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 Single : A 10 LYS NZ :NH3+ 176:sc= 0.0396 (180deg=0.037) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -127:sc= 0.368 USER MOD Single : A 18 MET CE :methyl -125:sc=-0.00575 (180deg=-0.0277) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.74 K(o=-0.74,f=-4!) USER MOD Single : A 23 ASN : amide:sc= -0.522 K(o=-0.52,f=-2.2!) 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 72:sc= -1.53 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.776 K(o=-0.78,f=-7!) USER MOD Single : A 52 GLN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 56:sc= -0.161! USER MOD Single : A 59 ASN : amide:sc= -2.26 K(o=-2.3,f=-10!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.221 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.237 7.722 -4.352 1.00 0.00 N ATOM 131 CA LYS A 10 55.014 6.245 -4.330 1.00 0.00 C ATOM 132 C LYS A 10 56.280 5.526 -3.853 1.00 0.00 C ATOM 133 O LYS A 10 57.241 6.150 -3.447 1.00 0.00 O ATOM 134 CB LYS A 10 54.694 5.872 -5.778 1.00 0.00 C ATOM 135 CG LYS A 10 53.216 6.152 -6.067 1.00 0.00 C ATOM 136 CD LYS A 10 53.074 7.529 -6.719 1.00 0.00 C ATOM 137 CE LYS A 10 52.772 8.577 -5.645 1.00 0.00 C ATOM 138 NZ LYS A 10 51.773 9.488 -6.267 1.00 0.00 N ATOM 0 HA LYS A 10 54.212 5.957 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.323 6.445 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.915 4.819 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.811 5.383 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.640 6.115 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.991 7.789 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.274 7.511 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 10 52.375 8.114 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.673 9.118 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 51.465 10.194 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 52.203 9.971 -7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 50.951 8.936 -6.586 1.00 0.00 H new ATOM 152 N VAL A 11 56.284 4.218 -3.905 1.00 0.00 N ATOM 153 CA VAL A 11 57.486 3.443 -3.460 1.00 0.00 C ATOM 154 C VAL A 11 57.553 2.116 -4.209 1.00 0.00 C ATOM 155 O VAL A 11 56.558 1.621 -4.696 1.00 0.00 O ATOM 156 CB VAL A 11 57.310 3.193 -1.958 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.420 4.518 -1.204 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.948 2.548 -1.688 1.00 0.00 C ATOM 0 H VAL A 11 55.505 3.650 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 11 58.408 3.988 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 11 58.092 2.516 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.295 4.340 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.400 4.960 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.644 5.200 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.833 2.375 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.156 3.212 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.884 1.598 -2.218 1.00 0.00 H new ATOM 168 N VAL A 12 58.719 1.539 -4.297 1.00 0.00 N ATOM 169 CA VAL A 12 58.870 0.241 -5.016 1.00 0.00 C ATOM 170 C VAL A 12 58.769 -0.910 -3.992 1.00 0.00 C ATOM 171 O VAL A 12 58.617 -0.682 -2.810 1.00 0.00 O ATOM 172 CB VAL A 12 60.272 0.363 -5.689 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.141 -0.893 -5.529 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.096 0.629 -7.181 1.00 0.00 C ATOM 0 H VAL A 12 59.581 1.913 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 12 58.105 0.029 -5.762 1.00 0.00 H new ATOM 0 HB VAL A 12 60.782 1.184 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.101 -0.737 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.305 -1.090 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.635 -1.745 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.075 0.715 -7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.545 -0.195 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.543 1.557 -7.322 1.00 0.00 H new ATOM 184 N ALA A 13 58.864 -2.134 -4.444 1.00 0.00 N ATOM 185 CA ALA A 13 58.791 -3.298 -3.511 1.00 0.00 C ATOM 186 C ALA A 13 60.058 -4.150 -3.649 1.00 0.00 C ATOM 187 O ALA A 13 60.471 -4.483 -4.743 1.00 0.00 O ATOM 188 CB ALA A 13 57.564 -4.090 -3.960 1.00 0.00 C ATOM 0 H ALA A 13 58.990 -2.378 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 13 58.716 -2.993 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.442 -4.965 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.677 -3.460 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.696 -4.411 -4.993 1.00 0.00 H new ATOM 194 N LEU A 14 60.677 -4.498 -2.549 1.00 0.00 N ATOM 195 CA LEU A 14 61.922 -5.323 -2.616 1.00 0.00 C ATOM 196 C LEU A 14 61.594 -6.804 -2.420 1.00 0.00 C ATOM 197 O LEU A 14 62.125 -7.662 -3.102 1.00 0.00 O ATOM 198 CB LEU A 14 62.803 -4.814 -1.474 1.00 0.00 C ATOM 199 CG LEU A 14 63.133 -3.337 -1.700 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.562 -2.700 -0.378 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.274 -3.221 -2.715 1.00 0.00 C ATOM 0 H LEU A 14 60.374 -4.247 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 14 62.417 -5.235 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.290 -4.941 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.722 -5.398 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 14 62.251 -2.822 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.797 -1.648 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.751 -2.783 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.444 -3.214 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.511 -2.170 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.155 -3.736 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.969 -3.674 -3.658 1.00 0.00 H new ATOM 213 N TYR A 15 60.726 -7.108 -1.492 1.00 0.00 N ATOM 214 CA TYR A 15 60.358 -8.533 -1.241 1.00 0.00 C ATOM 215 C TYR A 15 58.838 -8.705 -1.276 1.00 0.00 C ATOM 216 O TYR A 15 58.097 -7.745 -1.374 1.00 0.00 O ATOM 217 CB TYR A 15 60.898 -8.849 0.154 1.00 0.00 C ATOM 218 CG TYR A 15 62.401 -8.697 0.163 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.208 -9.694 -0.397 1.00 0.00 C ATOM 220 CD2 TYR A 15 62.986 -7.559 0.732 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.601 -9.554 -0.390 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.378 -7.419 0.739 1.00 0.00 C ATOM 223 CZ TYR A 15 65.186 -8.415 0.179 1.00 0.00 C ATOM 224 OH TYR A 15 66.560 -8.277 0.186 1.00 0.00 O ATOM 0 H TYR A 15 60.254 -6.429 -0.895 1.00 0.00 H new ATOM 0 HA TYR A 15 60.771 -9.200 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.450 -8.179 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.624 -9.864 0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.756 -10.572 -0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.363 -6.790 1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.224 -10.323 -0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.830 -6.541 1.177 1.00 0.00 H new ATOM 0 HH TYR A 15 66.802 -7.431 0.617 1.00 0.00 H new ATOM 234 N ASP A 16 58.374 -9.925 -1.199 1.00 0.00 N ATOM 235 CA ASP A 16 56.902 -10.178 -1.231 1.00 0.00 C ATOM 236 C ASP A 16 56.308 -10.087 0.178 1.00 0.00 C ATOM 237 O ASP A 16 57.015 -10.154 1.166 1.00 0.00 O ATOM 238 CB ASP A 16 56.755 -11.596 -1.784 1.00 0.00 C ATOM 239 CG ASP A 16 56.755 -11.550 -3.313 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.535 -10.790 -3.863 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.975 -12.275 -3.908 1.00 0.00 O ATOM 0 H ASP A 16 58.953 -10.760 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 16 56.375 -9.444 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.573 -12.223 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.829 -12.044 -1.423 1.00 0.00 H new ATOM 246 N TYR A 17 55.010 -9.935 0.271 1.00 0.00 N ATOM 247 CA TYR A 17 54.349 -9.834 1.606 1.00 0.00 C ATOM 248 C TYR A 17 52.831 -9.984 1.435 1.00 0.00 C ATOM 249 O TYR A 17 52.080 -9.045 1.619 1.00 0.00 O ATOM 250 CB TYR A 17 54.733 -8.435 2.120 1.00 0.00 C ATOM 251 CG TYR A 17 53.956 -8.078 3.373 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.832 -9.001 4.420 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.363 -6.813 3.483 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.115 -8.658 5.572 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.647 -6.473 4.637 1.00 0.00 C ATOM 256 CZ TYR A 17 52.522 -7.395 5.680 1.00 0.00 C ATOM 257 OH TYR A 17 51.817 -7.059 6.818 1.00 0.00 O ATOM 0 H TYR A 17 54.377 -9.876 -0.527 1.00 0.00 H new ATOM 0 HA TYR A 17 54.659 -10.610 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.802 -8.403 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.538 -7.694 1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.289 -9.976 4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.458 -6.100 2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.019 -9.369 6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.191 -5.498 4.721 1.00 0.00 H new ATOM 0 HH TYR A 17 50.925 -6.741 6.568 1.00 0.00 H new ATOM 267 N MET A 18 52.383 -11.163 1.082 1.00 0.00 N ATOM 268 CA MET A 18 50.916 -11.392 0.890 1.00 0.00 C ATOM 269 C MET A 18 50.156 -11.103 2.195 1.00 0.00 C ATOM 270 O MET A 18 50.754 -11.073 3.252 1.00 0.00 O ATOM 271 CB MET A 18 50.782 -12.868 0.508 1.00 0.00 C ATOM 272 CG MET A 18 51.033 -13.032 -0.991 1.00 0.00 C ATOM 273 SD MET A 18 51.353 -14.774 -1.363 1.00 0.00 S ATOM 274 CE MET A 18 49.633 -15.334 -1.326 1.00 0.00 C ATOM 0 H MET A 18 52.971 -11.980 0.918 1.00 0.00 H new ATOM 0 HA MET A 18 50.498 -10.737 0.126 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.495 -13.467 1.074 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.786 -13.232 0.763 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.169 -12.681 -1.556 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.883 -12.422 -1.297 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.534 -16.158 -0.619 1.00 0.00 H new ATOM 0 HE2 MET A 18 48.989 -14.511 -1.016 1.00 0.00 H new ATOM 0 HE3 MET A 18 49.339 -15.671 -2.320 1.00 0.00 H new ATOM 284 N PRO A 19 48.854 -10.886 2.094 1.00 0.00 N ATOM 285 CA PRO A 19 48.046 -10.588 3.299 1.00 0.00 C ATOM 286 C PRO A 19 47.954 -11.812 4.214 1.00 0.00 C ATOM 287 O PRO A 19 48.068 -12.941 3.773 1.00 0.00 O ATOM 288 CB PRO A 19 46.675 -10.237 2.708 1.00 0.00 C ATOM 289 CG PRO A 19 46.753 -10.356 1.175 1.00 0.00 C ATOM 290 CD PRO A 19 48.123 -10.920 0.796 1.00 0.00 C ATOM 0 HA PRO A 19 48.466 -9.795 3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.911 -10.908 3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.388 -9.225 2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.961 -11.007 0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.605 -9.380 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.050 -11.932 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.616 -10.313 0.036 1.00 0.00 H new ATOM 298 N MET A 20 47.737 -11.589 5.484 1.00 0.00 N ATOM 299 CA MET A 20 47.620 -12.726 6.445 1.00 0.00 C ATOM 300 C MET A 20 46.185 -12.808 6.965 1.00 0.00 C ATOM 301 O MET A 20 45.578 -13.862 6.986 1.00 0.00 O ATOM 302 CB MET A 20 48.583 -12.392 7.589 1.00 0.00 C ATOM 303 CG MET A 20 50.003 -12.236 7.040 1.00 0.00 C ATOM 304 SD MET A 20 51.201 -12.754 8.294 1.00 0.00 S ATOM 305 CE MET A 20 52.044 -14.009 7.299 1.00 0.00 C ATOM 0 H MET A 20 47.635 -10.663 5.899 1.00 0.00 H new ATOM 0 HA MET A 20 47.860 -13.685 5.986 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.271 -11.472 8.083 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.558 -13.181 8.340 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.123 -12.837 6.138 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.183 -11.199 6.758 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.838 -14.467 7.888 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.329 -14.774 6.996 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.473 -13.542 6.412 1.00 0.00 H new ATOM 315 N ASN A 21 45.643 -11.692 7.377 1.00 0.00 N ATOM 316 CA ASN A 21 44.244 -11.674 7.895 1.00 0.00 C ATOM 317 C ASN A 21 43.367 -10.800 6.995 1.00 0.00 C ATOM 318 O ASN A 21 42.443 -11.273 6.361 1.00 0.00 O ATOM 319 CB ASN A 21 44.345 -11.073 9.297 1.00 0.00 C ATOM 320 CG ASN A 21 42.964 -11.075 9.955 1.00 0.00 C ATOM 321 OD1 ASN A 21 42.021 -10.531 9.417 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.805 -11.669 11.106 1.00 0.00 N ATOM 0 H ASN A 21 46.113 -10.787 7.377 1.00 0.00 H new ATOM 0 HA ASN A 21 43.795 -12.667 7.914 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.048 -11.648 9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.731 -10.055 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.889 -11.676 11.554 1.00 0.00 H new ATOM 0 HD22 ASN A 21 43.597 -12.126 11.558 1.00 0.00 H new ATOM 329 N ALA A 22 43.659 -9.527 6.937 1.00 0.00 N ATOM 330 CA ALA A 22 42.857 -8.602 6.079 1.00 0.00 C ATOM 331 C ALA A 22 43.552 -7.243 5.976 1.00 0.00 C ATOM 332 O ALA A 22 43.604 -6.642 4.919 1.00 0.00 O ATOM 333 CB ALA A 22 41.509 -8.464 6.789 1.00 0.00 C ATOM 0 H ALA A 22 44.422 -9.085 7.449 1.00 0.00 H new ATOM 0 HA ALA A 22 42.742 -8.979 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.863 -7.798 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.038 -9.444 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.664 -8.052 7.786 1.00 0.00 H new ATOM 339 N ASN A 23 44.090 -6.761 7.066 1.00 0.00 N ATOM 340 CA ASN A 23 44.792 -5.439 7.040 1.00 0.00 C ATOM 341 C ASN A 23 45.953 -5.461 6.068 1.00 0.00 C ATOM 342 O ASN A 23 46.114 -4.578 5.252 1.00 0.00 O ATOM 343 CB ASN A 23 45.358 -5.238 8.439 1.00 0.00 C ATOM 344 CG ASN A 23 44.361 -4.462 9.300 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.744 -3.595 10.061 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.089 -4.737 9.212 1.00 0.00 N ATOM 0 H ASN A 23 44.075 -7.224 7.975 1.00 0.00 H new ATOM 0 HA ASN A 23 44.103 -4.651 6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.571 -6.204 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.302 -4.696 8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 23 42.416 -4.225 9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 23 42.767 -5.465 8.573 1.00 0.00 H new ATOM 353 N ASP A 24 46.793 -6.447 6.203 1.00 0.00 N ATOM 354 CA ASP A 24 48.009 -6.543 5.346 1.00 0.00 C ATOM 355 C ASP A 24 47.697 -6.284 3.864 1.00 0.00 C ATOM 356 O ASP A 24 46.618 -6.574 3.383 1.00 0.00 O ATOM 357 CB ASP A 24 48.530 -7.965 5.551 1.00 0.00 C ATOM 358 CG ASP A 24 48.989 -8.142 7.001 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.452 -7.173 7.580 1.00 0.00 O ATOM 360 OD2 ASP A 24 48.866 -9.244 7.509 1.00 0.00 O ATOM 0 H ASP A 24 46.688 -7.202 6.880 1.00 0.00 H new ATOM 0 HA ASP A 24 48.744 -5.787 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 24 47.748 -8.687 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.359 -8.161 4.871 1.00 0.00 H new ATOM 365 N LEU A 25 48.641 -5.726 3.149 1.00 0.00 N ATOM 366 CA LEU A 25 48.423 -5.425 1.705 1.00 0.00 C ATOM 367 C LEU A 25 49.148 -6.468 0.848 1.00 0.00 C ATOM 368 O LEU A 25 50.211 -6.941 1.202 1.00 0.00 O ATOM 369 CB LEU A 25 49.015 -4.020 1.496 1.00 0.00 C ATOM 370 CG LEU A 25 48.833 -3.603 0.031 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.393 -3.132 -0.194 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.792 -2.457 -0.304 1.00 0.00 C ATOM 0 H LEU A 25 49.559 -5.465 3.508 1.00 0.00 H new ATOM 0 HA LEU A 25 47.372 -5.457 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.522 -3.304 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.073 -4.017 1.758 1.00 0.00 H new ATOM 0 HG LEU A 25 49.046 -4.458 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.265 -2.836 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.704 -3.944 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.183 -2.281 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.659 -2.164 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.581 -1.605 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.820 -2.785 -0.148 1.00 0.00 H new ATOM 384 N GLN A 26 48.574 -6.838 -0.268 1.00 0.00 N ATOM 385 CA GLN A 26 49.221 -7.862 -1.147 1.00 0.00 C ATOM 386 C GLN A 26 50.375 -7.241 -1.933 1.00 0.00 C ATOM 387 O GLN A 26 50.199 -6.764 -3.039 1.00 0.00 O ATOM 388 CB GLN A 26 48.117 -8.333 -2.095 1.00 0.00 C ATOM 389 CG GLN A 26 48.610 -9.543 -2.890 1.00 0.00 C ATOM 390 CD GLN A 26 47.533 -9.971 -3.889 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.323 -9.317 -4.891 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.837 -11.051 -3.657 1.00 0.00 N ATOM 0 H GLN A 26 47.684 -6.476 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 26 49.641 -8.686 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.224 -8.596 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.838 -7.527 -2.774 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.531 -9.294 -3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.841 -10.366 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.013 -11.600 -2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.117 -11.345 -4.317 1.00 0.00 H new ATOM 401 N LEU A 27 51.553 -7.247 -1.366 1.00 0.00 N ATOM 402 CA LEU A 27 52.729 -6.664 -2.068 1.00 0.00 C ATOM 403 C LEU A 27 53.469 -7.748 -2.861 1.00 0.00 C ATOM 404 O LEU A 27 52.981 -8.847 -3.043 1.00 0.00 O ATOM 405 CB LEU A 27 53.613 -6.108 -0.948 1.00 0.00 C ATOM 406 CG LEU A 27 53.053 -4.769 -0.481 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.070 -5.004 0.670 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.203 -3.877 -0.005 1.00 0.00 C ATOM 0 H LEU A 27 51.750 -7.633 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 27 52.447 -5.894 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.649 -6.810 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.636 -5.983 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 27 52.534 -4.280 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 27 51.668 -4.048 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.254 -5.641 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.587 -5.491 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 27 53.806 -2.919 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 27 54.722 -4.363 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 27 54.901 -3.714 -0.826 1.00 0.00 H new ATOM 420 N ARG A 28 54.644 -7.434 -3.333 1.00 0.00 N ATOM 421 CA ARG A 28 55.448 -8.411 -4.121 1.00 0.00 C ATOM 422 C ARG A 28 56.856 -7.847 -4.325 1.00 0.00 C ATOM 423 O ARG A 28 57.274 -6.950 -3.616 1.00 0.00 O ATOM 424 CB ARG A 28 54.716 -8.565 -5.461 1.00 0.00 C ATOM 425 CG ARG A 28 54.594 -7.208 -6.160 1.00 0.00 C ATOM 426 CD ARG A 28 53.452 -7.262 -7.178 1.00 0.00 C ATOM 427 NE ARG A 28 54.068 -7.812 -8.418 1.00 0.00 N ATOM 428 CZ ARG A 28 53.351 -8.526 -9.241 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.846 -9.664 -8.847 1.00 0.00 N ATOM 430 NH2 ARG A 28 53.138 -8.104 -10.457 1.00 0.00 N ATOM 0 H ARG A 28 55.089 -6.525 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 28 55.549 -9.375 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 28 55.256 -9.263 -6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 28 53.725 -8.986 -5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.405 -6.424 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 28 55.530 -6.958 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.639 -7.897 -6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.031 -6.272 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 28 55.050 -7.630 -8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 28 53.012 -9.994 -7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 28 52.285 -10.223 -9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 28 53.532 -7.215 -10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 28 52.577 -8.663 -11.100 1.00 0.00 H new ATOM 444 N LYS A 29 57.590 -8.359 -5.279 1.00 0.00 N ATOM 445 CA LYS A 29 58.965 -7.841 -5.515 1.00 0.00 C ATOM 446 C LYS A 29 59.073 -7.202 -6.908 1.00 0.00 C ATOM 447 O LYS A 29 58.648 -7.765 -7.899 1.00 0.00 O ATOM 448 CB LYS A 29 59.890 -9.061 -5.362 1.00 0.00 C ATOM 449 CG LYS A 29 59.736 -10.000 -6.562 1.00 0.00 C ATOM 450 CD LYS A 29 59.839 -11.455 -6.098 1.00 0.00 C ATOM 451 CE LYS A 29 61.294 -11.782 -5.756 1.00 0.00 C ATOM 452 NZ LYS A 29 61.488 -13.189 -6.204 1.00 0.00 N ATOM 0 H LYS A 29 57.295 -9.111 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 29 59.239 -7.055 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.926 -8.732 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.651 -9.594 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 29 58.775 -9.831 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.508 -9.789 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 29 59.205 -11.615 -5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.480 -12.123 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.981 -11.107 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.481 -11.679 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 62.464 -13.486 -6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.826 -13.809 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.310 -13.255 -7.226 1.00 0.00 H new ATOM 466 N GLY A 30 59.638 -6.027 -6.973 1.00 0.00 N ATOM 467 CA GLY A 30 59.788 -5.321 -8.280 1.00 0.00 C ATOM 468 C GLY A 30 58.592 -4.392 -8.512 1.00 0.00 C ATOM 469 O GLY A 30 58.706 -3.389 -9.192 1.00 0.00 O ATOM 0 H GLY A 30 60.006 -5.520 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.714 -4.745 -8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.858 -6.047 -9.090 1.00 0.00 H new ATOM 473 N ASP A 31 57.450 -4.711 -7.953 1.00 0.00 N ATOM 474 CA ASP A 31 56.255 -3.842 -8.141 1.00 0.00 C ATOM 475 C ASP A 31 56.355 -2.623 -7.228 1.00 0.00 C ATOM 476 O ASP A 31 57.160 -2.591 -6.320 1.00 0.00 O ATOM 477 CB ASP A 31 55.056 -4.709 -7.752 1.00 0.00 C ATOM 478 CG ASP A 31 53.769 -4.054 -8.259 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.696 -3.780 -9.445 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.879 -3.840 -7.452 1.00 0.00 O ATOM 0 H ASP A 31 57.297 -5.537 -7.375 1.00 0.00 H new ATOM 0 HA ASP A 31 56.167 -3.475 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.161 -5.707 -8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.015 -4.827 -6.669 1.00 0.00 H new ATOM 485 N GLU A 32 55.549 -1.621 -7.460 1.00 0.00 N ATOM 486 CA GLU A 32 55.604 -0.397 -6.598 1.00 0.00 C ATOM 487 C GLU A 32 54.200 -0.092 -6.071 1.00 0.00 C ATOM 488 O GLU A 32 53.220 -0.607 -6.579 1.00 0.00 O ATOM 489 CB GLU A 32 56.121 0.744 -7.495 1.00 0.00 C ATOM 490 CG GLU A 32 57.286 0.269 -8.375 1.00 0.00 C ATOM 491 CD GLU A 32 56.738 -0.304 -9.683 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.167 0.456 -10.448 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.897 -1.495 -9.898 1.00 0.00 O ATOM 0 H GLU A 32 54.855 -1.594 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 32 56.259 -0.527 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.311 1.111 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.446 1.580 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.960 1.100 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.867 -0.488 -7.849 1.00 0.00 H new ATOM 500 N TYR A 33 54.093 0.700 -5.033 1.00 0.00 N ATOM 501 CA TYR A 33 52.752 0.988 -4.447 1.00 0.00 C ATOM 502 C TYR A 33 52.530 2.488 -4.260 1.00 0.00 C ATOM 503 O TYR A 33 53.295 3.314 -4.718 1.00 0.00 O ATOM 504 CB TYR A 33 52.766 0.316 -3.070 1.00 0.00 C ATOM 505 CG TYR A 33 53.351 -1.075 -3.156 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.704 -2.058 -3.909 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.548 -1.368 -2.496 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.254 -3.336 -4.003 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.097 -2.648 -2.587 1.00 0.00 C ATOM 510 CZ TYR A 33 54.451 -3.633 -3.342 1.00 0.00 C ATOM 511 OH TYR A 33 54.996 -4.891 -3.445 1.00 0.00 O ATOM 0 H TYR A 33 54.877 1.158 -4.568 1.00 0.00 H new ATOM 0 HA TYR A 33 51.959 0.624 -5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.349 0.918 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.751 0.265 -2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.779 -1.828 -4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.047 -0.605 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.756 -4.097 -4.586 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.020 -2.878 -2.075 1.00 0.00 H new ATOM 0 HH TYR A 33 55.362 -5.016 -4.345 1.00 0.00 H new ATOM 521 N PHE A 34 51.481 2.826 -3.557 1.00 0.00 N ATOM 522 CA PHE A 34 51.169 4.259 -3.283 1.00 0.00 C ATOM 523 C PHE A 34 51.189 4.507 -1.776 1.00 0.00 C ATOM 524 O PHE A 34 50.540 3.811 -1.022 1.00 0.00 O ATOM 525 CB PHE A 34 49.764 4.476 -3.841 1.00 0.00 C ATOM 526 CG PHE A 34 49.857 4.927 -5.279 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.251 4.022 -6.272 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.550 6.249 -5.618 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.339 4.440 -7.604 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.637 6.668 -6.951 1.00 0.00 C ATOM 531 CZ PHE A 34 50.031 5.764 -7.945 1.00 0.00 C ATOM 0 H PHE A 34 50.819 2.161 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 34 51.891 4.938 -3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.188 3.553 -3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.237 5.223 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.487 3.001 -6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.246 6.946 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.644 3.742 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.400 7.689 -7.213 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.097 6.087 -8.974 1.00 0.00 H new ATOM 541 N ILE A 35 51.940 5.481 -1.331 1.00 0.00 N ATOM 542 CA ILE A 35 52.020 5.754 0.138 1.00 0.00 C ATOM 543 C ILE A 35 51.083 6.889 0.555 1.00 0.00 C ATOM 544 O ILE A 35 51.128 7.982 0.024 1.00 0.00 O ATOM 545 CB ILE A 35 53.478 6.157 0.405 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.439 5.062 -0.085 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.691 6.384 1.908 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.131 3.729 0.605 1.00 0.00 C ATOM 0 H ILE A 35 52.501 6.098 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 35 51.718 4.877 0.710 1.00 0.00 H new ATOM 0 HB ILE A 35 53.685 7.079 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.349 4.948 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.469 5.355 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.727 6.669 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.030 7.179 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.467 5.465 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.821 2.965 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.244 3.843 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.108 3.429 0.377 1.00 0.00 H new ATOM 560 N LEU A 36 50.266 6.633 1.540 1.00 0.00 N ATOM 561 CA LEU A 36 49.343 7.681 2.061 1.00 0.00 C ATOM 562 C LEU A 36 49.879 8.178 3.409 1.00 0.00 C ATOM 563 O LEU A 36 49.698 9.320 3.785 1.00 0.00 O ATOM 564 CB LEU A 36 47.996 6.978 2.237 1.00 0.00 C ATOM 565 CG LEU A 36 47.337 6.786 0.870 1.00 0.00 C ATOM 566 CD1 LEU A 36 48.001 5.618 0.141 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.848 6.487 1.061 1.00 0.00 C ATOM 0 H LEU A 36 50.198 5.731 2.012 1.00 0.00 H new ATOM 0 HA LEU A 36 49.252 8.542 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.139 6.013 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.348 7.568 2.885 1.00 0.00 H new ATOM 0 HG LEU A 36 47.454 7.695 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.531 5.482 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.062 5.829 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.885 4.708 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.377 6.350 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.732 5.578 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.373 7.320 1.580 1.00 0.00 H new ATOM 579 N GLU A 37 50.551 7.313 4.129 1.00 0.00 N ATOM 580 CA GLU A 37 51.131 7.689 5.449 1.00 0.00 C ATOM 581 C GLU A 37 52.094 6.584 5.888 1.00 0.00 C ATOM 582 O GLU A 37 52.208 5.568 5.224 1.00 0.00 O ATOM 583 CB GLU A 37 49.938 7.781 6.401 1.00 0.00 C ATOM 584 CG GLU A 37 50.158 8.931 7.386 1.00 0.00 C ATOM 585 CD GLU A 37 49.531 8.577 8.735 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.466 7.982 8.733 1.00 0.00 O ATOM 587 OE2 GLU A 37 50.127 8.904 9.748 1.00 0.00 O ATOM 0 H GLU A 37 50.723 6.347 3.850 1.00 0.00 H new ATOM 0 HA GLU A 37 51.685 8.627 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.020 7.943 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.818 6.843 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.225 9.120 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.714 9.847 6.996 1.00 0.00 H new ATOM 653 N PRO A 42 57.695 1.417 11.175 1.00 0.00 N ATOM 654 CA PRO A 42 58.135 1.067 9.795 1.00 0.00 C ATOM 655 C PRO A 42 56.981 0.563 8.915 1.00 0.00 C ATOM 656 O PRO A 42 57.007 0.731 7.710 1.00 0.00 O ATOM 657 CB PRO A 42 59.180 -0.028 10.037 1.00 0.00 C ATOM 658 CG PRO A 42 59.315 -0.257 11.553 1.00 0.00 C ATOM 659 CD PRO A 42 58.469 0.792 12.286 1.00 0.00 C ATOM 0 HA PRO A 42 58.524 1.927 9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.881 -0.951 9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.140 0.266 9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.982 -1.261 11.815 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.359 -0.179 11.855 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.815 0.338 13.031 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.089 1.520 12.808 1.00 0.00 H new ATOM 667 N TRP A 43 55.971 -0.042 9.492 1.00 0.00 N ATOM 668 CA TRP A 43 54.829 -0.535 8.661 1.00 0.00 C ATOM 669 C TRP A 43 53.916 0.646 8.316 1.00 0.00 C ATOM 670 O TRP A 43 53.511 1.397 9.183 1.00 0.00 O ATOM 671 CB TRP A 43 54.099 -1.552 9.538 1.00 0.00 C ATOM 672 CG TRP A 43 55.007 -2.688 9.862 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.854 -2.701 10.900 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.169 -3.966 9.179 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.538 -3.903 10.911 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.150 -4.718 9.868 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.570 -4.540 8.042 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.523 -5.995 9.447 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.943 -5.825 7.616 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.918 -6.551 8.316 1.00 0.00 C ATOM 0 H TRP A 43 55.888 -0.215 10.494 1.00 0.00 H new ATOM 0 HA TRP A 43 55.151 -0.987 7.723 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.758 -1.074 10.457 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.212 -1.920 9.022 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.982 -1.901 11.614 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.242 -4.156 11.604 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.820 -3.989 7.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.273 -6.550 9.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.476 -6.257 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.201 -7.538 7.982 1.00 0.00 H new ATOM 691 N TRP A 44 53.618 0.833 7.055 1.00 0.00 N ATOM 692 CA TRP A 44 52.763 1.984 6.645 1.00 0.00 C ATOM 693 C TRP A 44 51.354 1.528 6.274 1.00 0.00 C ATOM 694 O TRP A 44 50.960 0.407 6.518 1.00 0.00 O ATOM 695 CB TRP A 44 53.439 2.539 5.388 1.00 0.00 C ATOM 696 CG TRP A 44 54.866 2.926 5.636 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.445 3.170 6.839 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.897 3.122 4.639 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.774 3.503 6.630 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.098 3.486 5.285 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.896 3.016 3.242 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.265 3.739 4.560 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.059 3.266 2.508 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.245 3.629 3.163 1.00 0.00 C ATOM 0 H TRP A 44 53.932 0.235 6.291 1.00 0.00 H new ATOM 0 HA TRP A 44 52.669 2.709 7.453 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.400 1.791 4.596 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.885 3.408 5.033 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.953 3.114 7.799 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.432 3.732 7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 44 54.988 2.738 2.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.175 4.017 5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.044 3.179 1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.141 3.823 2.592 1.00 0.00 H new ATOM 715 N ARG A 45 50.616 2.402 5.645 1.00 0.00 N ATOM 716 CA ARG A 45 49.243 2.065 5.186 1.00 0.00 C ATOM 717 C ARG A 45 49.128 2.520 3.730 1.00 0.00 C ATOM 718 O ARG A 45 48.424 3.458 3.410 1.00 0.00 O ATOM 719 CB ARG A 45 48.301 2.862 6.089 1.00 0.00 C ATOM 720 CG ARG A 45 46.850 2.540 5.726 1.00 0.00 C ATOM 721 CD ARG A 45 45.908 3.354 6.614 1.00 0.00 C ATOM 722 NE ARG A 45 45.612 2.467 7.774 1.00 0.00 N ATOM 723 CZ ARG A 45 45.267 2.986 8.921 1.00 0.00 C ATOM 724 NH1 ARG A 45 46.060 3.833 9.519 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.128 2.659 9.470 1.00 0.00 N ATOM 0 H ARG A 45 50.915 3.353 5.427 1.00 0.00 H new ATOM 0 HA ARG A 45 49.007 1.002 5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.488 2.616 7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.487 3.930 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.667 2.771 4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.659 1.475 5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.375 4.284 6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 45 44.997 3.624 6.080 1.00 0.00 H new ATOM 0 HE ARG A 45 45.679 1.454 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 45 46.949 4.089 9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 45 45.790 4.239 10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.508 1.998 9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.859 3.065 10.366 1.00 0.00 H new ATOM 739 N ALA A 46 49.855 1.873 2.859 1.00 0.00 N ATOM 740 CA ALA A 46 49.851 2.261 1.419 1.00 0.00 C ATOM 741 C ALA A 46 48.954 1.324 0.618 1.00 0.00 C ATOM 742 O ALA A 46 48.553 0.278 1.093 1.00 0.00 O ATOM 743 CB ALA A 46 51.313 2.114 0.976 1.00 0.00 C ATOM 0 H ALA A 46 50.458 1.083 3.087 1.00 0.00 H new ATOM 0 HA ALA A 46 49.470 3.270 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.403 2.381 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.942 2.775 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.634 1.082 1.117 1.00 0.00 H new ATOM 749 N ARG A 47 48.642 1.689 -0.600 1.00 0.00 N ATOM 750 CA ARG A 47 47.780 0.813 -1.439 1.00 0.00 C ATOM 751 C ARG A 47 48.587 0.247 -2.598 1.00 0.00 C ATOM 752 O ARG A 47 49.617 0.778 -2.962 1.00 0.00 O ATOM 753 CB ARG A 47 46.667 1.710 -1.968 1.00 0.00 C ATOM 754 CG ARG A 47 45.743 2.116 -0.824 1.00 0.00 C ATOM 755 CD ARG A 47 45.276 3.559 -1.025 1.00 0.00 C ATOM 756 NE ARG A 47 43.955 3.444 -1.704 1.00 0.00 N ATOM 757 CZ ARG A 47 43.529 4.410 -2.469 1.00 0.00 C ATOM 758 NH1 ARG A 47 44.000 4.541 -3.679 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.631 5.247 -2.025 1.00 0.00 N ATOM 0 H ARG A 47 48.948 2.554 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 47 47.384 -0.028 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.094 2.597 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.100 1.186 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.883 1.448 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.265 2.022 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.186 4.081 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.984 4.122 -1.632 1.00 0.00 H new ATOM 0 HE ARG A 47 43.384 2.610 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.702 3.887 -4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.666 5.297 -4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.262 5.145 -1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.298 6.003 -2.624 1.00 0.00 H new ATOM 773 N ASP A 48 48.123 -0.823 -3.180 1.00 0.00 N ATOM 774 CA ASP A 48 48.863 -1.429 -4.321 1.00 0.00 C ATOM 775 C ASP A 48 48.268 -0.956 -5.655 1.00 0.00 C ATOM 776 O ASP A 48 47.649 0.089 -5.731 1.00 0.00 O ATOM 777 CB ASP A 48 48.697 -2.943 -4.136 1.00 0.00 C ATOM 778 CG ASP A 48 47.218 -3.346 -4.246 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.367 -2.494 -4.040 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.963 -4.503 -4.537 1.00 0.00 O ATOM 0 H ASP A 48 47.263 -1.304 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 48 49.914 -1.141 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.280 -3.472 -4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.088 -3.240 -3.163 1.00 0.00 H new ATOM 785 N LYS A 49 48.457 -1.718 -6.705 1.00 0.00 N ATOM 786 CA LYS A 49 47.909 -1.316 -8.038 1.00 0.00 C ATOM 787 C LYS A 49 46.479 -1.845 -8.228 1.00 0.00 C ATOM 788 O LYS A 49 45.957 -1.840 -9.327 1.00 0.00 O ATOM 789 CB LYS A 49 48.854 -1.956 -9.059 1.00 0.00 C ATOM 790 CG LYS A 49 49.846 -0.909 -9.576 1.00 0.00 C ATOM 791 CD LYS A 49 49.361 -0.358 -10.920 1.00 0.00 C ATOM 792 CE LYS A 49 48.596 0.949 -10.694 1.00 0.00 C ATOM 793 NZ LYS A 49 47.459 0.899 -11.653 1.00 0.00 N ATOM 0 H LYS A 49 48.967 -2.601 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 49 47.854 -0.233 -8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.393 -2.785 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.281 -2.369 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.944 -0.099 -8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.834 -1.355 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.210 -0.184 -11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.718 -1.087 -11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.242 1.027 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.231 1.815 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 46.887 1.762 -11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.826 0.832 -12.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.868 0.068 -11.448 1.00 0.00 H new ATOM 807 N ASN A 50 45.842 -2.295 -7.173 1.00 0.00 N ATOM 808 CA ASN A 50 44.454 -2.816 -7.298 1.00 0.00 C ATOM 809 C ASN A 50 43.453 -1.782 -6.774 1.00 0.00 C ATOM 810 O ASN A 50 42.311 -1.744 -7.192 1.00 0.00 O ATOM 811 CB ASN A 50 44.424 -4.078 -6.436 1.00 0.00 C ATOM 812 CG ASN A 50 45.359 -5.129 -7.037 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.308 -4.797 -7.718 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.131 -6.395 -6.811 1.00 0.00 N ATOM 0 H ASN A 50 46.230 -2.322 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 50 44.183 -3.025 -8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.731 -3.843 -5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.408 -4.469 -6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.750 -7.103 -7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 50 44.334 -6.676 -6.239 1.00 0.00 H new ATOM 821 N GLY A 51 43.876 -0.946 -5.859 1.00 0.00 N ATOM 822 CA GLY A 51 42.959 0.089 -5.298 1.00 0.00 C ATOM 823 C GLY A 51 42.600 -0.278 -3.856 1.00 0.00 C ATOM 824 O GLY A 51 41.536 0.058 -3.370 1.00 0.00 O ATOM 0 H GLY A 51 44.821 -0.937 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.437 1.068 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.055 0.157 -5.904 1.00 0.00 H new ATOM 828 N GLN A 52 43.478 -0.970 -3.173 1.00 0.00 N ATOM 829 CA GLN A 52 43.195 -1.366 -1.764 1.00 0.00 C ATOM 830 C GLN A 52 44.366 -0.982 -0.856 1.00 0.00 C ATOM 831 O GLN A 52 45.520 -1.135 -1.219 1.00 0.00 O ATOM 832 CB GLN A 52 43.031 -2.883 -1.814 1.00 0.00 C ATOM 833 CG GLN A 52 41.562 -3.232 -2.060 1.00 0.00 C ATOM 834 CD GLN A 52 41.472 -4.545 -2.839 1.00 0.00 C ATOM 835 OE1 GLN A 52 40.719 -4.652 -3.787 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.214 -5.556 -2.479 1.00 0.00 N ATOM 0 H GLN A 52 44.381 -1.277 -3.534 1.00 0.00 H new ATOM 0 HA GLN A 52 42.312 -0.869 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.652 -3.300 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.369 -3.327 -0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.035 -3.324 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.076 -2.432 -2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 52 42.846 -5.467 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 52 42.162 -6.435 -2.993 1.00 0.00 H new ATOM 845 N GLU A 53 44.072 -0.491 0.323 1.00 0.00 N ATOM 846 CA GLU A 53 45.156 -0.095 1.277 1.00 0.00 C ATOM 847 C GLU A 53 45.404 -1.222 2.284 1.00 0.00 C ATOM 848 O GLU A 53 44.527 -2.024 2.548 1.00 0.00 O ATOM 849 CB GLU A 53 44.632 1.160 1.994 1.00 0.00 C ATOM 850 CG GLU A 53 43.313 0.849 2.718 1.00 0.00 C ATOM 851 CD GLU A 53 43.314 1.508 4.099 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.192 2.721 4.156 1.00 0.00 O ATOM 853 OE2 GLU A 53 43.436 0.789 5.077 1.00 0.00 O ATOM 0 H GLU A 53 43.123 -0.347 0.668 1.00 0.00 H new ATOM 0 HA GLU A 53 46.100 0.097 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.373 1.514 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.478 1.962 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.470 1.214 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.188 -0.229 2.819 1.00 0.00 H new ATOM 860 N GLY A 54 46.583 -1.287 2.856 1.00 0.00 N ATOM 861 CA GLY A 54 46.863 -2.364 3.854 1.00 0.00 C ATOM 862 C GLY A 54 48.123 -2.017 4.641 1.00 0.00 C ATOM 863 O GLY A 54 48.171 -1.014 5.325 1.00 0.00 O ATOM 0 H GLY A 54 47.356 -0.646 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.017 -2.474 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 54 46.991 -3.320 3.346 1.00 0.00 H new ATOM 867 N TYR A 55 49.144 -2.834 4.551 1.00 0.00 N ATOM 868 CA TYR A 55 50.398 -2.534 5.295 1.00 0.00 C ATOM 869 C TYR A 55 51.624 -2.712 4.392 1.00 0.00 C ATOM 870 O TYR A 55 51.703 -3.637 3.607 1.00 0.00 O ATOM 871 CB TYR A 55 50.439 -3.516 6.465 1.00 0.00 C ATOM 872 CG TYR A 55 49.743 -2.908 7.658 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.413 -1.973 8.457 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.427 -3.275 7.965 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.768 -1.407 9.563 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.782 -2.709 9.072 1.00 0.00 C ATOM 877 CZ TYR A 55 48.453 -1.775 9.870 1.00 0.00 C ATOM 878 OH TYR A 55 47.817 -1.217 10.960 1.00 0.00 O ATOM 0 H TYR A 55 49.160 -3.690 3.997 1.00 0.00 H new ATOM 0 HA TYR A 55 50.415 -1.501 5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.954 -4.451 6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.472 -3.755 6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.428 -1.689 8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.909 -3.995 7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.285 -0.686 10.179 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.768 -2.993 9.310 1.00 0.00 H new ATOM 0 HH TYR A 55 46.909 -1.580 11.030 1.00 0.00 H new ATOM 888 N ILE A 56 52.569 -1.813 4.492 1.00 0.00 N ATOM 889 CA ILE A 56 53.797 -1.889 3.643 1.00 0.00 C ATOM 890 C ILE A 56 55.041 -1.579 4.516 1.00 0.00 C ATOM 891 O ILE A 56 55.256 -0.433 4.857 1.00 0.00 O ATOM 892 CB ILE A 56 53.579 -0.793 2.574 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.606 -1.308 1.515 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.891 -0.416 1.881 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.170 -1.090 1.985 1.00 0.00 C ATOM 0 H ILE A 56 52.542 -1.020 5.133 1.00 0.00 H new ATOM 0 HA ILE A 56 53.961 -2.869 3.194 1.00 0.00 H new ATOM 0 HB ILE A 56 53.181 0.089 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.773 -0.789 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.782 -2.368 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.700 0.357 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.598 -0.040 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.310 -1.296 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.479 -1.459 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.007 -1.630 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 56 50.998 -0.026 2.146 1.00 0.00 H new ATOM 907 N PRO A 57 55.840 -2.586 4.851 1.00 0.00 N ATOM 908 CA PRO A 57 57.050 -2.330 5.675 1.00 0.00 C ATOM 909 C PRO A 57 57.979 -1.339 4.962 1.00 0.00 C ATOM 910 O PRO A 57 58.305 -1.504 3.802 1.00 0.00 O ATOM 911 CB PRO A 57 57.688 -3.719 5.787 1.00 0.00 C ATOM 912 CG PRO A 57 56.814 -4.729 5.021 1.00 0.00 C ATOM 913 CD PRO A 57 55.596 -3.997 4.445 1.00 0.00 C ATOM 0 HA PRO A 57 56.837 -1.886 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.697 -3.705 5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.774 -4.012 6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.389 -5.193 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.492 -5.530 5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.535 -4.102 3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.662 -4.381 4.855 1.00 0.00 H new ATOM 921 N SER A 58 58.390 -0.300 5.648 1.00 0.00 N ATOM 922 CA SER A 58 59.284 0.730 5.021 1.00 0.00 C ATOM 923 C SER A 58 60.520 0.090 4.377 1.00 0.00 C ATOM 924 O SER A 58 60.846 0.363 3.238 1.00 0.00 O ATOM 925 CB SER A 58 59.705 1.643 6.173 1.00 0.00 C ATOM 926 OG SER A 58 60.722 2.529 5.721 1.00 0.00 O ATOM 0 H SER A 58 58.144 -0.118 6.621 1.00 0.00 H new ATOM 0 HA SER A 58 58.769 1.267 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.847 2.210 6.536 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.070 1.048 7.010 1.00 0.00 H new ATOM 0 HG SER A 58 60.400 3.024 4.939 1.00 0.00 H new ATOM 932 N ASN A 59 61.215 -0.745 5.105 1.00 0.00 N ATOM 933 CA ASN A 59 62.443 -1.394 4.547 1.00 0.00 C ATOM 934 C ASN A 59 62.104 -2.214 3.300 1.00 0.00 C ATOM 935 O ASN A 59 62.842 -2.236 2.333 1.00 0.00 O ATOM 936 CB ASN A 59 62.965 -2.289 5.684 1.00 0.00 C ATOM 937 CG ASN A 59 62.031 -3.485 5.923 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.826 -3.341 5.908 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.546 -4.664 6.143 1.00 0.00 N ATOM 0 H ASN A 59 60.986 -1.007 6.064 1.00 0.00 H new ATOM 0 HA ASN A 59 63.190 -0.666 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.964 -2.648 5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.053 -1.704 6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.936 -5.465 6.303 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.559 -4.784 6.155 1.00 0.00 H new ATOM 946 N TYR A 60 60.997 -2.896 3.337 1.00 0.00 N ATOM 947 CA TYR A 60 60.588 -3.742 2.173 1.00 0.00 C ATOM 948 C TYR A 60 60.416 -2.895 0.906 1.00 0.00 C ATOM 949 O TYR A 60 60.761 -3.327 -0.178 1.00 0.00 O ATOM 950 CB TYR A 60 59.252 -4.374 2.578 1.00 0.00 C ATOM 951 CG TYR A 60 59.481 -5.793 3.045 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.399 -6.055 4.070 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.775 -6.848 2.454 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.610 -7.368 4.503 1.00 0.00 C ATOM 955 CE2 TYR A 60 58.986 -8.162 2.887 1.00 0.00 C ATOM 956 CZ TYR A 60 59.904 -8.423 3.911 1.00 0.00 C ATOM 957 OH TYR A 60 60.112 -9.719 4.338 1.00 0.00 O ATOM 0 H TYR A 60 60.350 -2.907 4.126 1.00 0.00 H new ATOM 0 HA TYR A 60 61.344 -4.493 1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.788 -3.790 3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.564 -4.366 1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.944 -5.242 4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.067 -6.648 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.317 -7.569 5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.440 -8.975 2.431 1.00 0.00 H new ATOM 0 HH TYR A 60 59.542 -10.328 3.824 1.00 0.00 H new ATOM 967 N VAL A 61 59.885 -1.701 1.024 1.00 0.00 N ATOM 968 CA VAL A 61 59.697 -0.849 -0.194 1.00 0.00 C ATOM 969 C VAL A 61 60.739 0.270 -0.253 1.00 0.00 C ATOM 970 O VAL A 61 61.477 0.502 0.686 1.00 0.00 O ATOM 971 CB VAL A 61 58.290 -0.254 -0.090 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.256 -1.380 -0.125 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.149 0.527 1.219 1.00 0.00 C ATOM 0 H VAL A 61 59.576 -1.283 1.902 1.00 0.00 H new ATOM 0 HA VAL A 61 59.818 -1.442 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 61 58.125 0.421 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.254 -0.957 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.349 -1.930 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.427 -2.057 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.145 0.947 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.319 -0.142 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.882 1.333 1.242 1.00 0.00 H new ATOM 983 N THR A 62 60.790 0.965 -1.358 1.00 0.00 N ATOM 984 CA THR A 62 61.764 2.084 -1.516 1.00 0.00 C ATOM 985 C THR A 62 61.114 3.199 -2.361 1.00 0.00 C ATOM 986 O THR A 62 59.999 3.594 -2.090 1.00 0.00 O ATOM 987 CB THR A 62 62.985 1.450 -2.204 1.00 0.00 C ATOM 988 OG1 THR A 62 63.974 2.447 -2.415 1.00 0.00 O ATOM 989 CG2 THR A 62 62.581 0.842 -3.552 1.00 0.00 C ATOM 0 H THR A 62 60.191 0.803 -2.167 1.00 0.00 H new ATOM 0 HA THR A 62 62.061 2.549 -0.576 1.00 0.00 H new ATOM 0 HB THR A 62 63.382 0.661 -1.565 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.754 2.046 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.455 0.397 -4.027 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.824 0.074 -3.393 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.176 1.622 -4.196 1.00 0.00 H new ATOM 997 N GLU A 63 61.780 3.712 -3.373 1.00 0.00 N ATOM 998 CA GLU A 63 61.162 4.790 -4.204 1.00 0.00 C ATOM 999 C GLU A 63 60.431 4.175 -5.401 1.00 0.00 C ATOM 1000 O GLU A 63 60.925 3.268 -6.041 1.00 0.00 O ATOM 1001 CB GLU A 63 62.332 5.656 -4.672 1.00 0.00 C ATOM 1002 CG GLU A 63 63.006 6.302 -3.460 1.00 0.00 C ATOM 1003 CD GLU A 63 64.335 6.928 -3.888 1.00 0.00 C ATOM 1004 OE1 GLU A 63 65.037 6.304 -4.665 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.626 8.021 -3.430 1.00 0.00 O ATOM 0 H GLU A 63 62.719 3.430 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 63 60.428 5.372 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.052 5.048 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 63 61.977 6.426 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.355 7.064 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.177 5.555 -2.685 1.00 0.00 H new ATOM 1012 N ALA A 64 59.251 4.663 -5.704 1.00 0.00 N ATOM 1013 CA ALA A 64 58.465 4.107 -6.857 1.00 0.00 C ATOM 1014 C ALA A 64 59.323 4.045 -8.129 1.00 0.00 C ATOM 1015 O ALA A 64 59.115 3.206 -8.987 1.00 0.00 O ATOM 1016 CB ALA A 64 57.298 5.076 -7.052 1.00 0.00 C ATOM 0 H ALA A 64 58.795 5.425 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 64 58.128 3.090 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.677 4.735 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.700 5.114 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.684 6.071 -7.274 1.00 0.00 H new