USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 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 21 ASN : amide:sc= -0.182 X(o=-0.45,f=-0.45) USER MOD Set 1.2: A 23 ASN : amide:sc= -0.267 X(o=-0.45,f=-0.22) USER MOD Set 2.1: A 17 TYR OH : rot -156:sc= -0.676 USER MOD Set 2.2: A 20 MET CE :methyl -170:sc= -0.0463 (180deg=-0.366) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 0.0557 (180deg=0.011) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 60:sc= -3.1! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=-0.000181 X(o=-0.00018,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.34) 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 : amide:sc= -2.39 K(o=-2.4,f=-13!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.367 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.405 7.172 -3.453 1.00 0.00 N ATOM 131 CA LYS A 10 54.916 6.154 -4.424 1.00 0.00 C ATOM 132 C LYS A 10 56.159 5.454 -3.856 1.00 0.00 C ATOM 133 O LYS A 10 57.090 6.091 -3.403 1.00 0.00 O ATOM 134 CB LYS A 10 55.268 6.941 -5.695 1.00 0.00 C ATOM 135 CG LYS A 10 54.638 6.264 -6.917 1.00 0.00 C ATOM 136 CD LYS A 10 55.309 6.780 -8.193 1.00 0.00 C ATOM 137 CE LYS A 10 54.483 7.927 -8.779 1.00 0.00 C ATOM 138 NZ LYS A 10 53.424 7.262 -9.590 1.00 0.00 N ATOM 0 HA LYS A 10 54.180 5.376 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.908 7.966 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 10 56.350 6.992 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 10 54.753 5.182 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 10 53.568 6.470 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 10 56.320 7.122 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.398 5.974 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.049 8.544 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 10 55.099 8.583 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.003 7.952 -10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.843 6.481 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 52.687 6.889 -8.959 1.00 0.00 H new ATOM 152 N VAL A 11 56.174 4.146 -3.889 1.00 0.00 N ATOM 153 CA VAL A 11 57.348 3.374 -3.365 1.00 0.00 C ATOM 154 C VAL A 11 57.468 2.060 -4.131 1.00 0.00 C ATOM 155 O VAL A 11 56.514 1.589 -4.713 1.00 0.00 O ATOM 156 CB VAL A 11 57.079 3.102 -1.876 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.282 4.390 -1.077 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.653 2.581 -1.670 1.00 0.00 C ATOM 0 H VAL A 11 55.417 3.572 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 11 58.279 3.928 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 11 57.777 2.341 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.091 4.197 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.307 4.738 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.592 5.154 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.483 2.395 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 11 54.939 3.323 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.521 1.653 -2.227 1.00 0.00 H new ATOM 168 N VAL A 12 58.632 1.469 -4.140 1.00 0.00 N ATOM 169 CA VAL A 12 58.823 0.187 -4.882 1.00 0.00 C ATOM 170 C VAL A 12 58.716 -0.992 -3.890 1.00 0.00 C ATOM 171 O VAL A 12 58.536 -0.798 -2.705 1.00 0.00 O ATOM 172 CB VAL A 12 60.237 0.347 -5.518 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.123 -0.902 -5.373 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.087 0.655 -7.005 1.00 0.00 C ATOM 0 H VAL A 12 59.463 1.819 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 12 58.077 -0.021 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 12 60.726 1.159 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.091 -0.717 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.266 -1.126 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.641 -1.749 -5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.074 0.768 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.557 -0.162 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.523 1.580 -7.130 1.00 0.00 H new ATOM 184 N ALA A 13 58.839 -2.204 -4.372 1.00 0.00 N ATOM 185 CA ALA A 13 58.763 -3.393 -3.474 1.00 0.00 C ATOM 186 C ALA A 13 59.959 -4.315 -3.737 1.00 0.00 C ATOM 187 O ALA A 13 60.250 -4.654 -4.869 1.00 0.00 O ATOM 188 CB ALA A 13 57.458 -4.093 -3.849 1.00 0.00 C ATOM 0 H ALA A 13 58.990 -2.420 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 13 58.787 -3.121 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.330 -4.981 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.621 -3.414 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.490 -4.385 -4.899 1.00 0.00 H new ATOM 194 N LEU A 14 60.657 -4.711 -2.703 1.00 0.00 N ATOM 195 CA LEU A 14 61.842 -5.603 -2.892 1.00 0.00 C ATOM 196 C LEU A 14 61.425 -7.074 -2.853 1.00 0.00 C ATOM 197 O LEU A 14 61.429 -7.757 -3.861 1.00 0.00 O ATOM 198 CB LEU A 14 62.774 -5.278 -1.725 1.00 0.00 C ATOM 199 CG LEU A 14 63.315 -3.856 -1.883 1.00 0.00 C ATOM 200 CD1 LEU A 14 64.062 -3.449 -0.613 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.273 -3.807 -3.075 1.00 0.00 C ATOM 0 H LEU A 14 60.458 -4.455 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 14 62.322 -5.442 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.238 -5.371 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.598 -5.991 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 14 62.486 -3.168 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.447 -2.436 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.381 -3.485 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.891 -4.135 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.660 -2.794 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.101 -4.495 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.741 -4.097 -3.981 1.00 0.00 H new ATOM 213 N TYR A 15 61.078 -7.568 -1.694 1.00 0.00 N ATOM 214 CA TYR A 15 60.671 -9.001 -1.573 1.00 0.00 C ATOM 215 C TYR A 15 59.146 -9.133 -1.592 1.00 0.00 C ATOM 216 O TYR A 15 58.427 -8.150 -1.603 1.00 0.00 O ATOM 217 CB TYR A 15 61.229 -9.461 -0.226 1.00 0.00 C ATOM 218 CG TYR A 15 62.736 -9.365 -0.243 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.363 -8.144 0.033 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.506 -10.498 -0.534 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.760 -8.056 0.018 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.903 -10.409 -0.549 1.00 0.00 C ATOM 223 CZ TYR A 15 65.530 -9.189 -0.273 1.00 0.00 C ATOM 224 OH TYR A 15 66.908 -9.101 -0.288 1.00 0.00 O ATOM 0 H TYR A 15 61.059 -7.039 -0.822 1.00 0.00 H new ATOM 0 HA TYR A 15 61.048 -9.602 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.824 -8.844 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.922 -10.487 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.769 -7.270 0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.022 -11.440 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.244 -7.114 0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.497 -11.282 -0.774 1.00 0.00 H new ATOM 0 HH TYR A 15 67.289 -9.977 -0.506 1.00 0.00 H new ATOM 234 N ASP A 16 58.651 -10.345 -1.600 1.00 0.00 N ATOM 235 CA ASP A 16 57.174 -10.561 -1.623 1.00 0.00 C ATOM 236 C ASP A 16 56.600 -10.487 -0.204 1.00 0.00 C ATOM 237 O ASP A 16 57.297 -10.707 0.768 1.00 0.00 O ATOM 238 CB ASP A 16 56.990 -11.964 -2.203 1.00 0.00 C ATOM 239 CG ASP A 16 57.325 -11.948 -3.695 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.035 -10.951 -4.337 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.865 -12.932 -4.172 1.00 0.00 O ATOM 0 H ASP A 16 59.210 -11.198 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 16 56.657 -9.803 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.635 -12.672 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.964 -12.299 -2.054 1.00 0.00 H new ATOM 246 N TYR A 17 55.332 -10.175 -0.084 1.00 0.00 N ATOM 247 CA TYR A 17 54.702 -10.078 1.266 1.00 0.00 C ATOM 248 C TYR A 17 53.174 -10.019 1.121 1.00 0.00 C ATOM 249 O TYR A 17 52.565 -8.977 1.266 1.00 0.00 O ATOM 250 CB TYR A 17 55.270 -8.778 1.858 1.00 0.00 C ATOM 251 CG TYR A 17 54.596 -8.440 3.172 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.435 -9.420 4.159 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.137 -7.137 3.399 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.814 -9.095 5.371 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.518 -6.812 4.610 1.00 0.00 C ATOM 256 CZ TYR A 17 53.356 -7.792 5.597 1.00 0.00 C ATOM 257 OH TYR A 17 52.752 -7.472 6.793 1.00 0.00 O ATOM 0 H TYR A 17 54.706 -9.983 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 17 54.914 -10.934 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.344 -8.883 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.128 -7.960 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.789 -10.425 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.261 -6.381 2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.688 -9.851 6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.165 -5.806 4.784 1.00 0.00 H new ATOM 0 HH TYR A 17 52.169 -6.694 6.667 1.00 0.00 H new ATOM 267 N MET A 18 52.561 -11.138 0.828 1.00 0.00 N ATOM 268 CA MET A 18 51.073 -11.173 0.663 1.00 0.00 C ATOM 269 C MET A 18 50.369 -10.742 1.961 1.00 0.00 C ATOM 270 O MET A 18 50.998 -10.656 2.997 1.00 0.00 O ATOM 271 CB MET A 18 50.739 -12.630 0.336 1.00 0.00 C ATOM 272 CG MET A 18 50.743 -12.828 -1.180 1.00 0.00 C ATOM 273 SD MET A 18 51.176 -14.543 -1.565 1.00 0.00 S ATOM 274 CE MET A 18 49.563 -15.272 -1.190 1.00 0.00 C ATOM 0 H MET A 18 53.029 -12.035 0.695 1.00 0.00 H new ATOM 0 HA MET A 18 50.738 -10.489 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.467 -13.294 0.802 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.763 -12.891 0.745 1.00 0.00 H new ATOM 0 HG2 MET A 18 49.762 -12.588 -1.591 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.458 -12.148 -1.644 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.601 -16.348 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 18 49.310 -15.080 -0.147 1.00 0.00 H new ATOM 0 HE3 MET A 18 48.804 -14.828 -1.835 1.00 0.00 H new ATOM 284 N PRO A 19 49.076 -10.474 1.869 1.00 0.00 N ATOM 285 CA PRO A 19 48.306 -10.044 3.061 1.00 0.00 C ATOM 286 C PRO A 19 48.228 -11.173 4.095 1.00 0.00 C ATOM 287 O PRO A 19 48.627 -12.293 3.836 1.00 0.00 O ATOM 288 CB PRO A 19 46.925 -9.733 2.474 1.00 0.00 C ATOM 289 CG PRO A 19 46.959 -9.996 0.958 1.00 0.00 C ATOM 290 CD PRO A 19 48.320 -10.581 0.592 1.00 0.00 C ATOM 0 HA PRO A 19 48.750 -9.199 3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.165 -10.354 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.656 -8.695 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.163 -10.686 0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.786 -9.070 0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.239 -11.614 0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.799 -10.020 -0.211 1.00 0.00 H new ATOM 298 N MET A 20 47.712 -10.881 5.264 1.00 0.00 N ATOM 299 CA MET A 20 47.602 -11.928 6.324 1.00 0.00 C ATOM 300 C MET A 20 46.318 -11.730 7.136 1.00 0.00 C ATOM 301 O MET A 20 45.412 -12.540 7.087 1.00 0.00 O ATOM 302 CB MET A 20 48.830 -11.727 7.214 1.00 0.00 C ATOM 303 CG MET A 20 50.100 -11.947 6.390 1.00 0.00 C ATOM 304 SD MET A 20 51.430 -12.521 7.475 1.00 0.00 S ATOM 305 CE MET A 20 51.861 -10.910 8.178 1.00 0.00 C ATOM 0 H MET A 20 47.362 -9.960 5.529 1.00 0.00 H new ATOM 0 HA MET A 20 47.562 -12.933 5.904 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.827 -10.721 7.635 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.803 -12.423 8.052 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.915 -12.680 5.605 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.392 -11.019 5.898 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.785 -10.998 8.750 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.999 -10.187 7.374 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.059 -10.573 8.835 1.00 0.00 H new ATOM 315 N ASN A 21 46.239 -10.656 7.882 1.00 0.00 N ATOM 316 CA ASN A 21 45.019 -10.396 8.704 1.00 0.00 C ATOM 317 C ASN A 21 44.120 -9.365 8.016 1.00 0.00 C ATOM 318 O ASN A 21 43.672 -8.413 8.625 1.00 0.00 O ATOM 319 CB ASN A 21 45.547 -9.845 10.030 1.00 0.00 C ATOM 320 CG ASN A 21 44.424 -9.846 11.069 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.946 -8.803 11.465 1.00 0.00 O ATOM 322 ND2 ASN A 21 43.980 -10.983 11.529 1.00 0.00 N ATOM 0 H ASN A 21 46.969 -9.947 7.957 1.00 0.00 H new ATOM 0 HA ASN A 21 44.418 -11.295 8.843 1.00 0.00 H new ATOM 0 HB2 ASN A 21 46.382 -10.452 10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 21 45.926 -8.833 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 21 43.231 -10.996 12.221 1.00 0.00 H new ATOM 0 HD22 ASN A 21 44.382 -11.860 11.196 1.00 0.00 H new ATOM 329 N ALA A 22 43.855 -9.550 6.744 1.00 0.00 N ATOM 330 CA ALA A 22 42.983 -8.588 5.990 1.00 0.00 C ATOM 331 C ALA A 22 43.485 -7.147 6.145 1.00 0.00 C ATOM 332 O ALA A 22 42.736 -6.202 5.987 1.00 0.00 O ATOM 333 CB ALA A 22 41.586 -8.736 6.600 1.00 0.00 C ATOM 0 H ALA A 22 44.207 -10.331 6.191 1.00 0.00 H new ATOM 0 HA ALA A 22 42.987 -8.804 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.895 -8.060 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.243 -9.763 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.624 -8.490 7.661 1.00 0.00 H new ATOM 339 N ASN A 23 44.747 -6.978 6.442 1.00 0.00 N ATOM 340 CA ASN A 23 45.310 -5.604 6.597 1.00 0.00 C ATOM 341 C ASN A 23 46.532 -5.440 5.724 1.00 0.00 C ATOM 342 O ASN A 23 46.644 -4.515 4.945 1.00 0.00 O ATOM 343 CB ASN A 23 45.748 -5.494 8.048 1.00 0.00 C ATOM 344 CG ASN A 23 44.614 -4.917 8.897 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.278 -5.459 9.930 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.003 -3.832 8.503 1.00 0.00 N ATOM 0 H ASN A 23 45.415 -7.736 6.584 1.00 0.00 H new ATOM 0 HA ASN A 23 44.575 -4.849 6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.032 -6.476 8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.629 -4.857 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.245 -3.442 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.284 -3.375 7.635 1.00 0.00 H new ATOM 353 N ASP A 24 47.473 -6.323 5.893 1.00 0.00 N ATOM 354 CA ASP A 24 48.745 -6.239 5.127 1.00 0.00 C ATOM 355 C ASP A 24 48.483 -6.040 3.627 1.00 0.00 C ATOM 356 O ASP A 24 47.683 -6.734 3.029 1.00 0.00 O ATOM 357 CB ASP A 24 49.457 -7.566 5.389 1.00 0.00 C ATOM 358 CG ASP A 24 50.024 -7.564 6.809 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.480 -6.520 7.243 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.992 -8.610 7.439 1.00 0.00 O ATOM 0 H ASP A 24 47.414 -7.111 6.539 1.00 0.00 H new ATOM 0 HA ASP A 24 49.347 -5.385 5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.761 -8.396 5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.259 -7.711 4.665 1.00 0.00 H new ATOM 365 N LEU A 25 49.153 -5.093 3.027 1.00 0.00 N ATOM 366 CA LEU A 25 48.955 -4.832 1.572 1.00 0.00 C ATOM 367 C LEU A 25 49.700 -5.897 0.763 1.00 0.00 C ATOM 368 O LEU A 25 50.873 -6.133 0.971 1.00 0.00 O ATOM 369 CB LEU A 25 49.544 -3.433 1.344 1.00 0.00 C ATOM 370 CG LEU A 25 49.363 -3.020 -0.121 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.869 -2.885 -0.435 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.049 -1.671 -0.360 1.00 0.00 C ATOM 0 H LEU A 25 49.833 -4.486 3.485 1.00 0.00 H new ATOM 0 HA LEU A 25 47.911 -4.874 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.053 -2.712 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.603 -3.428 1.604 1.00 0.00 H new ATOM 0 HG LEU A 25 49.807 -3.778 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.741 -2.591 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.373 -3.841 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.428 -2.127 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.921 -1.377 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.603 -0.916 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.112 -1.759 -0.136 1.00 0.00 H new ATOM 384 N GLN A 26 49.020 -6.557 -0.141 1.00 0.00 N ATOM 385 CA GLN A 26 49.679 -7.628 -0.955 1.00 0.00 C ATOM 386 C GLN A 26 50.852 -7.060 -1.754 1.00 0.00 C ATOM 387 O GLN A 26 50.704 -6.663 -2.894 1.00 0.00 O ATOM 388 CB GLN A 26 48.593 -8.147 -1.898 1.00 0.00 C ATOM 389 CG GLN A 26 49.124 -9.351 -2.676 1.00 0.00 C ATOM 390 CD GLN A 26 47.952 -10.212 -3.150 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.908 -10.232 -2.530 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.080 -10.929 -4.233 1.00 0.00 N ATOM 0 H GLN A 26 48.034 -6.401 -0.352 1.00 0.00 H new ATOM 0 HA GLN A 26 50.084 -8.419 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.708 -8.430 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.290 -7.360 -2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.711 -9.015 -3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.789 -9.940 -2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.956 -10.913 -4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 26 47.304 -11.505 -4.558 1.00 0.00 H new ATOM 401 N LEU A 27 52.017 -7.026 -1.160 1.00 0.00 N ATOM 402 CA LEU A 27 53.211 -6.495 -1.873 1.00 0.00 C ATOM 403 C LEU A 27 53.812 -7.575 -2.782 1.00 0.00 C ATOM 404 O LEU A 27 53.219 -8.613 -3.009 1.00 0.00 O ATOM 405 CB LEU A 27 54.191 -6.097 -0.762 1.00 0.00 C ATOM 406 CG LEU A 27 53.947 -4.637 -0.364 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.120 -4.581 0.927 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.290 -3.934 -0.145 1.00 0.00 C ATOM 0 H LEU A 27 52.191 -7.345 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 27 52.970 -5.650 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.061 -6.747 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.218 -6.225 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 27 53.400 -4.134 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.950 -3.541 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.162 -5.075 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.660 -5.087 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.115 -2.896 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.840 -4.439 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.872 -3.966 -1.066 1.00 0.00 H new ATOM 420 N ARG A 28 54.978 -7.323 -3.309 1.00 0.00 N ATOM 421 CA ARG A 28 55.643 -8.300 -4.218 1.00 0.00 C ATOM 422 C ARG A 28 57.081 -7.844 -4.473 1.00 0.00 C ATOM 423 O ARG A 28 57.601 -7.005 -3.760 1.00 0.00 O ATOM 424 CB ARG A 28 54.826 -8.257 -5.514 1.00 0.00 C ATOM 425 CG ARG A 28 53.905 -9.477 -5.582 1.00 0.00 C ATOM 426 CD ARG A 28 53.724 -9.901 -7.042 1.00 0.00 C ATOM 427 NE ARG A 28 53.488 -11.371 -6.988 1.00 0.00 N ATOM 428 CZ ARG A 28 54.494 -12.196 -7.081 1.00 0.00 C ATOM 429 NH1 ARG A 28 55.379 -12.043 -8.028 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.615 -13.176 -6.228 1.00 0.00 N ATOM 0 H ARG A 28 55.507 -6.467 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 28 55.683 -9.308 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.236 -7.341 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.493 -8.244 -6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.329 -10.298 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.938 -9.241 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.883 -9.383 -7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.608 -9.664 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 28 52.540 -11.732 -6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 28 55.284 -11.278 -8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 28 56.165 -12.688 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 28 53.923 -13.297 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 28 55.402 -13.821 -6.301 1.00 0.00 H new ATOM 444 N LYS A 29 57.727 -8.376 -5.480 1.00 0.00 N ATOM 445 CA LYS A 29 59.123 -7.958 -5.771 1.00 0.00 C ATOM 446 C LYS A 29 59.193 -7.227 -7.120 1.00 0.00 C ATOM 447 O LYS A 29 58.743 -7.725 -8.135 1.00 0.00 O ATOM 448 CB LYS A 29 59.949 -9.255 -5.769 1.00 0.00 C ATOM 449 CG LYS A 29 59.661 -10.072 -7.031 1.00 0.00 C ATOM 450 CD LYS A 29 59.755 -11.566 -6.713 1.00 0.00 C ATOM 451 CE LYS A 29 61.221 -12.006 -6.758 1.00 0.00 C ATOM 452 NZ LYS A 29 61.245 -13.326 -6.067 1.00 0.00 N ATOM 0 H LYS A 29 57.344 -9.081 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 29 59.509 -7.255 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 29 61.011 -9.017 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.710 -9.845 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 29 58.668 -9.833 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.373 -9.812 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 29 59.334 -11.766 -5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.170 -12.139 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.577 -12.091 -7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.866 -11.285 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 62.217 -13.695 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.907 -13.213 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 60.627 -13.993 -6.572 1.00 0.00 H new ATOM 466 N GLY A 30 59.753 -6.051 -7.124 1.00 0.00 N ATOM 467 CA GLY A 30 59.866 -5.261 -8.387 1.00 0.00 C ATOM 468 C GLY A 30 58.621 -4.385 -8.586 1.00 0.00 C ATOM 469 O GLY A 30 58.656 -3.421 -9.329 1.00 0.00 O ATOM 0 H GLY A 30 60.142 -5.596 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.757 -4.634 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.983 -5.935 -9.235 1.00 0.00 H new ATOM 473 N ASP A 31 57.525 -4.702 -7.934 1.00 0.00 N ATOM 474 CA ASP A 31 56.294 -3.879 -8.095 1.00 0.00 C ATOM 475 C ASP A 31 56.386 -2.636 -7.212 1.00 0.00 C ATOM 476 O ASP A 31 57.217 -2.562 -6.331 1.00 0.00 O ATOM 477 CB ASP A 31 55.144 -4.780 -7.640 1.00 0.00 C ATOM 478 CG ASP A 31 54.551 -5.501 -8.851 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.919 -4.841 -9.659 1.00 0.00 O ATOM 480 OD2 ASP A 31 54.740 -6.703 -8.951 1.00 0.00 O ATOM 0 H ASP A 31 57.436 -5.495 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 31 56.153 -3.537 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.504 -5.506 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.376 -4.185 -7.145 1.00 0.00 H new ATOM 485 N GLU A 32 55.544 -1.661 -7.439 1.00 0.00 N ATOM 486 CA GLU A 32 55.591 -0.420 -6.602 1.00 0.00 C ATOM 487 C GLU A 32 54.172 -0.076 -6.139 1.00 0.00 C ATOM 488 O GLU A 32 53.203 -0.586 -6.673 1.00 0.00 O ATOM 489 CB GLU A 32 56.163 0.690 -7.503 1.00 0.00 C ATOM 490 CG GLU A 32 57.357 0.177 -8.322 1.00 0.00 C ATOM 491 CD GLU A 32 56.854 -0.419 -9.639 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.886 0.101 -10.170 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.445 -1.383 -10.095 1.00 0.00 O ATOM 0 H GLU A 32 54.827 -1.668 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 32 56.210 -0.543 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.386 1.053 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.475 1.536 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.052 0.993 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.904 -0.576 -7.755 1.00 0.00 H new ATOM 500 N TYR A 33 54.038 0.742 -5.124 1.00 0.00 N ATOM 501 CA TYR A 33 52.679 1.069 -4.599 1.00 0.00 C ATOM 502 C TYR A 33 52.497 2.577 -4.428 1.00 0.00 C ATOM 503 O TYR A 33 53.292 3.373 -4.890 1.00 0.00 O ATOM 504 CB TYR A 33 52.615 0.398 -3.221 1.00 0.00 C ATOM 505 CG TYR A 33 53.196 -0.996 -3.275 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.495 -2.025 -3.911 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.448 -1.244 -2.706 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.049 -3.305 -3.977 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.000 -2.523 -2.769 1.00 0.00 C ATOM 510 CZ TYR A 33 54.301 -3.553 -3.406 1.00 0.00 C ATOM 511 OH TYR A 33 54.846 -4.809 -3.473 1.00 0.00 O ATOM 0 H TYR A 33 54.811 1.196 -4.638 1.00 0.00 H new ATOM 0 HA TYR A 33 51.902 0.727 -5.282 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.163 0.997 -2.494 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.580 0.353 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.528 -1.830 -4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.988 -0.446 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.511 -4.102 -4.468 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.966 -2.718 -2.327 1.00 0.00 H new ATOM 0 HH TYR A 33 54.957 -5.068 -4.412 1.00 0.00 H new ATOM 521 N PHE A 34 51.451 2.961 -3.741 1.00 0.00 N ATOM 522 CA PHE A 34 51.189 4.409 -3.495 1.00 0.00 C ATOM 523 C PHE A 34 51.143 4.686 -1.994 1.00 0.00 C ATOM 524 O PHE A 34 50.326 4.143 -1.279 1.00 0.00 O ATOM 525 CB PHE A 34 49.829 4.689 -4.115 1.00 0.00 C ATOM 526 CG PHE A 34 50.012 5.144 -5.543 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.039 4.205 -6.581 1.00 0.00 C ATOM 528 CD2 PHE A 34 50.162 6.507 -5.827 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.214 4.630 -7.903 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.338 6.931 -7.149 1.00 0.00 C ATOM 531 CZ PHE A 34 50.364 5.992 -8.188 1.00 0.00 C ATOM 0 H PHE A 34 50.762 2.326 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 34 51.969 5.039 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.211 3.791 -4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.307 5.455 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 34 49.925 3.154 -6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 34 50.142 7.231 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.233 3.906 -8.704 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.454 7.982 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.500 6.319 -9.208 1.00 0.00 H new ATOM 541 N ILE A 35 52.018 5.530 -1.523 1.00 0.00 N ATOM 542 CA ILE A 35 52.057 5.856 -0.065 1.00 0.00 C ATOM 543 C ILE A 35 50.973 6.871 0.301 1.00 0.00 C ATOM 544 O ILE A 35 50.396 7.529 -0.544 1.00 0.00 O ATOM 545 CB ILE A 35 53.457 6.448 0.171 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.524 5.374 -0.085 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.591 6.965 1.612 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.320 4.183 0.859 1.00 0.00 C ATOM 0 H ILE A 35 52.715 6.014 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 35 51.871 4.977 0.552 1.00 0.00 H new ATOM 0 HB ILE A 35 53.600 7.281 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.471 5.039 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.518 5.797 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.588 7.380 1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.846 7.740 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.434 6.142 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.084 3.430 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.397 4.521 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.334 3.750 0.691 1.00 0.00 H new ATOM 560 N LEU A 36 50.722 7.002 1.572 1.00 0.00 N ATOM 561 CA LEU A 36 49.705 7.972 2.058 1.00 0.00 C ATOM 562 C LEU A 36 50.241 8.672 3.308 1.00 0.00 C ATOM 563 O LEU A 36 50.168 9.879 3.437 1.00 0.00 O ATOM 564 CB LEU A 36 48.474 7.131 2.395 1.00 0.00 C ATOM 565 CG LEU A 36 47.551 7.062 1.177 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.877 5.812 0.359 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.095 6.999 1.644 1.00 0.00 C ATOM 0 H LEU A 36 51.187 6.469 2.307 1.00 0.00 H new ATOM 0 HA LEU A 36 49.468 8.742 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.777 6.127 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.944 7.567 3.242 1.00 0.00 H new ATOM 0 HG LEU A 36 47.698 7.948 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.219 5.763 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.914 5.855 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.731 4.925 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.437 6.950 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.949 6.113 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.861 7.890 2.227 1.00 0.00 H new ATOM 579 N GLU A 37 50.792 7.912 4.223 1.00 0.00 N ATOM 580 CA GLU A 37 51.356 8.507 5.477 1.00 0.00 C ATOM 581 C GLU A 37 52.006 7.410 6.322 1.00 0.00 C ATOM 582 O GLU A 37 51.379 6.415 6.639 1.00 0.00 O ATOM 583 CB GLU A 37 50.160 9.105 6.230 1.00 0.00 C ATOM 584 CG GLU A 37 50.647 10.216 7.161 1.00 0.00 C ATOM 585 CD GLU A 37 49.637 10.414 8.292 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.451 10.315 8.024 1.00 0.00 O ATOM 587 OE2 GLU A 37 50.065 10.663 9.407 1.00 0.00 O ATOM 0 H GLU A 37 50.876 6.898 4.155 1.00 0.00 H new ATOM 0 HA GLU A 37 52.115 9.259 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.433 9.502 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.654 8.330 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.623 9.959 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.771 11.144 6.603 1.00 0.00 H new ATOM 653 N PRO A 42 58.349 1.615 10.236 1.00 0.00 N ATOM 654 CA PRO A 42 58.535 0.973 8.901 1.00 0.00 C ATOM 655 C PRO A 42 57.215 0.573 8.218 1.00 0.00 C ATOM 656 O PRO A 42 57.066 0.755 7.023 1.00 0.00 O ATOM 657 CB PRO A 42 59.389 -0.257 9.234 1.00 0.00 C ATOM 658 CG PRO A 42 59.679 -0.263 10.745 1.00 0.00 C ATOM 659 CD PRO A 42 59.182 1.059 11.342 1.00 0.00 C ATOM 0 HA PRO A 42 58.993 1.653 8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.866 -1.169 8.946 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.322 -0.233 8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.180 -1.106 11.223 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.747 -0.382 10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.600 0.902 12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 42 60.006 1.723 11.603 1.00 0.00 H new ATOM 667 N TRP A 43 56.271 0.023 8.937 1.00 0.00 N ATOM 668 CA TRP A 43 54.982 -0.392 8.288 1.00 0.00 C ATOM 669 C TRP A 43 54.105 0.842 8.039 1.00 0.00 C ATOM 670 O TRP A 43 53.830 1.606 8.943 1.00 0.00 O ATOM 671 CB TRP A 43 54.299 -1.328 9.289 1.00 0.00 C ATOM 672 CG TRP A 43 55.206 -2.453 9.667 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.009 -2.440 10.741 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.410 -3.741 9.015 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.705 -3.633 10.803 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.370 -4.470 9.759 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.869 -4.342 7.865 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.775 -5.749 9.378 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.274 -5.629 7.480 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.224 -6.332 8.234 1.00 0.00 C ATOM 0 H TRP A 43 56.332 -0.158 9.939 1.00 0.00 H new ATOM 0 HA TRP A 43 55.148 -0.880 7.328 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.014 -0.769 10.180 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.381 -1.725 8.855 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.098 -1.627 11.446 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.382 -3.865 11.530 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.138 -3.810 7.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.509 -6.284 9.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.850 -6.082 6.596 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.529 -7.323 7.931 1.00 0.00 H new ATOM 691 N TRP A 44 53.678 1.058 6.815 1.00 0.00 N ATOM 692 CA TRP A 44 52.843 2.262 6.522 1.00 0.00 C ATOM 693 C TRP A 44 51.420 1.852 6.148 1.00 0.00 C ATOM 694 O TRP A 44 50.977 0.769 6.453 1.00 0.00 O ATOM 695 CB TRP A 44 53.516 2.912 5.311 1.00 0.00 C ATOM 696 CG TRP A 44 54.964 3.183 5.558 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.537 3.484 6.749 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.025 3.180 4.577 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.897 3.666 6.547 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.243 3.488 5.217 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.033 2.940 3.196 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.441 3.556 4.502 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.225 3.005 2.471 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.433 3.313 3.120 1.00 0.00 C ATOM 0 H TRP A 44 53.871 0.456 6.014 1.00 0.00 H new ATOM 0 HA TRP A 44 52.774 2.927 7.383 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.411 2.260 4.444 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.008 3.846 5.071 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.022 3.568 7.695 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.560 3.902 7.285 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.110 2.703 2.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.365 3.793 5.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.218 2.818 1.407 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.353 3.363 2.556 1.00 0.00 H new ATOM 715 N ARG A 45 50.718 2.714 5.461 1.00 0.00 N ATOM 716 CA ARG A 45 49.339 2.395 5.009 1.00 0.00 C ATOM 717 C ARG A 45 49.234 2.833 3.547 1.00 0.00 C ATOM 718 O ARG A 45 48.566 3.793 3.217 1.00 0.00 O ATOM 719 CB ARG A 45 48.414 3.224 5.902 1.00 0.00 C ATOM 720 CG ARG A 45 46.956 2.883 5.582 1.00 0.00 C ATOM 721 CD ARG A 45 46.105 3.053 6.842 1.00 0.00 C ATOM 722 NE ARG A 45 46.030 1.692 7.441 1.00 0.00 N ATOM 723 CZ ARG A 45 44.871 1.118 7.614 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.004 1.094 6.641 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.582 0.567 8.761 1.00 0.00 N ATOM 0 H ARG A 45 51.051 3.640 5.191 1.00 0.00 H new ATOM 0 HA ARG A 45 49.081 1.338 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.625 3.019 6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.594 4.287 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.585 3.532 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.883 1.859 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.559 3.764 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.113 3.433 6.600 1.00 0.00 H new ATOM 0 HE ARG A 45 46.885 1.208 7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.232 1.524 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.098 0.645 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.262 0.585 9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.676 0.118 8.897 1.00 0.00 H new ATOM 739 N ALA A 46 49.930 2.145 2.678 1.00 0.00 N ATOM 740 CA ALA A 46 49.933 2.517 1.232 1.00 0.00 C ATOM 741 C ALA A 46 49.012 1.590 0.444 1.00 0.00 C ATOM 742 O ALA A 46 48.621 0.541 0.924 1.00 0.00 O ATOM 743 CB ALA A 46 51.391 2.330 0.796 1.00 0.00 C ATOM 0 H ALA A 46 50.502 1.333 2.912 1.00 0.00 H new ATOM 0 HA ALA A 46 49.575 3.532 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.490 2.582 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.034 2.983 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.687 1.292 0.951 1.00 0.00 H new ATOM 749 N ARG A 47 48.662 1.964 -0.764 1.00 0.00 N ATOM 750 CA ARG A 47 47.767 1.093 -1.575 1.00 0.00 C ATOM 751 C ARG A 47 48.522 0.508 -2.761 1.00 0.00 C ATOM 752 O ARG A 47 49.510 1.057 -3.211 1.00 0.00 O ATOM 753 CB ARG A 47 46.647 1.997 -2.071 1.00 0.00 C ATOM 754 CG ARG A 47 45.695 2.311 -0.920 1.00 0.00 C ATOM 755 CD ARG A 47 44.815 3.505 -1.299 1.00 0.00 C ATOM 756 NE ARG A 47 43.637 2.912 -1.990 1.00 0.00 N ATOM 757 CZ ARG A 47 43.146 3.485 -3.055 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.904 3.677 -4.100 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.899 3.867 -3.073 1.00 0.00 N ATOM 0 H ARG A 47 48.957 2.829 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 47 47.387 0.258 -0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.063 2.920 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.105 1.510 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.074 1.443 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.261 2.535 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.512 4.068 -0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.348 4.197 -1.951 1.00 0.00 H new ATOM 0 HE ARG A 47 43.213 2.057 -1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.879 3.379 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.521 4.125 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.308 3.718 -2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.515 4.315 -3.905 1.00 0.00 H new ATOM 773 N ASP A 48 48.058 -0.600 -3.273 1.00 0.00 N ATOM 774 CA ASP A 48 48.739 -1.231 -4.435 1.00 0.00 C ATOM 775 C ASP A 48 48.040 -0.839 -5.745 1.00 0.00 C ATOM 776 O ASP A 48 47.378 0.179 -5.823 1.00 0.00 O ATOM 777 CB ASP A 48 48.636 -2.740 -4.175 1.00 0.00 C ATOM 778 CG ASP A 48 47.168 -3.192 -4.167 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.305 -2.359 -3.945 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.935 -4.370 -4.385 1.00 0.00 O ATOM 0 H ASP A 48 47.233 -1.095 -2.934 1.00 0.00 H new ATOM 0 HA ASP A 48 49.775 -0.910 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.185 -3.284 -4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.101 -2.982 -3.219 1.00 0.00 H new ATOM 785 N LYS A 49 48.189 -1.640 -6.770 1.00 0.00 N ATOM 786 CA LYS A 49 47.544 -1.324 -8.078 1.00 0.00 C ATOM 787 C LYS A 49 46.036 -1.612 -8.025 1.00 0.00 C ATOM 788 O LYS A 49 45.278 -1.115 -8.838 1.00 0.00 O ATOM 789 CB LYS A 49 48.240 -2.249 -9.080 1.00 0.00 C ATOM 790 CG LYS A 49 47.680 -2.010 -10.478 1.00 0.00 C ATOM 791 CD LYS A 49 48.215 -0.687 -11.028 1.00 0.00 C ATOM 792 CE LYS A 49 47.159 -0.044 -11.931 1.00 0.00 C ATOM 793 NZ LYS A 49 47.568 1.384 -12.043 1.00 0.00 N ATOM 0 H LYS A 49 48.733 -2.503 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 49 47.643 -0.272 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.314 -2.066 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.092 -3.290 -8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 49 47.962 -2.830 -11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 49 46.591 -1.987 -10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 49 48.465 -0.015 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.133 -0.859 -11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.130 -0.524 -12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 49 46.162 -0.137 -11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 46.892 1.892 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.580 1.817 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 48.518 1.441 -12.462 1.00 0.00 H new ATOM 807 N ASN A 50 45.595 -2.409 -7.079 1.00 0.00 N ATOM 808 CA ASN A 50 44.143 -2.728 -6.980 1.00 0.00 C ATOM 809 C ASN A 50 43.400 -1.687 -6.127 1.00 0.00 C ATOM 810 O ASN A 50 42.271 -1.903 -5.729 1.00 0.00 O ATOM 811 CB ASN A 50 44.088 -4.101 -6.310 1.00 0.00 C ATOM 812 CG ASN A 50 44.123 -5.193 -7.382 1.00 0.00 C ATOM 813 OD1 ASN A 50 43.154 -5.900 -7.578 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.207 -5.362 -8.089 1.00 0.00 N ATOM 0 H ASN A 50 46.183 -2.851 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 50 43.662 -2.721 -7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.930 -4.219 -5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.180 -4.191 -5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.241 -6.087 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.020 -4.769 -7.925 1.00 0.00 H new ATOM 821 N GLY A 51 44.018 -0.562 -5.843 1.00 0.00 N ATOM 822 CA GLY A 51 43.340 0.482 -5.018 1.00 0.00 C ATOM 823 C GLY A 51 43.018 -0.081 -3.632 1.00 0.00 C ATOM 824 O GLY A 51 42.078 0.345 -2.987 1.00 0.00 O ATOM 0 H GLY A 51 44.962 -0.326 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.982 1.358 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.424 0.809 -5.510 1.00 0.00 H new ATOM 828 N GLN A 52 43.790 -1.034 -3.172 1.00 0.00 N ATOM 829 CA GLN A 52 43.532 -1.627 -1.826 1.00 0.00 C ATOM 830 C GLN A 52 44.556 -1.109 -0.814 1.00 0.00 C ATOM 831 O GLN A 52 45.750 -1.197 -1.030 1.00 0.00 O ATOM 832 CB GLN A 52 43.689 -3.135 -2.022 1.00 0.00 C ATOM 833 CG GLN A 52 42.382 -3.720 -2.560 1.00 0.00 C ATOM 834 CD GLN A 52 42.371 -5.233 -2.340 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.400 -5.876 -2.408 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.244 -5.834 -2.074 1.00 0.00 N ATOM 0 H GLN A 52 44.588 -1.426 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 52 42.546 -1.365 -1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.504 -3.339 -2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.950 -3.610 -1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.531 -3.262 -2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.281 -3.496 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.380 -5.295 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.227 -6.843 -1.923 1.00 0.00 H new ATOM 845 N GLU A 53 44.092 -0.574 0.287 1.00 0.00 N ATOM 846 CA GLU A 53 45.025 -0.045 1.330 1.00 0.00 C ATOM 847 C GLU A 53 45.517 -1.187 2.221 1.00 0.00 C ATOM 848 O GLU A 53 44.792 -2.129 2.483 1.00 0.00 O ATOM 849 CB GLU A 53 44.188 0.936 2.158 1.00 0.00 C ATOM 850 CG GLU A 53 43.656 2.060 1.267 1.00 0.00 C ATOM 851 CD GLU A 53 42.415 2.678 1.912 1.00 0.00 C ATOM 852 OE1 GLU A 53 41.339 2.136 1.718 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.560 3.682 2.589 1.00 0.00 O ATOM 0 H GLU A 53 43.101 -0.480 0.510 1.00 0.00 H new ATOM 0 HA GLU A 53 45.902 0.430 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.357 0.410 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.794 1.355 2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 53 44.423 2.821 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.410 1.670 0.279 1.00 0.00 H new ATOM 860 N GLY A 54 46.735 -1.108 2.701 1.00 0.00 N ATOM 861 CA GLY A 54 47.256 -2.191 3.587 1.00 0.00 C ATOM 862 C GLY A 54 48.585 -1.745 4.190 1.00 0.00 C ATOM 863 O GLY A 54 48.963 -0.596 4.069 1.00 0.00 O ATOM 0 H GLY A 54 47.386 -0.344 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.538 -2.408 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.391 -3.111 3.018 1.00 0.00 H new ATOM 867 N TYR A 55 49.290 -2.631 4.854 1.00 0.00 N ATOM 868 CA TYR A 55 50.581 -2.218 5.476 1.00 0.00 C ATOM 869 C TYR A 55 51.765 -2.362 4.508 1.00 0.00 C ATOM 870 O TYR A 55 51.683 -3.036 3.504 1.00 0.00 O ATOM 871 CB TYR A 55 50.760 -3.111 6.704 1.00 0.00 C ATOM 872 CG TYR A 55 50.128 -2.451 7.906 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.679 -1.276 8.430 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.989 -3.013 8.496 1.00 0.00 C ATOM 875 CE1 TYR A 55 50.092 -0.662 9.543 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.402 -2.400 9.610 1.00 0.00 C ATOM 877 CZ TYR A 55 48.954 -1.224 10.134 1.00 0.00 C ATOM 878 OH TYR A 55 48.377 -0.620 11.231 1.00 0.00 O ATOM 0 H TYR A 55 49.029 -3.608 4.989 1.00 0.00 H new ATOM 0 HA TYR A 55 50.556 -1.162 5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.302 -4.084 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.820 -3.286 6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.558 -0.843 7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 55 48.563 -3.919 8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.517 0.245 9.946 1.00 0.00 H new ATOM 0 HE2 TYR A 55 47.524 -2.834 10.065 1.00 0.00 H new ATOM 0 HH TYR A 55 47.596 -1.138 11.516 1.00 0.00 H new ATOM 888 N ILE A 56 52.862 -1.704 4.814 1.00 0.00 N ATOM 889 CA ILE A 56 54.070 -1.750 3.924 1.00 0.00 C ATOM 890 C ILE A 56 55.376 -1.768 4.753 1.00 0.00 C ATOM 891 O ILE A 56 55.768 -0.733 5.253 1.00 0.00 O ATOM 892 CB ILE A 56 54.000 -0.426 3.138 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.783 -0.438 2.213 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.272 -0.215 2.297 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.892 -1.595 1.222 1.00 0.00 C ATOM 0 H ILE A 56 52.972 -1.132 5.651 1.00 0.00 H new ATOM 0 HA ILE A 56 54.076 -2.641 3.296 1.00 0.00 H new ATOM 0 HB ILE A 56 53.915 0.390 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.870 -0.536 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.715 0.508 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.196 0.726 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.142 -0.186 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.380 -1.036 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 56 52.021 -1.596 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.796 -1.478 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.937 -2.538 1.767 1.00 0.00 H new ATOM 907 N PRO A 57 56.051 -2.905 4.844 1.00 0.00 N ATOM 908 CA PRO A 57 57.336 -2.938 5.588 1.00 0.00 C ATOM 909 C PRO A 57 58.339 -2.005 4.886 1.00 0.00 C ATOM 910 O PRO A 57 58.793 -2.281 3.793 1.00 0.00 O ATOM 911 CB PRO A 57 57.760 -4.406 5.470 1.00 0.00 C ATOM 912 CG PRO A 57 56.701 -5.163 4.646 1.00 0.00 C ATOM 913 CD PRO A 57 55.593 -4.184 4.241 1.00 0.00 C ATOM 0 HA PRO A 57 57.273 -2.608 6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.736 -4.480 4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.858 -4.852 6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.157 -5.603 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.284 -5.983 5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.495 -4.109 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.621 -4.489 4.629 1.00 0.00 H new ATOM 921 N SER A 58 58.655 -0.888 5.495 1.00 0.00 N ATOM 922 CA SER A 58 59.597 0.103 4.865 1.00 0.00 C ATOM 923 C SER A 58 60.861 -0.569 4.314 1.00 0.00 C ATOM 924 O SER A 58 61.311 -0.255 3.228 1.00 0.00 O ATOM 925 CB SER A 58 59.964 1.073 5.986 1.00 0.00 C ATOM 926 OG SER A 58 60.984 1.952 5.532 1.00 0.00 O ATOM 0 H SER A 58 58.299 -0.614 6.411 1.00 0.00 H new ATOM 0 HA SER A 58 59.127 0.597 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.086 1.643 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.306 0.522 6.862 1.00 0.00 H new ATOM 0 HG SER A 58 61.220 2.577 6.249 1.00 0.00 H new ATOM 932 N ASN A 59 61.437 -1.483 5.051 1.00 0.00 N ATOM 933 CA ASN A 59 62.676 -2.171 4.566 1.00 0.00 C ATOM 934 C ASN A 59 62.391 -2.890 3.246 1.00 0.00 C ATOM 935 O ASN A 59 63.208 -2.921 2.344 1.00 0.00 O ATOM 936 CB ASN A 59 63.035 -3.164 5.677 1.00 0.00 C ATOM 937 CG ASN A 59 61.959 -4.247 5.815 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.787 -3.978 5.649 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.313 -5.467 6.117 1.00 0.00 N ATOM 0 H ASN A 59 61.105 -1.784 5.967 1.00 0.00 H new ATOM 0 HA ASN A 59 63.495 -1.479 4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.997 -3.628 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.145 -2.633 6.623 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.605 -6.194 6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.298 -5.693 6.256 1.00 0.00 H new ATOM 946 N TYR A 60 61.232 -3.467 3.147 1.00 0.00 N ATOM 947 CA TYR A 60 60.848 -4.202 1.902 1.00 0.00 C ATOM 948 C TYR A 60 60.636 -3.234 0.732 1.00 0.00 C ATOM 949 O TYR A 60 61.029 -3.516 -0.385 1.00 0.00 O ATOM 950 CB TYR A 60 59.533 -4.912 2.241 1.00 0.00 C ATOM 951 CG TYR A 60 59.799 -6.346 2.652 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.812 -6.645 3.574 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.023 -7.379 2.110 1.00 0.00 C ATOM 954 CE1 TYR A 60 61.050 -7.971 3.951 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.259 -8.705 2.490 1.00 0.00 C ATOM 956 CZ TYR A 60 60.272 -9.002 3.409 1.00 0.00 C ATOM 957 OH TYR A 60 60.504 -10.310 3.783 1.00 0.00 O ATOM 0 H TYR A 60 60.522 -3.465 3.880 1.00 0.00 H new ATOM 0 HA TYR A 60 61.629 -4.898 1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.024 -4.384 3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.868 -4.892 1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 60 61.410 -5.850 3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.243 -7.152 1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.833 -8.199 4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.659 -9.500 2.074 1.00 0.00 H new ATOM 0 HH TYR A 60 59.876 -10.900 3.316 1.00 0.00 H new ATOM 967 N VAL A 61 60.005 -2.107 0.968 1.00 0.00 N ATOM 968 CA VAL A 61 59.760 -1.144 -0.154 1.00 0.00 C ATOM 969 C VAL A 61 60.765 0.008 -0.145 1.00 0.00 C ATOM 970 O VAL A 61 61.512 0.201 0.793 1.00 0.00 O ATOM 971 CB VAL A 61 58.346 -0.598 0.050 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.339 -1.742 -0.057 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.228 0.058 1.430 1.00 0.00 C ATOM 0 H VAL A 61 59.652 -1.814 1.879 1.00 0.00 H new ATOM 0 HA VAL A 61 59.872 -1.650 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 61 58.139 0.148 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.331 -1.354 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.413 -2.201 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.554 -2.489 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.217 0.443 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.441 -0.680 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.942 0.878 1.505 1.00 0.00 H new ATOM 983 N THR A 62 60.758 0.782 -1.195 1.00 0.00 N ATOM 984 CA THR A 62 61.676 1.951 -1.298 1.00 0.00 C ATOM 985 C THR A 62 60.976 3.047 -2.123 1.00 0.00 C ATOM 986 O THR A 62 59.789 3.252 -1.980 1.00 0.00 O ATOM 987 CB THR A 62 62.932 1.409 -1.997 1.00 0.00 C ATOM 988 OG1 THR A 62 63.881 2.459 -2.137 1.00 0.00 O ATOM 989 CG2 THR A 62 62.570 0.862 -3.380 1.00 0.00 C ATOM 0 H THR A 62 60.144 0.651 -1.999 1.00 0.00 H new ATOM 0 HA THR A 62 61.940 2.395 -0.338 1.00 0.00 H new ATOM 0 HB THR A 62 63.356 0.604 -1.397 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.685 2.117 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.468 0.480 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.844 0.056 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.140 1.660 -3.986 1.00 0.00 H new ATOM 997 N GLU A 63 61.681 3.743 -2.982 1.00 0.00 N ATOM 998 CA GLU A 63 61.025 4.804 -3.803 1.00 0.00 C ATOM 999 C GLU A 63 60.411 4.185 -5.061 1.00 0.00 C ATOM 1000 O GLU A 63 60.975 3.292 -5.661 1.00 0.00 O ATOM 1001 CB GLU A 63 62.145 5.778 -4.169 1.00 0.00 C ATOM 1002 CG GLU A 63 62.177 6.925 -3.157 1.00 0.00 C ATOM 1003 CD GLU A 63 63.548 7.602 -3.195 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.530 6.923 -2.942 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.594 8.789 -3.476 1.00 0.00 O ATOM 0 H GLU A 63 62.680 3.621 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 63 60.218 5.304 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.104 5.259 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 63 61.986 6.170 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.396 7.649 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.975 6.546 -2.155 1.00 0.00 H new ATOM 1012 N ALA A 64 59.250 4.648 -5.457 1.00 0.00 N ATOM 1013 CA ALA A 64 58.572 4.085 -6.673 1.00 0.00 C ATOM 1014 C ALA A 64 59.532 4.039 -7.871 1.00 0.00 C ATOM 1015 O ALA A 64 59.377 3.231 -8.768 1.00 0.00 O ATOM 1016 CB ALA A 64 57.416 5.039 -6.962 1.00 0.00 C ATOM 0 H ALA A 64 58.738 5.396 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 64 58.235 3.062 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.870 4.694 -7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.744 5.066 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.807 6.039 -7.148 1.00 0.00 H new