USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 9:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 61:sc= -0.596! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -116:sc= -0.0969 (180deg=-1.59!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00174 X(o=-0.0017,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.47! K(o=-3.5!,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= -0.489 K(o=-0.49,f=-1.3) USER MOD Single : A 58 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-6.4!) USER MOD Single : A 59 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.44) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.648 11.524 1.227 1.00 0.00 N ATOM 82 CA PRO A 9 -0.665 10.069 1.050 1.00 0.00 C ATOM 83 C PRO A 9 -1.121 9.660 -0.346 1.00 0.00 C ATOM 84 O PRO A 9 -1.873 10.383 -1.000 1.00 0.00 O ATOM 85 CB PRO A 9 -1.672 9.595 2.101 1.00 0.00 C ATOM 86 CG PRO A 9 -2.566 10.766 2.324 1.00 0.00 C ATOM 87 CD PRO A 9 -1.704 11.985 2.143 1.00 0.00 C ATOM 0 HA PRO A 9 0.328 9.634 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.234 8.729 1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.172 9.297 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.394 10.765 1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.001 10.740 3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.268 12.816 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.291 12.329 3.091 1.00 0.00 H new ATOM 95 N ILE A 10 -0.662 8.497 -0.797 1.00 0.00 N ATOM 96 CA ILE A 10 -1.025 7.992 -2.115 1.00 0.00 C ATOM 97 C ILE A 10 -2.017 6.839 -2.008 1.00 0.00 C ATOM 98 O ILE A 10 -1.725 5.810 -1.400 1.00 0.00 O ATOM 99 CB ILE A 10 0.215 7.517 -2.896 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.217 8.662 -3.051 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.193 6.976 -4.258 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.545 8.229 -3.632 1.00 0.00 C ATOM 0 H ILE A 10 -0.038 7.887 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.489 8.818 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 10 0.694 6.714 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.783 9.430 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.388 9.119 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.694 6.644 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.874 6.135 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.692 7.761 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.205 9.092 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.001 7.483 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.387 7.799 -4.621 1.00 0.00 H new ATOM 114 N GLU A 11 -3.191 7.019 -2.606 1.00 0.00 N ATOM 115 CA GLU A 11 -4.226 5.992 -2.578 1.00 0.00 C ATOM 116 C GLU A 11 -3.924 4.888 -3.587 1.00 0.00 C ATOM 117 O GLU A 11 -3.887 5.127 -4.793 1.00 0.00 O ATOM 118 CB GLU A 11 -5.595 6.609 -2.875 1.00 0.00 C ATOM 119 CG GLU A 11 -6.263 7.223 -1.657 1.00 0.00 C ATOM 120 CD GLU A 11 -7.232 8.332 -2.019 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.092 8.104 -2.897 1.00 0.00 O ATOM 122 OE2 GLU A 11 -7.131 9.426 -1.427 1.00 0.00 O ATOM 0 H GLU A 11 -3.449 7.865 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.241 5.554 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.480 7.376 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.248 5.841 -3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.795 6.446 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.498 7.618 -0.988 1.00 0.00 H new ATOM 129 N ALA A 12 -3.708 3.677 -3.083 1.00 0.00 N ATOM 130 CA ALA A 12 -3.411 2.535 -3.938 1.00 0.00 C ATOM 131 C ALA A 12 -4.542 1.514 -3.904 1.00 0.00 C ATOM 132 O ALA A 12 -5.485 1.644 -3.122 1.00 0.00 O ATOM 133 CB ALA A 12 -2.100 1.888 -3.518 1.00 0.00 C ATOM 0 H ALA A 12 -3.733 3.462 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.314 2.895 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.891 1.036 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.292 2.615 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.176 1.548 -2.485 1.00 0.00 H new ATOM 139 N ILE A 13 -4.443 0.498 -4.755 1.00 0.00 N ATOM 140 CA ILE A 13 -5.458 -0.545 -4.820 1.00 0.00 C ATOM 141 C ILE A 13 -4.824 -1.932 -4.803 1.00 0.00 C ATOM 142 O ILE A 13 -3.873 -2.200 -5.537 1.00 0.00 O ATOM 143 CB ILE A 13 -6.327 -0.406 -6.084 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.017 0.959 -6.108 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.355 -1.527 -6.146 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.003 1.158 -4.977 1.00 0.00 C ATOM 0 H ILE A 13 -3.670 0.376 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.089 -0.426 -3.939 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.683 -0.481 -6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.259 1.741 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.538 1.077 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.962 -1.415 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.843 -2.489 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.997 -1.481 -5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.454 2.147 -5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.782 0.398 -5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.484 1.072 -4.022 1.00 0.00 H new ATOM 158 N ALA A 14 -5.358 -2.810 -3.960 1.00 0.00 N ATOM 159 CA ALA A 14 -4.846 -4.171 -3.850 1.00 0.00 C ATOM 160 C ALA A 14 -4.970 -4.913 -5.176 1.00 0.00 C ATOM 161 O ALA A 14 -6.067 -5.069 -5.713 1.00 0.00 O ATOM 162 CB ALA A 14 -5.582 -4.924 -2.751 1.00 0.00 C ATOM 0 H ALA A 14 -6.144 -2.604 -3.344 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.788 -4.115 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.190 -5.939 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.438 -4.412 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.646 -4.962 -2.985 1.00 0.00 H new ATOM 168 N LYS A 15 -3.837 -5.368 -5.702 1.00 0.00 N ATOM 169 CA LYS A 15 -3.818 -6.095 -6.966 1.00 0.00 C ATOM 170 C LYS A 15 -4.290 -7.532 -6.774 1.00 0.00 C ATOM 171 O LYS A 15 -4.986 -8.086 -7.626 1.00 0.00 O ATOM 172 CB LYS A 15 -2.408 -6.085 -7.561 1.00 0.00 C ATOM 173 CG LYS A 15 -2.158 -4.929 -8.514 1.00 0.00 C ATOM 174 CD LYS A 15 -1.125 -5.289 -9.569 1.00 0.00 C ATOM 175 CE LYS A 15 -1.705 -6.222 -10.621 1.00 0.00 C ATOM 176 NZ LYS A 15 -2.489 -5.481 -11.648 1.00 0.00 N ATOM 0 H LYS A 15 -2.920 -5.246 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.500 -5.596 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.681 -6.040 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.239 -7.023 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.093 -4.648 -9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.817 -4.060 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.761 -4.380 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.267 -5.764 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.897 -6.769 -11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.345 -6.960 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.867 -6.152 -12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.276 -4.979 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.872 -4.794 -12.127 1.00 0.00 H new ATOM 190 N PHE A 16 -3.910 -8.131 -5.651 1.00 0.00 N ATOM 191 CA PHE A 16 -4.295 -9.504 -5.347 1.00 0.00 C ATOM 192 C PHE A 16 -4.379 -9.725 -3.840 1.00 0.00 C ATOM 193 O PHE A 16 -3.487 -9.325 -3.092 1.00 0.00 O ATOM 194 CB PHE A 16 -3.295 -10.485 -5.963 1.00 0.00 C ATOM 195 CG PHE A 16 -2.735 -10.023 -7.278 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.450 -10.199 -8.451 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.493 -9.412 -7.340 1.00 0.00 C ATOM 198 CE1 PHE A 16 -2.936 -9.776 -9.662 1.00 0.00 C ATOM 199 CE2 PHE A 16 -0.974 -8.987 -8.549 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.697 -9.168 -9.711 1.00 0.00 C ATOM 0 H PHE A 16 -3.335 -7.687 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.280 -9.682 -5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.475 -10.643 -5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.784 -11.449 -6.104 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.420 -10.672 -8.419 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.924 -9.266 -6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.503 -9.921 -10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.004 -8.514 -8.584 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.295 -8.835 -10.656 1.00 0.00 H new ATOM 210 N ASP A 17 -5.458 -10.364 -3.401 1.00 0.00 N ATOM 211 CA ASP A 17 -5.659 -10.640 -1.983 1.00 0.00 C ATOM 212 C ASP A 17 -4.355 -11.078 -1.324 1.00 0.00 C ATOM 213 O ASP A 17 -3.877 -12.190 -1.549 1.00 0.00 O ATOM 214 CB ASP A 17 -6.727 -11.720 -1.798 1.00 0.00 C ATOM 215 CG ASP A 17 -6.491 -12.925 -2.688 1.00 0.00 C ATOM 216 OD1 ASP A 17 -6.411 -12.744 -3.921 1.00 0.00 O ATOM 217 OD2 ASP A 17 -6.389 -14.048 -2.152 1.00 0.00 O ATOM 0 H ASP A 17 -6.207 -10.701 -4.006 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.996 -9.721 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.741 -12.039 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.708 -11.298 -2.015 1.00 0.00 H new ATOM 222 N TYR A 18 -3.785 -10.196 -0.510 1.00 0.00 N ATOM 223 CA TYR A 18 -2.534 -10.490 0.179 1.00 0.00 C ATOM 224 C TYR A 18 -2.754 -10.599 1.685 1.00 0.00 C ATOM 225 O TYR A 18 -3.657 -9.972 2.239 1.00 0.00 O ATOM 226 CB TYR A 18 -1.496 -9.407 -0.119 1.00 0.00 C ATOM 227 CG TYR A 18 -0.110 -9.742 0.382 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.215 -9.608 1.727 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.875 -10.193 -0.488 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.481 -9.913 2.189 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.143 -10.501 -0.034 1.00 0.00 C ATOM 232 CZ TYR A 18 2.441 -10.359 1.305 1.00 0.00 C ATOM 233 OH TYR A 18 3.703 -10.664 1.762 1.00 0.00 O ATOM 0 H TYR A 18 -4.169 -9.272 -0.311 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.164 -11.448 -0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.454 -9.242 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.820 -8.470 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.534 -9.260 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.645 -10.305 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.718 -9.803 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.897 -10.851 -0.724 1.00 0.00 H new ATOM 0 HH TYR A 18 3.709 -10.648 2.742 1.00 0.00 H new ATOM 243 N VAL A 19 -1.921 -11.399 2.342 1.00 0.00 N ATOM 244 CA VAL A 19 -2.022 -11.590 3.784 1.00 0.00 C ATOM 245 C VAL A 19 -0.667 -11.408 4.458 1.00 0.00 C ATOM 246 O VAL A 19 0.261 -12.182 4.230 1.00 0.00 O ATOM 247 CB VAL A 19 -2.570 -12.988 4.128 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.739 -14.069 3.453 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.602 -13.191 5.635 1.00 0.00 C ATOM 0 H VAL A 19 -1.168 -11.926 1.899 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.714 -10.835 4.156 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.591 -13.062 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.141 -15.049 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.773 -13.932 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.706 -14.001 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.992 -14.184 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.593 -13.098 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.244 -12.437 6.090 1.00 0.00 H new ATOM 259 N GLY A 20 -0.561 -10.377 5.292 1.00 0.00 N ATOM 260 CA GLY A 20 0.684 -10.111 5.988 1.00 0.00 C ATOM 261 C GLY A 20 1.271 -11.356 6.623 1.00 0.00 C ATOM 262 O GLY A 20 0.745 -11.861 7.615 1.00 0.00 O ATOM 0 H GLY A 20 -1.315 -9.722 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.405 -9.690 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.512 -9.360 6.759 1.00 0.00 H new ATOM 266 N ARG A 21 2.362 -11.852 6.050 1.00 0.00 N ATOM 267 CA ARG A 21 3.019 -13.048 6.565 1.00 0.00 C ATOM 268 C ARG A 21 3.477 -12.839 8.005 1.00 0.00 C ATOM 269 O ARG A 21 3.435 -13.760 8.822 1.00 0.00 O ATOM 270 CB ARG A 21 4.216 -13.417 5.686 1.00 0.00 C ATOM 271 CG ARG A 21 3.826 -14.058 4.364 1.00 0.00 C ATOM 272 CD ARG A 21 5.027 -14.210 3.444 1.00 0.00 C ATOM 273 NE ARG A 21 4.653 -14.753 2.141 1.00 0.00 N ATOM 274 CZ ARG A 21 4.375 -16.034 1.931 1.00 0.00 C ATOM 275 NH1 ARG A 21 4.429 -16.901 2.934 1.00 0.00 N ATOM 276 NH2 ARG A 21 4.042 -16.452 0.716 1.00 0.00 N ATOM 0 H ARG A 21 2.810 -11.445 5.229 1.00 0.00 H new ATOM 0 HA ARG A 21 2.298 -13.865 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.800 -12.519 5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.862 -14.102 6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.382 -15.036 4.549 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.065 -13.450 3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.505 -13.240 3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.762 -14.865 3.912 1.00 0.00 H new ATOM 0 HE ARG A 21 4.603 -14.113 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.685 -16.584 3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.215 -17.885 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.999 -15.789 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.829 -17.437 0.556 1.00 0.00 H new ATOM 290 N THR A 22 3.915 -11.622 8.311 1.00 0.00 N ATOM 291 CA THR A 22 4.383 -11.292 9.651 1.00 0.00 C ATOM 292 C THR A 22 3.643 -10.081 10.209 1.00 0.00 C ATOM 293 O THR A 22 2.794 -9.496 9.537 1.00 0.00 O ATOM 294 CB THR A 22 5.896 -11.006 9.664 1.00 0.00 C ATOM 295 OG1 THR A 22 6.195 -9.910 8.793 1.00 0.00 O ATOM 296 CG2 THR A 22 6.682 -12.234 9.230 1.00 0.00 C ATOM 0 H THR A 22 3.955 -10.848 7.648 1.00 0.00 H new ATOM 0 HA THR A 22 4.180 -12.160 10.279 1.00 0.00 H new ATOM 0 HB THR A 22 6.186 -10.749 10.683 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.159 -9.733 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.748 -12.008 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.475 -13.058 9.912 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.387 -12.516 8.219 1.00 0.00 H new ATOM 304 N ALA A 23 3.973 -9.708 11.441 1.00 0.00 N ATOM 305 CA ALA A 23 3.342 -8.564 12.088 1.00 0.00 C ATOM 306 C ALA A 23 3.632 -7.275 11.328 1.00 0.00 C ATOM 307 O ALA A 23 2.773 -6.401 11.218 1.00 0.00 O ATOM 308 CB ALA A 23 3.812 -8.447 13.530 1.00 0.00 C ATOM 0 H ALA A 23 4.674 -10.181 12.011 1.00 0.00 H new ATOM 0 HA ALA A 23 2.264 -8.724 12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.333 -7.588 14.000 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.547 -9.354 14.074 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.894 -8.315 13.551 1.00 0.00 H new ATOM 314 N ARG A 24 4.849 -7.162 10.806 1.00 0.00 N ATOM 315 CA ARG A 24 5.254 -5.978 10.058 1.00 0.00 C ATOM 316 C ARG A 24 4.397 -5.807 8.807 1.00 0.00 C ATOM 317 O ARG A 24 3.871 -4.726 8.547 1.00 0.00 O ATOM 318 CB ARG A 24 6.730 -6.074 9.669 1.00 0.00 C ATOM 319 CG ARG A 24 7.681 -5.679 10.787 1.00 0.00 C ATOM 320 CD ARG A 24 7.597 -4.191 11.090 1.00 0.00 C ATOM 321 NE ARG A 24 8.532 -3.793 12.140 1.00 0.00 N ATOM 322 CZ ARG A 24 9.807 -3.496 11.914 1.00 0.00 C ATOM 323 NH1 ARG A 24 10.297 -3.552 10.684 1.00 0.00 N ATOM 324 NH2 ARG A 24 10.595 -3.142 12.922 1.00 0.00 N ATOM 0 H ARG A 24 5.572 -7.877 10.887 1.00 0.00 H new ATOM 0 HA ARG A 24 5.111 -5.108 10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.950 -7.096 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.912 -5.434 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.444 -6.248 11.686 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.702 -5.937 10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.807 -3.624 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.581 -3.940 11.395 1.00 0.00 H new ATOM 0 HE ARG A 24 8.187 -3.740 13.098 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.695 -3.824 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.276 -3.323 10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.222 -3.098 13.870 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.574 -2.914 12.748 1.00 0.00 H new ATOM 338 N GLU A 25 4.264 -6.881 8.035 1.00 0.00 N ATOM 339 CA GLU A 25 3.473 -6.848 6.811 1.00 0.00 C ATOM 340 C GLU A 25 2.006 -6.564 7.118 1.00 0.00 C ATOM 341 O GLU A 25 1.581 -6.611 8.274 1.00 0.00 O ATOM 342 CB GLU A 25 3.600 -8.175 6.059 1.00 0.00 C ATOM 343 CG GLU A 25 4.982 -8.413 5.473 1.00 0.00 C ATOM 344 CD GLU A 25 5.108 -9.770 4.808 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.078 -10.297 4.338 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.235 -10.304 4.759 1.00 0.00 O ATOM 0 H GLU A 25 4.694 -7.784 8.236 1.00 0.00 H new ATOM 0 HA GLU A 25 3.857 -6.044 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.357 -8.992 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.865 -8.199 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.203 -7.633 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.727 -8.330 6.264 1.00 0.00 H new ATOM 353 N LEU A 26 1.235 -6.269 6.077 1.00 0.00 N ATOM 354 CA LEU A 26 -0.185 -5.976 6.235 1.00 0.00 C ATOM 355 C LEU A 26 -1.036 -6.964 5.443 1.00 0.00 C ATOM 356 O LEU A 26 -0.624 -7.448 4.389 1.00 0.00 O ATOM 357 CB LEU A 26 -0.485 -4.547 5.779 1.00 0.00 C ATOM 358 CG LEU A 26 0.237 -3.435 6.539 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.003 -2.089 5.871 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.216 -3.400 7.991 1.00 0.00 C ATOM 0 H LEU A 26 1.570 -6.226 5.114 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.436 -6.074 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.230 -4.463 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.559 -4.378 5.862 1.00 0.00 H new ATOM 0 HG LEU A 26 1.307 -3.642 6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.519 -1.309 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.372 -2.119 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.071 -1.874 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.309 -2.602 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.290 -3.217 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.008 -4.355 8.465 1.00 0.00 H new ATOM 372 N SER A 27 -2.226 -7.258 5.958 1.00 0.00 N ATOM 373 CA SER A 27 -3.134 -8.189 5.300 1.00 0.00 C ATOM 374 C SER A 27 -4.319 -7.450 4.685 1.00 0.00 C ATOM 375 O SER A 27 -5.085 -6.789 5.386 1.00 0.00 O ATOM 376 CB SER A 27 -3.634 -9.237 6.296 1.00 0.00 C ATOM 377 OG SER A 27 -2.568 -10.046 6.763 1.00 0.00 O ATOM 0 H SER A 27 -2.583 -6.865 6.829 1.00 0.00 H new ATOM 0 HA SER A 27 -2.586 -8.689 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.115 -8.741 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.389 -9.863 5.821 1.00 0.00 H new ATOM 0 HG SER A 27 -1.908 -9.485 7.221 1.00 0.00 H new ATOM 383 N PHE A 28 -4.462 -7.566 3.369 1.00 0.00 N ATOM 384 CA PHE A 28 -5.552 -6.909 2.657 1.00 0.00 C ATOM 385 C PHE A 28 -6.155 -7.838 1.607 1.00 0.00 C ATOM 386 O PHE A 28 -5.615 -8.908 1.325 1.00 0.00 O ATOM 387 CB PHE A 28 -5.054 -5.624 1.992 1.00 0.00 C ATOM 388 CG PHE A 28 -3.772 -5.802 1.230 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.783 -6.296 -0.064 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.556 -5.476 1.809 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.605 -6.460 -0.769 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.375 -5.638 1.109 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.399 -6.132 -0.181 1.00 0.00 C ATOM 0 H PHE A 28 -3.837 -8.109 2.774 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.326 -6.658 3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.823 -5.254 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.910 -4.861 2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.723 -6.556 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.531 -5.091 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.628 -6.844 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.434 -5.378 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.477 -6.261 -0.728 1.00 0.00 H new ATOM 403 N LYS A 29 -7.278 -7.421 1.032 1.00 0.00 N ATOM 404 CA LYS A 29 -7.956 -8.213 0.013 1.00 0.00 C ATOM 405 C LYS A 29 -7.987 -7.472 -1.320 1.00 0.00 C ATOM 406 O LYS A 29 -8.022 -6.242 -1.358 1.00 0.00 O ATOM 407 CB LYS A 29 -9.382 -8.543 0.459 1.00 0.00 C ATOM 408 CG LYS A 29 -9.444 -9.480 1.652 1.00 0.00 C ATOM 409 CD LYS A 29 -9.350 -8.720 2.964 1.00 0.00 C ATOM 410 CE LYS A 29 -10.713 -8.219 3.417 1.00 0.00 C ATOM 411 NZ LYS A 29 -10.612 -7.344 4.618 1.00 0.00 N ATOM 0 H LYS A 29 -7.738 -6.538 1.255 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.400 -9.141 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.899 -7.617 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.919 -8.994 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.376 -10.045 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.631 -10.203 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.926 -9.368 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.671 -7.875 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.185 -7.667 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.357 -9.070 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.562 -7.024 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.185 -7.878 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.019 -6.519 4.397 1.00 0.00 H new ATOM 425 N LYS A 30 -7.976 -8.228 -2.413 1.00 0.00 N ATOM 426 CA LYS A 30 -8.006 -7.644 -3.748 1.00 0.00 C ATOM 427 C LYS A 30 -9.095 -6.581 -3.853 1.00 0.00 C ATOM 428 O LYS A 30 -10.253 -6.830 -3.519 1.00 0.00 O ATOM 429 CB LYS A 30 -8.239 -8.733 -4.798 1.00 0.00 C ATOM 430 CG LYS A 30 -7.962 -8.276 -6.220 1.00 0.00 C ATOM 431 CD LYS A 30 -8.404 -9.315 -7.236 1.00 0.00 C ATOM 432 CE LYS A 30 -7.326 -10.363 -7.468 1.00 0.00 C ATOM 433 NZ LYS A 30 -7.360 -11.433 -6.432 1.00 0.00 N ATOM 0 H LYS A 30 -7.946 -9.247 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.042 -7.170 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.603 -9.588 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.271 -9.076 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.482 -7.337 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.896 -8.080 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.316 -9.800 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.644 -8.824 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.458 -10.808 -8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.347 -9.884 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.477 -11.413 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.167 -11.274 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.460 -12.360 -6.893 1.00 0.00 H new ATOM 447 N GLY A 31 -8.716 -5.395 -4.320 1.00 0.00 N ATOM 448 CA GLY A 31 -9.673 -4.313 -4.461 1.00 0.00 C ATOM 449 C GLY A 31 -9.712 -3.412 -3.243 1.00 0.00 C ATOM 450 O GLY A 31 -10.008 -2.222 -3.353 1.00 0.00 O ATOM 0 H GLY A 31 -7.764 -5.164 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.420 -3.720 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.665 -4.730 -4.633 1.00 0.00 H new ATOM 454 N ALA A 32 -9.415 -3.979 -2.079 1.00 0.00 N ATOM 455 CA ALA A 32 -9.418 -3.218 -0.836 1.00 0.00 C ATOM 456 C ALA A 32 -8.575 -1.954 -0.964 1.00 0.00 C ATOM 457 O ALA A 32 -7.437 -2.000 -1.430 1.00 0.00 O ATOM 458 CB ALA A 32 -8.909 -4.079 0.311 1.00 0.00 C ATOM 0 H ALA A 32 -9.169 -4.963 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.445 -2.919 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.917 -3.498 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.554 -4.950 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.892 -4.406 0.097 1.00 0.00 H new ATOM 464 N SER A 33 -9.142 -0.826 -0.548 1.00 0.00 N ATOM 465 CA SER A 33 -8.444 0.453 -0.621 1.00 0.00 C ATOM 466 C SER A 33 -7.353 0.537 0.442 1.00 0.00 C ATOM 467 O SER A 33 -7.583 0.225 1.611 1.00 0.00 O ATOM 468 CB SER A 33 -9.432 1.608 -0.447 1.00 0.00 C ATOM 469 OG SER A 33 -8.795 2.858 -0.644 1.00 0.00 O ATOM 0 H SER A 33 -10.082 -0.771 -0.157 1.00 0.00 H new ATOM 0 HA SER A 33 -7.977 0.529 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.253 1.499 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.867 1.571 0.552 1.00 0.00 H new ATOM 0 HG SER A 33 -9.448 3.580 -0.529 1.00 0.00 H new ATOM 475 N LEU A 34 -6.165 0.962 0.027 1.00 0.00 N ATOM 476 CA LEU A 34 -5.036 1.089 0.943 1.00 0.00 C ATOM 477 C LEU A 34 -4.361 2.448 0.791 1.00 0.00 C ATOM 478 O LEU A 34 -4.241 2.974 -0.317 1.00 0.00 O ATOM 479 CB LEU A 34 -4.021 -0.028 0.689 1.00 0.00 C ATOM 480 CG LEU A 34 -4.584 -1.449 0.641 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.746 -2.324 -0.278 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.644 -2.046 2.040 1.00 0.00 C ATOM 0 H LEU A 34 -5.958 1.224 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.415 1.004 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.518 0.174 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.262 0.014 1.470 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.598 -1.405 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.162 -3.331 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.754 -1.906 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.721 -2.362 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.047 -3.057 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.641 -2.077 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.287 -1.432 2.670 1.00 0.00 H new ATOM 494 N LEU A 35 -3.922 3.013 1.910 1.00 0.00 N ATOM 495 CA LEU A 35 -3.257 4.311 1.902 1.00 0.00 C ATOM 496 C LEU A 35 -1.744 4.149 2.009 1.00 0.00 C ATOM 497 O LEU A 35 -1.251 3.291 2.742 1.00 0.00 O ATOM 498 CB LEU A 35 -3.771 5.177 3.054 1.00 0.00 C ATOM 499 CG LEU A 35 -3.777 6.686 2.810 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.836 7.056 1.782 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.010 7.437 4.112 1.00 0.00 C ATOM 0 H LEU A 35 -4.015 2.593 2.835 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.485 4.802 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.788 4.864 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.161 4.974 3.934 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.802 6.975 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.826 8.134 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.624 6.547 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.818 6.753 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.011 8.510 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.971 7.144 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.215 7.197 4.818 1.00 0.00 H new ATOM 513 N LEU A 36 -1.012 4.980 1.274 1.00 0.00 N ATOM 514 CA LEU A 36 0.446 4.930 1.288 1.00 0.00 C ATOM 515 C LEU A 36 1.029 6.226 1.842 1.00 0.00 C ATOM 516 O LEU A 36 0.564 7.318 1.516 1.00 0.00 O ATOM 517 CB LEU A 36 0.980 4.680 -0.124 1.00 0.00 C ATOM 518 CG LEU A 36 0.486 3.408 -0.813 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.205 3.205 -2.138 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.681 2.201 0.093 1.00 0.00 C ATOM 0 H LEU A 36 -1.404 5.696 0.662 1.00 0.00 H new ATOM 0 HA LEU A 36 0.752 4.109 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.714 5.534 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.068 4.645 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.580 3.517 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.840 2.295 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.014 4.057 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.277 3.117 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.324 1.304 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.740 2.089 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.119 2.344 1.016 1.00 0.00 H new ATOM 532 N TYR A 37 2.051 6.096 2.681 1.00 0.00 N ATOM 533 CA TYR A 37 2.699 7.256 3.282 1.00 0.00 C ATOM 534 C TYR A 37 4.106 7.445 2.723 1.00 0.00 C ATOM 535 O TYR A 37 4.485 8.547 2.327 1.00 0.00 O ATOM 536 CB TYR A 37 2.758 7.103 4.802 1.00 0.00 C ATOM 537 CG TYR A 37 1.398 6.977 5.452 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.388 7.891 5.177 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.124 5.946 6.341 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.855 7.781 5.768 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.117 5.826 6.935 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.103 6.746 6.646 1.00 0.00 C ATOM 543 OH TYR A 37 -2.340 6.632 7.238 1.00 0.00 O ATOM 0 H TYR A 37 2.448 5.199 2.960 1.00 0.00 H new ATOM 0 HA TYR A 37 2.108 8.138 3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.351 6.222 5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.275 7.964 5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.579 8.701 4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.895 5.226 6.572 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.628 8.501 5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.314 5.016 7.622 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.834 7.471 7.127 1.00 0.00 H new ATOM 553 N GLN A 38 4.874 6.361 2.695 1.00 0.00 N ATOM 554 CA GLN A 38 6.240 6.406 2.185 1.00 0.00 C ATOM 555 C GLN A 38 6.682 5.033 1.690 1.00 0.00 C ATOM 556 O GLN A 38 6.261 4.006 2.223 1.00 0.00 O ATOM 557 CB GLN A 38 7.196 6.902 3.271 1.00 0.00 C ATOM 558 CG GLN A 38 7.210 8.415 3.425 1.00 0.00 C ATOM 559 CD GLN A 38 8.200 8.885 4.472 1.00 0.00 C ATOM 560 OE1 GLN A 38 7.819 9.483 5.479 1.00 0.00 O ATOM 561 NE2 GLN A 38 9.480 8.617 4.241 1.00 0.00 N ATOM 0 H GLN A 38 4.574 5.441 3.019 1.00 0.00 H new ATOM 0 HA GLN A 38 6.265 7.100 1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.917 6.451 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.205 6.559 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.456 8.872 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.211 8.758 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.752 8.119 3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.191 8.909 4.911 1.00 0.00 H new ATOM 570 N ARG A 39 7.532 5.023 0.669 1.00 0.00 N ATOM 571 CA ARG A 39 8.029 3.776 0.101 1.00 0.00 C ATOM 572 C ARG A 39 9.120 3.174 0.982 1.00 0.00 C ATOM 573 O ARG A 39 10.274 3.600 0.937 1.00 0.00 O ATOM 574 CB ARG A 39 8.572 4.014 -1.309 1.00 0.00 C ATOM 575 CG ARG A 39 9.144 2.765 -1.960 1.00 0.00 C ATOM 576 CD ARG A 39 8.074 1.989 -2.713 1.00 0.00 C ATOM 577 NE ARG A 39 8.645 1.137 -3.753 1.00 0.00 N ATOM 578 CZ ARG A 39 9.082 1.595 -4.920 1.00 0.00 C ATOM 579 NH1 ARG A 39 9.015 2.890 -5.195 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.589 0.756 -5.815 1.00 0.00 N ATOM 0 H ARG A 39 7.891 5.865 0.218 1.00 0.00 H new ATOM 0 HA ARG A 39 7.198 3.073 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.771 4.406 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.347 4.779 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.943 3.045 -2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.589 2.127 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.510 1.375 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.369 2.688 -3.163 1.00 0.00 H new ATOM 0 HE ARG A 39 8.712 0.135 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.627 3.538 -4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.352 3.239 -6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.643 -0.241 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.925 1.108 -6.711 1.00 0.00 H new ATOM 594 N ALA A 40 8.745 2.182 1.784 1.00 0.00 N ATOM 595 CA ALA A 40 9.691 1.521 2.674 1.00 0.00 C ATOM 596 C ALA A 40 10.880 0.965 1.898 1.00 0.00 C ATOM 597 O ALA A 40 12.026 1.080 2.332 1.00 0.00 O ATOM 598 CB ALA A 40 8.998 0.411 3.450 1.00 0.00 C ATOM 0 H ALA A 40 7.793 1.819 1.835 1.00 0.00 H new ATOM 0 HA ALA A 40 10.067 2.262 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.716 -0.074 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.187 0.833 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.593 -0.323 2.753 1.00 0.00 H new ATOM 604 N SER A 41 10.599 0.361 0.747 1.00 0.00 N ATOM 605 CA SER A 41 11.645 -0.217 -0.088 1.00 0.00 C ATOM 606 C SER A 41 11.153 -0.411 -1.519 1.00 0.00 C ATOM 607 O SER A 41 9.983 -0.174 -1.822 1.00 0.00 O ATOM 608 CB SER A 41 12.106 -1.556 0.490 1.00 0.00 C ATOM 609 OG SER A 41 13.462 -1.811 0.167 1.00 0.00 O ATOM 0 H SER A 41 9.656 0.260 0.372 1.00 0.00 H new ATOM 0 HA SER A 41 12.488 0.474 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.982 -1.550 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.479 -2.359 0.101 1.00 0.00 H new ATOM 0 HG SER A 41 13.733 -2.672 0.549 1.00 0.00 H new ATOM 615 N ASP A 42 12.054 -0.842 -2.394 1.00 0.00 N ATOM 616 CA ASP A 42 11.713 -1.069 -3.794 1.00 0.00 C ATOM 617 C ASP A 42 10.643 -2.148 -3.924 1.00 0.00 C ATOM 618 O ASP A 42 9.897 -2.182 -4.904 1.00 0.00 O ATOM 619 CB ASP A 42 12.958 -1.470 -4.586 1.00 0.00 C ATOM 620 CG ASP A 42 14.014 -0.382 -4.595 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.581 -0.096 -3.519 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.274 0.183 -5.678 1.00 0.00 O ATOM 0 H ASP A 42 13.026 -1.041 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 42 11.317 -0.139 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.381 -2.379 -4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.673 -1.704 -5.612 1.00 0.00 H new ATOM 627 N ASP A 43 10.573 -3.028 -2.932 1.00 0.00 N ATOM 628 CA ASP A 43 9.594 -4.109 -2.935 1.00 0.00 C ATOM 629 C ASP A 43 8.727 -4.061 -1.681 1.00 0.00 C ATOM 630 O ASP A 43 8.227 -5.088 -1.221 1.00 0.00 O ATOM 631 CB ASP A 43 10.298 -5.463 -3.033 1.00 0.00 C ATOM 632 CG ASP A 43 10.685 -5.814 -4.456 1.00 0.00 C ATOM 633 OD1 ASP A 43 10.084 -5.244 -5.391 1.00 0.00 O ATOM 634 OD2 ASP A 43 11.587 -6.658 -4.635 1.00 0.00 O ATOM 0 H ASP A 43 11.183 -3.014 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 43 8.950 -3.980 -3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.192 -5.450 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.643 -6.239 -2.636 1.00 0.00 H new ATOM 639 N TRP A 44 8.556 -2.864 -1.132 1.00 0.00 N ATOM 640 CA TRP A 44 7.751 -2.683 0.071 1.00 0.00 C ATOM 641 C TRP A 44 7.235 -1.252 0.170 1.00 0.00 C ATOM 642 O TRP A 44 7.743 -0.352 -0.498 1.00 0.00 O ATOM 643 CB TRP A 44 8.570 -3.031 1.315 1.00 0.00 C ATOM 644 CG TRP A 44 8.856 -4.496 1.448 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.074 -5.105 1.352 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.904 -5.536 1.698 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.937 -6.461 1.528 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.615 -6.750 1.742 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.520 -5.559 1.890 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.988 -7.972 1.970 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.899 -6.772 2.116 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.632 -7.965 2.155 1.00 0.00 C ATOM 0 H TRP A 44 8.964 -2.005 -1.500 1.00 0.00 H new ATOM 0 HA TRP A 44 6.895 -3.354 0.010 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.513 -2.485 1.284 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.034 -2.691 2.201 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.008 -4.596 1.165 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.696 -7.142 1.503 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.946 -4.645 1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.552 -8.893 2.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.830 -6.801 2.265 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.117 -8.897 2.335 1.00 0.00 H new ATOM 663 N TRP A 45 6.224 -1.049 1.007 1.00 0.00 N ATOM 664 CA TRP A 45 5.640 0.274 1.193 1.00 0.00 C ATOM 665 C TRP A 45 5.279 0.509 2.656 1.00 0.00 C ATOM 666 O TRP A 45 5.137 -0.438 3.429 1.00 0.00 O ATOM 667 CB TRP A 45 4.397 0.434 0.316 1.00 0.00 C ATOM 668 CG TRP A 45 4.712 0.836 -1.093 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.071 0.010 -2.120 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.698 2.163 -1.629 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.281 0.744 -3.262 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.058 2.067 -2.988 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.416 3.423 -1.095 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.143 3.184 -3.816 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.500 4.530 -1.917 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.860 4.405 -3.266 1.00 0.00 C ATOM 0 H TRP A 45 5.792 -1.784 1.567 1.00 0.00 H new ATOM 0 HA TRP A 45 6.382 1.016 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.846 -0.507 0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.741 1.182 0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.175 -1.062 -2.045 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.558 0.365 -4.167 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.137 3.530 -0.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.422 3.090 -4.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.285 5.508 -1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.915 5.289 -3.883 1.00 0.00 H new ATOM 687 N GLU A 46 5.131 1.777 3.028 1.00 0.00 N ATOM 688 CA GLU A 46 4.787 2.134 4.400 1.00 0.00 C ATOM 689 C GLU A 46 3.473 2.910 4.446 1.00 0.00 C ATOM 690 O GLU A 46 3.453 4.128 4.275 1.00 0.00 O ATOM 691 CB GLU A 46 5.906 2.965 5.030 1.00 0.00 C ATOM 692 CG GLU A 46 7.241 2.242 5.091 1.00 0.00 C ATOM 693 CD GLU A 46 8.098 2.698 6.255 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.891 2.195 7.379 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.978 3.559 6.042 1.00 0.00 O ATOM 0 H GLU A 46 5.244 2.573 2.400 1.00 0.00 H new ATOM 0 HA GLU A 46 4.665 1.213 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.027 3.887 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.611 3.251 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.066 1.169 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.782 2.407 4.159 1.00 0.00 H new ATOM 702 N GLY A 47 2.377 2.194 4.679 1.00 0.00 N ATOM 703 CA GLY A 47 1.075 2.831 4.744 1.00 0.00 C ATOM 704 C GLY A 47 0.246 2.338 5.913 1.00 0.00 C ATOM 705 O GLY A 47 0.787 1.839 6.900 1.00 0.00 O ATOM 0 H GLY A 47 2.368 1.184 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.206 3.910 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.536 2.644 3.816 1.00 0.00 H new ATOM 709 N ARG A 48 -1.071 2.479 5.803 1.00 0.00 N ATOM 710 CA ARG A 48 -1.977 2.047 6.861 1.00 0.00 C ATOM 711 C ARG A 48 -3.121 1.214 6.291 1.00 0.00 C ATOM 712 O ARG A 48 -3.553 1.428 5.157 1.00 0.00 O ATOM 713 CB ARG A 48 -2.536 3.258 7.609 1.00 0.00 C ATOM 714 CG ARG A 48 -3.689 2.920 8.540 1.00 0.00 C ATOM 715 CD ARG A 48 -4.522 4.150 8.865 1.00 0.00 C ATOM 716 NE ARG A 48 -5.568 4.380 7.872 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.643 5.128 8.097 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.812 5.715 9.273 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.551 5.290 7.143 1.00 0.00 N ATOM 0 H ARG A 48 -1.534 2.889 4.992 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.412 1.428 7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.735 3.718 8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.871 3.999 6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.322 2.163 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.299 2.489 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.976 4.031 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.873 5.024 8.917 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.468 3.943 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.116 5.593 10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.638 6.289 9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.424 4.840 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.376 5.864 7.316 1.00 0.00 H new ATOM 733 N HIS A 49 -3.608 0.265 7.083 1.00 0.00 N ATOM 734 CA HIS A 49 -4.703 -0.600 6.657 1.00 0.00 C ATOM 735 C HIS A 49 -5.754 -0.727 7.756 1.00 0.00 C ATOM 736 O HIS A 49 -5.620 -1.545 8.665 1.00 0.00 O ATOM 737 CB HIS A 49 -4.171 -1.983 6.282 1.00 0.00 C ATOM 738 CG HIS A 49 -5.247 -2.960 5.917 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.518 -4.092 6.656 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.124 -2.967 4.886 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.513 -4.754 6.094 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.899 -4.092 5.018 1.00 0.00 N ATOM 0 H HIS A 49 -3.262 0.075 8.024 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.171 -0.149 5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.482 -1.883 5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.598 -2.382 7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.200 -2.225 4.105 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.939 -5.679 6.453 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.651 -4.371 4.388 1.00 0.00 H new ATOM 751 N ASN A 50 -6.799 0.089 7.665 1.00 0.00 N ATOM 752 CA ASN A 50 -7.872 0.069 8.653 1.00 0.00 C ATOM 753 C ASN A 50 -7.343 0.426 10.038 1.00 0.00 C ATOM 754 O ASN A 50 -7.860 -0.043 11.051 1.00 0.00 O ATOM 755 CB ASN A 50 -8.536 -1.309 8.687 1.00 0.00 C ATOM 756 CG ASN A 50 -9.813 -1.316 9.505 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.536 -0.320 9.556 1.00 0.00 O ATOM 758 ND2 ASN A 50 -10.096 -2.441 10.150 1.00 0.00 N ATOM 0 H ASN A 50 -6.926 0.772 6.918 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.613 0.815 8.364 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.759 -1.627 7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.838 -2.036 9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.942 -2.505 10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.468 -3.241 10.079 1.00 0.00 H new ATOM 765 N GLY A 51 -6.310 1.262 10.074 1.00 0.00 N ATOM 766 CA GLY A 51 -5.728 1.668 11.340 1.00 0.00 C ATOM 767 C GLY A 51 -4.463 0.902 11.670 1.00 0.00 C ATOM 768 O GLY A 51 -3.735 1.261 12.597 1.00 0.00 O ATOM 0 H GLY A 51 -5.866 1.665 9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.505 2.734 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.457 1.518 12.136 1.00 0.00 H new ATOM 772 N ILE A 52 -4.199 -0.157 10.911 1.00 0.00 N ATOM 773 CA ILE A 52 -3.013 -0.975 11.128 1.00 0.00 C ATOM 774 C ILE A 52 -1.874 -0.547 10.210 1.00 0.00 C ATOM 775 O ILE A 52 -1.964 -0.678 8.989 1.00 0.00 O ATOM 776 CB ILE A 52 -3.310 -2.469 10.897 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.477 -2.922 11.778 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.071 -3.305 11.179 1.00 0.00 C ATOM 779 CD1 ILE A 52 -5.831 -2.724 11.135 1.00 0.00 C ATOM 0 H ILE A 52 -4.791 -0.468 10.141 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.714 -0.828 12.166 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.591 -2.611 9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.350 -3.977 12.021 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.446 -2.372 12.719 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.297 -4.358 11.011 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.265 -2.996 10.514 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.762 -3.160 12.214 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.611 -3.067 11.815 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.979 -1.666 10.917 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.881 -3.296 10.209 1.00 0.00 H new ATOM 791 N ASP A 53 -0.801 -0.037 10.805 1.00 0.00 N ATOM 792 CA ASP A 53 0.358 0.408 10.041 1.00 0.00 C ATOM 793 C ASP A 53 1.400 -0.702 9.939 1.00 0.00 C ATOM 794 O ASP A 53 1.708 -1.370 10.924 1.00 0.00 O ATOM 795 CB ASP A 53 0.977 1.648 10.689 1.00 0.00 C ATOM 796 CG ASP A 53 1.921 1.298 11.823 1.00 0.00 C ATOM 797 OD1 ASP A 53 3.044 0.831 11.538 1.00 0.00 O ATOM 798 OD2 ASP A 53 1.537 1.492 12.995 1.00 0.00 O ATOM 0 H ASP A 53 -0.710 0.078 11.814 1.00 0.00 H new ATOM 0 HA ASP A 53 0.024 0.662 9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.517 2.218 9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.183 2.292 11.067 1.00 0.00 H new ATOM 803 N GLY A 54 1.938 -0.892 8.738 1.00 0.00 N ATOM 804 CA GLY A 54 2.938 -1.923 8.529 1.00 0.00 C ATOM 805 C GLY A 54 3.614 -1.809 7.176 1.00 0.00 C ATOM 806 O GLY A 54 3.949 -0.710 6.732 1.00 0.00 O ATOM 0 H GLY A 54 1.700 -0.351 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.691 -1.859 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.469 -2.903 8.616 1.00 0.00 H new ATOM 810 N LEU A 55 3.816 -2.946 6.520 1.00 0.00 N ATOM 811 CA LEU A 55 4.458 -2.970 5.210 1.00 0.00 C ATOM 812 C LEU A 55 3.494 -3.473 4.141 1.00 0.00 C ATOM 813 O LEU A 55 2.682 -4.363 4.392 1.00 0.00 O ATOM 814 CB LEU A 55 5.704 -3.857 5.248 1.00 0.00 C ATOM 815 CG LEU A 55 6.905 -3.295 6.009 1.00 0.00 C ATOM 816 CD1 LEU A 55 8.020 -4.326 6.084 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.403 -2.016 5.352 1.00 0.00 C ATOM 0 H LEU A 55 3.545 -3.864 6.873 1.00 0.00 H new ATOM 0 HA LEU A 55 4.752 -1.951 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.431 -4.813 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.012 -4.061 4.222 1.00 0.00 H new ATOM 0 HG LEU A 55 6.588 -3.058 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.866 -3.908 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.659 -5.215 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.335 -4.595 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.258 -1.631 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.703 -2.227 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.606 -1.273 5.352 1.00 0.00 H new ATOM 829 N ILE A 56 3.592 -2.898 2.947 1.00 0.00 N ATOM 830 CA ILE A 56 2.731 -3.290 1.838 1.00 0.00 C ATOM 831 C ILE A 56 3.551 -3.625 0.597 1.00 0.00 C ATOM 832 O ILE A 56 4.398 -2.848 0.154 1.00 0.00 O ATOM 833 CB ILE A 56 1.721 -2.181 1.489 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.771 -1.938 2.664 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.939 -2.551 0.237 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.034 -0.619 2.583 1.00 0.00 C ATOM 0 H ILE A 56 4.259 -2.159 2.723 1.00 0.00 H new ATOM 0 HA ILE A 56 2.186 -4.177 2.161 1.00 0.00 H new ATOM 0 HB ILE A 56 2.269 -1.260 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.044 -2.749 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.340 -1.971 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.229 -1.757 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.628 -2.679 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.399 -3.482 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.621 -0.514 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.754 0.200 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.562 -0.591 1.671 1.00 0.00 H new ATOM 848 N PRO A 57 3.294 -4.807 0.018 1.00 0.00 N ATOM 849 CA PRO A 57 3.996 -5.270 -1.182 1.00 0.00 C ATOM 850 C PRO A 57 3.614 -4.470 -2.423 1.00 0.00 C ATOM 851 O PRO A 57 2.447 -4.124 -2.616 1.00 0.00 O ATOM 852 CB PRO A 57 3.538 -6.724 -1.322 1.00 0.00 C ATOM 853 CG PRO A 57 2.216 -6.772 -0.638 1.00 0.00 C ATOM 854 CD PRO A 57 2.297 -5.783 0.491 1.00 0.00 C ATOM 0 HA PRO A 57 5.076 -5.155 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.452 -7.013 -2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.248 -7.409 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.411 -6.513 -1.326 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.006 -7.774 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.333 -5.312 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.610 -6.259 1.420 1.00 0.00 H new ATOM 862 N HIS A 58 4.603 -4.178 -3.261 1.00 0.00 N ATOM 863 CA HIS A 58 4.369 -3.419 -4.485 1.00 0.00 C ATOM 864 C HIS A 58 3.909 -4.336 -5.614 1.00 0.00 C ATOM 865 O HIS A 58 3.646 -3.881 -6.727 1.00 0.00 O ATOM 866 CB HIS A 58 5.640 -2.677 -4.900 1.00 0.00 C ATOM 867 CG HIS A 58 5.455 -1.794 -6.095 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.265 -0.432 -6.002 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.432 -2.086 -7.417 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.132 0.076 -7.214 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.230 -0.907 -8.091 1.00 0.00 N ATOM 0 H HIS A 58 5.574 -4.455 -3.115 1.00 0.00 H new ATOM 0 HA HIS A 58 3.581 -2.692 -4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.988 -2.073 -4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.422 -3.405 -5.114 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.550 -3.064 -7.859 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.971 1.118 -7.448 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.166 -0.806 -9.104 1.00 0.00 H new ATOM 879 N GLN A 59 3.814 -5.628 -5.319 1.00 0.00 N ATOM 880 CA GLN A 59 3.387 -6.609 -6.310 1.00 0.00 C ATOM 881 C GLN A 59 1.896 -6.899 -6.182 1.00 0.00 C ATOM 882 O GLN A 59 1.252 -7.330 -7.139 1.00 0.00 O ATOM 883 CB GLN A 59 4.186 -7.904 -6.155 1.00 0.00 C ATOM 884 CG GLN A 59 5.690 -7.707 -6.255 1.00 0.00 C ATOM 885 CD GLN A 59 6.317 -7.313 -4.933 1.00 0.00 C ATOM 886 OE1 GLN A 59 6.395 -8.118 -4.005 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.768 -6.067 -4.839 1.00 0.00 N ATOM 0 H GLN A 59 4.027 -6.020 -4.402 1.00 0.00 H new ATOM 0 HA GLN A 59 3.573 -6.192 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.950 -8.353 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.869 -8.611 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.150 -8.629 -6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.903 -6.938 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.683 -5.433 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.199 -5.745 -3.973 1.00 0.00 H new ATOM 896 N TYR A 60 1.352 -6.660 -4.993 1.00 0.00 N ATOM 897 CA TYR A 60 -0.064 -6.898 -4.739 1.00 0.00 C ATOM 898 C TYR A 60 -0.809 -5.583 -4.533 1.00 0.00 C ATOM 899 O TYR A 60 -1.805 -5.527 -3.810 1.00 0.00 O ATOM 900 CB TYR A 60 -0.239 -7.794 -3.511 1.00 0.00 C ATOM 901 CG TYR A 60 0.457 -9.131 -3.633 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.843 -9.213 -3.680 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.272 -10.312 -3.701 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.483 -10.432 -3.792 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.360 -11.535 -3.811 1.00 0.00 C ATOM 906 CZ TYR A 60 1.737 -11.590 -3.857 1.00 0.00 C ATOM 907 OH TYR A 60 2.371 -12.807 -3.967 1.00 0.00 O ATOM 0 H TYR A 60 1.870 -6.302 -4.191 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.484 -7.400 -5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.144 -7.273 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.303 -7.962 -3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.430 -8.308 -3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.351 -10.273 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.561 -10.478 -3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.221 -12.444 -3.861 1.00 0.00 H new ATOM 0 HH TYR A 60 1.702 -13.523 -4.000 1.00 0.00 H new ATOM 917 N ILE A 61 -0.320 -4.527 -5.173 1.00 0.00 N ATOM 918 CA ILE A 61 -0.940 -3.212 -5.063 1.00 0.00 C ATOM 919 C ILE A 61 -0.573 -2.330 -6.251 1.00 0.00 C ATOM 920 O ILE A 61 0.473 -2.512 -6.875 1.00 0.00 O ATOM 921 CB ILE A 61 -0.523 -2.501 -3.762 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.978 -2.200 -3.777 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.885 -3.351 -2.554 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.317 -0.852 -4.373 1.00 0.00 C ATOM 0 H ILE A 61 0.504 -4.556 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.018 -3.371 -5.051 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.063 -1.557 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.359 -2.244 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.491 -2.978 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.584 -2.835 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.962 -3.519 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.369 -4.309 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.397 -0.706 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.966 -0.811 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.833 -0.066 -3.794 1.00 0.00 H new ATOM 936 N VAL A 62 -1.441 -1.371 -6.559 1.00 0.00 N ATOM 937 CA VAL A 62 -1.208 -0.457 -7.671 1.00 0.00 C ATOM 938 C VAL A 62 -1.109 0.985 -7.186 1.00 0.00 C ATOM 939 O VAL A 62 -1.966 1.462 -6.443 1.00 0.00 O ATOM 940 CB VAL A 62 -2.328 -0.557 -8.724 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.042 0.368 -9.897 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.489 -1.995 -9.195 1.00 0.00 C ATOM 0 H VAL A 62 -2.312 -1.207 -6.054 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.263 -0.749 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.265 -0.242 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.844 0.284 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.981 1.397 -9.543 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.096 0.087 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.284 -2.047 -9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.555 -2.339 -9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.744 -2.630 -8.346 1.00 0.00 H new ATOM 952 N VAL A 63 -0.056 1.676 -7.613 1.00 0.00 N ATOM 953 CA VAL A 63 0.155 3.065 -7.224 1.00 0.00 C ATOM 954 C VAL A 63 -0.506 4.019 -8.212 1.00 0.00 C ATOM 955 O VAL A 63 -0.064 4.149 -9.353 1.00 0.00 O ATOM 956 CB VAL A 63 1.655 3.399 -7.129 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.857 4.891 -6.911 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.311 2.596 -6.017 1.00 0.00 C ATOM 0 H VAL A 63 0.664 1.296 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.301 3.192 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 63 2.130 3.126 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.923 5.108 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.424 5.443 -7.746 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.368 5.193 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.371 2.845 -5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.835 2.835 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.198 1.531 -6.222 1.00 0.00 H new