.708 -3.932 -8.818 1.00 0.00 C ATOM 752 C TYR A 47 5.233 -5.044 -7.915 1.00 0.00 C ATOM 753 O TYR A 47 5.971 -4.789 -6.963 1.00 0.00 O ATOM 754 CB TYR A 47 5.724 -3.634 -9.922 1.00 0.00 C ATOM 755 CG TYR A 47 6.741 -2.582 -9.541 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.652 -2.808 -8.517 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.791 -1.363 -10.206 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.583 -1.849 -8.165 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.719 -0.399 -9.862 1.00 0.00 C ATOM 760 CZ TYR A 47 8.613 -0.647 -8.841 1.00 0.00 C ATOM 761 OH TYR A 47 9.539 0.310 -8.494 1.00 0.00 O ATOM 0 H TYR A 47 4.773 -2.748 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 47 3.776 -4.267 -9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.246 -4.555 -10.182 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.192 -3.306 -10.815 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.632 -3.749 -7.987 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.092 -1.166 -11.006 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.283 -2.040 -7.365 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.744 0.543 -10.389 1.00 0.00 H new ATOM 0 HH TYR A 47 9.219 0.806 -7.712 1.00 0.00 H new ATOM 771 N ARG A 48 4.848 -6.278 -8.223 1.00 0.00 N ATOM 772 CA ARG A 48 5.278 -7.430 -7.440 1.00 0.00 C ATOM 773 C ARG A 48 6.708 -7.827 -7.797 1.00 0.00 C ATOM 774 O ARG A 48 6.960 -8.384 -8.866 1.00 0.00 O ATOM 775 CB ARG A 48 4.337 -8.613 -7.673 1.00 0.00 C ATOM 776 CG ARG A 48 4.518 -9.279 -9.027 1.00 0.00 C ATOM 777 CD ARG A 48 3.290 -10.085 -9.421 1.00 0.00 C ATOM 778 NE ARG A 48 3.363 -11.462 -8.940 1.00 0.00 N ATOM 779 CZ ARG A 48 3.008 -11.833 -7.715 1.00 0.00 C ATOM 780 NH1 ARG A 48 2.558 -10.934 -6.851 1.00 0.00 N ATOM 781 NH2 ARG A 48 3.103 -13.106 -7.352 1.00 0.00 N ATOM 0 H ARG A 48 4.239 -6.506 -9.009 1.00 0.00 H new ATOM 0 HA ARG A 48 5.248 -7.152 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.497 -9.353 -6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.306 -8.270 -7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.714 -8.519 -9.784 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.390 -9.933 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.397 -9.607 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.189 -10.085 -10.506 1.00 0.00 H new ATOM 0 HE ARG A 48 3.706 -12.178 -9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.484 -9.955 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.286 -11.222 -5.911 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.449 -13.801 -8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.830 -13.390 -6.411 1.00 0.00 H new ATOM 795 N VAL A 49 7.640 -7.535 -6.896 1.00 0.00 N ATOM 796 CA VAL A 49 9.045 -7.861 -7.115 1.00 0.00 C ATOM 797 C VAL A 49 9.375 -9.251 -6.584 1.00 0.00 C ATOM 798 O VAL A 49 9.509 -9.451 -5.378 1.00 0.00 O ATOM 799 CB VAL A 49 9.972 -6.832 -6.441 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.418 -7.301 -6.495 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.820 -5.468 -7.098 1.00 0.00 C ATOM 0 H VAL A 49 7.448 -7.073 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 49 9.212 -7.837 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 49 9.684 -6.739 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.059 -6.562 -6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.511 -8.255 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.722 -7.423 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.482 -4.753 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.081 -5.542 -8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.788 -5.131 -7.002 1.00 0.00 H new ATOM 811 N GLY A 50 9.506 -10.211 -7.495 1.00 0.00 N ATOM 812 CA GLY A 50 9.821 -11.571 -7.099 1.00 0.00 C ATOM 813 C GLY A 50 8.710 -12.211 -6.290 1.00 0.00 C ATOM 814 O GLY A 50 7.713 -12.669 -6.847 1.00 0.00 O ATOM 0 H GLY A 50 9.400 -10.071 -8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.010 -12.171 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.740 -11.572 -6.513 1.00 0.00 H new ATOM 818 N GLU A 51 8.883 -12.245 -4.972 1.00 0.00 N ATOM 819 CA GLU A 51 7.888 -12.836 -4.086 1.00 0.00 C ATOM 820 C GLU A 51 7.330 -11.794 -3.122 1.00 0.00 C ATOM 821 O GLU A 51 6.849 -12.129 -2.040 1.00 0.00 O ATOM 822 CB GLU A 51 8.498 -13.999 -3.301 1.00 0.00 C ATOM 823 CG GLU A 51 8.742 -15.240 -4.142 1.00 0.00 C ATOM 824 CD GLU A 51 8.709 -16.516 -3.323 1.00 0.00 C ATOM 825 OE1 GLU A 51 7.612 -17.092 -3.167 1.00 0.00 O ATOM 826 OE2 GLU A 51 9.780 -16.938 -2.838 1.00 0.00 O ATOM 0 H GLU A 51 9.703 -11.870 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 51 7.070 -13.212 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.443 -13.675 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.835 -14.255 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.987 -15.297 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.710 -15.155 -4.636 1.00 0.00 H new ATOM 833 N GLU A 52 7.399 -10.528 -3.523 1.00 0.00 N ATOM 834 CA GLU A 52 6.902 -9.436 -2.693 1.00 0.00 C ATOM 835 C GLU A 52 6.333 -8.313 -3.556 1.00 0.00 C ATOM 836 O GLU A 52 6.381 -8.374 -4.785 1.00 0.00 O ATOM 837 CB GLU A 52 8.022 -8.893 -1.803 1.00 0.00 C ATOM 838 CG GLU A 52 8.622 -9.936 -0.875 1.00 0.00 C ATOM 839 CD GLU A 52 9.371 -9.319 0.290 1.00 0.00 C ATOM 840 OE1 GLU A 52 8.745 -8.567 1.067 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.583 -9.588 0.425 1.00 0.00 O ATOM 0 H GLU A 52 7.794 -10.233 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 52 6.103 -9.826 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.811 -8.484 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.633 -8.069 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.827 -10.577 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.301 -10.574 -1.442 1.00 0.00 H new ATOM 848 N LEU A 53 5.794 -7.290 -2.903 1.00 0.00 N ATOM 849 CA LEU A 53 5.215 -6.152 -3.608 1.00 0.00 C ATOM 850 C LEU A 53 5.743 -4.836 -3.046 1.00 0.00 C ATOM 851 O LEU A 53 5.916 -4.691 -1.836 1.00 0.00 O ATOM 852 CB LEU A 53 3.689 -6.187 -3.507 1.00 0.00 C ATOM 853 CG LEU A 53 2.957 -6.901 -4.644 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.675 -7.542 -4.134 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.656 -5.931 -5.777 1.00 0.00 C ATOM 0 H LEU A 53 5.746 -7.225 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 53 5.506 -6.220 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.418 -6.669 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.325 -5.161 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 53 3.605 -7.689 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.168 -8.045 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.915 -8.268 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.022 -6.772 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.135 -6.457 -6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.028 -5.121 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.589 -5.519 -6.161 1.00 0.00 H new ATOM 867 N VAL A 54 5.995 -3.878 -3.933 1.00 0.00 N ATOM 868 CA VAL A 54 6.500 -2.573 -3.525 1.00 0.00 C ATOM 869 C VAL A 54 5.603 -1.452 -4.038 1.00 0.00 C ATOM 870 O VAL A 54 5.644 -1.098 -5.217 1.00 0.00 O ATOM 871 CB VAL A 54 7.935 -2.341 -4.036 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.428 -0.960 -3.635 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.867 -3.423 -3.512 1.00 0.00 C ATOM 0 H VAL A 54 5.858 -3.982 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 54 6.504 -2.562 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 54 7.928 -2.395 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.443 -0.814 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.773 -0.201 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.422 -0.873 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.876 -3.244 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.871 -3.403 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.522 -4.398 -3.856 1.00 0.00 H new ATOM 883 N VAL A 55 4.791 -0.895 -3.144 1.00 0.00 N ATOM 884 CA VAL A 55 3.884 0.188 -3.506 1.00 0.00 C ATOM 885 C VAL A 55 4.513 1.548 -3.227 1.00 0.00 C ATOM 886 O VAL A 55 5.147 1.751 -2.190 1.00 0.00 O ATOM 887 CB VAL A 55 2.552 0.084 -2.738 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.715 1.335 -2.951 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.787 -1.159 -3.167 1.00 0.00 C ATOM 0 H VAL A 55 4.743 -1.176 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 55 3.688 0.094 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 55 2.771 -0.001 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.778 1.244 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.264 2.205 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.502 1.454 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.849 -1.217 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.577 -1.106 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.386 -2.045 -2.958 1.00 0.00 H new ATOM 899 N HIS A 56 4.335 2.479 -4.159 1.00 0.00 N ATOM 900 CA HIS A 56 4.885 3.822 -4.014 1.00 0.00 C ATOM 901 C HIS A 56 3.783 4.829 -3.699 1.00 0.00 C ATOM 902 O HIS A 56 3.044 5.255 -4.588 1.00 0.00 O ATOM 903 CB HIS A 56 5.621 4.235 -5.288 1.00 0.00 C ATOM 904 CG HIS A 56 6.888 3.473 -5.522 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.138 4.052 -5.458 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.095 2.169 -5.821 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.058 3.138 -5.708 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.452 1.986 -5.931 1.00 0.00 N ATOM 0 H HIS A 56 3.814 2.328 -5.023 1.00 0.00 H new ATOM 0 HA HIS A 56 5.591 3.811 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.959 4.094 -6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.851 5.299 -5.236 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.323 5.033 -5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.334 1.413 -5.949 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.125 3.304 -5.727 1.00 0.00 H new ATOM 916 N LEU A 57 3.677 5.205 -2.429 1.00 0.00 N ATOM 917 CA LEU A 57 2.664 6.161 -1.996 1.00 0.00 C ATOM 918 C LEU A 57 2.977 7.560 -2.520 1.00 0.00 C ATOM 919 O LEU A 57 4.140 7.930 -2.671 1.00 0.00 O ATOM 920 CB LEU A 57 2.575 6.184 -0.469 1.00 0.00 C ATOM 921 CG LEU A 57 2.365 4.831 0.211 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.400 4.983 1.724 1.00 0.00 C ATOM 923 CD2 LEU A 57 1.050 4.208 -0.235 1.00 0.00 C ATOM 0 H LEU A 57 4.280 4.862 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 57 1.704 5.846 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.491 6.626 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.756 6.843 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 57 3.177 4.167 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.249 4.010 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.367 5.385 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.609 5.664 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.917 3.246 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.225 4.869 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.064 4.062 -1.315 1.00 0.00 H new ATOM 935 N ALA A 58 1.930 8.332 -2.792 1.00 0.00 N ATOM 936 CA ALA A 58 2.093 9.690 -3.294 1.00 0.00 C ATOM 937 C ALA A 58 2.764 10.583 -2.255 1.00 0.00 C ATOM 938 O ALA A 58 2.375 10.593 -1.088 1.00 0.00 O ATOM 939 CB ALA A 58 0.745 10.269 -3.698 1.00 0.00 C ATOM 0 H ALA A 58 0.960 8.040 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 58 2.738 9.651 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.882 11.284 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.303 9.651 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.083 10.287 -2.833 1.00 0.00 H new ATOM 945 N GLY A 59 3.775 11.330 -2.688 1.00 0.00 N ATOM 946 CA GLY A 59 4.484 12.215 -1.782 1.00 0.00 C ATOM 947 C GLY A 59 5.790 11.619 -1.293 1.00 0.00 C ATOM 948 O GLY A 59 6.830 12.276 -1.323 1.00 0.00 O ATOM 0 H GLY A 59 4.116 11.338 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.686 13.160 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.848 12.440 -0.926 1.00 0.00 H new ATOM 952 N VAL A 60 5.735 10.370 -0.840 1.00 0.00 N ATOM 953 CA VAL A 60 6.922 9.685 -0.342 1.00 0.00 C ATOM 954 C VAL A 60 7.973 9.539 -1.437 1.00 0.00 C ATOM 955 O VAL A 60 7.896 8.636 -2.271 1.00 0.00 O ATOM 956 CB VAL A 60 6.575 8.290 0.210 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.832 7.571 0.675 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.565 8.402 1.342 1.00 0.00 C ATOM 0 H VAL A 60 4.881 9.812 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 60 7.325 10.297 0.465 1.00 0.00 H new ATOM 0 HB VAL A 60 6.126 7.703 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.566 6.587 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.518 7.458 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.314 8.152 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.331 7.407 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.985 9.007 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.654 8.873 0.972 1.00 0.00 H new ATOM 968 N THR A 61 8.956 10.435 -1.430 1.00 0.00 N ATOM 969 CA THR A 61 10.022 10.407 -2.423 1.00 0.00 C ATOM 970 C THR A 61 11.393 10.384 -1.757 1.00 0.00 C ATOM 971 O THR A 61 12.374 10.874 -2.316 1.00 0.00 O ATOM 972 CB THR A 61 9.943 11.621 -3.367 1.00 0.00 C ATOM 973 OG1 THR A 61 10.055 12.834 -2.615 1.00 0.00 O ATOM 974 CG2 THR A 61 8.635 11.619 -4.144 1.00 0.00 C ATOM 0 H THR A 61 9.035 11.189 -0.747 1.00 0.00 H new ATOM 0 HA THR A 61 9.888 9.495 -3.005 1.00 0.00 H new ATOM 0 HB THR A 61 10.768 11.556 -4.076 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.006 13.601 -3.223 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.602 12.486 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.566 10.708 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.798 11.662 -3.447 1.00 0.00 H new ATOM 982 N ASP A 62 11.454 9.810 -0.560 1.00 0.00 N ATOM 983 CA ASP A 62 12.707 9.722 0.182 1.00 0.00 C ATOM 984 C ASP A 62 12.626 8.643 1.257 1.00 0.00 C ATOM 985 O ASP A 62 11.556 8.378 1.806 1.00 0.00 O ATOM 986 CB ASP A 62 13.043 11.071 0.820 1.00 0.00 C ATOM 987 CG ASP A 62 11.820 11.763 1.389 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.507 11.535 2.576 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.176 12.533 0.646 1.00 0.00 O ATOM 0 H ASP A 62 10.651 9.399 -0.083 1.00 0.00 H new ATOM 0 HA ASP A 62 13.498 9.454 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.775 10.922 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.508 11.716 0.075 1.00 0.00 H new ATOM 994 N ARG A 63 13.763 8.022 1.552 1.00 0.00 N ATOM 995 CA ARG A 63 13.821 6.970 2.560 1.00 0.00 C ATOM 996 C ARG A 63 13.208 7.443 3.875 1.00 0.00 C ATOM 997 O ARG A 63 12.554 6.673 4.580 1.00 0.00 O ATOM 998 CB ARG A 63 15.268 6.532 2.788 1.00 0.00 C ATOM 999 CG ARG A 63 15.398 5.119 3.335 1.00 0.00 C ATOM 1000 CD ARG A 63 16.827 4.813 3.755 1.00 0.00 C ATOM 1001 NE ARG A 63 16.894 3.702 4.700 1.00 0.00 N ATOM 1002 CZ ARG A 63 16.787 2.427 4.344 1.00 0.00 C ATOM 1003 NH1 ARG A 63 16.610 2.103 3.070 1.00 0.00 N ATOM 1004 NH2 ARG A 63 16.859 1.472 5.262 1.00 0.00 N ATOM 0 H ARG A 63 14.657 8.229 1.107 1.00 0.00 H new ATOM 0 HA ARG A 63 13.245 6.120 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.812 6.599 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.744 7.226 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.732 4.996 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.079 4.404 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.421 4.575 2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.270 5.701 4.207 1.00 0.00 H new ATOM 0 HE ARG A 63 17.030 3.917 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.556 2.834 2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.528 1.123 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.997 1.717 6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.777 0.493 4.987 1.00 0.00 H new ATOM 1018 N THR A 64 13.424 8.714 4.200 1.00 0.00 N ATOM 1019 CA THR A 64 12.894 9.289 5.430 1.00 0.00 C ATOM 1020 C THR A 64 11.376 9.167 5.485 1.00 0.00 C ATOM 1021 O THR A 64 10.826 8.532 6.385 1.00 0.00 O ATOM 1022 CB THR A 64 13.285 10.772 5.570 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.710 10.907 5.557 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.727 11.359 6.857 1.00 0.00 C ATOM 0 H THR A 64 13.962 9.365 3.628 1.00 0.00 H new ATOM 0 HA THR A 64 13.330 8.727 6.256 1.00 0.00 H new ATOM 0 HB THR A 64 12.862 11.317 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.950 11.853 5.645 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.016 12.407 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.640 11.282 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.125 10.809 7.710 1.00 0.00 H new ATOM 1032 N LEU A 65 10.703 9.779 4.517 1.00 0.00 N ATOM 1033 CA LEU A 65 9.246 9.738 4.454 1.00 0.00 C ATOM 1034 C LEU A 65 8.739 8.300 4.484 1.00 0.00 C ATOM 1035 O LEU A 65 7.818 7.971 5.231 1.00 0.00 O ATOM 1036 CB LEU A 65 8.750 10.440 3.189 1.00 0.00 C ATOM 1037 CG LEU A 65 8.718 11.968 3.237 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.402 12.539 1.863 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.703 12.448 4.263 1.00 0.00 C ATOM 0 H LEU A 65 11.143 10.310 3.765 1.00 0.00 H new ATOM 0 HA LEU A 65 8.855 10.259 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.385 10.136 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.744 10.082 2.970 1.00 0.00 H new ATOM 0 HG LEU A 65 9.704 12.324 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.383 13.628 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.167 12.224 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.429 12.175 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.694 13.538 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.712 12.082 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.974 12.069 5.248 1.00 0.00 H new ATOM 1051 N ALA A 66 9.349 7.447 3.667 1.00 0.00 N ATOM 1052 CA ALA A 66 8.962 6.043 3.602 1.00 0.00 C ATOM 1053 C ALA A 66 9.083 5.377 4.969 1.00 0.00 C ATOM 1054 O ALA A 66 8.119 4.806 5.478 1.00 0.00 O ATOM 1055 CB ALA A 66 9.814 5.308 2.578 1.00 0.00 C ATOM 0 H ALA A 66 10.113 7.704 3.041 1.00 0.00 H new ATOM 0 HA ALA A 66 7.918 5.993 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.514 4.261 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.675 5.761 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.864 5.375 2.863 1.00 0.00 H new ATOM 1061 N GLU A 67 10.273 5.454 5.557 1.00 0.00 N ATOM 1062 CA GLU A 67 10.518 4.857 6.864 1.00 0.00 C ATOM 1063 C GLU A 67 9.419 5.237 7.851 1.00 0.00 C ATOM 1064 O GLU A 67 9.002 4.424 8.676 1.00 0.00 O ATOM 1065 CB GLU A 67 11.880 5.300 7.405 1.00 0.00 C ATOM 1066 CG GLU A 67 13.026 4.396 6.982 1.00 0.00 C ATOM 1067 CD GLU A 67 14.197 4.450 7.944 1.00 0.00 C ATOM 1068 OE1 GLU A 67 13.957 4.527 9.167 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.353 4.415 7.472 1.00 0.00 O ATOM 0 H GLU A 67 11.081 5.924 5.149 1.00 0.00 H new ATOM 0 HA GLU A 67 10.517 3.773 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.084 6.315 7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.836 5.332 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.667 3.369 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.364 4.686 5.987 1.00 0.00 H new ATOM 1076 N ALA A 68 8.954 6.479 7.761 1.00 0.00 N ATOM 1077 CA ALA A 68 7.902 6.968 8.644 1.00 0.00 C ATOM 1078 C ALA A 68 6.625 6.151 8.481 1.00 0.00 C ATOM 1079 O ALA A 68 5.853 5.991 9.427 1.00 0.00 O ATOM 1080 CB ALA A 68 7.628 8.440 8.374 1.00 0.00 C ATOM 0 H ALA A 68 9.290 7.165 7.085 1.00 0.00 H new ATOM 0 HA ALA A 68 8.244 6.857 9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.840 8.792 9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.536 9.017 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.311 8.567 7.339 1.00 0.00 H new ATOM 1086 N LEU A 69 6.407 5.637 7.275 1.00 0.00 N ATOM 1087 CA LEU A 69 5.222 4.837 6.988 1.00 0.00 C ATOM 1088 C LEU A 69 5.564 3.351 6.951 1.00 0.00 C ATOM 1089 O LEU A 69 4.856 2.555 6.334 1.00 0.00 O ATOM 1090 CB LEU A 69 4.605 5.263 5.654 1.00 0.00 C ATOM 1091 CG LEU A 69 4.147 6.719 5.562 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.620 7.025 4.168 1.00 0.00 C ATOM 1093 CD2 LEU A 69 3.085 7.011 6.611 1.00 0.00 C ATOM 0 H LEU A 69 7.035 5.760 6.481 1.00 0.00 H new ATOM 0 HA LEU A 69 4.499 5.005 7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.334 5.082 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.749 4.620 5.451 1.00 0.00 H new ATOM 0 HG LEU A 69 5.005 7.363 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.299 8.065 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.409 6.855 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.774 6.374 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.771 8.052 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.226 6.359 6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.496 6.832 7.605 1.00 0.00 H new ATOM 1105 N VAL A 70 6.653 2.983 7.618 1.00 0.00 N ATOM 1106 CA VAL A 70 7.088 1.592 7.665 1.00 0.00 C ATOM 1107 C VAL A 70 6.627 0.915 8.951 1.00 0.00 C ATOM 1108 O VAL A 70 6.737 1.482 10.037 1.00 0.00 O ATOM 1109 CB VAL A 70 8.620 1.479 7.559 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.089 0.112 8.035 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.076 1.741 6.132 1.00 0.00 C ATOM 0 H VAL A 70 7.251 3.629 8.134 1.00 0.00 H new ATOM 0 HA VAL A 70 6.634 1.090 6.811 1.00 0.00 H new ATOM 0 HB VAL A 70 9.068 2.235 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.174 0.051 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.795 -0.032 9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.634 -0.664 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.161 1.657 6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.620 1.010 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.774 2.744 5.832 1.00 0.00 H new ATOM 1121 N GLY A 71 6.109 -0.303 8.820 1.00 0.00 N ATOM 1122 CA GLY A 71 5.640 -1.038 9.980 1.00 0.00 C ATOM 1123 C GLY A 71 4.129 -1.019 10.106 1.00 0.00 C ATOM 1124 O GLY A 71 3.527 -1.973 10.600 1.00 0.00 O ATOM 0 H GLY A 71 6.006 -0.793 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.983 -2.071 9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.082 -0.611 10.880 1.00 0.00 H new ATOM 1128 N LEU A 72 3.514 0.071 9.659 1.00 0.00 N ATOM 1129 CA LEU A 72 2.064 0.212 9.726 1.00 0.00 C ATOM 1130 C LEU A 72 1.382 -0.683 8.696 1.00 0.00 C ATOM 1131 O LEU A 72 2.022 -1.178 7.768 1.00 0.00 O ATOM 1132 CB LEU A 72 1.662 1.670 9.496 1.00 0.00 C ATOM 1133 CG LEU A 72 2.140 2.672 10.548 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.817 4.094 10.117 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.512 2.366 11.900 1.00 0.00 C ATOM 0 H LEU A 72 3.997 0.869 9.247 1.00 0.00 H new ATOM 0 HA LEU A 72 1.740 -0.096 10.720 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.045 1.983 8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.575 1.722 9.441 1.00 0.00 H new ATOM 0 HG LEU A 72 3.222 2.581 10.644 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.165 4.793 10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.315 4.310 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.739 4.200 9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.863 3.089 12.636 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.427 2.428 11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.795 1.361 12.214 1.00 0.00 H new ATOM 1147 N ARG A 73 0.079 -0.885 8.866 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.690 -1.720 7.951 1.00 0.00 C ATOM 1149 C ARG A 73 -1.516 -0.862 6.996 1.00 0.00 C ATOM 1150 O ARG A 73 -1.820 0.294 7.289 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.608 -2.660 8.734 1.00 0.00 C ATOM 1152 CG ARG A 73 -0.861 -3.717 9.531 1.00 0.00 C ATOM 1153 CD ARG A 73 -0.439 -3.191 10.894 1.00 0.00 C ATOM 1154 NE ARG A 73 0.333 -4.178 11.645 1.00 0.00 N ATOM 1155 CZ ARG A 73 -0.193 -5.281 12.165 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -1.485 -5.538 12.015 1.00 0.00 N ATOM 1157 NH2 ARG A 73 0.574 -6.131 12.836 1.00 0.00 N ATOM 0 H ARG A 73 -0.466 -0.482 9.628 1.00 0.00 H new ATOM 0 HA ARG A 73 0.011 -2.314 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.222 -2.071 9.415 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.287 -3.154 8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.495 -4.594 9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.020 -4.039 8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.156 -2.287 10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.324 -2.912 11.465 1.00 0.00 H new ATOM 0 HE ARG A 73 1.330 -4.011 11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.078 -4.888 11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.886 -6.386 12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.569 -5.937 12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.169 -6.978 13.235 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.877 -1.438 5.854 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.669 -0.727 4.857 1.00 0.00 C ATOM 1173 C VAL A 74 -4.105 -1.238 4.829 1.00 0.00 C ATOM 1174 O VAL A 74 -4.351 -2.437 4.955 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.058 -0.869 3.450 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.793 0.018 2.456 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.574 -0.536 3.478 1.00 0.00 C ATOM 0 H VAL A 74 -1.634 -2.394 5.596 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.666 0.325 5.142 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.169 -1.904 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.347 -0.096 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.843 -0.272 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.716 1.059 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.158 -0.642 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.438 0.490 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.061 -1.217 4.157 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.050 -0.319 4.662 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.463 -0.676 4.619 1.00 0.00 C ATOM 1189 C TYR A 75 -7.067 -0.347 3.258 1.00 0.00 C ATOM 1190 O TYR A 75 -6.576 0.526 2.543 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.229 0.058 5.721 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.074 -0.570 7.088 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.919 -0.378 7.835 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.084 -1.355 7.632 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.772 -0.951 9.084 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.947 -1.930 8.881 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.789 -1.725 9.603 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.648 -2.296 10.847 1.00 0.00 O ATOM 0 H TYR A 75 -4.863 0.678 4.554 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.546 -1.751 4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.885 1.091 5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.287 0.085 5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.122 0.230 7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.991 -1.518 7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.866 -0.794 9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.742 -2.536 9.290 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.454 -2.809 11.065 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.138 -1.051 2.907 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.813 -0.833 1.633 1.00 0.00 C ATOM 1210 C ALA A 76 -10.281 -0.479 1.843 1.00 0.00 C ATOM 1211 O ALA A 76 -10.853 -0.764 2.895 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.686 -2.065 0.751 1.00 0.00 C ATOM 0 H ALA A 76 -8.557 -1.778 3.487 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.332 0.008 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.195 -1.888 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.632 -2.272 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.140 -2.920 1.252 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.885 0.144 0.836 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.287 0.537 0.913 1.00 0.00 C ATOM 1220 C GLU A 77 -13.088 -0.079 -0.231 1.00 0.00 C ATOM 1221 O GLU A 77 -12.929 0.301 -1.391 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.415 2.062 0.876 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.652 2.586 1.586 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.967 4.024 1.222 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.929 4.354 0.019 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.253 4.819 2.142 1.00 0.00 O ATOM 0 H GLU A 77 -10.426 0.387 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.690 0.168 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.530 2.504 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.436 2.391 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.505 1.956 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.507 2.511 2.664 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.951 -1.033 0.106 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.777 -1.702 -0.891 1.00 0.00 C ATOM 1235 C VAL A 78 -15.380 -0.699 -1.869 1.00 0.00 C ATOM 1236 O VAL A 78 -15.548 -0.994 -3.052 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.914 -2.505 -0.231 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.733 -3.237 -1.283 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.352 -3.481 0.792 1.00 0.00 C ATOM 0 H VAL A 78 -14.096 -1.359 1.062 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.125 -2.387 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.573 -1.808 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.531 -3.798 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.167 -2.514 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.089 -3.924 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.169 -4.040 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.670 -4.173 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.814 -2.930 1.563 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.703 0.487 -1.365 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.285 1.536 -2.194 1.00 0.00 C ATOM 1251 C ALA A 79 -15.637 1.568 -3.574 1.00 0.00 C ATOM 1252 O ALA A 79 -16.287 1.890 -4.569 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.144 2.888 -1.511 1.00 0.00 C ATOM 0 H ALA A 79 -15.572 0.746 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.345 1.316 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.583 3.662 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.660 2.866 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.088 3.106 -1.351 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.352 1.233 -3.627 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.616 1.223 -4.885 1.00 0.00 C ATOM 1261 C ASP A 80 -13.628 -0.168 -5.512 1.00 0.00 C ATOM 1262 O ASP A 80 -13.752 -0.311 -6.729 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.174 1.682 -4.661 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.554 2.275 -5.911 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.184 3.164 -6.522 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.438 1.851 -6.277 1.00 0.00 O ATOM 0 H ASP A 80 -13.799 0.965 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.107 1.914 -5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.152 2.423 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.574 0.835 -4.328 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.498 -1.190 -4.673 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.493 -2.570 -5.144 1.00 0.00 C ATOM 1273 C LEU A 81 -14.490 -2.760 -6.283 1.00 0.00 C ATOM 1274 O LEU A 81 -15.506 -2.071 -6.374 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.827 -3.523 -3.995 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.725 -3.735 -2.956 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -13.231 -4.595 -1.809 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.500 -4.368 -3.601 1.00 0.00 C ATOM 0 H LEU A 81 -13.395 -1.089 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.494 -2.797 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.713 -3.147 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.091 -4.492 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.438 -2.763 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.433 -4.735 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.077 -4.102 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.546 -5.565 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.726 -4.512 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.772 -5.332 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.124 -3.714 -4.388 1.00 0.00 H new