USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 405 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 26 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Set 1.2: A 52 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= 0.345 (180deg=0.325) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -22:sc= -1.65 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -140:sc= 0 (180deg=-0.0627) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 23 ASN : amide:sc= -0.0255 X(o=-0.026,f=-0.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 74:sc= -0.864 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0601 K(o=-0.06,f=-0.87) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -2.21! F(o=-3.2,f=-2.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.274 7.712 -3.654 1.00 0.00 N ATOM 131 CA LYS A 10 55.063 6.238 -3.791 1.00 0.00 C ATOM 132 C LYS A 10 56.322 5.481 -3.353 1.00 0.00 C ATOM 133 O LYS A 10 57.247 6.062 -2.820 1.00 0.00 O ATOM 134 CB LYS A 10 54.781 6.010 -5.279 1.00 0.00 C ATOM 135 CG LYS A 10 53.365 6.493 -5.613 1.00 0.00 C ATOM 136 CD LYS A 10 53.353 7.155 -6.999 1.00 0.00 C ATOM 137 CE LYS A 10 52.594 8.484 -6.934 1.00 0.00 C ATOM 138 NZ LYS A 10 52.246 8.796 -8.348 1.00 0.00 N ATOM 0 HA LYS A 10 54.245 5.878 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.512 6.546 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.882 4.952 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.671 5.653 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 10 53.026 7.202 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.374 7.326 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.882 6.492 -7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 10 51.700 8.398 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.210 9.270 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 51.814 9.741 -8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.108 8.778 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 51.573 8.088 -8.704 1.00 0.00 H new ATOM 152 N VAL A 11 56.359 4.191 -3.575 1.00 0.00 N ATOM 153 CA VAL A 11 57.556 3.380 -3.173 1.00 0.00 C ATOM 154 C VAL A 11 57.629 2.107 -4.014 1.00 0.00 C ATOM 155 O VAL A 11 56.640 1.653 -4.551 1.00 0.00 O ATOM 156 CB VAL A 11 57.375 3.018 -1.688 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.684 4.239 -0.823 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.945 2.536 -1.413 1.00 0.00 C ATOM 0 H VAL A 11 55.610 3.660 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 11 58.477 3.941 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 11 58.063 2.209 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.556 3.982 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.712 4.557 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.005 5.051 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.842 2.286 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.239 3.326 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.736 1.653 -2.017 1.00 0.00 H new ATOM 168 N VAL A 12 58.795 1.529 -4.125 1.00 0.00 N ATOM 169 CA VAL A 12 58.948 0.281 -4.928 1.00 0.00 C ATOM 170 C VAL A 12 58.905 -0.929 -3.970 1.00 0.00 C ATOM 171 O VAL A 12 58.795 -0.768 -2.773 1.00 0.00 O ATOM 172 CB VAL A 12 60.326 0.467 -5.633 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.217 -0.784 -5.584 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.095 0.824 -7.095 1.00 0.00 C ATOM 0 H VAL A 12 59.653 1.870 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 12 58.164 0.102 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 12 60.843 1.260 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.159 -0.580 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.417 -1.048 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.709 -1.612 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.055 0.955 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.540 0.022 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.524 1.750 -7.157 1.00 0.00 H new ATOM 184 N ALA A 13 59.007 -2.127 -4.489 1.00 0.00 N ATOM 185 CA ALA A 13 58.995 -3.337 -3.612 1.00 0.00 C ATOM 186 C ALA A 13 60.338 -4.066 -3.712 1.00 0.00 C ATOM 187 O ALA A 13 60.942 -4.123 -4.768 1.00 0.00 O ATOM 188 CB ALA A 13 57.873 -4.213 -4.157 1.00 0.00 C ATOM 0 H ALA A 13 59.098 -2.319 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 13 58.840 -3.086 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.801 -5.124 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.929 -3.670 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.085 -4.472 -5.194 1.00 0.00 H new ATOM 194 N LEU A 14 60.810 -4.619 -2.624 1.00 0.00 N ATOM 195 CA LEU A 14 62.118 -5.343 -2.653 1.00 0.00 C ATOM 196 C LEU A 14 61.896 -6.855 -2.560 1.00 0.00 C ATOM 197 O LEU A 14 62.609 -7.631 -3.168 1.00 0.00 O ATOM 198 CB LEU A 14 62.882 -4.836 -1.429 1.00 0.00 C ATOM 199 CG LEU A 14 63.113 -3.330 -1.557 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.488 -2.752 -0.191 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.250 -3.072 -2.548 1.00 0.00 C ATOM 0 H LEU A 14 60.346 -4.601 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 14 62.665 -5.162 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.319 -5.052 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.837 -5.355 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 14 62.201 -2.852 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.653 -1.678 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.679 -2.936 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.400 -3.229 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.416 -1.999 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.161 -3.550 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.984 -3.483 -3.522 1.00 0.00 H new ATOM 213 N TYR A 15 60.917 -7.274 -1.802 1.00 0.00 N ATOM 214 CA TYR A 15 60.644 -8.737 -1.663 1.00 0.00 C ATOM 215 C TYR A 15 59.138 -9.008 -1.704 1.00 0.00 C ATOM 216 O TYR A 15 58.335 -8.096 -1.756 1.00 0.00 O ATOM 217 CB TYR A 15 61.216 -9.119 -0.298 1.00 0.00 C ATOM 218 CG TYR A 15 62.716 -8.945 -0.313 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.279 -7.698 -0.019 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.543 -10.031 -0.622 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.670 -7.536 -0.034 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.934 -9.871 -0.637 1.00 0.00 C ATOM 223 CZ TYR A 15 65.497 -8.623 -0.343 1.00 0.00 C ATOM 224 OH TYR A 15 66.867 -8.464 -0.357 1.00 0.00 O ATOM 0 H TYR A 15 60.293 -6.666 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 15 61.091 -9.315 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.775 -8.496 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.962 -10.152 -0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.641 -6.860 0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.108 -10.993 -0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.105 -6.574 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.572 -10.709 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 15 67.293 -9.316 -0.589 1.00 0.00 H new ATOM 234 N ASP A 16 58.757 -10.259 -1.680 1.00 0.00 N ATOM 235 CA ASP A 16 57.304 -10.610 -1.716 1.00 0.00 C ATOM 236 C ASP A 16 56.699 -10.496 -0.314 1.00 0.00 C ATOM 237 O ASP A 16 57.367 -10.720 0.679 1.00 0.00 O ATOM 238 CB ASP A 16 57.257 -12.058 -2.205 1.00 0.00 C ATOM 239 CG ASP A 16 57.403 -12.089 -3.727 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.542 -11.543 -4.396 1.00 0.00 O ATOM 241 OD2 ASP A 16 58.374 -12.659 -4.198 1.00 0.00 O ATOM 0 H ASP A 16 59.392 -11.056 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 16 56.734 -9.944 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.056 -12.636 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.316 -12.522 -1.910 1.00 0.00 H new ATOM 246 N TYR A 17 55.442 -10.142 -0.227 1.00 0.00 N ATOM 247 CA TYR A 17 54.785 -10.002 1.102 1.00 0.00 C ATOM 248 C TYR A 17 53.265 -10.074 0.904 1.00 0.00 C ATOM 249 O TYR A 17 52.700 -9.349 0.107 1.00 0.00 O ATOM 250 CB TYR A 17 55.259 -8.629 1.589 1.00 0.00 C ATOM 251 CG TYR A 17 54.540 -8.209 2.848 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.315 -7.537 2.767 1.00 0.00 C ATOM 253 CD2 TYR A 17 55.116 -8.467 4.097 1.00 0.00 C ATOM 254 CE1 TYR A 17 52.666 -7.122 3.935 1.00 0.00 C ATOM 255 CE2 TYR A 17 54.466 -8.058 5.265 1.00 0.00 C ATOM 256 CZ TYR A 17 53.244 -7.384 5.184 1.00 0.00 C ATOM 257 OH TYR A 17 52.612 -6.972 6.338 1.00 0.00 O ATOM 0 H TYR A 17 54.841 -9.943 -1.027 1.00 0.00 H new ATOM 0 HA TYR A 17 55.032 -10.779 1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.333 -8.659 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.091 -7.887 0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 17 52.871 -7.339 1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 17 56.063 -8.982 4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 17 51.722 -6.601 3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 17 54.908 -8.263 6.229 1.00 0.00 H new ATOM 0 HH TYR A 17 51.996 -6.239 6.130 1.00 0.00 H new ATOM 267 N MET A 18 52.609 -10.969 1.600 1.00 0.00 N ATOM 268 CA MET A 18 51.122 -11.123 1.428 1.00 0.00 C ATOM 269 C MET A 18 50.362 -10.725 2.702 1.00 0.00 C ATOM 270 O MET A 18 50.944 -10.645 3.765 1.00 0.00 O ATOM 271 CB MET A 18 50.846 -12.609 1.068 1.00 0.00 C ATOM 272 CG MET A 18 51.815 -13.587 1.764 1.00 0.00 C ATOM 273 SD MET A 18 51.619 -13.487 3.561 1.00 0.00 S ATOM 274 CE MET A 18 51.210 -15.227 3.843 1.00 0.00 C ATOM 0 H MET A 18 53.033 -11.601 2.279 1.00 0.00 H new ATOM 0 HA MET A 18 50.771 -10.461 0.636 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.823 -12.861 1.346 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.923 -12.736 -0.012 1.00 0.00 H new ATOM 0 HG2 MET A 18 51.621 -14.605 1.426 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.843 -13.350 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.045 -15.394 4.907 1.00 0.00 H new ATOM 0 HE2 MET A 18 50.305 -15.482 3.291 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.033 -15.854 3.500 1.00 0.00 H new ATOM 284 N PRO A 19 49.068 -10.473 2.555 1.00 0.00 N ATOM 285 CA PRO A 19 48.238 -10.070 3.712 1.00 0.00 C ATOM 286 C PRO A 19 48.279 -11.123 4.824 1.00 0.00 C ATOM 287 O PRO A 19 48.780 -12.217 4.641 1.00 0.00 O ATOM 288 CB PRO A 19 46.835 -9.958 3.107 1.00 0.00 C ATOM 289 CG PRO A 19 46.915 -10.297 1.609 1.00 0.00 C ATOM 290 CD PRO A 19 48.371 -10.573 1.242 1.00 0.00 C ATOM 0 HA PRO A 19 48.580 -9.147 4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.150 -10.639 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.443 -8.950 3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.298 -11.168 1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.526 -9.470 1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.495 -11.558 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.752 -9.846 0.525 1.00 0.00 H new ATOM 298 N MET A 20 47.748 -10.793 5.974 1.00 0.00 N ATOM 299 CA MET A 20 47.741 -11.760 7.114 1.00 0.00 C ATOM 300 C MET A 20 46.452 -11.596 7.923 1.00 0.00 C ATOM 301 O MET A 20 45.677 -12.521 8.069 1.00 0.00 O ATOM 302 CB MET A 20 48.955 -11.383 7.966 1.00 0.00 C ATOM 303 CG MET A 20 50.231 -11.521 7.135 1.00 0.00 C ATOM 304 SD MET A 20 51.633 -11.853 8.230 1.00 0.00 S ATOM 305 CE MET A 20 51.365 -13.633 8.411 1.00 0.00 C ATOM 0 H MET A 20 47.317 -9.890 6.173 1.00 0.00 H new ATOM 0 HA MET A 20 47.787 -12.796 6.780 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.854 -10.360 8.328 1.00 0.00 H new ATOM 0 HB3 MET A 20 49.010 -12.027 8.844 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.121 -12.330 6.412 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.408 -10.608 6.567 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.556 -13.927 9.443 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.334 -13.874 8.150 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.042 -14.172 7.749 1.00 0.00 H new ATOM 315 N ASN A 21 46.224 -10.420 8.449 1.00 0.00 N ATOM 316 CA ASN A 21 44.987 -10.175 9.253 1.00 0.00 C ATOM 317 C ASN A 21 44.083 -9.168 8.536 1.00 0.00 C ATOM 318 O ASN A 21 43.643 -8.193 9.115 1.00 0.00 O ATOM 319 CB ASN A 21 45.486 -9.601 10.579 1.00 0.00 C ATOM 320 CG ASN A 21 44.557 -10.046 11.709 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.350 -9.968 11.586 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.070 -10.513 12.815 1.00 0.00 N ATOM 0 H ASN A 21 46.844 -9.615 8.356 1.00 0.00 H new ATOM 0 HA ASN A 21 44.399 -11.082 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 21 46.503 -9.941 10.775 1.00 0.00 H new ATOM 0 HB3 ASN A 21 45.518 -8.513 10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 21 44.458 -10.812 13.575 1.00 0.00 H new ATOM 0 HD22 ASN A 21 46.082 -10.579 12.920 1.00 0.00 H new ATOM 329 N ALA A 22 43.805 -9.399 7.276 1.00 0.00 N ATOM 330 CA ALA A 22 42.928 -8.465 6.493 1.00 0.00 C ATOM 331 C ALA A 22 43.445 -7.021 6.575 1.00 0.00 C ATOM 332 O ALA A 22 42.704 -6.077 6.372 1.00 0.00 O ATOM 333 CB ALA A 22 41.539 -8.578 7.128 1.00 0.00 C ATOM 0 H ALA A 22 44.150 -10.202 6.750 1.00 0.00 H new ATOM 0 HA ALA A 22 42.913 -8.726 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.845 -7.920 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.188 -9.607 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.594 -8.287 8.177 1.00 0.00 H new ATOM 339 N ASN A 23 44.711 -6.849 6.855 1.00 0.00 N ATOM 340 CA ASN A 23 45.294 -5.476 6.934 1.00 0.00 C ATOM 341 C ASN A 23 46.498 -5.372 6.025 1.00 0.00 C ATOM 342 O ASN A 23 46.601 -4.493 5.191 1.00 0.00 O ATOM 343 CB ASN A 23 45.770 -5.304 8.367 1.00 0.00 C ATOM 344 CG ASN A 23 44.667 -4.660 9.209 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.087 -3.667 8.815 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.351 -5.186 10.361 1.00 0.00 N ATOM 0 H ASN A 23 45.371 -7.606 7.034 1.00 0.00 H new ATOM 0 HA ASN A 23 44.561 -4.725 6.640 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.042 -6.272 8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.666 -4.684 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.618 -4.764 10.930 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.837 -6.019 10.692 1.00 0.00 H new ATOM 353 N ASP A 24 47.431 -6.259 6.222 1.00 0.00 N ATOM 354 CA ASP A 24 48.682 -6.236 5.420 1.00 0.00 C ATOM 355 C ASP A 24 48.373 -6.146 3.916 1.00 0.00 C ATOM 356 O ASP A 24 47.426 -6.738 3.431 1.00 0.00 O ATOM 357 CB ASP A 24 49.403 -7.537 5.780 1.00 0.00 C ATOM 358 CG ASP A 24 50.056 -7.392 7.155 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.498 -6.299 7.469 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.103 -8.378 7.873 1.00 0.00 O ATOM 0 H ASP A 24 47.378 -7.007 6.913 1.00 0.00 H new ATOM 0 HA ASP A 24 49.299 -5.365 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.697 -8.367 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.159 -7.767 5.029 1.00 0.00 H new ATOM 365 N LEU A 25 49.147 -5.380 3.189 1.00 0.00 N ATOM 366 CA LEU A 25 48.891 -5.210 1.726 1.00 0.00 C ATOM 367 C LEU A 25 49.614 -6.290 0.909 1.00 0.00 C ATOM 368 O LEU A 25 50.661 -6.775 1.290 1.00 0.00 O ATOM 369 CB LEU A 25 49.437 -3.814 1.406 1.00 0.00 C ATOM 370 CG LEU A 25 49.057 -3.424 -0.027 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.599 -2.957 -0.066 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.961 -2.287 -0.510 1.00 0.00 C ATOM 0 H LEU A 25 49.949 -4.862 3.548 1.00 0.00 H new ATOM 0 HA LEU A 25 47.835 -5.309 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.034 -3.086 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.521 -3.802 1.521 1.00 0.00 H new ATOM 0 HG LEU A 25 49.181 -4.291 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.333 -2.681 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.949 -3.764 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.476 -2.093 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.688 -2.013 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.840 -1.423 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.000 -2.615 -0.489 1.00 0.00 H new ATOM 384 N GLN A 26 49.050 -6.666 -0.214 1.00 0.00 N ATOM 385 CA GLN A 26 49.682 -7.719 -1.073 1.00 0.00 C ATOM 386 C GLN A 26 50.825 -7.120 -1.889 1.00 0.00 C ATOM 387 O GLN A 26 50.644 -6.713 -3.021 1.00 0.00 O ATOM 388 CB GLN A 26 48.570 -8.199 -2.015 1.00 0.00 C ATOM 389 CG GLN A 26 47.382 -8.733 -1.209 1.00 0.00 C ATOM 390 CD GLN A 26 46.095 -8.546 -2.013 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.085 -8.718 -3.216 1.00 0.00 O ATOM 392 NE2 GLN A 26 44.999 -8.197 -1.396 1.00 0.00 N ATOM 0 H GLN A 26 48.174 -6.287 -0.575 1.00 0.00 H new ATOM 0 HA GLN A 26 50.095 -8.532 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 26 48.245 -7.377 -2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.953 -8.980 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.530 -9.788 -0.979 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.309 -8.207 -0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 26 45.006 -8.052 -0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 26 44.135 -8.069 -1.924 1.00 0.00 H new ATOM 401 N LEU A 27 51.999 -7.065 -1.321 1.00 0.00 N ATOM 402 CA LEU A 27 53.160 -6.494 -2.054 1.00 0.00 C ATOM 403 C LEU A 27 53.807 -7.550 -2.957 1.00 0.00 C ATOM 404 O LEU A 27 53.311 -8.648 -3.116 1.00 0.00 O ATOM 405 CB LEU A 27 54.129 -6.045 -0.962 1.00 0.00 C ATOM 406 CG LEU A 27 53.832 -4.592 -0.579 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.033 -4.553 0.727 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.149 -3.828 -0.397 1.00 0.00 C ATOM 0 H LEU A 27 52.203 -7.393 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 27 52.869 -5.671 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.032 -6.689 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.157 -6.137 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 27 53.248 -4.125 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.824 -3.517 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.094 -5.090 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.612 -5.024 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.935 -2.794 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.736 -4.298 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.713 -3.848 -1.329 1.00 0.00 H new ATOM 420 N ARG A 28 54.916 -7.204 -3.550 1.00 0.00 N ATOM 421 CA ARG A 28 55.652 -8.132 -4.467 1.00 0.00 C ATOM 422 C ARG A 28 56.896 -7.408 -4.986 1.00 0.00 C ATOM 423 O ARG A 28 56.801 -6.317 -5.514 1.00 0.00 O ATOM 424 CB ARG A 28 54.698 -8.439 -5.630 1.00 0.00 C ATOM 425 CG ARG A 28 54.915 -9.878 -6.102 1.00 0.00 C ATOM 426 CD ARG A 28 54.028 -10.159 -7.318 1.00 0.00 C ATOM 427 NE ARG A 28 52.833 -10.854 -6.767 1.00 0.00 N ATOM 428 CZ ARG A 28 52.610 -12.106 -7.063 1.00 0.00 C ATOM 429 NH1 ARG A 28 53.583 -12.973 -7.000 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.416 -12.489 -7.424 1.00 0.00 N ATOM 0 H ARG A 28 55.358 -6.292 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 28 55.960 -9.051 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.664 -8.301 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.874 -7.745 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.963 -10.033 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.678 -10.575 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.749 -9.236 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.545 -10.781 -8.049 1.00 0.00 H new ATOM 0 HE ARG A 28 52.187 -10.352 -6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 28 54.517 -12.672 -6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 28 53.410 -13.951 -7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 28 50.656 -11.810 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.242 -13.467 -7.655 1.00 0.00 H new ATOM 444 N LYS A 29 58.060 -7.984 -4.823 1.00 0.00 N ATOM 445 CA LYS A 29 59.318 -7.303 -5.282 1.00 0.00 C ATOM 446 C LYS A 29 59.205 -6.793 -6.729 1.00 0.00 C ATOM 447 O LYS A 29 58.606 -7.419 -7.581 1.00 0.00 O ATOM 448 CB LYS A 29 60.436 -8.354 -5.120 1.00 0.00 C ATOM 449 CG LYS A 29 60.413 -9.383 -6.261 1.00 0.00 C ATOM 450 CD LYS A 29 59.156 -10.249 -6.154 1.00 0.00 C ATOM 451 CE LYS A 29 59.290 -11.462 -7.077 1.00 0.00 C ATOM 452 NZ LYS A 29 57.909 -11.729 -7.566 1.00 0.00 N ATOM 0 H LYS A 29 58.198 -8.898 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 29 59.525 -6.410 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 29 61.405 -7.855 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.320 -8.866 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 29 60.433 -8.872 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.303 -10.011 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 29 59.014 -10.577 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 29 58.276 -9.666 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 29 59.969 -11.255 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.693 -12.322 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 57.920 -12.549 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 57.287 -11.929 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 57.554 -10.896 -8.077 1.00 0.00 H new ATOM 466 N GLY A 30 59.789 -5.652 -6.993 1.00 0.00 N ATOM 467 CA GLY A 30 59.745 -5.064 -8.366 1.00 0.00 C ATOM 468 C GLY A 30 58.511 -4.169 -8.528 1.00 0.00 C ATOM 469 O GLY A 30 58.549 -3.184 -9.242 1.00 0.00 O ATOM 0 H GLY A 30 60.300 -5.096 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.649 -4.483 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.723 -5.861 -9.109 1.00 0.00 H new ATOM 473 N ASP A 31 57.420 -4.496 -7.878 1.00 0.00 N ATOM 474 CA ASP A 31 56.194 -3.658 -8.005 1.00 0.00 C ATOM 475 C ASP A 31 56.299 -2.446 -7.081 1.00 0.00 C ATOM 476 O ASP A 31 57.008 -2.473 -6.095 1.00 0.00 O ATOM 477 CB ASP A 31 55.036 -4.564 -7.578 1.00 0.00 C ATOM 478 CG ASP A 31 54.310 -5.092 -8.818 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.809 -6.029 -9.419 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.269 -4.549 -9.146 1.00 0.00 O ATOM 0 H ASP A 31 57.329 -5.307 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 31 56.053 -3.281 -9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.413 -5.396 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.342 -4.010 -6.947 1.00 0.00 H new ATOM 485 N GLU A 32 55.603 -1.384 -7.391 1.00 0.00 N ATOM 486 CA GLU A 32 55.667 -0.166 -6.524 1.00 0.00 C ATOM 487 C GLU A 32 54.255 0.168 -6.036 1.00 0.00 C ATOM 488 O GLU A 32 53.278 -0.284 -6.605 1.00 0.00 O ATOM 489 CB GLU A 32 56.236 0.973 -7.394 1.00 0.00 C ATOM 490 CG GLU A 32 57.334 0.460 -8.340 1.00 0.00 C ATOM 491 CD GLU A 32 56.696 -0.032 -9.641 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.115 0.784 -10.339 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.800 -1.215 -9.919 1.00 0.00 O ATOM 0 H GLU A 32 54.993 -1.305 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 32 56.299 -0.318 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.433 1.424 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.642 1.755 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.048 1.256 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.889 -0.349 -7.866 1.00 0.00 H new ATOM 500 N TYR A 33 54.138 0.908 -4.962 1.00 0.00 N ATOM 501 CA TYR A 33 52.783 1.214 -4.412 1.00 0.00 C ATOM 502 C TYR A 33 52.581 2.714 -4.215 1.00 0.00 C ATOM 503 O TYR A 33 53.378 3.531 -4.631 1.00 0.00 O ATOM 504 CB TYR A 33 52.737 0.514 -3.047 1.00 0.00 C ATOM 505 CG TYR A 33 53.342 -0.866 -3.145 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.561 -1.947 -3.563 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.695 -1.046 -2.853 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.138 -3.211 -3.692 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.271 -2.310 -2.972 1.00 0.00 C ATOM 510 CZ TYR A 33 54.494 -3.393 -3.394 1.00 0.00 C ATOM 511 OH TYR A 33 55.067 -4.634 -3.539 1.00 0.00 O ATOM 0 H TYR A 33 54.919 1.312 -4.445 1.00 0.00 H new ATOM 0 HA TYR A 33 52.002 0.877 -5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.280 1.105 -2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.706 0.443 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.514 -1.804 -3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.295 -0.206 -2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.540 -4.048 -4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.316 -2.452 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 33 55.190 -4.828 -4.492 1.00 0.00 H new ATOM 521 N PHE A 34 51.510 3.061 -3.555 1.00 0.00 N ATOM 522 CA PHE A 34 51.205 4.491 -3.281 1.00 0.00 C ATOM 523 C PHE A 34 51.149 4.720 -1.773 1.00 0.00 C ATOM 524 O PHE A 34 50.447 4.030 -1.059 1.00 0.00 O ATOM 525 CB PHE A 34 49.837 4.734 -3.909 1.00 0.00 C ATOM 526 CG PHE A 34 50.019 5.208 -5.329 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.613 4.367 -6.277 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.600 6.493 -5.698 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.788 4.809 -7.594 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.774 6.934 -7.015 1.00 0.00 C ATOM 531 CZ PHE A 34 50.368 6.092 -7.963 1.00 0.00 C ATOM 0 H PHE A 34 50.823 2.402 -3.189 1.00 0.00 H new ATOM 0 HA PHE A 34 51.959 5.165 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.248 3.817 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.286 5.477 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.937 3.377 -5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.143 7.143 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.247 4.160 -8.325 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.450 7.924 -7.300 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.502 6.433 -8.979 1.00 0.00 H new ATOM 541 N ILE A 35 51.892 5.674 -1.284 1.00 0.00 N ATOM 542 CA ILE A 35 51.903 5.942 0.185 1.00 0.00 C ATOM 543 C ILE A 35 50.837 6.969 0.560 1.00 0.00 C ATOM 544 O ILE A 35 50.623 7.943 -0.137 1.00 0.00 O ATOM 545 CB ILE A 35 53.307 6.479 0.485 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.370 5.458 0.045 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.449 6.746 1.986 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.128 4.113 0.739 1.00 0.00 C ATOM 0 H ILE A 35 52.494 6.282 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 35 51.679 5.045 0.762 1.00 0.00 H new ATOM 0 HB ILE A 35 53.453 7.408 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.336 5.329 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.365 5.829 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.448 7.128 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.707 7.482 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.292 5.819 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.886 3.398 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.185 4.246 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.140 3.738 0.471 1.00 0.00 H new ATOM 560 N LEU A 36 50.177 6.753 1.667 1.00 0.00 N ATOM 561 CA LEU A 36 49.126 7.705 2.118 1.00 0.00 C ATOM 562 C LEU A 36 49.582 8.419 3.389 1.00 0.00 C ATOM 563 O LEU A 36 49.176 9.535 3.657 1.00 0.00 O ATOM 564 CB LEU A 36 47.895 6.842 2.396 1.00 0.00 C ATOM 565 CG LEU A 36 47.020 6.776 1.143 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.613 5.767 0.158 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.607 6.338 1.532 1.00 0.00 C ATOM 0 H LEU A 36 50.324 5.952 2.281 1.00 0.00 H new ATOM 0 HA LEU A 36 48.917 8.475 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.201 5.838 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.326 7.259 3.227 1.00 0.00 H new ATOM 0 HG LEU A 36 46.981 7.760 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.989 5.720 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.620 6.078 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.653 4.783 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 36 44.982 6.291 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.647 5.354 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.184 7.057 2.234 1.00 0.00 H new ATOM 579 N GLU A 37 50.421 7.786 4.179 1.00 0.00 N ATOM 580 CA GLU A 37 50.891 8.446 5.438 1.00 0.00 C ATOM 581 C GLU A 37 52.073 7.691 6.055 1.00 0.00 C ATOM 582 O GLU A 37 52.386 6.580 5.670 1.00 0.00 O ATOM 583 CB GLU A 37 49.682 8.410 6.381 1.00 0.00 C ATOM 584 CG GLU A 37 49.237 6.961 6.610 1.00 0.00 C ATOM 585 CD GLU A 37 48.000 6.944 7.511 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.987 7.684 8.481 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.086 6.191 7.215 1.00 0.00 O ATOM 0 H GLU A 37 50.795 6.853 4.008 1.00 0.00 H new ATOM 0 HA GLU A 37 51.242 9.461 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.939 8.875 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 37 48.862 8.988 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.012 6.483 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.043 6.390 7.070 1.00 0.00 H new ATOM 653 N PRO A 42 58.186 2.546 9.864 1.00 0.00 N ATOM 654 CA PRO A 42 58.489 1.293 9.120 1.00 0.00 C ATOM 655 C PRO A 42 57.222 0.783 8.415 1.00 0.00 C ATOM 656 O PRO A 42 57.120 0.822 7.206 1.00 0.00 O ATOM 657 CB PRO A 42 58.945 0.335 10.224 1.00 0.00 C ATOM 658 CG PRO A 42 58.896 1.077 11.572 1.00 0.00 C ATOM 659 CD PRO A 42 58.523 2.540 11.318 1.00 0.00 C ATOM 0 HA PRO A 42 59.239 1.412 8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.300 -0.543 10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.956 -0.019 10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.165 0.611 12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.863 1.016 12.072 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.678 2.854 11.931 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.349 3.214 11.545 1.00 0.00 H new ATOM 667 N TRP A 43 56.245 0.340 9.167 1.00 0.00 N ATOM 668 CA TRP A 43 54.974 -0.140 8.541 1.00 0.00 C ATOM 669 C TRP A 43 54.113 1.073 8.170 1.00 0.00 C ATOM 670 O TRP A 43 54.060 2.047 8.897 1.00 0.00 O ATOM 671 CB TRP A 43 54.293 -0.988 9.615 1.00 0.00 C ATOM 672 CG TRP A 43 55.164 -2.145 9.978 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.041 -2.130 10.990 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.259 -3.466 9.367 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.677 -3.356 11.058 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.228 -4.215 10.077 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.610 -4.085 8.282 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.540 -5.530 9.726 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.922 -5.407 7.927 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.885 -6.128 8.647 1.00 0.00 C ATOM 0 H TRP A 43 56.272 0.290 10.185 1.00 0.00 H new ATOM 0 HA TRP A 43 55.137 -0.717 7.631 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.094 -0.381 10.498 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.330 -1.347 9.251 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.223 -1.293 11.648 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.389 -3.595 11.748 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.867 -3.539 7.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.282 -6.081 10.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.417 -5.872 7.093 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.120 -7.144 8.368 1.00 0.00 H new ATOM 691 N TRP A 44 53.471 1.035 7.031 1.00 0.00 N ATOM 692 CA TRP A 44 52.645 2.203 6.587 1.00 0.00 C ATOM 693 C TRP A 44 51.229 1.778 6.205 1.00 0.00 C ATOM 694 O TRP A 44 50.807 0.676 6.467 1.00 0.00 O ATOM 695 CB TRP A 44 53.356 2.685 5.323 1.00 0.00 C ATOM 696 CG TRP A 44 54.432 3.680 5.614 1.00 0.00 C ATOM 697 CD1 TRP A 44 54.673 4.317 6.789 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.414 4.167 4.675 1.00 0.00 C ATOM 699 NE1 TRP A 44 55.768 5.153 6.617 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.253 5.097 5.322 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.644 3.878 3.326 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.298 5.725 4.641 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.684 4.501 2.634 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.515 5.427 3.288 1.00 0.00 C ATOM 0 H TRP A 44 53.482 0.245 6.386 1.00 0.00 H new ATOM 0 HA TRP A 44 52.555 2.952 7.374 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.788 1.829 4.805 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.626 3.131 4.648 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.109 4.194 7.702 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.166 5.736 7.353 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.012 3.167 2.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 57.933 6.434 5.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.851 4.271 1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.319 5.908 2.750 1.00 0.00 H new ATOM 715 N ARG A 45 50.517 2.654 5.539 1.00 0.00 N ATOM 716 CA ARG A 45 49.148 2.327 5.061 1.00 0.00 C ATOM 717 C ARG A 45 49.083 2.751 3.590 1.00 0.00 C ATOM 718 O ARG A 45 48.424 3.706 3.233 1.00 0.00 O ATOM 719 CB ARG A 45 48.199 3.165 5.919 1.00 0.00 C ATOM 720 CG ARG A 45 47.605 2.291 7.025 1.00 0.00 C ATOM 721 CD ARG A 45 46.440 3.028 7.689 1.00 0.00 C ATOM 722 NE ARG A 45 45.387 3.108 6.638 1.00 0.00 N ATOM 723 CZ ARG A 45 44.608 4.154 6.573 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.878 4.488 7.602 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.560 4.864 5.480 1.00 0.00 N ATOM 0 H ARG A 45 50.836 3.594 5.306 1.00 0.00 H new ATOM 0 HA ARG A 45 48.887 1.272 5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.735 4.008 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.402 3.579 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.260 1.344 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 45 48.369 2.054 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.082 2.490 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.740 4.021 8.024 1.00 0.00 H new ATOM 0 HE ARG A 45 45.275 2.346 5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.916 3.932 8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.269 5.305 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.131 4.602 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.952 5.681 5.429 1.00 0.00 H new ATOM 739 N ALA A 46 49.809 2.060 2.746 1.00 0.00 N ATOM 740 CA ALA A 46 49.860 2.426 1.297 1.00 0.00 C ATOM 741 C ALA A 46 49.019 1.458 0.462 1.00 0.00 C ATOM 742 O ALA A 46 48.663 0.386 0.915 1.00 0.00 O ATOM 743 CB ALA A 46 51.352 2.312 0.932 1.00 0.00 C ATOM 0 H ALA A 46 50.374 1.250 3.002 1.00 0.00 H new ATOM 0 HA ALA A 46 49.458 3.420 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.490 2.564 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.931 3.000 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.693 1.292 1.109 1.00 0.00 H new ATOM 749 N ARG A 47 48.699 1.830 -0.755 1.00 0.00 N ATOM 750 CA ARG A 47 47.880 0.929 -1.621 1.00 0.00 C ATOM 751 C ARG A 47 48.691 0.463 -2.825 1.00 0.00 C ATOM 752 O ARG A 47 49.659 1.087 -3.213 1.00 0.00 O ATOM 753 CB ARG A 47 46.700 1.771 -2.091 1.00 0.00 C ATOM 754 CG ARG A 47 45.780 2.076 -0.912 1.00 0.00 C ATOM 755 CD ARG A 47 45.201 3.485 -1.061 1.00 0.00 C ATOM 756 NE ARG A 47 43.780 3.363 -0.633 1.00 0.00 N ATOM 757 CZ ARG A 47 42.848 3.141 -1.519 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.722 3.936 -2.546 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.043 2.124 -1.377 1.00 0.00 N ATOM 0 H ARG A 47 48.969 2.716 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 47 47.560 0.040 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.058 2.700 -2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.148 1.240 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.974 1.344 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.333 1.997 0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.740 4.201 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.275 3.836 -2.090 1.00 0.00 H new ATOM 0 HE ARG A 47 43.535 3.453 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.352 4.731 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.994 3.763 -3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.142 1.503 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.314 1.950 -2.069 1.00 0.00 H new ATOM 773 N ASP A 48 48.294 -0.628 -3.423 1.00 0.00 N ATOM 774 CA ASP A 48 49.029 -1.148 -4.608 1.00 0.00 C ATOM 775 C ASP A 48 48.301 -0.755 -5.901 1.00 0.00 C ATOM 776 O ASP A 48 47.539 0.193 -5.928 1.00 0.00 O ATOM 777 CB ASP A 48 49.051 -2.669 -4.417 1.00 0.00 C ATOM 778 CG ASP A 48 47.622 -3.222 -4.392 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.847 -2.773 -3.562 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.328 -4.084 -5.203 1.00 0.00 O ATOM 0 H ASP A 48 47.487 -1.183 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 48 50.036 -0.740 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.615 -3.136 -5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.561 -2.918 -3.487 1.00 0.00 H new ATOM 785 N LYS A 49 48.535 -1.476 -6.969 1.00 0.00 N ATOM 786 CA LYS A 49 47.865 -1.147 -8.265 1.00 0.00 C ATOM 787 C LYS A 49 46.410 -1.639 -8.280 1.00 0.00 C ATOM 788 O LYS A 49 45.640 -1.268 -9.146 1.00 0.00 O ATOM 789 CB LYS A 49 48.684 -1.877 -9.332 1.00 0.00 C ATOM 790 CG LYS A 49 49.751 -0.935 -9.893 1.00 0.00 C ATOM 791 CD LYS A 49 50.006 -1.270 -11.364 1.00 0.00 C ATOM 792 CE LYS A 49 48.793 -0.857 -12.201 1.00 0.00 C ATOM 793 NZ LYS A 49 49.115 0.511 -12.696 1.00 0.00 N ATOM 0 H LYS A 49 49.162 -2.280 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 49 47.827 -0.071 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.155 -2.761 -8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.031 -2.222 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.424 0.100 -9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.674 -1.033 -9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.898 -0.751 -11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.193 -2.338 -11.477 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.630 -1.548 -13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 49 47.882 -0.856 -11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.329 0.863 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.258 1.148 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 49.983 0.478 -13.268 1.00 0.00 H new ATOM 807 N ASN A 50 46.026 -2.472 -7.339 1.00 0.00 N ATOM 808 CA ASN A 50 44.625 -2.983 -7.314 1.00 0.00 C ATOM 809 C ASN A 50 43.705 -2.047 -6.515 1.00 0.00 C ATOM 810 O ASN A 50 42.603 -2.419 -6.157 1.00 0.00 O ATOM 811 CB ASN A 50 44.714 -4.350 -6.634 1.00 0.00 C ATOM 812 CG ASN A 50 45.598 -5.281 -7.466 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.641 -5.175 -8.676 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.309 -6.196 -6.866 1.00 0.00 N ATOM 0 H ASN A 50 46.626 -2.817 -6.590 1.00 0.00 H new ATOM 0 HA ASN A 50 44.203 -3.044 -8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.126 -4.242 -5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.718 -4.779 -6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.901 -6.822 -7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.273 -6.285 -5.851 1.00 0.00 H new ATOM 821 N GLY A 51 44.141 -0.841 -6.233 1.00 0.00 N ATOM 822 CA GLY A 51 43.284 0.108 -5.460 1.00 0.00 C ATOM 823 C GLY A 51 42.982 -0.475 -4.077 1.00 0.00 C ATOM 824 O GLY A 51 41.956 -0.194 -3.487 1.00 0.00 O ATOM 0 H GLY A 51 45.053 -0.475 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.790 1.068 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.354 0.293 -5.998 1.00 0.00 H new ATOM 828 N GLN A 52 43.872 -1.283 -3.556 1.00 0.00 N ATOM 829 CA GLN A 52 43.644 -1.888 -2.209 1.00 0.00 C ATOM 830 C GLN A 52 44.669 -1.348 -1.208 1.00 0.00 C ATOM 831 O GLN A 52 45.859 -1.357 -1.462 1.00 0.00 O ATOM 832 CB GLN A 52 43.835 -3.392 -2.413 1.00 0.00 C ATOM 833 CG GLN A 52 42.494 -4.030 -2.779 1.00 0.00 C ATOM 834 CD GLN A 52 42.569 -5.541 -2.549 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.185 -6.254 -3.315 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.963 -6.063 -1.518 1.00 0.00 N ATOM 0 H GLN A 52 44.747 -1.550 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 52 42.657 -1.653 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.564 -3.573 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.230 -3.846 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.697 -3.598 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.252 -3.821 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.445 -5.465 -0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 52 42.007 -7.069 -1.356 1.00 0.00 H new ATOM 845 N GLU A 53 44.213 -0.878 -0.075 1.00 0.00 N ATOM 846 CA GLU A 53 45.157 -0.334 0.950 1.00 0.00 C ATOM 847 C GLU A 53 45.531 -1.420 1.959 1.00 0.00 C ATOM 848 O GLU A 53 44.766 -2.331 2.217 1.00 0.00 O ATOM 849 CB GLU A 53 44.403 0.813 1.638 1.00 0.00 C ATOM 850 CG GLU A 53 43.106 0.293 2.272 1.00 0.00 C ATOM 851 CD GLU A 53 42.905 0.939 3.645 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.109 2.138 3.748 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.550 0.225 4.568 1.00 0.00 O ATOM 0 H GLU A 53 43.227 -0.847 0.186 1.00 0.00 H new ATOM 0 HA GLU A 53 46.088 0.013 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.034 1.265 2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.174 1.593 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.258 0.520 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.149 -0.791 2.373 1.00 0.00 H new ATOM 860 N GLY A 54 46.703 -1.326 2.534 1.00 0.00 N ATOM 861 CA GLY A 54 47.135 -2.344 3.532 1.00 0.00 C ATOM 862 C GLY A 54 48.424 -1.858 4.176 1.00 0.00 C ATOM 863 O GLY A 54 48.722 -0.679 4.137 1.00 0.00 O ATOM 0 H GLY A 54 47.380 -0.585 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.363 -2.488 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.291 -3.308 3.049 1.00 0.00 H new ATOM 867 N TYR A 55 49.193 -2.736 4.771 1.00 0.00 N ATOM 868 CA TYR A 55 50.456 -2.270 5.412 1.00 0.00 C ATOM 869 C TYR A 55 51.679 -2.553 4.535 1.00 0.00 C ATOM 870 O TYR A 55 51.807 -3.602 3.932 1.00 0.00 O ATOM 871 CB TYR A 55 50.554 -3.005 6.752 1.00 0.00 C ATOM 872 CG TYR A 55 49.879 -2.187 7.827 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.586 -1.174 8.486 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.544 -2.441 8.164 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.960 -0.417 9.482 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.917 -1.683 9.161 1.00 0.00 C ATOM 877 CZ TYR A 55 48.626 -0.672 9.819 1.00 0.00 C ATOM 878 OH TYR A 55 48.008 0.076 10.802 1.00 0.00 O ATOM 0 H TYR A 55 49.004 -3.736 4.839 1.00 0.00 H new ATOM 0 HA TYR A 55 50.439 -1.189 5.553 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.083 -3.985 6.676 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.599 -3.173 7.011 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.615 -0.977 8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.998 -3.221 7.655 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.506 0.364 9.991 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.887 -1.879 9.422 1.00 0.00 H new ATOM 0 HH TYR A 55 47.083 -0.229 10.912 1.00 0.00 H new ATOM 888 N ILE A 56 52.575 -1.602 4.467 1.00 0.00 N ATOM 889 CA ILE A 56 53.810 -1.754 3.640 1.00 0.00 C ATOM 890 C ILE A 56 55.057 -1.529 4.535 1.00 0.00 C ATOM 891 O ILE A 56 55.326 -0.403 4.904 1.00 0.00 O ATOM 892 CB ILE A 56 53.683 -0.638 2.577 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.724 -1.087 1.480 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.033 -0.321 1.930 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.291 -1.022 1.997 1.00 0.00 C ATOM 0 H ILE A 56 52.501 -0.711 4.958 1.00 0.00 H new ATOM 0 HA ILE A 56 53.917 -2.740 3.189 1.00 0.00 H new ATOM 0 HB ILE A 56 53.313 0.256 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.834 -0.449 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.963 -2.103 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.905 0.468 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.734 0.011 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.423 -1.216 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.606 -1.343 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.186 -1.678 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.055 0.002 2.288 1.00 0.00 H new ATOM 907 N PRO A 57 55.801 -2.582 4.851 1.00 0.00 N ATOM 908 CA PRO A 57 57.018 -2.405 5.684 1.00 0.00 C ATOM 909 C PRO A 57 58.027 -1.520 4.938 1.00 0.00 C ATOM 910 O PRO A 57 58.276 -1.708 3.762 1.00 0.00 O ATOM 911 CB PRO A 57 57.537 -3.838 5.839 1.00 0.00 C ATOM 912 CG PRO A 57 56.593 -4.793 5.085 1.00 0.00 C ATOM 913 CD PRO A 57 55.485 -3.970 4.418 1.00 0.00 C ATOM 0 HA PRO A 57 56.839 -1.920 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.549 -3.917 5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.585 -4.110 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.147 -5.357 4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.161 -5.518 5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.504 -4.070 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.494 -4.282 4.749 1.00 0.00 H new ATOM 921 N SER A 58 58.594 -0.550 5.609 1.00 0.00 N ATOM 922 CA SER A 58 59.573 0.365 4.941 1.00 0.00 C ATOM 923 C SER A 58 60.760 -0.424 4.384 1.00 0.00 C ATOM 924 O SER A 58 61.225 -0.168 3.291 1.00 0.00 O ATOM 925 CB SER A 58 60.038 1.327 6.034 1.00 0.00 C ATOM 926 OG SER A 58 61.104 2.125 5.534 1.00 0.00 O ATOM 0 H SER A 58 58.421 -0.350 6.594 1.00 0.00 H new ATOM 0 HA SER A 58 59.123 0.890 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.211 1.962 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.366 0.769 6.911 1.00 0.00 H new ATOM 0 HG SER A 58 61.404 2.744 6.232 1.00 0.00 H new ATOM 932 N ASN A 59 61.251 -1.380 5.128 1.00 0.00 N ATOM 933 CA ASN A 59 62.412 -2.189 4.643 1.00 0.00 C ATOM 934 C ASN A 59 62.028 -2.941 3.366 1.00 0.00 C ATOM 935 O ASN A 59 62.813 -3.085 2.448 1.00 0.00 O ATOM 936 CB ASN A 59 62.722 -3.160 5.796 1.00 0.00 C ATOM 937 CG ASN A 59 61.621 -4.220 5.943 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.601 -3.981 6.721 1.00 0.00 O flip ATOM 939 ND2 ASN A 59 61.693 -5.274 5.343 1.00 0.00 N flip ATOM 0 H ASN A 59 60.900 -1.637 6.050 1.00 0.00 H new ATOM 0 HA ASN A 59 63.279 -1.578 4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.679 -3.649 5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.820 -2.603 6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 59 62.490 -5.461 4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.956 -5.972 5.447 1.00 0.00 H new ATOM 946 N TYR A 60 60.823 -3.429 3.329 1.00 0.00 N ATOM 947 CA TYR A 60 60.346 -4.198 2.138 1.00 0.00 C ATOM 948 C TYR A 60 60.238 -3.300 0.897 1.00 0.00 C ATOM 949 O TYR A 60 60.520 -3.733 -0.204 1.00 0.00 O ATOM 950 CB TYR A 60 58.963 -4.729 2.532 1.00 0.00 C ATOM 951 CG TYR A 60 59.079 -6.168 2.980 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.367 -6.465 4.318 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.897 -7.204 2.057 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.475 -7.798 4.732 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.004 -8.538 2.472 1.00 0.00 C ATOM 956 CZ TYR A 60 59.293 -8.834 3.809 1.00 0.00 C ATOM 957 OH TYR A 60 59.399 -10.148 4.217 1.00 0.00 O ATOM 0 H TYR A 60 60.138 -3.330 4.078 1.00 0.00 H new ATOM 0 HA TYR A 60 61.040 -4.997 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.544 -4.121 3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.280 -4.655 1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.506 -5.665 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.674 -6.975 1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.699 -8.027 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.863 -9.338 1.760 1.00 0.00 H new ATOM 0 HH TYR A 60 59.243 -10.741 3.453 1.00 0.00 H new ATOM 967 N VAL A 61 59.820 -2.066 1.054 1.00 0.00 N ATOM 968 CA VAL A 61 59.688 -1.167 -0.140 1.00 0.00 C ATOM 969 C VAL A 61 60.744 -0.060 -0.130 1.00 0.00 C ATOM 970 O VAL A 61 61.430 0.154 0.850 1.00 0.00 O ATOM 971 CB VAL A 61 58.287 -0.551 -0.052 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.235 -1.655 -0.175 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.117 0.170 1.291 1.00 0.00 C ATOM 0 H VAL A 61 59.566 -1.644 1.948 1.00 0.00 H new ATOM 0 HA VAL A 61 59.833 -1.731 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 61 58.160 0.167 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.239 -1.217 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.349 -2.161 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.366 -2.374 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.119 0.605 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.248 -0.542 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.863 0.960 1.377 1.00 0.00 H new ATOM 983 N THR A 62 60.864 0.653 -1.222 1.00 0.00 N ATOM 984 CA THR A 62 61.855 1.764 -1.301 1.00 0.00 C ATOM 985 C THR A 62 61.223 2.951 -2.055 1.00 0.00 C ATOM 986 O THR A 62 60.082 3.291 -1.810 1.00 0.00 O ATOM 987 CB THR A 62 63.060 1.167 -2.045 1.00 0.00 C ATOM 988 OG1 THR A 62 64.096 2.136 -2.116 1.00 0.00 O ATOM 989 CG2 THR A 62 62.653 0.753 -3.461 1.00 0.00 C ATOM 0 H THR A 62 60.312 0.510 -2.068 1.00 0.00 H new ATOM 0 HA THR A 62 62.162 2.148 -0.328 1.00 0.00 H new ATOM 0 HB THR A 62 63.412 0.288 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.866 1.757 -2.589 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.515 0.331 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.860 0.007 -3.408 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.294 1.626 -4.006 1.00 0.00 H new ATOM 997 N GLU A 63 61.933 3.585 -2.962 1.00 0.00 N ATOM 998 CA GLU A 63 61.338 4.735 -3.707 1.00 0.00 C ATOM 999 C GLU A 63 60.633 4.237 -4.973 1.00 0.00 C ATOM 1000 O GLU A 63 61.149 3.406 -5.693 1.00 0.00 O ATOM 1001 CB GLU A 63 62.521 5.636 -4.067 1.00 0.00 C ATOM 1002 CG GLU A 63 62.012 7.038 -4.402 1.00 0.00 C ATOM 1003 CD GLU A 63 63.072 8.073 -4.016 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.124 8.431 -2.851 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.812 8.489 -4.891 1.00 0.00 O ATOM 0 H GLU A 63 62.894 3.354 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 63 60.591 5.266 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.223 5.682 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.062 5.221 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.789 7.110 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.083 7.236 -3.867 1.00 0.00 H new ATOM 1012 N ALA A 64 59.451 4.737 -5.239 1.00 0.00 N ATOM 1013 CA ALA A 64 58.686 4.293 -6.454 1.00 0.00 C ATOM 1014 C ALA A 64 59.562 4.365 -7.714 1.00 0.00 C ATOM 1015 O ALA A 64 60.616 4.973 -7.712 1.00 0.00 O ATOM 1016 CB ALA A 64 57.505 5.265 -6.567 1.00 0.00 C ATOM 0 H ALA A 64 58.978 5.437 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 64 58.358 3.257 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.899 5.002 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.895 5.202 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.880 6.282 -6.681 1.00 0.00 H new