USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -155:sc= -1.21! USER MOD Single : A 18 MET CE :methyl -160:sc= -0.0804 (180deg=-0.563) USER MOD Single : A 20 MET CE :methyl -175:sc= 0 (180deg=-0.0206) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 23 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.3!) 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 60:sc= -3.09! USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0342 (180deg=-0.168) USER MOD Single : A 50 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.1!) USER MOD Single : A 52 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.28) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 150:sc= -1.22 USER MOD Single : A 59 ASN : amide:sc= -1.84 K(o=-1.8,f=-7!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.947 7.581 -3.476 1.00 0.00 N ATOM 131 CA LYS A 10 54.864 6.127 -3.824 1.00 0.00 C ATOM 132 C LYS A 10 56.199 5.437 -3.517 1.00 0.00 C ATOM 133 O LYS A 10 57.151 6.076 -3.111 1.00 0.00 O ATOM 134 CB LYS A 10 54.542 6.072 -5.326 1.00 0.00 C ATOM 135 CG LYS A 10 55.514 6.952 -6.118 1.00 0.00 C ATOM 136 CD LYS A 10 54.960 8.376 -6.210 1.00 0.00 C ATOM 137 CE LYS A 10 55.352 8.990 -7.556 1.00 0.00 C ATOM 138 NZ LYS A 10 54.280 8.565 -8.499 1.00 0.00 N ATOM 0 HA LYS A 10 54.100 5.610 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.604 5.043 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.519 6.406 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.490 6.961 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.659 6.542 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.875 8.363 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.351 8.983 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.413 10.076 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 56.329 8.634 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 54.478 8.948 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.250 7.526 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.362 8.924 -8.166 1.00 0.00 H new ATOM 152 N VAL A 11 56.273 4.140 -3.706 1.00 0.00 N ATOM 153 CA VAL A 11 57.543 3.395 -3.416 1.00 0.00 C ATOM 154 C VAL A 11 57.569 2.082 -4.194 1.00 0.00 C ATOM 155 O VAL A 11 56.562 1.636 -4.702 1.00 0.00 O ATOM 156 CB VAL A 11 57.547 3.092 -1.907 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.859 4.366 -1.123 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.188 2.532 -1.466 1.00 0.00 C ATOM 0 H VAL A 11 55.506 3.562 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 11 58.412 3.984 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 11 58.315 2.345 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.860 4.145 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.838 4.743 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.101 5.120 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.210 2.324 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.407 3.263 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.980 1.611 -2.011 1.00 0.00 H new ATOM 168 N VAL A 12 58.714 1.459 -4.277 1.00 0.00 N ATOM 169 CA VAL A 12 58.819 0.167 -5.012 1.00 0.00 C ATOM 170 C VAL A 12 58.704 -0.993 -3.997 1.00 0.00 C ATOM 171 O VAL A 12 58.612 -0.775 -2.806 1.00 0.00 O ATOM 172 CB VAL A 12 60.215 0.256 -5.693 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.005 -1.060 -5.644 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.034 0.655 -7.155 1.00 0.00 C ATOM 0 H VAL A 12 59.585 1.792 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 12 58.038 -0.013 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 12 60.786 0.999 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.968 -0.925 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.167 -1.349 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.442 -1.841 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.009 0.719 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.426 -0.093 -7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.538 1.624 -7.209 1.00 0.00 H new ATOM 184 N ALA A 13 58.727 -2.215 -4.466 1.00 0.00 N ATOM 185 CA ALA A 13 58.643 -3.388 -3.545 1.00 0.00 C ATOM 186 C ALA A 13 59.885 -4.269 -3.716 1.00 0.00 C ATOM 187 O ALA A 13 60.353 -4.477 -4.819 1.00 0.00 O ATOM 188 CB ALA A 13 57.387 -4.145 -3.976 1.00 0.00 C ATOM 0 H ALA A 13 58.801 -2.451 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 13 58.596 -3.092 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.257 -5.023 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.518 -3.494 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.489 -4.458 -5.015 1.00 0.00 H new ATOM 194 N LEU A 14 60.422 -4.780 -2.637 1.00 0.00 N ATOM 195 CA LEU A 14 61.638 -5.642 -2.740 1.00 0.00 C ATOM 196 C LEU A 14 61.248 -7.120 -2.825 1.00 0.00 C ATOM 197 O LEU A 14 61.342 -7.735 -3.870 1.00 0.00 O ATOM 198 CB LEU A 14 62.435 -5.370 -1.464 1.00 0.00 C ATOM 199 CG LEU A 14 63.126 -4.009 -1.572 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.807 -3.675 -0.244 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.176 -4.056 -2.684 1.00 0.00 C ATOM 0 H LEU A 14 60.071 -4.638 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 14 62.217 -5.419 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.772 -5.385 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.176 -6.155 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 14 62.385 -3.244 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.299 -2.706 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.060 -3.641 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.548 -4.440 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.668 -3.086 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.917 -4.822 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.692 -4.293 -3.631 1.00 0.00 H new ATOM 213 N TYR A 15 60.818 -7.691 -1.731 1.00 0.00 N ATOM 214 CA TYR A 15 60.426 -9.133 -1.737 1.00 0.00 C ATOM 215 C TYR A 15 58.906 -9.278 -1.634 1.00 0.00 C ATOM 216 O TYR A 15 58.191 -8.313 -1.444 1.00 0.00 O ATOM 217 CB TYR A 15 61.102 -9.738 -0.506 1.00 0.00 C ATOM 218 CG TYR A 15 62.602 -9.611 -0.635 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.289 -10.366 -1.593 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.306 -8.739 0.205 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.679 -10.249 -1.712 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.696 -8.622 0.087 1.00 0.00 C ATOM 223 CZ TYR A 15 65.382 -9.377 -0.872 1.00 0.00 C ATOM 224 OH TYR A 15 66.752 -9.262 -0.989 1.00 0.00 O ATOM 0 H TYR A 15 60.721 -7.221 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 15 60.729 -9.632 -2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.760 -9.229 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.823 -10.787 -0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.747 -11.039 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.776 -8.157 0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.209 -10.831 -2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.239 -7.950 0.735 1.00 0.00 H new ATOM 0 HH TYR A 15 67.083 -8.614 -0.332 1.00 0.00 H new ATOM 234 N ASP A 16 58.413 -10.484 -1.759 1.00 0.00 N ATOM 235 CA ASP A 16 56.938 -10.713 -1.671 1.00 0.00 C ATOM 236 C ASP A 16 56.453 -10.533 -0.229 1.00 0.00 C ATOM 237 O ASP A 16 57.203 -10.704 0.713 1.00 0.00 O ATOM 238 CB ASP A 16 56.727 -12.158 -2.130 1.00 0.00 C ATOM 239 CG ASP A 16 56.730 -12.214 -3.659 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.611 -11.615 -4.252 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.849 -12.856 -4.209 1.00 0.00 O ATOM 0 H ASP A 16 58.970 -11.323 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 16 56.379 -10.005 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.515 -12.796 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.782 -12.539 -1.743 1.00 0.00 H new ATOM 246 N TYR A 17 55.203 -10.183 -0.058 1.00 0.00 N ATOM 247 CA TYR A 17 54.652 -9.982 1.314 1.00 0.00 C ATOM 248 C TYR A 17 53.116 -9.993 1.252 1.00 0.00 C ATOM 249 O TYR A 17 52.467 -8.989 1.471 1.00 0.00 O ATOM 250 CB TYR A 17 55.205 -8.614 1.741 1.00 0.00 C ATOM 251 CG TYR A 17 54.560 -8.142 3.027 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.855 -8.778 4.237 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.674 -7.059 3.003 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.263 -8.330 5.424 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.080 -6.612 4.188 1.00 0.00 C ATOM 256 CZ TYR A 17 53.374 -7.246 5.400 1.00 0.00 C ATOM 257 OH TYR A 17 52.791 -6.802 6.570 1.00 0.00 O ATOM 0 H TYR A 17 54.538 -10.027 -0.815 1.00 0.00 H new ATOM 0 HA TYR A 17 54.933 -10.761 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.285 -8.681 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.026 -7.884 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.539 -9.614 4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.448 -6.568 2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.491 -8.820 6.359 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.395 -5.778 4.167 1.00 0.00 H new ATOM 0 HH TYR A 17 51.946 -6.350 6.364 1.00 0.00 H new ATOM 267 N MET A 18 52.541 -11.130 0.948 1.00 0.00 N ATOM 268 CA MET A 18 51.050 -11.231 0.861 1.00 0.00 C ATOM 269 C MET A 18 50.404 -10.943 2.229 1.00 0.00 C ATOM 270 O MET A 18 51.072 -11.004 3.242 1.00 0.00 O ATOM 271 CB MET A 18 50.762 -12.671 0.419 1.00 0.00 C ATOM 272 CG MET A 18 51.352 -13.660 1.431 1.00 0.00 C ATOM 273 SD MET A 18 50.610 -15.291 1.183 1.00 0.00 S ATOM 274 CE MET A 18 49.934 -15.490 2.850 1.00 0.00 C ATOM 0 H MET A 18 53.042 -11.997 0.755 1.00 0.00 H new ATOM 0 HA MET A 18 50.637 -10.504 0.162 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.686 -12.825 0.333 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.190 -12.849 -0.568 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.434 -13.719 1.310 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.163 -13.313 2.447 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.744 -16.546 3.042 1.00 0.00 H new ATOM 0 HE2 MET A 18 50.649 -15.111 3.580 1.00 0.00 H new ATOM 0 HE3 MET A 18 49.001 -14.933 2.933 1.00 0.00 H new ATOM 284 N PRO A 19 49.118 -10.629 2.224 1.00 0.00 N ATOM 285 CA PRO A 19 48.412 -10.326 3.492 1.00 0.00 C ATOM 286 C PRO A 19 48.317 -11.573 4.377 1.00 0.00 C ATOM 287 O PRO A 19 48.392 -12.690 3.901 1.00 0.00 O ATOM 288 CB PRO A 19 47.025 -9.883 3.011 1.00 0.00 C ATOM 289 CG PRO A 19 46.991 -9.951 1.473 1.00 0.00 C ATOM 290 CD PRO A 19 48.307 -10.551 0.978 1.00 0.00 C ATOM 0 HA PRO A 19 48.917 -9.575 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.255 -10.527 3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.814 -8.869 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.150 -10.559 1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.849 -8.955 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.161 -11.533 0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.781 -9.922 0.225 1.00 0.00 H new ATOM 298 N MET A 20 48.143 -11.383 5.659 1.00 0.00 N ATOM 299 CA MET A 20 48.030 -12.545 6.591 1.00 0.00 C ATOM 300 C MET A 20 46.579 -12.692 7.052 1.00 0.00 C ATOM 301 O MET A 20 45.964 -13.728 6.883 1.00 0.00 O ATOM 302 CB MET A 20 48.935 -12.201 7.775 1.00 0.00 C ATOM 303 CG MET A 20 50.373 -12.011 7.288 1.00 0.00 C ATOM 304 SD MET A 20 51.527 -12.471 8.605 1.00 0.00 S ATOM 305 CE MET A 20 52.730 -11.148 8.324 1.00 0.00 C ATOM 0 H MET A 20 48.074 -10.467 6.103 1.00 0.00 H new ATOM 0 HA MET A 20 48.322 -13.485 6.123 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.583 -11.292 8.262 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.895 -12.997 8.519 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.552 -12.623 6.404 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.534 -10.973 6.995 1.00 0.00 H new ATOM 0 HE1 MET A 20 53.588 -11.291 8.981 1.00 0.00 H new ATOM 0 HE2 MET A 20 53.060 -11.171 7.285 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.267 -10.184 8.537 1.00 0.00 H new ATOM 315 N ASN A 21 46.030 -11.652 7.625 1.00 0.00 N ATOM 316 CA ASN A 21 44.614 -11.708 8.097 1.00 0.00 C ATOM 317 C ASN A 21 43.736 -10.822 7.207 1.00 0.00 C ATOM 318 O ASN A 21 43.011 -11.307 6.359 1.00 0.00 O ATOM 319 CB ASN A 21 44.651 -11.177 9.532 1.00 0.00 C ATOM 320 CG ASN A 21 44.998 -12.319 10.490 1.00 0.00 C ATOM 321 OD1 ASN A 21 44.207 -13.219 10.690 1.00 0.00 O ATOM 322 ND2 ASN A 21 46.154 -12.319 11.094 1.00 0.00 N ATOM 0 H ASN A 21 46.503 -10.763 7.787 1.00 0.00 H new ATOM 0 HA ASN A 21 44.197 -12.714 8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.389 -10.380 9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.685 -10.747 9.797 1.00 0.00 H new ATOM 0 HD21 ASN A 21 46.395 -13.075 11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 21 46.818 -11.563 10.925 1.00 0.00 H new ATOM 329 N ALA A 22 43.803 -9.528 7.392 1.00 0.00 N ATOM 330 CA ALA A 22 42.980 -8.602 6.555 1.00 0.00 C ATOM 331 C ALA A 22 43.507 -7.166 6.665 1.00 0.00 C ATOM 332 O ALA A 22 42.770 -6.211 6.507 1.00 0.00 O ATOM 333 CB ALA A 22 41.565 -8.700 7.126 1.00 0.00 C ATOM 0 H ALA A 22 44.393 -9.072 8.088 1.00 0.00 H new ATOM 0 HA ALA A 22 43.013 -8.868 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.899 -8.046 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.213 -9.729 7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.573 -8.395 8.172 1.00 0.00 H new ATOM 339 N ASN A 23 44.780 -7.013 6.920 1.00 0.00 N ATOM 340 CA ASN A 23 45.376 -5.647 7.029 1.00 0.00 C ATOM 341 C ASN A 23 46.542 -5.505 6.075 1.00 0.00 C ATOM 342 O ASN A 23 46.607 -4.594 5.272 1.00 0.00 O ATOM 343 CB ASN A 23 45.912 -5.538 8.447 1.00 0.00 C ATOM 344 CG ASN A 23 44.851 -4.923 9.360 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.115 -4.045 8.951 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.738 -5.348 10.589 1.00 0.00 N ATOM 0 H ASN A 23 45.437 -7.781 7.058 1.00 0.00 H new ATOM 0 HA ASN A 23 44.636 -4.882 6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.193 -6.525 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.813 -4.925 8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 23 44.033 -4.944 11.206 1.00 0.00 H new ATOM 0 HD22 ASN A 23 45.355 -6.084 10.933 1.00 0.00 H new ATOM 353 N ASP A 24 47.489 -6.392 6.201 1.00 0.00 N ATOM 354 CA ASP A 24 48.709 -6.331 5.354 1.00 0.00 C ATOM 355 C ASP A 24 48.354 -6.152 3.870 1.00 0.00 C ATOM 356 O ASP A 24 47.376 -6.693 3.389 1.00 0.00 O ATOM 357 CB ASP A 24 49.426 -7.663 5.592 1.00 0.00 C ATOM 358 CG ASP A 24 50.192 -7.617 6.921 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.465 -6.525 7.396 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.494 -8.678 7.440 1.00 0.00 O ATOM 0 H ASP A 24 47.468 -7.166 6.864 1.00 0.00 H new ATOM 0 HA ASP A 24 49.336 -5.478 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.702 -8.477 5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.115 -7.866 4.772 1.00 0.00 H new ATOM 365 N LEU A 25 49.135 -5.387 3.156 1.00 0.00 N ATOM 366 CA LEU A 25 48.850 -5.151 1.713 1.00 0.00 C ATOM 367 C LEU A 25 49.530 -6.228 0.863 1.00 0.00 C ATOM 368 O LEU A 25 50.557 -6.765 1.233 1.00 0.00 O ATOM 369 CB LEU A 25 49.435 -3.765 1.426 1.00 0.00 C ATOM 370 CG LEU A 25 49.121 -3.358 -0.020 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.641 -2.980 -0.140 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.978 -2.153 -0.414 1.00 0.00 C ATOM 0 H LEU A 25 49.964 -4.912 3.514 1.00 0.00 H new ATOM 0 HA LEU A 25 47.787 -5.196 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.018 -3.034 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.513 -3.775 1.585 1.00 0.00 H new ATOM 0 HG LEU A 25 49.340 -4.196 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.421 -2.691 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.024 -3.835 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.424 -2.145 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.753 -1.867 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.760 -1.318 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.033 -2.415 -0.334 1.00 0.00 H new ATOM 384 N GLN A 26 48.955 -6.557 -0.267 1.00 0.00 N ATOM 385 CA GLN A 26 49.556 -7.611 -1.141 1.00 0.00 C ATOM 386 C GLN A 26 50.740 -7.049 -1.929 1.00 0.00 C ATOM 387 O GLN A 26 50.614 -6.690 -3.085 1.00 0.00 O ATOM 388 CB GLN A 26 48.432 -8.032 -2.091 1.00 0.00 C ATOM 389 CG GLN A 26 48.690 -9.454 -2.590 1.00 0.00 C ATOM 390 CD GLN A 26 47.398 -10.036 -3.167 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.826 -10.949 -2.608 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.911 -9.540 -4.273 1.00 0.00 N ATOM 0 H GLN A 26 48.094 -6.141 -0.622 1.00 0.00 H new ATOM 0 HA GLN A 26 49.937 -8.451 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.471 -7.984 -1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.378 -7.344 -2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.470 -9.447 -3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.049 -10.078 -1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.392 -8.773 -4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.050 -9.920 -4.667 1.00 0.00 H new ATOM 401 N LEU A 27 51.890 -6.975 -1.309 1.00 0.00 N ATOM 402 CA LEU A 27 53.092 -6.443 -2.011 1.00 0.00 C ATOM 403 C LEU A 27 53.702 -7.522 -2.914 1.00 0.00 C ATOM 404 O LEU A 27 53.113 -8.561 -3.144 1.00 0.00 O ATOM 405 CB LEU A 27 54.059 -6.054 -0.889 1.00 0.00 C ATOM 406 CG LEU A 27 53.811 -4.601 -0.489 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.872 -4.550 0.718 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.142 -3.932 -0.132 1.00 0.00 C ATOM 0 H LEU A 27 52.047 -7.262 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 27 52.858 -5.596 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.918 -6.709 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.089 -6.181 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 27 53.352 -4.072 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.698 -3.512 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.923 -5.020 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.325 -5.082 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.963 -2.895 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.604 -4.463 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.807 -3.961 -0.995 1.00 0.00 H new ATOM 420 N ARG A 28 54.876 -7.271 -3.432 1.00 0.00 N ATOM 421 CA ARG A 28 55.544 -8.256 -4.335 1.00 0.00 C ATOM 422 C ARG A 28 56.985 -7.811 -4.596 1.00 0.00 C ATOM 423 O ARG A 28 57.538 -7.017 -3.859 1.00 0.00 O ATOM 424 CB ARG A 28 54.724 -8.231 -5.635 1.00 0.00 C ATOM 425 CG ARG A 28 54.034 -9.582 -5.840 1.00 0.00 C ATOM 426 CD ARG A 28 53.252 -9.561 -7.156 1.00 0.00 C ATOM 427 NE ARG A 28 54.162 -10.193 -8.152 1.00 0.00 N ATOM 428 CZ ARG A 28 54.049 -11.463 -8.427 1.00 0.00 C ATOM 429 NH1 ARG A 28 53.255 -11.854 -9.387 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.728 -12.343 -7.744 1.00 0.00 N ATOM 0 H ARG A 28 55.407 -6.416 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 28 55.585 -9.258 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.980 -7.436 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.375 -8.013 -6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.774 -10.382 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 28 53.361 -9.789 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.317 -10.114 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.994 -8.542 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 28 54.874 -9.632 -8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.724 -11.166 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 28 53.166 -12.847 -9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 28 55.348 -12.038 -6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 28 54.639 -13.336 -7.960 1.00 0.00 H new ATOM 444 N LYS A 29 57.594 -8.315 -5.639 1.00 0.00 N ATOM 445 CA LYS A 29 58.994 -7.920 -5.952 1.00 0.00 C ATOM 446 C LYS A 29 59.055 -7.201 -7.302 1.00 0.00 C ATOM 447 O LYS A 29 58.670 -7.737 -8.323 1.00 0.00 O ATOM 448 CB LYS A 29 59.780 -9.236 -5.981 1.00 0.00 C ATOM 449 CG LYS A 29 61.250 -8.959 -6.323 1.00 0.00 C ATOM 450 CD LYS A 29 61.492 -9.225 -7.811 1.00 0.00 C ATOM 451 CE LYS A 29 62.996 -9.242 -8.089 1.00 0.00 C ATOM 452 NZ LYS A 29 63.391 -10.673 -7.979 1.00 0.00 N ATOM 0 H LYS A 29 57.178 -8.984 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 29 59.406 -7.226 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.710 -9.733 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.347 -9.912 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.501 -7.926 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.900 -9.593 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.048 -10.178 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.009 -8.455 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.219 -8.846 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.537 -8.627 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.411 -10.766 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.173 -11.021 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 62.865 -11.233 -8.680 1.00 0.00 H new ATOM 466 N GLY A 30 59.533 -5.982 -7.302 1.00 0.00 N ATOM 467 CA GLY A 30 59.621 -5.201 -8.570 1.00 0.00 C ATOM 468 C GLY A 30 58.388 -4.304 -8.707 1.00 0.00 C ATOM 469 O GLY A 30 58.422 -3.294 -9.386 1.00 0.00 O ATOM 0 H GLY A 30 59.868 -5.493 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.527 -4.594 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.687 -5.878 -9.422 1.00 0.00 H new ATOM 473 N ASP A 31 57.300 -4.660 -8.066 1.00 0.00 N ATOM 474 CA ASP A 31 56.068 -3.824 -8.156 1.00 0.00 C ATOM 475 C ASP A 31 56.206 -2.605 -7.243 1.00 0.00 C ATOM 476 O ASP A 31 57.006 -2.601 -6.332 1.00 0.00 O ATOM 477 CB ASP A 31 54.931 -4.728 -7.680 1.00 0.00 C ATOM 478 CG ASP A 31 54.390 -5.535 -8.862 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.195 -6.035 -9.630 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.179 -5.640 -8.979 1.00 0.00 O ATOM 0 H ASP A 31 57.215 -5.494 -7.485 1.00 0.00 H new ATOM 0 HA ASP A 31 55.888 -3.454 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.289 -5.401 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.134 -4.127 -7.241 1.00 0.00 H new ATOM 485 N GLU A 32 55.436 -1.573 -7.477 1.00 0.00 N ATOM 486 CA GLU A 32 55.529 -0.354 -6.610 1.00 0.00 C ATOM 487 C GLU A 32 54.136 -0.019 -6.069 1.00 0.00 C ATOM 488 O GLU A 32 53.158 -0.627 -6.468 1.00 0.00 O ATOM 489 CB GLU A 32 56.063 0.778 -7.508 1.00 0.00 C ATOM 490 CG GLU A 32 57.246 0.296 -8.360 1.00 0.00 C ATOM 491 CD GLU A 32 56.723 -0.305 -9.667 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.336 0.460 -10.534 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.720 -1.520 -9.777 1.00 0.00 O ATOM 0 H GLU A 32 54.748 -1.519 -8.228 1.00 0.00 H new ATOM 0 HA GLU A 32 56.190 -0.502 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.265 1.138 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.375 1.620 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.917 1.128 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.824 -0.447 -7.811 1.00 0.00 H new ATOM 500 N TYR A 33 54.030 0.903 -5.138 1.00 0.00 N ATOM 501 CA TYR A 33 52.690 1.212 -4.555 1.00 0.00 C ATOM 502 C TYR A 33 52.493 2.711 -4.337 1.00 0.00 C ATOM 503 O TYR A 33 53.271 3.534 -4.776 1.00 0.00 O ATOM 504 CB TYR A 33 52.679 0.514 -3.194 1.00 0.00 C ATOM 505 CG TYR A 33 53.211 -0.894 -3.307 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.536 -1.838 -4.085 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.394 -1.240 -2.649 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.046 -3.132 -4.206 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.902 -2.532 -2.766 1.00 0.00 C ATOM 510 CZ TYR A 33 54.229 -3.479 -3.546 1.00 0.00 C ATOM 511 OH TYR A 33 54.734 -4.751 -3.667 1.00 0.00 O ATOM 0 H TYR A 33 54.806 1.447 -4.762 1.00 0.00 H new ATOM 0 HA TYR A 33 51.896 0.880 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.284 1.080 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.663 0.493 -2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.622 -1.567 -4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.914 -0.507 -2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.528 -3.864 -4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.814 -2.802 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 33 54.924 -4.939 -4.610 1.00 0.00 H new ATOM 521 N PHE A 34 51.449 3.048 -3.627 1.00 0.00 N ATOM 522 CA PHE A 34 51.152 4.476 -3.319 1.00 0.00 C ATOM 523 C PHE A 34 51.196 4.689 -1.807 1.00 0.00 C ATOM 524 O PHE A 34 50.541 3.991 -1.060 1.00 0.00 O ATOM 525 CB PHE A 34 49.739 4.713 -3.845 1.00 0.00 C ATOM 526 CG PHE A 34 49.804 5.192 -5.275 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.380 6.434 -5.571 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.287 4.397 -6.305 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.440 6.880 -6.897 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.347 4.843 -7.630 1.00 0.00 C ATOM 531 CZ PHE A 34 49.924 6.083 -7.927 1.00 0.00 C ATOM 0 H PHE A 34 50.779 2.382 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 34 51.871 5.159 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.159 3.792 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.229 5.452 -3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.778 7.048 -4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 34 48.842 3.440 -6.077 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.884 7.838 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 34 48.948 4.230 -8.424 1.00 0.00 H new ATOM 0 HZ PHE A 34 49.971 6.425 -8.950 1.00 0.00 H new ATOM 541 N ILE A 35 51.971 5.637 -1.353 1.00 0.00 N ATOM 542 CA ILE A 35 52.074 5.878 0.118 1.00 0.00 C ATOM 543 C ILE A 35 51.153 7.011 0.571 1.00 0.00 C ATOM 544 O ILE A 35 51.312 8.152 0.182 1.00 0.00 O ATOM 545 CB ILE A 35 53.541 6.257 0.363 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.475 5.149 -0.147 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.780 6.473 1.863 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.165 3.820 0.553 1.00 0.00 C ATOM 0 H ILE A 35 52.537 6.255 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 35 51.771 4.996 0.682 1.00 0.00 H new ATOM 0 HB ILE A 35 53.755 7.179 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.359 5.035 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.513 5.428 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.823 6.742 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.136 7.276 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.551 5.555 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.836 3.047 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.305 3.934 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.133 3.534 0.350 1.00 0.00 H new ATOM 560 N LEU A 36 50.216 6.698 1.425 1.00 0.00 N ATOM 561 CA LEU A 36 49.295 7.741 1.961 1.00 0.00 C ATOM 562 C LEU A 36 49.891 8.296 3.260 1.00 0.00 C ATOM 563 O LEU A 36 49.724 9.453 3.596 1.00 0.00 O ATOM 564 CB LEU A 36 47.982 7.007 2.237 1.00 0.00 C ATOM 565 CG LEU A 36 47.351 6.566 0.915 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.875 5.180 0.537 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.830 6.508 1.071 1.00 0.00 C ATOM 0 H LEU A 36 50.048 5.756 1.777 1.00 0.00 H new ATOM 0 HA LEU A 36 49.144 8.577 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.165 6.140 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.297 7.659 2.779 1.00 0.00 H new ATOM 0 HG LEU A 36 47.611 7.280 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.426 4.866 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.959 5.218 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.615 4.467 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.379 6.194 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.571 5.794 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.454 7.495 1.342 1.00 0.00 H new ATOM 579 N GLU A 37 50.598 7.464 3.980 1.00 0.00 N ATOM 580 CA GLU A 37 51.239 7.892 5.257 1.00 0.00 C ATOM 581 C GLU A 37 52.160 6.768 5.736 1.00 0.00 C ATOM 582 O GLU A 37 52.078 5.656 5.248 1.00 0.00 O ATOM 583 CB GLU A 37 50.085 8.102 6.239 1.00 0.00 C ATOM 584 CG GLU A 37 50.380 9.314 7.124 1.00 0.00 C ATOM 585 CD GLU A 37 49.066 9.910 7.632 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.469 10.685 6.902 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.679 9.582 8.741 1.00 0.00 O ATOM 0 H GLU A 37 50.760 6.488 3.731 1.00 0.00 H new ATOM 0 HA GLU A 37 51.836 8.798 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.153 8.255 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.952 7.213 6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.007 9.019 7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.936 10.062 6.560 1.00 0.00 H new ATOM 653 N PRO A 42 57.921 1.877 10.944 1.00 0.00 N ATOM 654 CA PRO A 42 58.330 1.486 9.566 1.00 0.00 C ATOM 655 C PRO A 42 57.157 0.916 8.757 1.00 0.00 C ATOM 656 O PRO A 42 57.132 1.021 7.544 1.00 0.00 O ATOM 657 CB PRO A 42 59.412 0.430 9.817 1.00 0.00 C ATOM 658 CG PRO A 42 59.598 0.266 11.337 1.00 0.00 C ATOM 659 CD PRO A 42 58.747 1.322 12.053 1.00 0.00 C ATOM 0 HA PRO A 42 58.682 2.330 8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 42 59.125 -0.520 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.350 0.732 9.352 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.299 -0.735 11.648 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.648 0.383 11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.131 0.883 12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.363 2.089 12.523 1.00 0.00 H new ATOM 667 N TRP A 43 56.182 0.334 9.409 1.00 0.00 N ATOM 668 CA TRP A 43 55.012 -0.216 8.661 1.00 0.00 C ATOM 669 C TRP A 43 54.072 0.937 8.304 1.00 0.00 C ATOM 670 O TRP A 43 53.675 1.709 9.156 1.00 0.00 O ATOM 671 CB TRP A 43 54.342 -1.195 9.623 1.00 0.00 C ATOM 672 CG TRP A 43 55.290 -2.294 9.968 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.156 -2.243 10.990 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.484 -3.589 9.327 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.878 -3.421 11.032 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.499 -4.284 10.026 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.887 -4.224 8.223 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.908 -5.563 9.645 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.297 -5.511 7.836 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.304 -6.178 8.546 1.00 0.00 C ATOM 0 H TRP A 43 56.146 0.217 10.422 1.00 0.00 H new ATOM 0 HA TRP A 43 55.291 -0.714 7.732 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.030 -0.674 10.528 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.442 -1.608 9.167 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.271 -1.414 11.672 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.601 -3.626 11.721 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.109 -3.719 7.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.685 -6.073 10.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.833 -5.989 6.986 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.613 -7.168 8.244 1.00 0.00 H new ATOM 691 N TRP A 44 53.751 1.084 7.045 1.00 0.00 N ATOM 692 CA TRP A 44 52.877 2.215 6.614 1.00 0.00 C ATOM 693 C TRP A 44 51.469 1.738 6.250 1.00 0.00 C ATOM 694 O TRP A 44 51.080 0.621 6.516 1.00 0.00 O ATOM 695 CB TRP A 44 53.542 2.758 5.345 1.00 0.00 C ATOM 696 CG TRP A 44 54.984 3.102 5.556 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.592 3.362 6.740 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.003 3.230 4.536 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.929 3.640 6.498 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.228 3.570 5.148 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.970 3.079 3.143 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.389 3.757 4.395 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.126 3.263 2.380 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.338 3.603 3.003 1.00 0.00 C ATOM 0 H TRP A 44 54.058 0.466 6.294 1.00 0.00 H new ATOM 0 HA TRP A 44 52.775 2.950 7.413 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.461 2.016 4.550 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.006 3.645 5.009 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.115 3.354 7.709 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.608 3.868 7.224 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.043 2.818 2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.318 4.018 4.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.087 3.143 1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.229 3.746 2.410 1.00 0.00 H new ATOM 715 N ARG A 45 50.727 2.596 5.600 1.00 0.00 N ATOM 716 CA ARG A 45 49.356 2.250 5.142 1.00 0.00 C ATOM 717 C ARG A 45 49.232 2.711 3.686 1.00 0.00 C ATOM 718 O ARG A 45 48.600 3.706 3.386 1.00 0.00 O ATOM 719 CB ARG A 45 48.411 3.038 6.051 1.00 0.00 C ATOM 720 CG ARG A 45 46.962 2.682 5.712 1.00 0.00 C ATOM 721 CD ARG A 45 46.037 3.199 6.816 1.00 0.00 C ATOM 722 NE ARG A 45 46.000 4.676 6.625 1.00 0.00 N ATOM 723 CZ ARG A 45 45.052 5.217 5.909 1.00 0.00 C ATOM 724 NH1 ARG A 45 45.210 5.364 4.622 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.947 5.611 6.479 1.00 0.00 N ATOM 0 H ARG A 45 51.024 3.543 5.364 1.00 0.00 H new ATOM 0 HA ARG A 45 49.129 1.185 5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.618 2.808 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.573 4.108 5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.683 3.121 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.856 1.602 5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 45 45.041 2.765 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.416 2.938 7.804 1.00 0.00 H new ATOM 0 HE ARG A 45 46.715 5.264 7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 45 46.074 5.056 4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.469 5.787 4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.823 5.497 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.207 6.034 5.919 1.00 0.00 H new ATOM 739 N ALA A 46 49.873 2.006 2.790 1.00 0.00 N ATOM 740 CA ALA A 46 49.858 2.396 1.348 1.00 0.00 C ATOM 741 C ALA A 46 48.951 1.462 0.548 1.00 0.00 C ATOM 742 O ALA A 46 48.516 0.437 1.040 1.00 0.00 O ATOM 743 CB ALA A 46 51.318 2.242 0.898 1.00 0.00 C ATOM 0 H ALA A 46 50.413 1.166 2.999 1.00 0.00 H new ATOM 0 HA ALA A 46 49.477 3.405 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.404 2.509 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.953 2.899 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.635 1.208 1.038 1.00 0.00 H new ATOM 749 N ARG A 47 48.673 1.804 -0.687 1.00 0.00 N ATOM 750 CA ARG A 47 47.803 0.929 -1.525 1.00 0.00 C ATOM 751 C ARG A 47 48.561 0.466 -2.765 1.00 0.00 C ATOM 752 O ARG A 47 49.549 1.056 -3.156 1.00 0.00 O ATOM 753 CB ARG A 47 46.618 1.794 -1.934 1.00 0.00 C ATOM 754 CG ARG A 47 45.747 2.084 -0.714 1.00 0.00 C ATOM 755 CD ARG A 47 45.147 3.487 -0.832 1.00 0.00 C ATOM 756 NE ARG A 47 43.817 3.282 -1.469 1.00 0.00 N ATOM 757 CZ ARG A 47 42.859 4.145 -1.271 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.915 5.322 -1.833 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.845 3.832 -0.513 1.00 0.00 N ATOM 0 H ARG A 47 49.011 2.649 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 47 47.487 0.039 -0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.971 2.728 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.031 1.286 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.951 1.343 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.342 2.007 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.048 3.958 0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.779 4.137 -1.437 1.00 0.00 H new ATOM 0 HE ARG A 47 43.655 2.467 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.708 5.566 -2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.166 5.997 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.801 2.912 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.096 4.507 -0.358 1.00 0.00 H new ATOM 773 N ASP A 48 48.100 -0.586 -3.386 1.00 0.00 N ATOM 774 CA ASP A 48 48.782 -1.100 -4.604 1.00 0.00 C ATOM 775 C ASP A 48 48.047 -0.626 -5.868 1.00 0.00 C ATOM 776 O ASP A 48 47.405 0.408 -5.868 1.00 0.00 O ATOM 777 CB ASP A 48 48.731 -2.627 -4.456 1.00 0.00 C ATOM 778 CG ASP A 48 47.279 -3.127 -4.481 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.392 -2.348 -4.172 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.081 -4.285 -4.812 1.00 0.00 O ATOM 0 H ASP A 48 47.275 -1.113 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 48 49.806 -0.740 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.296 -3.095 -5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.207 -2.923 -3.521 1.00 0.00 H new ATOM 785 N LYS A 49 48.138 -1.374 -6.939 1.00 0.00 N ATOM 786 CA LYS A 49 47.449 -0.974 -8.203 1.00 0.00 C ATOM 787 C LYS A 49 46.076 -1.644 -8.292 1.00 0.00 C ATOM 788 O LYS A 49 45.680 -2.130 -9.335 1.00 0.00 O ATOM 789 CB LYS A 49 48.363 -1.470 -9.325 1.00 0.00 C ATOM 790 CG LYS A 49 49.298 -0.340 -9.760 1.00 0.00 C ATOM 791 CD LYS A 49 49.684 -0.531 -11.229 1.00 0.00 C ATOM 792 CE LYS A 49 48.695 0.219 -12.130 1.00 0.00 C ATOM 793 NZ LYS A 49 47.924 -0.844 -12.833 1.00 0.00 N ATOM 0 H LYS A 49 48.662 -2.248 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 49 47.280 0.101 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.945 -2.326 -8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.766 -1.808 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.808 0.624 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.192 -0.333 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.696 -0.163 -11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.685 -1.592 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.037 0.861 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.217 0.861 -12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.402 -0.425 -13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 48.579 -1.569 -13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.252 -1.281 -12.170 1.00 0.00 H new ATOM 807 N ASN A 50 45.349 -1.668 -7.205 1.00 0.00 N ATOM 808 CA ASN A 50 44.001 -2.295 -7.211 1.00 0.00 C ATOM 809 C ASN A 50 43.056 -1.552 -6.257 1.00 0.00 C ATOM 810 O ASN A 50 42.035 -2.078 -5.855 1.00 0.00 O ATOM 811 CB ASN A 50 44.227 -3.730 -6.735 1.00 0.00 C ATOM 812 CG ASN A 50 44.938 -4.526 -7.832 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.621 -4.394 -8.997 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.895 -5.350 -7.505 1.00 0.00 N ATOM 0 H ASN A 50 45.637 -1.276 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 50 43.539 -2.260 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.825 -3.732 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.273 -4.198 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.378 -5.884 -8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.161 -5.460 -6.526 1.00 0.00 H new ATOM 821 N GLY A 51 43.386 -0.334 -5.896 1.00 0.00 N ATOM 822 CA GLY A 51 42.507 0.443 -4.972 1.00 0.00 C ATOM 823 C GLY A 51 42.400 -0.280 -3.628 1.00 0.00 C ATOM 824 O GLY A 51 41.403 -0.178 -2.937 1.00 0.00 O ATOM 0 H GLY A 51 44.228 0.154 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 51 42.913 1.444 -4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.517 0.562 -5.411 1.00 0.00 H new ATOM 828 N GLN A 52 43.421 -1.009 -3.253 1.00 0.00 N ATOM 829 CA GLN A 52 43.387 -1.742 -1.953 1.00 0.00 C ATOM 830 C GLN A 52 44.482 -1.217 -1.021 1.00 0.00 C ATOM 831 O GLN A 52 45.636 -1.128 -1.396 1.00 0.00 O ATOM 832 CB GLN A 52 43.650 -3.204 -2.316 1.00 0.00 C ATOM 833 CG GLN A 52 42.321 -3.909 -2.593 1.00 0.00 C ATOM 834 CD GLN A 52 41.534 -4.048 -1.288 1.00 0.00 C ATOM 835 OE1 GLN A 52 40.544 -3.371 -1.087 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.935 -4.900 -0.386 1.00 0.00 N ATOM 0 H GLN A 52 44.278 -1.128 -3.793 1.00 0.00 H new ATOM 0 HA GLN A 52 42.438 -1.615 -1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.294 -3.262 -3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.176 -3.703 -1.502 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.741 -3.341 -3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.502 -4.892 -3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 52 42.765 -5.468 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.418 -4.999 0.488 1.00 0.00 H new ATOM 845 N GLU A 53 44.126 -0.870 0.190 1.00 0.00 N ATOM 846 CA GLU A 53 45.142 -0.349 1.156 1.00 0.00 C ATOM 847 C GLU A 53 45.538 -1.443 2.150 1.00 0.00 C ATOM 848 O GLU A 53 44.762 -2.333 2.446 1.00 0.00 O ATOM 849 CB GLU A 53 44.459 0.820 1.880 1.00 0.00 C ATOM 850 CG GLU A 53 43.188 0.338 2.586 1.00 0.00 C ATOM 851 CD GLU A 53 42.771 1.362 3.643 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.470 2.483 3.266 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.759 1.009 4.811 1.00 0.00 O ATOM 0 H GLU A 53 43.174 -0.925 0.552 1.00 0.00 H new ATOM 0 HA GLU A 53 46.056 -0.030 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.144 1.256 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.211 1.604 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.386 0.201 1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.364 -0.631 3.053 1.00 0.00 H new ATOM 860 N GLY A 54 46.738 -1.379 2.668 1.00 0.00 N ATOM 861 CA GLY A 54 47.191 -2.408 3.648 1.00 0.00 C ATOM 862 C GLY A 54 48.495 -1.933 4.277 1.00 0.00 C ATOM 863 O GLY A 54 48.786 -0.753 4.269 1.00 0.00 O ATOM 0 H GLY A 54 47.424 -0.656 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.433 -2.560 4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.337 -3.367 3.151 1.00 0.00 H new ATOM 867 N TYR A 55 49.278 -2.824 4.832 1.00 0.00 N ATOM 868 CA TYR A 55 50.551 -2.381 5.468 1.00 0.00 C ATOM 869 C TYR A 55 51.761 -2.601 4.550 1.00 0.00 C ATOM 870 O TYR A 55 51.876 -3.602 3.872 1.00 0.00 O ATOM 871 CB TYR A 55 50.686 -3.198 6.753 1.00 0.00 C ATOM 872 CG TYR A 55 49.677 -2.713 7.767 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.311 -2.940 7.561 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.108 -2.034 8.912 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.377 -2.488 8.500 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.174 -1.583 9.852 1.00 0.00 C ATOM 877 CZ TYR A 55 47.808 -1.809 9.646 1.00 0.00 C ATOM 878 OH TYR A 55 46.887 -1.364 10.572 1.00 0.00 O ATOM 0 H TYR A 55 49.092 -3.826 4.871 1.00 0.00 H new ATOM 0 HA TYR A 55 50.526 -1.310 5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.526 -4.256 6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.695 -3.101 7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.978 -3.464 6.677 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.162 -1.858 9.071 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.323 -2.663 8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.507 -1.061 10.736 1.00 0.00 H new ATOM 0 HH TYR A 55 47.353 -0.914 11.307 1.00 0.00 H new ATOM 888 N ILE A 56 52.662 -1.650 4.538 1.00 0.00 N ATOM 889 CA ILE A 56 53.885 -1.744 3.684 1.00 0.00 C ATOM 890 C ILE A 56 55.136 -1.478 4.561 1.00 0.00 C ATOM 891 O ILE A 56 55.376 -0.342 4.920 1.00 0.00 O ATOM 892 CB ILE A 56 53.700 -0.622 2.636 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.715 -1.082 1.568 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.021 -0.270 1.950 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.294 -0.980 2.107 1.00 0.00 C ATOM 0 H ILE A 56 52.599 -0.797 5.094 1.00 0.00 H new ATOM 0 HA ILE A 56 54.018 -2.720 3.217 1.00 0.00 H new ATOM 0 HB ILE A 56 53.327 0.260 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.820 -0.469 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.932 -2.110 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.852 0.522 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.739 0.071 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.415 -1.152 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.590 -1.309 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.193 -1.612 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.080 0.055 2.376 1.00 0.00 H new ATOM 907 N PRO A 57 55.914 -2.506 4.877 1.00 0.00 N ATOM 908 CA PRO A 57 57.131 -2.288 5.702 1.00 0.00 C ATOM 909 C PRO A 57 58.077 -1.306 4.995 1.00 0.00 C ATOM 910 O PRO A 57 58.445 -1.502 3.853 1.00 0.00 O ATOM 911 CB PRO A 57 57.741 -3.691 5.787 1.00 0.00 C ATOM 912 CG PRO A 57 56.844 -4.671 5.007 1.00 0.00 C ATOM 913 CD PRO A 57 55.639 -3.904 4.450 1.00 0.00 C ATOM 0 HA PRO A 57 56.932 -1.856 6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.749 -3.690 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.825 -4.003 6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.406 -5.132 4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.509 -5.477 5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.571 -3.990 3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.699 -4.275 4.859 1.00 0.00 H new ATOM 921 N SER A 58 58.457 -0.243 5.663 1.00 0.00 N ATOM 922 CA SER A 58 59.366 0.772 5.032 1.00 0.00 C ATOM 923 C SER A 58 60.630 0.115 4.466 1.00 0.00 C ATOM 924 O SER A 58 61.114 0.488 3.413 1.00 0.00 O ATOM 925 CB SER A 58 59.730 1.738 6.160 1.00 0.00 C ATOM 926 OG SER A 58 60.471 1.041 7.153 1.00 0.00 O ATOM 0 H SER A 58 58.177 -0.032 6.621 1.00 0.00 H new ATOM 0 HA SER A 58 58.881 1.274 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.317 2.569 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.826 2.164 6.596 1.00 0.00 H new ATOM 0 HG SER A 58 61.092 1.659 7.592 1.00 0.00 H new ATOM 932 N ASN A 59 61.170 -0.852 5.161 1.00 0.00 N ATOM 933 CA ASN A 59 62.409 -1.531 4.672 1.00 0.00 C ATOM 934 C ASN A 59 62.110 -2.344 3.411 1.00 0.00 C ATOM 935 O ASN A 59 62.894 -2.390 2.482 1.00 0.00 O ATOM 936 CB ASN A 59 62.846 -2.437 5.834 1.00 0.00 C ATOM 937 CG ASN A 59 61.858 -3.595 6.036 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.710 -3.379 6.369 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.263 -4.822 5.848 1.00 0.00 N ATOM 0 H ASN A 59 60.807 -1.202 6.048 1.00 0.00 H new ATOM 0 HA ASN A 59 63.193 -0.825 4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.841 -2.835 5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.915 -1.850 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.615 -5.599 5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.227 -5.004 5.568 1.00 0.00 H new ATOM 946 N TYR A 60 60.983 -2.993 3.394 1.00 0.00 N ATOM 947 CA TYR A 60 60.604 -3.831 2.213 1.00 0.00 C ATOM 948 C TYR A 60 60.463 -2.975 0.948 1.00 0.00 C ATOM 949 O TYR A 60 60.889 -3.373 -0.120 1.00 0.00 O ATOM 950 CB TYR A 60 59.258 -4.464 2.582 1.00 0.00 C ATOM 951 CG TYR A 60 59.476 -5.882 3.059 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.782 -6.130 4.402 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.369 -6.948 2.157 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.982 -7.443 4.844 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.569 -8.261 2.598 1.00 0.00 C ATOM 956 CZ TYR A 60 59.876 -8.509 3.942 1.00 0.00 C ATOM 957 OH TYR A 60 60.073 -9.804 4.378 1.00 0.00 O ATOM 0 H TYR A 60 60.299 -2.983 4.151 1.00 0.00 H new ATOM 0 HA TYR A 60 61.366 -4.580 1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.771 -3.878 3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.594 -4.459 1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.864 -5.308 5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.132 -6.757 1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.218 -7.634 5.880 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.487 -9.083 1.902 1.00 0.00 H new ATOM 0 HH TYR A 60 59.962 -10.423 3.626 1.00 0.00 H new ATOM 967 N VAL A 61 59.865 -1.813 1.051 1.00 0.00 N ATOM 968 CA VAL A 61 59.698 -0.952 -0.164 1.00 0.00 C ATOM 969 C VAL A 61 60.749 0.161 -0.199 1.00 0.00 C ATOM 970 O VAL A 61 61.318 0.532 0.810 1.00 0.00 O ATOM 971 CB VAL A 61 58.292 -0.353 -0.072 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.255 -1.479 -0.110 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.140 0.433 1.233 1.00 0.00 C ATOM 0 H VAL A 61 59.488 -1.425 1.916 1.00 0.00 H new ATOM 0 HA VAL A 61 59.827 -1.536 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 61 58.136 0.320 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.254 -1.054 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.354 -2.033 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.419 -2.153 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.137 0.855 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.301 -0.234 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.874 1.238 1.260 1.00 0.00 H new ATOM 983 N THR A 62 60.996 0.698 -1.365 1.00 0.00 N ATOM 984 CA THR A 62 61.996 1.797 -1.508 1.00 0.00 C ATOM 985 C THR A 62 61.379 2.934 -2.351 1.00 0.00 C ATOM 986 O THR A 62 60.261 3.336 -2.100 1.00 0.00 O ATOM 987 CB THR A 62 63.208 1.144 -2.194 1.00 0.00 C ATOM 988 OG1 THR A 62 64.213 2.126 -2.405 1.00 0.00 O ATOM 989 CG2 THR A 62 62.794 0.541 -3.540 1.00 0.00 C ATOM 0 H THR A 62 60.542 0.418 -2.234 1.00 0.00 H new ATOM 0 HA THR A 62 62.294 2.246 -0.560 1.00 0.00 H new ATOM 0 HB THR A 62 63.594 0.350 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.988 1.713 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.661 0.082 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.026 -0.215 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.400 1.327 -4.185 1.00 0.00 H new ATOM 997 N GLU A 63 62.075 3.458 -3.336 1.00 0.00 N ATOM 998 CA GLU A 63 61.487 4.556 -4.163 1.00 0.00 C ATOM 999 C GLU A 63 60.705 3.968 -5.340 1.00 0.00 C ATOM 1000 O GLU A 63 61.142 3.035 -5.981 1.00 0.00 O ATOM 1001 CB GLU A 63 62.682 5.372 -4.658 1.00 0.00 C ATOM 1002 CG GLU A 63 62.315 6.857 -4.672 1.00 0.00 C ATOM 1003 CD GLU A 63 63.559 7.693 -4.371 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.282 8.003 -5.304 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.769 8.012 -3.211 1.00 0.00 O ATOM 0 H GLU A 63 63.018 3.173 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 63 60.789 5.171 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.543 5.205 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.968 5.048 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.906 7.132 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.541 7.058 -3.932 1.00 0.00 H new ATOM 1012 N ALA A 64 59.542 4.509 -5.619 1.00 0.00 N ATOM 1013 CA ALA A 64 58.692 3.991 -6.744 1.00 0.00 C ATOM 1014 C ALA A 64 59.516 3.784 -8.027 1.00 0.00 C ATOM 1015 O ALA A 64 59.207 2.936 -8.844 1.00 0.00 O ATOM 1016 CB ALA A 64 57.643 5.074 -6.975 1.00 0.00 C ATOM 0 H ALA A 64 59.140 5.296 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 64 58.257 3.023 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.980 4.771 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.062 5.218 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.137 6.008 -7.241 1.00 0.00 H new