USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=8 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -104:sc= 0.329 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.245 K(o=-0.25,f=-2.4!) USER MOD Single : A 23 ASN : amide:sc= -0.0334 X(o=-0.033,f=-0.011) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 31:sc= -2.27 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.348 K(o=-0.35,f=-2.3!) 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= -4.41! C(o=-5.6!,f=-4.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.144 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.184 7.604 -3.795 1.00 0.00 N ATOM 131 CA LYS A 10 55.010 6.125 -3.917 1.00 0.00 C ATOM 132 C LYS A 10 56.317 5.409 -3.564 1.00 0.00 C ATOM 133 O LYS A 10 57.297 6.031 -3.204 1.00 0.00 O ATOM 134 CB LYS A 10 54.643 5.890 -5.383 1.00 0.00 C ATOM 135 CG LYS A 10 53.214 6.381 -5.639 1.00 0.00 C ATOM 136 CD LYS A 10 53.131 7.020 -7.028 1.00 0.00 C ATOM 137 CE LYS A 10 53.991 8.286 -7.061 1.00 0.00 C ATOM 138 NZ LYS A 10 53.208 9.260 -7.871 1.00 0.00 N ATOM 0 HA LYS A 10 54.247 5.739 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.342 6.417 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.723 4.830 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.514 5.548 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.925 7.105 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.474 6.315 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.096 7.265 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.174 8.665 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.965 8.091 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.733 10.155 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.055 8.874 -8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 52.289 9.431 -7.415 1.00 0.00 H new ATOM 152 N VAL A 11 56.334 4.104 -3.673 1.00 0.00 N ATOM 153 CA VAL A 11 57.574 3.328 -3.349 1.00 0.00 C ATOM 154 C VAL A 11 57.574 2.004 -4.107 1.00 0.00 C ATOM 155 O VAL A 11 56.552 1.556 -4.590 1.00 0.00 O ATOM 156 CB VAL A 11 57.551 3.070 -1.837 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.832 4.378 -1.098 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.191 2.509 -1.410 1.00 0.00 C ATOM 0 H VAL A 11 55.540 3.539 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 11 58.469 3.878 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 11 58.319 2.337 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.817 4.199 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.812 4.757 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.068 5.112 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.192 2.332 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.408 3.225 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 11 56.004 1.571 -1.932 1.00 0.00 H new ATOM 168 N VAL A 12 58.714 1.376 -4.208 1.00 0.00 N ATOM 169 CA VAL A 12 58.803 0.079 -4.930 1.00 0.00 C ATOM 170 C VAL A 12 58.842 -1.060 -3.890 1.00 0.00 C ATOM 171 O VAL A 12 58.881 -0.815 -2.700 1.00 0.00 O ATOM 172 CB VAL A 12 60.117 0.212 -5.750 1.00 0.00 C ATOM 173 CG1 VAL A 12 60.973 -1.065 -5.738 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.773 0.548 -7.198 1.00 0.00 C ATOM 0 H VAL A 12 59.594 1.711 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 12 57.962 -0.149 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 12 60.701 1.003 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.875 -0.904 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.250 -1.308 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.402 -1.890 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.691 0.642 -7.778 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.158 -0.247 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.224 1.489 -7.233 1.00 0.00 H new ATOM 184 N ALA A 13 58.852 -2.292 -4.332 1.00 0.00 N ATOM 185 CA ALA A 13 58.913 -3.437 -3.374 1.00 0.00 C ATOM 186 C ALA A 13 60.302 -4.082 -3.426 1.00 0.00 C ATOM 187 O ALA A 13 60.938 -4.119 -4.462 1.00 0.00 O ATOM 188 CB ALA A 13 57.853 -4.423 -3.855 1.00 0.00 C ATOM 0 H ALA A 13 58.820 -2.555 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 13 58.736 -3.124 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.840 -5.292 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.875 -3.942 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.086 -4.740 -4.871 1.00 0.00 H new ATOM 194 N LEU A 14 60.773 -4.585 -2.315 1.00 0.00 N ATOM 195 CA LEU A 14 62.122 -5.226 -2.289 1.00 0.00 C ATOM 196 C LEU A 14 61.991 -6.752 -2.248 1.00 0.00 C ATOM 197 O LEU A 14 62.861 -7.468 -2.705 1.00 0.00 O ATOM 198 CB LEU A 14 62.780 -4.712 -1.007 1.00 0.00 C ATOM 199 CG LEU A 14 63.496 -3.391 -1.295 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.735 -2.643 0.017 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.839 -3.678 -1.969 1.00 0.00 C ATOM 0 H LEU A 14 60.280 -4.580 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 14 62.707 -4.984 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.027 -4.568 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.490 -5.448 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 14 62.880 -2.780 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.245 -1.702 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.779 -2.440 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.352 -3.253 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 14 65.351 -2.738 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.454 -4.289 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.670 -4.212 -2.904 1.00 0.00 H new ATOM 213 N TYR A 15 60.910 -7.251 -1.703 1.00 0.00 N ATOM 214 CA TYR A 15 60.718 -8.731 -1.629 1.00 0.00 C ATOM 215 C TYR A 15 59.237 -9.087 -1.780 1.00 0.00 C ATOM 216 O TYR A 15 58.415 -8.242 -2.079 1.00 0.00 O ATOM 217 CB TYR A 15 61.224 -9.126 -0.240 1.00 0.00 C ATOM 218 CG TYR A 15 62.732 -9.209 -0.258 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.363 -10.385 -0.680 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.498 -8.109 0.147 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.761 -10.461 -0.697 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.896 -8.186 0.130 1.00 0.00 C ATOM 223 CZ TYR A 15 65.527 -9.363 -0.291 1.00 0.00 C ATOM 224 OH TYR A 15 66.905 -9.438 -0.308 1.00 0.00 O ATOM 0 H TYR A 15 60.152 -6.696 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 15 61.250 -9.254 -2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.898 -8.394 0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.800 -10.086 0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.772 -11.233 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.011 -7.202 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.248 -11.368 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.487 -7.338 0.442 1.00 0.00 H new ATOM 0 HH TYR A 15 67.283 -8.589 0.003 1.00 0.00 H new ATOM 234 N ASP A 16 58.895 -10.335 -1.577 1.00 0.00 N ATOM 235 CA ASP A 16 57.469 -10.759 -1.708 1.00 0.00 C ATOM 236 C ASP A 16 56.821 -10.873 -0.327 1.00 0.00 C ATOM 237 O ASP A 16 57.453 -11.274 0.632 1.00 0.00 O ATOM 238 CB ASP A 16 57.523 -12.127 -2.391 1.00 0.00 C ATOM 239 CG ASP A 16 57.494 -11.941 -3.908 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.467 -11.434 -4.443 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.499 -12.311 -4.511 1.00 0.00 O ATOM 0 H ASP A 16 59.545 -11.080 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 16 56.876 -10.043 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.429 -12.657 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.678 -12.738 -2.073 1.00 0.00 H new ATOM 246 N TYR A 17 55.564 -10.521 -0.220 1.00 0.00 N ATOM 247 CA TYR A 17 54.868 -10.602 1.096 1.00 0.00 C ATOM 248 C TYR A 17 53.349 -10.542 0.875 1.00 0.00 C ATOM 249 O TYR A 17 52.858 -9.764 0.079 1.00 0.00 O ATOM 250 CB TYR A 17 55.387 -9.380 1.873 1.00 0.00 C ATOM 251 CG TYR A 17 54.564 -9.144 3.119 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.402 -8.368 3.046 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.961 -9.698 4.341 1.00 0.00 C ATOM 254 CE1 TYR A 17 52.638 -8.142 4.193 1.00 0.00 C ATOM 255 CE2 TYR A 17 54.195 -9.473 5.491 1.00 0.00 C ATOM 256 CZ TYR A 17 53.034 -8.696 5.417 1.00 0.00 C ATOM 257 OH TYR A 17 52.280 -8.474 6.552 1.00 0.00 O ATOM 0 H TYR A 17 54.990 -10.180 -0.991 1.00 0.00 H new ATOM 0 HA TYR A 17 55.060 -11.527 1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.431 -9.534 2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.351 -8.497 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 17 53.096 -7.943 2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 17 55.857 -10.298 4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 17 51.743 -7.541 4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 17 54.500 -9.899 6.435 1.00 0.00 H new ATOM 0 HH TYR A 17 52.725 -7.806 7.115 1.00 0.00 H new ATOM 267 N MET A 18 52.610 -11.366 1.574 1.00 0.00 N ATOM 268 CA MET A 18 51.126 -11.371 1.412 1.00 0.00 C ATOM 269 C MET A 18 50.440 -10.932 2.717 1.00 0.00 C ATOM 270 O MET A 18 51.072 -10.895 3.755 1.00 0.00 O ATOM 271 CB MET A 18 50.769 -12.820 1.079 1.00 0.00 C ATOM 272 CG MET A 18 50.784 -13.013 -0.439 1.00 0.00 C ATOM 273 SD MET A 18 52.450 -13.478 -0.972 1.00 0.00 S ATOM 274 CE MET A 18 52.292 -15.257 -0.683 1.00 0.00 C ATOM 0 H MET A 18 52.972 -12.037 2.251 1.00 0.00 H new ATOM 0 HA MET A 18 50.796 -10.680 0.637 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.481 -13.498 1.550 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.784 -13.064 1.478 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.070 -13.786 -0.725 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.475 -12.094 -0.936 1.00 0.00 H new ATOM 0 HE1 MET A 18 53.225 -15.753 -0.951 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.074 -15.437 0.370 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.481 -15.654 -1.294 1.00 0.00 H new ATOM 284 N PRO A 19 49.162 -10.602 2.634 1.00 0.00 N ATOM 285 CA PRO A 19 48.416 -10.157 3.835 1.00 0.00 C ATOM 286 C PRO A 19 48.225 -11.317 4.817 1.00 0.00 C ATOM 287 O PRO A 19 48.250 -12.473 4.439 1.00 0.00 O ATOM 288 CB PRO A 19 47.073 -9.706 3.247 1.00 0.00 C ATOM 289 CG PRO A 19 47.107 -9.916 1.722 1.00 0.00 C ATOM 290 CD PRO A 19 48.396 -10.650 1.360 1.00 0.00 C ATOM 0 HA PRO A 19 48.924 -9.376 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.256 -10.277 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.892 -8.657 3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.240 -10.493 1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.061 -8.957 1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.204 -11.674 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.929 -10.157 0.547 1.00 0.00 H new ATOM 298 N MET A 20 48.027 -11.010 6.074 1.00 0.00 N ATOM 299 CA MET A 20 47.824 -12.084 7.093 1.00 0.00 C ATOM 300 C MET A 20 46.354 -12.125 7.507 1.00 0.00 C ATOM 301 O MET A 20 45.734 -13.171 7.542 1.00 0.00 O ATOM 302 CB MET A 20 48.702 -11.686 8.282 1.00 0.00 C ATOM 303 CG MET A 20 50.161 -11.577 7.835 1.00 0.00 C ATOM 304 SD MET A 20 51.254 -12.019 9.209 1.00 0.00 S ATOM 305 CE MET A 20 51.985 -13.492 8.452 1.00 0.00 C ATOM 0 H MET A 20 47.997 -10.058 6.440 1.00 0.00 H new ATOM 0 HA MET A 20 48.086 -13.072 6.713 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.365 -10.734 8.692 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.610 -12.426 9.077 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.342 -12.237 6.987 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.374 -10.562 7.500 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.705 -13.935 9.140 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.200 -14.216 8.232 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.491 -13.213 7.528 1.00 0.00 H new ATOM 315 N ASN A 21 45.796 -10.984 7.816 1.00 0.00 N ATOM 316 CA ASN A 21 44.363 -10.928 8.228 1.00 0.00 C ATOM 317 C ASN A 21 43.608 -9.915 7.365 1.00 0.00 C ATOM 318 O ASN A 21 42.607 -10.231 6.750 1.00 0.00 O ATOM 319 CB ASN A 21 44.386 -10.477 9.689 1.00 0.00 C ATOM 320 CG ASN A 21 43.178 -11.061 10.423 1.00 0.00 C ATOM 321 OD1 ASN A 21 42.658 -12.091 10.040 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.705 -10.443 11.470 1.00 0.00 N ATOM 0 H ASN A 21 46.275 -10.083 7.800 1.00 0.00 H new ATOM 0 HA ASN A 21 43.860 -11.888 8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.309 -10.805 10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.367 -9.389 9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.900 -10.824 11.967 1.00 0.00 H new ATOM 0 HD22 ASN A 21 43.141 -9.579 11.792 1.00 0.00 H new ATOM 329 N ALA A 22 44.085 -8.699 7.320 1.00 0.00 N ATOM 330 CA ALA A 22 43.411 -7.646 6.499 1.00 0.00 C ATOM 331 C ALA A 22 44.283 -6.390 6.424 1.00 0.00 C ATOM 332 O ALA A 22 44.385 -5.754 5.392 1.00 0.00 O ATOM 333 CB ALA A 22 42.101 -7.344 7.229 1.00 0.00 C ATOM 0 H ALA A 22 44.918 -8.387 7.819 1.00 0.00 H new ATOM 0 HA ALA A 22 43.239 -7.975 5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.549 -6.578 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.500 -8.251 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.319 -6.988 8.236 1.00 0.00 H new ATOM 339 N ASN A 23 44.909 -6.033 7.513 1.00 0.00 N ATOM 340 CA ASN A 23 45.781 -4.817 7.524 1.00 0.00 C ATOM 341 C ASN A 23 46.905 -4.936 6.509 1.00 0.00 C ATOM 342 O ASN A 23 47.049 -4.121 5.620 1.00 0.00 O ATOM 343 CB ASN A 23 46.393 -4.764 8.916 1.00 0.00 C ATOM 344 CG ASN A 23 45.522 -3.907 9.835 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.982 -2.924 10.384 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.275 -4.238 10.029 1.00 0.00 N ATOM 0 H ASN A 23 44.855 -6.532 8.401 1.00 0.00 H new ATOM 0 HA ASN A 23 45.200 -3.929 7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.483 -5.772 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.400 -4.350 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.686 -3.672 10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 23 43.889 -5.062 9.569 1.00 0.00 H new ATOM 353 N ASP A 24 47.732 -5.927 6.677 1.00 0.00 N ATOM 354 CA ASP A 24 48.904 -6.106 5.771 1.00 0.00 C ATOM 355 C ASP A 24 48.495 -6.028 4.290 1.00 0.00 C ATOM 356 O ASP A 24 47.460 -6.531 3.896 1.00 0.00 O ATOM 357 CB ASP A 24 49.455 -7.493 6.106 1.00 0.00 C ATOM 358 CG ASP A 24 49.918 -7.520 7.564 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.713 -6.670 7.929 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.470 -8.392 8.291 1.00 0.00 O ATOM 0 H ASP A 24 47.647 -6.630 7.411 1.00 0.00 H new ATOM 0 HA ASP A 24 49.643 -5.318 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.688 -8.250 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.287 -7.735 5.445 1.00 0.00 H new ATOM 365 N LEU A 25 49.306 -5.400 3.473 1.00 0.00 N ATOM 366 CA LEU A 25 48.978 -5.283 2.021 1.00 0.00 C ATOM 367 C LEU A 25 49.805 -6.295 1.221 1.00 0.00 C ATOM 368 O LEU A 25 50.997 -6.431 1.419 1.00 0.00 O ATOM 369 CB LEU A 25 49.352 -3.842 1.634 1.00 0.00 C ATOM 370 CG LEU A 25 48.449 -3.370 0.484 1.00 0.00 C ATOM 371 CD1 LEU A 25 48.266 -1.851 0.550 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.079 -3.739 -0.863 1.00 0.00 C ATOM 0 H LEU A 25 50.184 -4.962 3.753 1.00 0.00 H new ATOM 0 HA LEU A 25 47.928 -5.490 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.239 -3.182 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.398 -3.795 1.332 1.00 0.00 H new ATOM 0 HG LEU A 25 47.480 -3.859 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.625 -1.526 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.806 -1.581 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 25 49.237 -1.364 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 25 48.432 -3.401 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 25 50.053 -3.259 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 25 49.200 -4.821 -0.924 1.00 0.00 H new ATOM 384 N GLN A 26 49.174 -7.014 0.327 1.00 0.00 N ATOM 385 CA GLN A 26 49.913 -8.033 -0.485 1.00 0.00 C ATOM 386 C GLN A 26 51.022 -7.371 -1.300 1.00 0.00 C ATOM 387 O GLN A 26 50.806 -6.928 -2.414 1.00 0.00 O ATOM 388 CB GLN A 26 48.865 -8.648 -1.415 1.00 0.00 C ATOM 389 CG GLN A 26 49.375 -9.989 -1.944 1.00 0.00 C ATOM 390 CD GLN A 26 48.849 -10.213 -3.362 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.656 -10.194 -3.590 1.00 0.00 O ATOM 392 NE2 GLN A 26 49.695 -10.424 -4.334 1.00 0.00 N ATOM 0 H GLN A 26 48.177 -6.940 0.123 1.00 0.00 H new ATOM 0 HA GLN A 26 50.389 -8.783 0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.927 -8.790 -0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.659 -7.972 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 26 50.465 -10.001 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.047 -10.798 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 26 50.697 -10.440 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 26 49.354 -10.573 -5.284 1.00 0.00 H new ATOM 401 N LEU A 27 52.210 -7.311 -0.755 1.00 0.00 N ATOM 402 CA LEU A 27 53.343 -6.694 -1.496 1.00 0.00 C ATOM 403 C LEU A 27 53.898 -7.693 -2.519 1.00 0.00 C ATOM 404 O LEU A 27 53.327 -8.742 -2.746 1.00 0.00 O ATOM 405 CB LEU A 27 54.388 -6.360 -0.425 1.00 0.00 C ATOM 406 CG LEU A 27 54.152 -4.942 0.108 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.443 -5.010 1.471 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.498 -4.224 0.266 1.00 0.00 C ATOM 0 H LEU A 27 52.441 -7.664 0.173 1.00 0.00 H new ATOM 0 HA LEU A 27 53.047 -5.804 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.328 -7.080 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.391 -6.438 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 27 53.526 -4.393 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.277 -4.000 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.485 -5.517 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 27 54.064 -5.562 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.330 -3.216 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.125 -4.776 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.997 -4.170 -0.701 1.00 0.00 H new ATOM 420 N ARG A 28 54.999 -7.367 -3.147 1.00 0.00 N ATOM 421 CA ARG A 28 55.607 -8.278 -4.176 1.00 0.00 C ATOM 422 C ARG A 28 56.878 -7.631 -4.736 1.00 0.00 C ATOM 423 O ARG A 28 56.840 -6.531 -5.248 1.00 0.00 O ATOM 424 CB ARG A 28 54.550 -8.425 -5.285 1.00 0.00 C ATOM 425 CG ARG A 28 54.092 -9.883 -5.375 1.00 0.00 C ATOM 426 CD ARG A 28 53.207 -10.066 -6.611 1.00 0.00 C ATOM 427 NE ARG A 28 54.146 -10.022 -7.765 1.00 0.00 N ATOM 428 CZ ARG A 28 54.714 -11.118 -8.188 1.00 0.00 C ATOM 429 NH1 ARG A 28 55.852 -11.502 -7.677 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.143 -11.830 -9.120 1.00 0.00 N ATOM 0 H ARG A 28 55.512 -6.499 -2.992 1.00 0.00 H new ATOM 0 HA ARG A 28 55.879 -9.248 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.698 -7.779 -5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.965 -8.105 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.957 -10.544 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 28 53.540 -10.158 -4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.669 -11.014 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.458 -9.277 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 28 54.346 -9.134 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 28 56.297 -10.945 -6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 28 56.296 -12.359 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 28 53.253 -11.530 -9.518 1.00 0.00 H new ATOM 0 HH22 ARG A 28 54.587 -12.687 -9.451 1.00 0.00 H new ATOM 444 N LYS A 29 58.000 -8.303 -4.640 1.00 0.00 N ATOM 445 CA LYS A 29 59.287 -7.723 -5.158 1.00 0.00 C ATOM 446 C LYS A 29 59.133 -7.195 -6.590 1.00 0.00 C ATOM 447 O LYS A 29 58.656 -7.883 -7.472 1.00 0.00 O ATOM 448 CB LYS A 29 60.289 -8.878 -5.120 1.00 0.00 C ATOM 449 CG LYS A 29 61.695 -8.342 -5.397 1.00 0.00 C ATOM 450 CD LYS A 29 62.730 -9.407 -5.025 1.00 0.00 C ATOM 451 CE LYS A 29 62.794 -10.465 -6.128 1.00 0.00 C ATOM 452 NZ LYS A 29 63.777 -11.471 -5.639 1.00 0.00 N ATOM 0 H LYS A 29 58.084 -9.231 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 29 59.608 -6.873 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.260 -9.367 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.022 -9.630 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.793 -8.076 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.869 -7.433 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.709 -8.947 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.464 -9.872 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.817 -10.918 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.113 -10.029 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.876 -12.230 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.699 -11.013 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.444 -11.873 -4.740 1.00 0.00 H new ATOM 466 N GLY A 30 59.534 -5.968 -6.814 1.00 0.00 N ATOM 467 CA GLY A 30 59.418 -5.366 -8.174 1.00 0.00 C ATOM 468 C GLY A 30 58.131 -4.543 -8.266 1.00 0.00 C ATOM 469 O GLY A 30 58.036 -3.618 -9.051 1.00 0.00 O ATOM 0 H GLY A 30 59.939 -5.355 -6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.281 -4.732 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.414 -6.151 -8.930 1.00 0.00 H new ATOM 473 N ASP A 31 57.142 -4.870 -7.469 1.00 0.00 N ATOM 474 CA ASP A 31 55.864 -4.107 -7.508 1.00 0.00 C ATOM 475 C ASP A 31 56.002 -2.817 -6.696 1.00 0.00 C ATOM 476 O ASP A 31 56.679 -2.784 -5.687 1.00 0.00 O ATOM 477 CB ASP A 31 54.823 -5.032 -6.876 1.00 0.00 C ATOM 478 CG ASP A 31 53.493 -4.886 -7.615 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.499 -4.981 -8.831 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.488 -4.681 -6.953 1.00 0.00 O ATOM 0 H ASP A 31 57.169 -5.634 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 31 55.584 -3.820 -8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.165 -6.066 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.694 -4.785 -5.822 1.00 0.00 H new ATOM 485 N GLU A 32 55.370 -1.757 -7.126 1.00 0.00 N ATOM 486 CA GLU A 32 55.470 -0.468 -6.371 1.00 0.00 C ATOM 487 C GLU A 32 54.079 -0.081 -5.866 1.00 0.00 C ATOM 488 O GLU A 32 53.080 -0.562 -6.370 1.00 0.00 O ATOM 489 CB GLU A 32 56.014 0.591 -7.354 1.00 0.00 C ATOM 490 CG GLU A 32 57.038 -0.015 -8.330 1.00 0.00 C ATOM 491 CD GLU A 32 56.306 -0.586 -9.546 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.455 0.105 -10.079 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.610 -1.706 -9.924 1.00 0.00 O ATOM 0 H GLU A 32 54.790 -1.725 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 32 56.133 -0.551 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.187 1.025 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.480 1.402 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.751 0.747 -8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.609 -0.800 -7.834 1.00 0.00 H new ATOM 500 N TYR A 33 54.003 0.739 -4.846 1.00 0.00 N ATOM 501 CA TYR A 33 52.669 1.100 -4.283 1.00 0.00 C ATOM 502 C TYR A 33 52.504 2.611 -4.135 1.00 0.00 C ATOM 503 O TYR A 33 53.317 3.397 -4.583 1.00 0.00 O ATOM 504 CB TYR A 33 52.642 0.461 -2.889 1.00 0.00 C ATOM 505 CG TYR A 33 53.176 -0.951 -2.937 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.327 -2.010 -3.272 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.525 -1.191 -2.664 1.00 0.00 C ATOM 508 CE1 TYR A 33 52.829 -3.311 -3.332 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.029 -2.490 -2.728 1.00 0.00 C ATOM 510 CZ TYR A 33 54.181 -3.551 -3.061 1.00 0.00 C ATOM 511 OH TYR A 33 54.677 -4.830 -3.134 1.00 0.00 O ATOM 0 H TYR A 33 54.803 1.170 -4.383 1.00 0.00 H new ATOM 0 HA TYR A 33 51.869 0.755 -4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.239 1.057 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.622 0.456 -2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.285 -1.822 -3.484 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.178 -0.371 -2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.175 -4.132 -3.587 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.072 -2.676 -2.521 1.00 0.00 H new ATOM 0 HH TYR A 33 54.180 -5.335 -3.811 1.00 0.00 H new ATOM 521 N PHE A 34 51.448 3.001 -3.474 1.00 0.00 N ATOM 522 CA PHE A 34 51.177 4.447 -3.234 1.00 0.00 C ATOM 523 C PHE A 34 51.186 4.716 -1.733 1.00 0.00 C ATOM 524 O PHE A 34 50.459 4.095 -0.985 1.00 0.00 O ATOM 525 CB PHE A 34 49.788 4.696 -3.804 1.00 0.00 C ATOM 526 CG PHE A 34 49.905 5.121 -5.247 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.442 4.240 -6.193 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.483 6.397 -5.639 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.556 4.635 -7.532 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.596 6.791 -6.977 1.00 0.00 C ATOM 531 CZ PHE A 34 50.133 5.910 -7.924 1.00 0.00 C ATOM 0 H PHE A 34 50.750 2.368 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 34 51.922 5.095 -3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.185 3.791 -3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.279 5.468 -3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.768 3.256 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.070 7.077 -4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.970 3.955 -8.262 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.269 7.775 -7.279 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.221 6.215 -8.956 1.00 0.00 H new ATOM 541 N ILE A 35 52.013 5.622 -1.285 1.00 0.00 N ATOM 542 CA ILE A 35 52.090 5.903 0.182 1.00 0.00 C ATOM 543 C ILE A 35 51.168 7.047 0.597 1.00 0.00 C ATOM 544 O ILE A 35 51.198 8.129 0.042 1.00 0.00 O ATOM 545 CB ILE A 35 53.555 6.266 0.453 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.485 5.137 -0.025 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.763 6.482 1.955 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.106 3.812 0.647 1.00 0.00 C ATOM 0 H ILE A 35 52.638 6.179 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 35 51.765 5.038 0.759 1.00 0.00 H new ATOM 0 HB ILE A 35 53.792 7.180 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.417 5.035 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.520 5.387 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.805 6.740 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.120 7.293 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.512 5.567 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.773 3.023 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.198 3.913 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.078 3.556 0.392 1.00 0.00 H new ATOM 560 N LEU A 36 50.364 6.802 1.596 1.00 0.00 N ATOM 561 CA LEU A 36 49.436 7.848 2.109 1.00 0.00 C ATOM 562 C LEU A 36 49.823 8.226 3.545 1.00 0.00 C ATOM 563 O LEU A 36 49.548 9.319 4.002 1.00 0.00 O ATOM 564 CB LEU A 36 48.053 7.196 2.080 1.00 0.00 C ATOM 565 CG LEU A 36 47.595 7.039 0.629 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.978 5.647 0.122 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.077 7.208 0.554 1.00 0.00 C ATOM 0 H LEU A 36 50.311 5.908 2.085 1.00 0.00 H new ATOM 0 HA LEU A 36 49.466 8.762 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.088 6.223 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.340 7.806 2.634 1.00 0.00 H new ATOM 0 HG LEU A 36 48.077 7.797 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.652 5.534 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.060 5.525 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.495 4.889 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.749 7.096 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.596 6.450 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.803 8.199 0.917 1.00 0.00 H new ATOM 579 N GLU A 37 50.463 7.327 4.259 1.00 0.00 N ATOM 580 CA GLU A 37 50.873 7.623 5.664 1.00 0.00 C ATOM 581 C GLU A 37 52.399 7.733 5.760 1.00 0.00 C ATOM 582 O GLU A 37 53.085 7.837 4.764 1.00 0.00 O ATOM 583 CB GLU A 37 50.368 6.435 6.482 1.00 0.00 C ATOM 584 CG GLU A 37 49.888 6.924 7.850 1.00 0.00 C ATOM 585 CD GLU A 37 48.707 6.069 8.313 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.591 6.374 7.926 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.939 5.122 9.048 1.00 0.00 O ATOM 0 H GLU A 37 50.718 6.398 3.924 1.00 0.00 H new ATOM 0 HA GLU A 37 50.465 8.568 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.553 5.937 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 37 51.164 5.700 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.700 6.864 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.591 7.971 7.790 1.00 0.00 H new ATOM 653 N PRO A 42 57.677 0.503 11.201 1.00 0.00 N ATOM 654 CA PRO A 42 58.118 -0.191 9.961 1.00 0.00 C ATOM 655 C PRO A 42 56.990 -0.326 8.933 1.00 0.00 C ATOM 656 O PRO A 42 57.192 -0.085 7.763 1.00 0.00 O ATOM 657 CB PRO A 42 58.550 -1.569 10.478 1.00 0.00 C ATOM 658 CG PRO A 42 58.338 -1.619 12.001 1.00 0.00 C ATOM 659 CD PRO A 42 57.844 -0.251 12.477 1.00 0.00 C ATOM 0 HA PRO A 42 58.904 0.353 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 42 57.970 -2.353 9.991 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.597 -1.751 10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.612 -2.391 12.256 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.270 -1.879 12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 42 56.906 -0.329 13.027 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.563 0.230 13.140 1.00 0.00 H new ATOM 667 N TRP A 43 55.818 -0.727 9.349 1.00 0.00 N ATOM 668 CA TRP A 43 54.696 -0.900 8.371 1.00 0.00 C ATOM 669 C TRP A 43 54.101 0.458 8.004 1.00 0.00 C ATOM 670 O TRP A 43 54.273 1.427 8.715 1.00 0.00 O ATOM 671 CB TRP A 43 53.664 -1.762 9.101 1.00 0.00 C ATOM 672 CG TRP A 43 54.269 -3.076 9.455 1.00 0.00 C ATOM 673 CD1 TRP A 43 54.950 -3.307 10.584 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.265 -4.328 8.710 1.00 0.00 C ATOM 675 NE1 TRP A 43 55.372 -4.623 10.599 1.00 0.00 N ATOM 676 CE2 TRP A 43 54.973 -5.295 9.461 1.00 0.00 C ATOM 677 CE3 TRP A 43 53.722 -4.716 7.472 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.139 -6.601 9.001 1.00 0.00 C ATOM 679 CZ3 TRP A 43 53.887 -6.030 7.006 1.00 0.00 C ATOM 680 CH2 TRP A 43 54.594 -6.970 7.770 1.00 0.00 C ATOM 0 H TRP A 43 55.586 -0.942 10.319 1.00 0.00 H new ATOM 0 HA TRP A 43 55.026 -1.362 7.440 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.323 -1.253 10.002 1.00 0.00 H new ATOM 0 HB3 TRP A 43 52.789 -1.912 8.469 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.140 -2.580 11.360 1.00 0.00 H new ATOM 0 HE1 TRP A 43 55.911 -5.045 11.356 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.175 -4.000 6.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 55.685 -7.321 9.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 53.467 -6.319 6.054 1.00 0.00 H new ATOM 0 HH2 TRP A 43 54.717 -7.979 7.406 1.00 0.00 H new ATOM 691 N TRP A 44 53.424 0.544 6.887 1.00 0.00 N ATOM 692 CA TRP A 44 52.835 1.853 6.472 1.00 0.00 C ATOM 693 C TRP A 44 51.328 1.722 6.240 1.00 0.00 C ATOM 694 O TRP A 44 50.704 0.774 6.659 1.00 0.00 O ATOM 695 CB TRP A 44 53.537 2.176 5.146 1.00 0.00 C ATOM 696 CG TRP A 44 54.780 2.995 5.336 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.209 3.595 6.479 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.754 3.323 4.317 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.399 4.255 6.212 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.773 4.116 4.888 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.844 2.999 2.957 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.850 4.574 4.126 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.916 3.454 2.187 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.921 4.243 2.767 1.00 0.00 C ATOM 0 H TRP A 44 53.254 -0.232 6.247 1.00 0.00 H new ATOM 0 HA TRP A 44 52.972 2.624 7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.793 1.246 4.639 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.847 2.714 4.496 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.707 3.563 7.435 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.932 4.778 6.906 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.077 2.392 2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.621 5.178 4.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.972 3.197 1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.747 4.594 2.167 1.00 0.00 H new ATOM 715 N ARG A 45 50.760 2.669 5.547 1.00 0.00 N ATOM 716 CA ARG A 45 49.313 2.627 5.213 1.00 0.00 C ATOM 717 C ARG A 45 49.206 3.074 3.756 1.00 0.00 C ATOM 718 O ARG A 45 48.751 4.159 3.447 1.00 0.00 O ATOM 719 CB ARG A 45 48.636 3.624 6.163 1.00 0.00 C ATOM 720 CG ARG A 45 47.461 2.943 6.870 1.00 0.00 C ATOM 721 CD ARG A 45 46.169 3.219 6.098 1.00 0.00 C ATOM 722 NE ARG A 45 45.804 4.619 6.450 1.00 0.00 N ATOM 723 CZ ARG A 45 44.548 4.965 6.533 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.737 4.721 5.541 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.104 5.556 7.608 1.00 0.00 N ATOM 0 H ARG A 45 51.252 3.489 5.191 1.00 0.00 H new ATOM 0 HA ARG A 45 48.846 1.648 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.355 3.987 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.284 4.492 5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.635 1.869 6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.373 3.314 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.319 3.108 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.381 2.522 6.384 1.00 0.00 H new ATOM 0 HE ARG A 45 46.535 5.308 6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.084 4.260 4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.756 4.991 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.738 5.748 8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.123 5.826 7.673 1.00 0.00 H new ATOM 739 N ALA A 46 49.687 2.247 2.866 1.00 0.00 N ATOM 740 CA ALA A 46 49.701 2.598 1.419 1.00 0.00 C ATOM 741 C ALA A 46 48.787 1.664 0.636 1.00 0.00 C ATOM 742 O ALA A 46 48.176 0.777 1.198 1.00 0.00 O ATOM 743 CB ALA A 46 51.161 2.374 1.013 1.00 0.00 C ATOM 0 H ALA A 46 50.076 1.330 3.086 1.00 0.00 H new ATOM 0 HA ALA A 46 49.351 3.611 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.284 2.606 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.807 3.023 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.432 1.333 1.191 1.00 0.00 H new ATOM 749 N ARG A 47 48.699 1.845 -0.660 1.00 0.00 N ATOM 750 CA ARG A 47 47.839 0.944 -1.476 1.00 0.00 C ATOM 751 C ARG A 47 48.604 0.450 -2.695 1.00 0.00 C ATOM 752 O ARG A 47 49.586 1.040 -3.102 1.00 0.00 O ATOM 753 CB ARG A 47 46.648 1.773 -1.932 1.00 0.00 C ATOM 754 CG ARG A 47 45.798 2.179 -0.730 1.00 0.00 C ATOM 755 CD ARG A 47 45.294 3.613 -0.913 1.00 0.00 C ATOM 756 NE ARG A 47 45.328 4.209 0.452 1.00 0.00 N ATOM 757 CZ ARG A 47 44.280 4.833 0.919 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.602 5.639 0.147 1.00 0.00 N ATOM 759 NH2 ARG A 47 43.911 4.653 2.157 1.00 0.00 N ATOM 0 H ARG A 47 49.184 2.575 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 47 47.527 0.076 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.995 2.662 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.045 1.200 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.954 1.498 -0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.386 2.104 0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.928 4.170 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.285 3.627 -1.325 1.00 0.00 H new ATOM 0 HE ARG A 47 46.170 4.130 1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.891 5.781 -0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.784 6.126 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.441 4.025 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.092 5.141 2.521 1.00 0.00 H new ATOM 773 N ASP A 48 48.154 -0.622 -3.283 1.00 0.00 N ATOM 774 CA ASP A 48 48.847 -1.161 -4.485 1.00 0.00 C ATOM 775 C ASP A 48 48.139 -0.702 -5.765 1.00 0.00 C ATOM 776 O ASP A 48 47.392 0.258 -5.761 1.00 0.00 O ATOM 777 CB ASP A 48 48.772 -2.685 -4.328 1.00 0.00 C ATOM 778 CG ASP A 48 47.309 -3.159 -4.304 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.427 -2.326 -4.158 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.098 -4.354 -4.434 1.00 0.00 O ATOM 0 H ASP A 48 47.334 -1.149 -2.982 1.00 0.00 H new ATOM 0 HA ASP A 48 49.876 -0.811 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.302 -3.167 -5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.272 -2.986 -3.407 1.00 0.00 H new ATOM 785 N LYS A 49 48.374 -1.383 -6.856 1.00 0.00 N ATOM 786 CA LYS A 49 47.724 -0.995 -8.147 1.00 0.00 C ATOM 787 C LYS A 49 46.253 -1.437 -8.176 1.00 0.00 C ATOM 788 O LYS A 49 45.485 -0.986 -9.006 1.00 0.00 O ATOM 789 CB LYS A 49 48.521 -1.724 -9.230 1.00 0.00 C ATOM 790 CG LYS A 49 49.619 -0.802 -9.765 1.00 0.00 C ATOM 791 CD LYS A 49 49.874 -1.113 -11.240 1.00 0.00 C ATOM 792 CE LYS A 49 48.680 -0.646 -12.075 1.00 0.00 C ATOM 793 NZ LYS A 49 48.509 -1.694 -13.120 1.00 0.00 N ATOM 0 H LYS A 49 48.990 -2.194 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 49 47.726 0.086 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.962 -2.633 -8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.859 -2.027 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.322 0.240 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.535 -0.939 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.783 -0.614 -11.576 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.029 -2.183 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.784 -0.549 -11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.868 0.330 -12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.707 -1.445 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.376 -1.759 -13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 48.325 -2.611 -12.665 1.00 0.00 H new ATOM 807 N ASN A 50 45.855 -2.318 -7.287 1.00 0.00 N ATOM 808 CA ASN A 50 44.441 -2.787 -7.274 1.00 0.00 C ATOM 809 C ASN A 50 43.559 -1.878 -6.403 1.00 0.00 C ATOM 810 O ASN A 50 42.454 -2.242 -6.048 1.00 0.00 O ATOM 811 CB ASN A 50 44.501 -4.196 -6.683 1.00 0.00 C ATOM 812 CG ASN A 50 44.851 -5.198 -7.783 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.003 -5.533 -7.972 1.00 0.00 O ATOM 814 ND2 ASN A 50 43.898 -5.695 -8.524 1.00 0.00 N ATOM 0 H ASN A 50 46.453 -2.730 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 50 44.003 -2.771 -8.272 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.247 -4.237 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.542 -4.454 -6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 50 44.121 -6.364 -9.261 1.00 0.00 H new ATOM 0 HD22 ASN A 50 42.930 -5.414 -8.366 1.00 0.00 H new ATOM 821 N GLY A 51 44.031 -0.702 -6.059 1.00 0.00 N ATOM 822 CA GLY A 51 43.213 0.221 -5.215 1.00 0.00 C ATOM 823 C GLY A 51 42.932 -0.431 -3.860 1.00 0.00 C ATOM 824 O GLY A 51 41.919 -0.175 -3.238 1.00 0.00 O ATOM 0 H GLY A 51 44.948 -0.344 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.742 1.164 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.275 0.454 -5.719 1.00 0.00 H new ATOM 828 N GLN A 52 43.824 -1.272 -3.400 1.00 0.00 N ATOM 829 CA GLN A 52 43.617 -1.946 -2.084 1.00 0.00 C ATOM 830 C GLN A 52 44.498 -1.297 -1.013 1.00 0.00 C ATOM 831 O GLN A 52 45.683 -1.105 -1.209 1.00 0.00 O ATOM 832 CB GLN A 52 44.034 -3.400 -2.314 1.00 0.00 C ATOM 833 CG GLN A 52 42.826 -4.207 -2.797 1.00 0.00 C ATOM 834 CD GLN A 52 42.941 -5.646 -2.293 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.518 -5.895 -1.254 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.412 -6.614 -2.993 1.00 0.00 N ATOM 0 H GLN A 52 44.688 -1.521 -3.881 1.00 0.00 H new ATOM 0 HA GLN A 52 42.587 -1.868 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.835 -3.447 -3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.425 -3.828 -1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.904 -3.755 -2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.778 -4.194 -3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.927 -6.406 -3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 52 42.484 -7.578 -2.667 1.00 0.00 H new ATOM 845 N GLU A 53 43.922 -0.961 0.115 1.00 0.00 N ATOM 846 CA GLU A 53 44.713 -0.323 1.213 1.00 0.00 C ATOM 847 C GLU A 53 45.270 -1.395 2.147 1.00 0.00 C ATOM 848 O GLU A 53 44.616 -2.384 2.422 1.00 0.00 O ATOM 849 CB GLU A 53 43.716 0.566 1.963 1.00 0.00 C ATOM 850 CG GLU A 53 43.119 1.604 1.011 1.00 0.00 C ATOM 851 CD GLU A 53 41.871 2.221 1.645 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.019 2.939 2.619 1.00 0.00 O ATOM 853 OE2 GLU A 53 40.788 1.966 1.143 1.00 0.00 O ATOM 0 H GLU A 53 42.933 -1.102 0.323 1.00 0.00 H new ATOM 0 HA GLU A 53 45.560 0.247 0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 53 42.922 -0.046 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.215 1.066 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.853 2.381 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 53 42.863 1.136 0.060 1.00 0.00 H new ATOM 860 N GLY A 54 46.471 -1.209 2.642 1.00 0.00 N ATOM 861 CA GLY A 54 47.058 -2.225 3.561 1.00 0.00 C ATOM 862 C GLY A 54 48.306 -1.645 4.216 1.00 0.00 C ATOM 863 O GLY A 54 48.471 -0.439 4.279 1.00 0.00 O ATOM 0 H GLY A 54 47.064 -0.402 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.331 -2.508 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.310 -3.130 3.009 1.00 0.00 H new ATOM 867 N TYR A 55 49.184 -2.483 4.712 1.00 0.00 N ATOM 868 CA TYR A 55 50.412 -1.957 5.368 1.00 0.00 C ATOM 869 C TYR A 55 51.681 -2.372 4.620 1.00 0.00 C ATOM 870 O TYR A 55 51.868 -3.519 4.263 1.00 0.00 O ATOM 871 CB TYR A 55 50.397 -2.533 6.784 1.00 0.00 C ATOM 872 CG TYR A 55 49.496 -1.694 7.659 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.122 -1.641 7.403 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.037 -0.970 8.729 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.287 -0.864 8.214 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.202 -0.193 9.541 1.00 0.00 C ATOM 877 CZ TYR A 55 47.827 -0.139 9.283 1.00 0.00 C ATOM 878 OH TYR A 55 47.004 0.627 10.083 1.00 0.00 O ATOM 0 H TYR A 55 49.101 -3.499 4.689 1.00 0.00 H new ATOM 0 HA TYR A 55 50.418 -0.867 5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.045 -3.565 6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.407 -2.548 7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.705 -2.200 6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.098 -1.011 8.928 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.226 -0.824 8.015 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.619 0.365 10.367 1.00 0.00 H new ATOM 0 HH TYR A 55 47.538 1.064 10.779 1.00 0.00 H new ATOM 888 N ILE A 56 52.545 -1.419 4.376 1.00 0.00 N ATOM 889 CA ILE A 56 53.813 -1.695 3.637 1.00 0.00 C ATOM 890 C ILE A 56 55.049 -1.484 4.545 1.00 0.00 C ATOM 891 O ILE A 56 55.300 -0.369 4.955 1.00 0.00 O ATOM 892 CB ILE A 56 53.815 -0.637 2.517 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.557 -0.766 1.636 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.063 -0.788 1.654 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.301 -2.227 1.275 1.00 0.00 C ATOM 0 H ILE A 56 52.423 -0.448 4.662 1.00 0.00 H new ATOM 0 HA ILE A 56 53.863 -2.722 3.276 1.00 0.00 H new ATOM 0 HB ILE A 56 53.814 0.349 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.694 -0.360 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.681 -0.178 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.054 -0.035 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.951 -0.655 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.078 -1.782 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.409 -2.297 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.157 -2.622 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.154 -2.807 2.186 1.00 0.00 H new ATOM 907 N PRO A 57 55.818 -2.533 4.814 1.00 0.00 N ATOM 908 CA PRO A 57 57.033 -2.360 5.647 1.00 0.00 C ATOM 909 C PRO A 57 58.037 -1.468 4.897 1.00 0.00 C ATOM 910 O PRO A 57 58.578 -1.857 3.879 1.00 0.00 O ATOM 911 CB PRO A 57 57.563 -3.792 5.785 1.00 0.00 C ATOM 912 CG PRO A 57 56.625 -4.743 5.018 1.00 0.00 C ATOM 913 CD PRO A 57 55.531 -3.913 4.334 1.00 0.00 C ATOM 0 HA PRO A 57 56.853 -1.886 6.612 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.576 -3.860 5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.613 -4.077 6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.187 -5.311 4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.179 -5.465 5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.589 -3.984 3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.533 -4.243 4.622 1.00 0.00 H new ATOM 921 N SER A 58 58.277 -0.271 5.381 1.00 0.00 N ATOM 922 CA SER A 58 59.235 0.661 4.691 1.00 0.00 C ATOM 923 C SER A 58 60.564 -0.039 4.380 1.00 0.00 C ATOM 924 O SER A 58 61.258 0.315 3.446 1.00 0.00 O ATOM 925 CB SER A 58 59.458 1.806 5.680 1.00 0.00 C ATOM 926 OG SER A 58 59.846 1.270 6.939 1.00 0.00 O ATOM 0 H SER A 58 57.850 0.104 6.228 1.00 0.00 H new ATOM 0 HA SER A 58 58.838 1.007 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.228 2.480 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.545 2.392 5.787 1.00 0.00 H new ATOM 0 HG SER A 58 59.991 2.001 7.575 1.00 0.00 H new ATOM 932 N ASN A 59 60.912 -1.030 5.156 1.00 0.00 N ATOM 933 CA ASN A 59 62.189 -1.768 4.913 1.00 0.00 C ATOM 934 C ASN A 59 62.063 -2.613 3.645 1.00 0.00 C ATOM 935 O ASN A 59 62.998 -2.775 2.885 1.00 0.00 O ATOM 936 CB ASN A 59 62.366 -2.653 6.156 1.00 0.00 C ATOM 937 CG ASN A 59 61.296 -3.754 6.204 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.307 -3.648 7.050 1.00 0.00 O flip ATOM 939 ND2 ASN A 59 61.364 -4.716 5.467 1.00 0.00 N flip ATOM 0 H ASN A 59 60.366 -1.363 5.951 1.00 0.00 H new ATOM 0 HA ASN A 59 63.043 -1.108 4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.358 -3.105 6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.303 -2.040 7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 59 62.137 -4.799 4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.649 -5.442 5.508 1.00 0.00 H new ATOM 946 N TYR A 60 60.901 -3.160 3.442 1.00 0.00 N ATOM 947 CA TYR A 60 60.660 -4.024 2.247 1.00 0.00 C ATOM 948 C TYR A 60 60.291 -3.197 1.004 1.00 0.00 C ATOM 949 O TYR A 60 59.838 -3.742 0.017 1.00 0.00 O ATOM 950 CB TYR A 60 59.489 -4.925 2.646 1.00 0.00 C ATOM 951 CG TYR A 60 60.015 -6.201 3.262 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.928 -6.995 2.557 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.589 -6.589 4.538 1.00 0.00 C ATOM 954 CE1 TYR A 60 61.414 -8.178 3.129 1.00 0.00 C ATOM 955 CE2 TYR A 60 60.074 -7.772 5.109 1.00 0.00 C ATOM 956 CZ TYR A 60 60.987 -8.565 4.405 1.00 0.00 C ATOM 957 OH TYR A 60 61.467 -9.731 4.968 1.00 0.00 O ATOM 0 H TYR A 60 60.096 -3.047 4.058 1.00 0.00 H new ATOM 0 HA TYR A 60 61.556 -4.584 1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.844 -4.406 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.881 -5.156 1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 60 61.257 -6.696 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.886 -5.976 5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 60 62.118 -8.791 2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.744 -8.072 6.092 1.00 0.00 H new ATOM 0 HH TYR A 60 61.072 -9.852 5.856 1.00 0.00 H new ATOM 967 N VAL A 61 60.483 -1.898 1.030 1.00 0.00 N ATOM 968 CA VAL A 61 60.144 -1.069 -0.174 1.00 0.00 C ATOM 969 C VAL A 61 61.160 0.060 -0.363 1.00 0.00 C ATOM 970 O VAL A 61 61.959 0.346 0.510 1.00 0.00 O ATOM 971 CB VAL A 61 58.752 -0.487 0.085 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.731 -1.623 0.169 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.750 0.300 1.401 1.00 0.00 C ATOM 0 H VAL A 61 60.856 -1.379 1.825 1.00 0.00 H new ATOM 0 HA VAL A 61 60.165 -1.674 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 61 58.488 0.183 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.740 -1.209 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.724 -2.176 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 61 58.001 -2.295 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.756 0.711 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 61 59.020 -0.364 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.473 1.113 1.340 1.00 0.00 H new ATOM 983 N THR A 62 61.122 0.704 -1.500 1.00 0.00 N ATOM 984 CA THR A 62 62.070 1.826 -1.773 1.00 0.00 C ATOM 985 C THR A 62 61.338 2.939 -2.557 1.00 0.00 C ATOM 986 O THR A 62 60.242 3.315 -2.199 1.00 0.00 O ATOM 987 CB THR A 62 63.213 1.190 -2.579 1.00 0.00 C ATOM 988 OG1 THR A 62 64.187 2.180 -2.872 1.00 0.00 O ATOM 989 CG2 THR A 62 62.672 0.604 -3.886 1.00 0.00 C ATOM 0 H THR A 62 60.470 0.500 -2.257 1.00 0.00 H new ATOM 0 HA THR A 62 62.457 2.299 -0.870 1.00 0.00 H new ATOM 0 HB THR A 62 63.664 0.390 -1.991 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.919 1.777 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.490 0.156 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.926 -0.158 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.215 1.397 -4.478 1.00 0.00 H new ATOM 997 N GLU A 63 61.923 3.477 -3.607 1.00 0.00 N ATOM 998 CA GLU A 63 61.234 4.559 -4.377 1.00 0.00 C ATOM 999 C GLU A 63 60.392 3.961 -5.508 1.00 0.00 C ATOM 1000 O GLU A 63 60.814 3.049 -6.191 1.00 0.00 O ATOM 1001 CB GLU A 63 62.361 5.424 -4.943 1.00 0.00 C ATOM 1002 CG GLU A 63 61.821 6.818 -5.270 1.00 0.00 C ATOM 1003 CD GLU A 63 62.988 7.786 -5.462 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.828 7.511 -6.303 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.024 8.787 -4.764 1.00 0.00 O ATOM 0 H GLU A 63 62.843 3.213 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 63 60.552 5.136 -3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.174 5.498 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.772 4.962 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.213 6.781 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.174 7.167 -4.465 1.00 0.00 H new ATOM 1012 N ALA A 64 59.200 4.469 -5.706 1.00 0.00 N ATOM 1013 CA ALA A 64 58.306 3.934 -6.786 1.00 0.00 C ATOM 1014 C ALA A 64 59.037 3.893 -8.134 1.00 0.00 C ATOM 1015 O ALA A 64 58.819 3.008 -8.939 1.00 0.00 O ATOM 1016 CB ALA A 64 57.128 4.908 -6.849 1.00 0.00 C ATOM 0 H ALA A 64 58.804 5.236 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 64 57.987 2.913 -6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.428 4.583 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.622 4.930 -5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.494 5.906 -7.089 1.00 0.00 H new