USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -0.591 K(o=-0.45,f=0.44) USER MOD Set 1.2: A 55 TYR OH : rot 39:sc= 0.139 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 102:sc= -1.1 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.189 K(o=-0.19,f=-2) USER MOD Single : A 26 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -154:sc= -1.1 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0417 K(o=-0.042,f=0.72) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 74:sc= 0.538 USER MOD Single : A 59 ASN : amide:sc= -1.89 K(o=-1.9,f=-5.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.941 7.580 -3.359 1.00 0.00 N ATOM 131 CA LYS A 10 54.940 6.127 -3.717 1.00 0.00 C ATOM 132 C LYS A 10 56.295 5.495 -3.370 1.00 0.00 C ATOM 133 O LYS A 10 57.186 6.159 -2.878 1.00 0.00 O ATOM 134 CB LYS A 10 54.672 6.067 -5.231 1.00 0.00 C ATOM 135 CG LYS A 10 55.618 7.007 -5.983 1.00 0.00 C ATOM 136 CD LYS A 10 54.980 8.391 -6.101 1.00 0.00 C ATOM 137 CE LYS A 10 55.491 9.083 -7.367 1.00 0.00 C ATOM 138 NZ LYS A 10 54.385 9.988 -7.785 1.00 0.00 N ATOM 0 HA LYS A 10 54.183 5.572 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.804 5.046 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.638 6.344 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.570 7.078 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.831 6.608 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.894 8.301 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.222 8.991 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 10 56.405 9.642 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 10 55.723 8.358 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 54.661 10.498 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.530 9.427 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 54.190 10.672 -7.026 1.00 0.00 H new ATOM 152 N VAL A 11 56.450 4.217 -3.624 1.00 0.00 N ATOM 153 CA VAL A 11 57.740 3.516 -3.307 1.00 0.00 C ATOM 154 C VAL A 11 57.823 2.219 -4.108 1.00 0.00 C ATOM 155 O VAL A 11 56.837 1.753 -4.638 1.00 0.00 O ATOM 156 CB VAL A 11 57.722 3.181 -1.802 1.00 0.00 C ATOM 157 CG1 VAL A 11 58.048 4.432 -0.987 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.352 2.629 -1.385 1.00 0.00 C ATOM 0 H VAL A 11 55.733 3.623 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 11 58.594 4.144 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 11 58.476 2.418 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.034 4.188 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.037 4.798 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.306 5.204 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.361 2.399 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.582 3.373 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 11 56.138 1.722 -1.950 1.00 0.00 H new ATOM 168 N VAL A 12 58.985 1.630 -4.186 1.00 0.00 N ATOM 169 CA VAL A 12 59.131 0.357 -4.947 1.00 0.00 C ATOM 170 C VAL A 12 58.996 -0.828 -3.963 1.00 0.00 C ATOM 171 O VAL A 12 58.856 -0.639 -2.771 1.00 0.00 O ATOM 172 CB VAL A 12 60.548 0.471 -5.583 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.367 -0.826 -5.498 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.415 0.850 -7.055 1.00 0.00 C ATOM 0 H VAL A 12 59.842 1.977 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 12 58.377 0.189 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 12 61.077 1.234 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.342 -0.672 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.501 -1.104 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.840 -1.624 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.406 0.930 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.843 0.084 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.901 1.807 -7.139 1.00 0.00 H new ATOM 184 N ALA A 13 59.057 -2.037 -4.459 1.00 0.00 N ATOM 185 CA ALA A 13 58.957 -3.231 -3.573 1.00 0.00 C ATOM 186 C ALA A 13 60.253 -4.043 -3.652 1.00 0.00 C ATOM 187 O ALA A 13 60.821 -4.210 -4.716 1.00 0.00 O ATOM 188 CB ALA A 13 57.790 -4.041 -4.128 1.00 0.00 C ATOM 0 H ALA A 13 59.173 -2.248 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 13 58.804 -2.962 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.652 -4.940 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.881 -3.440 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.001 -4.323 -5.159 1.00 0.00 H new ATOM 194 N LEU A 14 60.728 -4.546 -2.540 1.00 0.00 N ATOM 195 CA LEU A 14 61.992 -5.345 -2.557 1.00 0.00 C ATOM 196 C LEU A 14 61.683 -6.841 -2.473 1.00 0.00 C ATOM 197 O LEU A 14 62.224 -7.636 -3.219 1.00 0.00 O ATOM 198 CB LEU A 14 62.775 -4.890 -1.323 1.00 0.00 C ATOM 199 CG LEU A 14 63.076 -3.392 -1.426 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.757 -2.917 -0.138 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.006 -3.137 -2.618 1.00 0.00 C ATOM 0 H LEU A 14 60.296 -4.438 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 14 62.557 -5.191 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.200 -5.094 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.705 -5.453 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 14 62.144 -2.845 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.971 -1.851 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.097 -3.097 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.688 -3.465 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.220 -2.071 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.937 -3.685 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.523 -3.474 -3.535 1.00 0.00 H new ATOM 213 N TYR A 15 60.823 -7.227 -1.568 1.00 0.00 N ATOM 214 CA TYR A 15 60.477 -8.675 -1.427 1.00 0.00 C ATOM 215 C TYR A 15 58.960 -8.869 -1.466 1.00 0.00 C ATOM 216 O TYR A 15 58.201 -7.918 -1.469 1.00 0.00 O ATOM 217 CB TYR A 15 61.032 -9.090 -0.064 1.00 0.00 C ATOM 218 CG TYR A 15 62.531 -8.905 -0.046 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.333 -9.601 -0.960 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.119 -8.040 0.884 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.722 -9.429 -0.944 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.509 -7.869 0.900 1.00 0.00 C ATOM 223 CZ TYR A 15 65.310 -8.564 -0.013 1.00 0.00 C ATOM 224 OH TYR A 15 66.679 -8.395 0.002 1.00 0.00 O ATOM 0 H TYR A 15 60.344 -6.603 -0.919 1.00 0.00 H new ATOM 0 HA TYR A 15 60.894 -9.273 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.573 -8.492 0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.782 -10.131 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.880 -10.270 -1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.501 -7.504 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.340 -9.964 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.963 -7.201 1.617 1.00 0.00 H new ATOM 0 HH TYR A 15 66.923 -7.761 0.708 1.00 0.00 H new ATOM 234 N ASP A 16 58.518 -10.099 -1.499 1.00 0.00 N ATOM 235 CA ASP A 16 57.051 -10.379 -1.543 1.00 0.00 C ATOM 236 C ASP A 16 56.448 -10.331 -0.135 1.00 0.00 C ATOM 237 O ASP A 16 57.136 -10.499 0.853 1.00 0.00 O ATOM 238 CB ASP A 16 56.935 -11.788 -2.126 1.00 0.00 C ATOM 239 CG ASP A 16 57.225 -11.747 -3.628 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.373 -11.273 -4.362 1.00 0.00 O ATOM 241 OD2 ASP A 16 58.292 -12.191 -4.017 1.00 0.00 O ATOM 0 H ASP A 16 59.114 -10.927 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 16 56.513 -9.641 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.636 -12.457 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.935 -12.185 -1.949 1.00 0.00 H new ATOM 246 N TYR A 17 55.161 -10.101 -0.045 1.00 0.00 N ATOM 247 CA TYR A 17 54.488 -10.037 1.288 1.00 0.00 C ATOM 248 C TYR A 17 52.963 -10.039 1.082 1.00 0.00 C ATOM 249 O TYR A 17 52.337 -9.000 0.992 1.00 0.00 O ATOM 250 CB TYR A 17 54.994 -8.720 1.917 1.00 0.00 C ATOM 251 CG TYR A 17 54.112 -8.266 3.069 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.619 -9.194 3.998 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.787 -6.909 3.199 1.00 0.00 C ATOM 254 CE1 TYR A 17 52.806 -8.763 5.053 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.974 -6.480 4.254 1.00 0.00 C ATOM 256 CZ TYR A 17 52.483 -7.406 5.180 1.00 0.00 C ATOM 257 OH TYR A 17 51.681 -6.982 6.220 1.00 0.00 O ATOM 0 H TYR A 17 54.544 -9.954 -0.844 1.00 0.00 H new ATOM 0 HA TYR A 17 54.711 -10.884 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.015 -8.857 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.024 -7.942 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 17 53.866 -10.241 3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.165 -6.193 2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.428 -9.477 5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.726 -5.434 4.353 1.00 0.00 H new ATOM 0 HH TYR A 17 52.238 -6.581 6.920 1.00 0.00 H new ATOM 267 N MET A 18 52.372 -11.206 1.005 1.00 0.00 N ATOM 268 CA MET A 18 50.893 -11.295 0.800 1.00 0.00 C ATOM 269 C MET A 18 50.147 -10.950 2.101 1.00 0.00 C ATOM 270 O MET A 18 50.738 -10.963 3.162 1.00 0.00 O ATOM 271 CB MET A 18 50.630 -12.748 0.401 1.00 0.00 C ATOM 272 CG MET A 18 50.798 -12.900 -1.112 1.00 0.00 C ATOM 273 SD MET A 18 51.129 -14.635 -1.510 1.00 0.00 S ATOM 274 CE MET A 18 52.111 -14.343 -3.001 1.00 0.00 C ATOM 0 H MET A 18 52.852 -12.103 1.076 1.00 0.00 H new ATOM 0 HA MET A 18 50.544 -10.595 0.041 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.321 -13.410 0.923 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.623 -13.041 0.697 1.00 0.00 H new ATOM 0 HG2 MET A 18 49.897 -12.564 -1.625 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.617 -12.272 -1.463 1.00 0.00 H new ATOM 0 HE1 MET A 18 52.427 -15.298 -3.421 1.00 0.00 H new ATOM 0 HE2 MET A 18 51.509 -13.806 -3.734 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.989 -13.749 -2.748 1.00 0.00 H new ATOM 284 N PRO A 19 48.864 -10.642 1.989 1.00 0.00 N ATOM 285 CA PRO A 19 48.066 -10.288 3.188 1.00 0.00 C ATOM 286 C PRO A 19 47.865 -11.515 4.084 1.00 0.00 C ATOM 287 O PRO A 19 48.102 -12.637 3.681 1.00 0.00 O ATOM 288 CB PRO A 19 46.734 -9.828 2.580 1.00 0.00 C ATOM 289 CG PRO A 19 46.825 -9.943 1.047 1.00 0.00 C ATOM 290 CD PRO A 19 48.144 -10.624 0.686 1.00 0.00 C ATOM 0 HA PRO A 19 48.536 -9.534 3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.915 -10.441 2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.522 -8.799 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.984 -10.519 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.772 -8.955 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 19 47.988 -11.629 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.693 -10.068 -0.074 1.00 0.00 H new ATOM 298 N MET A 20 47.421 -11.301 5.296 1.00 0.00 N ATOM 299 CA MET A 20 47.188 -12.443 6.231 1.00 0.00 C ATOM 300 C MET A 20 45.705 -12.509 6.593 1.00 0.00 C ATOM 301 O MET A 20 45.076 -13.546 6.499 1.00 0.00 O ATOM 302 CB MET A 20 48.027 -12.127 7.472 1.00 0.00 C ATOM 303 CG MET A 20 49.500 -12.008 7.080 1.00 0.00 C ATOM 304 SD MET A 20 50.542 -12.529 8.467 1.00 0.00 S ATOM 305 CE MET A 20 51.830 -13.343 7.490 1.00 0.00 C ATOM 0 H MET A 20 47.209 -10.380 5.680 1.00 0.00 H new ATOM 0 HA MET A 20 47.464 -13.403 5.794 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.685 -11.197 7.927 1.00 0.00 H new ATOM 0 HB3 MET A 20 47.901 -12.912 8.218 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.705 -12.626 6.206 1.00 0.00 H new ATOM 0 HG3 MET A 20 49.731 -10.979 6.805 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.592 -13.746 8.157 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.389 -14.154 6.910 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.285 -12.620 6.814 1.00 0.00 H new ATOM 315 N ASN A 21 45.147 -11.400 7.000 1.00 0.00 N ATOM 316 CA ASN A 21 43.701 -11.368 7.368 1.00 0.00 C ATOM 317 C ASN A 21 42.966 -10.344 6.502 1.00 0.00 C ATOM 318 O ASN A 21 42.011 -10.663 5.820 1.00 0.00 O ATOM 319 CB ASN A 21 43.674 -10.948 8.838 1.00 0.00 C ATOM 320 CG ASN A 21 44.389 -12.002 9.684 1.00 0.00 C ATOM 321 OD1 ASN A 21 45.598 -12.114 9.642 1.00 0.00 O ATOM 322 ND2 ASN A 21 43.689 -12.786 10.458 1.00 0.00 N ATOM 0 H ASN A 21 45.634 -10.509 7.094 1.00 0.00 H new ATOM 0 HA ASN A 21 43.211 -12.329 7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.159 -9.979 8.959 1.00 0.00 H new ATOM 0 HB3 ASN A 21 42.644 -10.833 9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 21 44.157 -13.492 11.027 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.674 -12.693 10.494 1.00 0.00 H new ATOM 329 N ALA A 22 43.412 -9.116 6.526 1.00 0.00 N ATOM 330 CA ALA A 22 42.757 -8.051 5.706 1.00 0.00 C ATOM 331 C ALA A 22 43.596 -6.771 5.731 1.00 0.00 C ATOM 332 O ALA A 22 43.746 -6.096 4.730 1.00 0.00 O ATOM 333 CB ALA A 22 41.397 -7.812 6.366 1.00 0.00 C ATOM 0 H ALA A 22 44.207 -8.802 7.082 1.00 0.00 H new ATOM 0 HA ALA A 22 42.655 -8.345 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.857 -7.040 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 22 40.820 -8.736 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.544 -7.489 7.396 1.00 0.00 H new ATOM 339 N ASN A 23 44.145 -6.439 6.869 1.00 0.00 N ATOM 340 CA ASN A 23 44.982 -5.203 6.976 1.00 0.00 C ATOM 341 C ASN A 23 46.169 -5.262 6.032 1.00 0.00 C ATOM 342 O ASN A 23 46.369 -4.392 5.206 1.00 0.00 O ATOM 343 CB ASN A 23 45.509 -5.181 8.403 1.00 0.00 C ATOM 344 CG ASN A 23 44.563 -4.377 9.296 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.989 -3.488 10.006 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.287 -4.654 9.290 1.00 0.00 N ATOM 0 H ASN A 23 44.051 -6.971 7.734 1.00 0.00 H new ATOM 0 HA ASN A 23 44.392 -4.322 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.602 -6.199 8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.506 -4.740 8.425 1.00 0.00 H new ATOM 0 HD21 ASN A 23 42.647 -4.124 9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 23 42.930 -5.401 8.694 1.00 0.00 H new ATOM 353 N ASP A 24 46.983 -6.267 6.194 1.00 0.00 N ATOM 354 CA ASP A 24 48.212 -6.401 5.360 1.00 0.00 C ATOM 355 C ASP A 24 47.921 -6.182 3.868 1.00 0.00 C ATOM 356 O ASP A 24 46.925 -6.646 3.346 1.00 0.00 O ATOM 357 CB ASP A 24 48.711 -7.825 5.606 1.00 0.00 C ATOM 358 CG ASP A 24 49.114 -7.979 7.074 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.628 -7.023 7.630 1.00 0.00 O ATOM 360 OD2 ASP A 24 48.899 -9.050 7.618 1.00 0.00 O ATOM 0 H ASP A 24 46.848 -7.012 6.878 1.00 0.00 H new ATOM 0 HA ASP A 24 48.952 -5.648 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 24 47.931 -8.543 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.562 -8.040 4.960 1.00 0.00 H new ATOM 365 N LEU A 25 48.785 -5.472 3.190 1.00 0.00 N ATOM 366 CA LEU A 25 48.576 -5.210 1.737 1.00 0.00 C ATOM 367 C LEU A 25 49.347 -6.242 0.909 1.00 0.00 C ATOM 368 O LEU A 25 50.429 -6.658 1.278 1.00 0.00 O ATOM 369 CB LEU A 25 49.123 -3.797 1.508 1.00 0.00 C ATOM 370 CG LEU A 25 48.889 -3.384 0.051 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.474 -2.821 -0.103 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.904 -2.311 -0.351 1.00 0.00 C ATOM 0 H LEU A 25 49.631 -5.060 3.584 1.00 0.00 H new ATOM 0 HA LEU A 25 47.530 -5.286 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.632 -3.093 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.188 -3.767 1.738 1.00 0.00 H new ATOM 0 HG LEU A 25 49.008 -4.257 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.310 -2.528 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.747 -3.583 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.356 -1.951 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.734 -2.020 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.788 -1.440 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.914 -2.708 -0.246 1.00 0.00 H new ATOM 384 N GLN A 26 48.792 -6.666 -0.198 1.00 0.00 N ATOM 385 CA GLN A 26 49.485 -7.685 -1.047 1.00 0.00 C ATOM 386 C GLN A 26 50.648 -7.051 -1.811 1.00 0.00 C ATOM 387 O GLN A 26 50.467 -6.470 -2.864 1.00 0.00 O ATOM 388 CB GLN A 26 48.418 -8.192 -2.018 1.00 0.00 C ATOM 389 CG GLN A 26 48.887 -9.502 -2.654 1.00 0.00 C ATOM 390 CD GLN A 26 47.674 -10.302 -3.133 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.597 -10.182 -2.582 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.802 -11.119 -4.142 1.00 0.00 N ATOM 0 H GLN A 26 47.889 -6.351 -0.552 1.00 0.00 H new ATOM 0 HA GLN A 26 49.908 -8.492 -0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.477 -8.348 -1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.231 -7.447 -2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.552 -9.294 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.458 -10.085 -1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.705 -11.220 -4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.999 -11.657 -4.468 1.00 0.00 H new ATOM 401 N LEU A 27 51.839 -7.167 -1.284 1.00 0.00 N ATOM 402 CA LEU A 27 53.026 -6.583 -1.967 1.00 0.00 C ATOM 403 C LEU A 27 53.709 -7.640 -2.840 1.00 0.00 C ATOM 404 O LEU A 27 53.234 -8.752 -2.977 1.00 0.00 O ATOM 405 CB LEU A 27 53.951 -6.143 -0.831 1.00 0.00 C ATOM 406 CG LEU A 27 53.495 -4.785 -0.293 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.617 -4.993 0.949 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.721 -3.939 0.073 1.00 0.00 C ATOM 0 H LEU A 27 52.039 -7.644 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 27 52.762 -5.755 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.940 -6.884 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.978 -6.077 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 27 52.917 -4.267 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.293 -4.025 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.744 -5.589 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.190 -5.513 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.395 -2.972 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.304 -4.454 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.337 -3.789 -0.813 1.00 0.00 H new ATOM 420 N ARG A 28 54.822 -7.293 -3.424 1.00 0.00 N ATOM 421 CA ARG A 28 55.566 -8.254 -4.292 1.00 0.00 C ATOM 422 C ARG A 28 56.999 -7.755 -4.480 1.00 0.00 C ATOM 423 O ARG A 28 57.504 -6.999 -3.672 1.00 0.00 O ATOM 424 CB ARG A 28 54.797 -8.274 -5.620 1.00 0.00 C ATOM 425 CG ARG A 28 54.767 -6.870 -6.233 1.00 0.00 C ATOM 426 CD ARG A 28 53.423 -6.647 -6.933 1.00 0.00 C ATOM 427 NE ARG A 28 53.587 -7.255 -8.283 1.00 0.00 N ATOM 428 CZ ARG A 28 52.691 -8.087 -8.737 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.750 -9.350 -8.415 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.734 -7.656 -9.512 1.00 0.00 N ATOM 0 H ARG A 28 55.255 -6.373 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 28 55.631 -9.255 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 28 55.269 -8.971 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 28 53.780 -8.629 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.914 -6.119 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 28 55.584 -6.755 -6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.609 -7.119 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.186 -5.585 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 28 54.400 -7.021 -8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 28 53.497 -9.687 -7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 28 52.049 -10.000 -8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 28 51.687 -6.668 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.033 -8.307 -9.867 1.00 0.00 H new ATOM 444 N LYS A 29 57.661 -8.168 -5.529 1.00 0.00 N ATOM 445 CA LYS A 29 59.059 -7.708 -5.753 1.00 0.00 C ATOM 446 C LYS A 29 59.189 -6.998 -7.110 1.00 0.00 C ATOM 447 O LYS A 29 58.755 -7.495 -8.131 1.00 0.00 O ATOM 448 CB LYS A 29 59.920 -8.981 -5.680 1.00 0.00 C ATOM 449 CG LYS A 29 59.719 -9.836 -6.935 1.00 0.00 C ATOM 450 CD LYS A 29 59.778 -11.320 -6.566 1.00 0.00 C ATOM 451 CE LYS A 29 60.022 -12.150 -7.828 1.00 0.00 C ATOM 452 NZ LYS A 29 60.548 -13.453 -7.336 1.00 0.00 N ATOM 0 H LYS A 29 57.293 -8.803 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 29 59.379 -6.977 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.971 -8.711 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.654 -9.557 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 29 58.758 -9.604 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.488 -9.604 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.575 -11.495 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 29 58.845 -11.625 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 29 59.101 -12.285 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 29 60.736 -11.661 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.740 -14.078 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 61.428 -13.294 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 59.844 -13.899 -6.714 1.00 0.00 H new ATOM 466 N GLY A 30 59.790 -5.840 -7.111 1.00 0.00 N ATOM 467 CA GLY A 30 59.971 -5.071 -8.379 1.00 0.00 C ATOM 468 C GLY A 30 58.783 -4.132 -8.612 1.00 0.00 C ATOM 469 O GLY A 30 58.899 -3.149 -9.321 1.00 0.00 O ATOM 0 H GLY A 30 60.168 -5.387 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.894 -4.494 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.068 -5.760 -9.218 1.00 0.00 H new ATOM 473 N ASP A 31 57.643 -4.416 -8.024 1.00 0.00 N ATOM 474 CA ASP A 31 56.465 -3.528 -8.219 1.00 0.00 C ATOM 475 C ASP A 31 56.546 -2.355 -7.247 1.00 0.00 C ATOM 476 O ASP A 31 57.280 -2.399 -6.283 1.00 0.00 O ATOM 477 CB ASP A 31 55.245 -4.397 -7.916 1.00 0.00 C ATOM 478 CG ASP A 31 53.996 -3.748 -8.516 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.697 -4.035 -9.664 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.360 -2.975 -7.818 1.00 0.00 O ATOM 0 H ASP A 31 57.484 -5.223 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 31 56.417 -3.115 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.384 -5.395 -8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.126 -4.513 -6.839 1.00 0.00 H new ATOM 485 N GLU A 32 55.806 -1.309 -7.494 1.00 0.00 N ATOM 486 CA GLU A 32 55.850 -0.130 -6.577 1.00 0.00 C ATOM 487 C GLU A 32 54.449 0.131 -6.026 1.00 0.00 C ATOM 488 O GLU A 32 53.483 -0.446 -6.492 1.00 0.00 O ATOM 489 CB GLU A 32 56.344 1.048 -7.433 1.00 0.00 C ATOM 490 CG GLU A 32 57.597 0.656 -8.225 1.00 0.00 C ATOM 491 CD GLU A 32 57.184 0.054 -9.570 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.647 0.786 -10.385 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.411 -1.130 -9.762 1.00 0.00 O ATOM 0 H GLU A 32 55.173 -1.218 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 32 56.509 -0.286 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.557 1.360 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.565 1.902 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.228 1.531 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.188 -0.064 -7.658 1.00 0.00 H new ATOM 500 N TYR A 33 54.327 0.961 -5.019 1.00 0.00 N ATOM 501 CA TYR A 33 52.983 1.211 -4.422 1.00 0.00 C ATOM 502 C TYR A 33 52.712 2.705 -4.262 1.00 0.00 C ATOM 503 O TYR A 33 53.460 3.546 -4.717 1.00 0.00 O ATOM 504 CB TYR A 33 53.031 0.573 -3.031 1.00 0.00 C ATOM 505 CG TYR A 33 53.630 -0.817 -3.077 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.896 -1.883 -3.605 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.921 -1.032 -2.583 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.452 -3.166 -3.640 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.478 -2.313 -2.617 1.00 0.00 C ATOM 510 CZ TYR A 33 54.743 -3.381 -3.144 1.00 0.00 C ATOM 511 OH TYR A 33 55.290 -4.647 -3.176 1.00 0.00 O ATOM 0 H TYR A 33 55.097 1.473 -4.588 1.00 0.00 H new ATOM 0 HA TYR A 33 52.199 0.801 -5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.619 1.201 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 33 52.024 0.522 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.899 -1.716 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.487 -0.208 -2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.886 -3.990 -4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.475 -2.479 -2.237 1.00 0.00 H new ATOM 0 HH TYR A 33 55.961 -4.731 -2.467 1.00 0.00 H new ATOM 521 N PHE A 34 51.643 3.022 -3.580 1.00 0.00 N ATOM 522 CA PHE A 34 51.283 4.450 -3.328 1.00 0.00 C ATOM 523 C PHE A 34 51.279 4.703 -1.822 1.00 0.00 C ATOM 524 O PHE A 34 50.627 4.000 -1.078 1.00 0.00 O ATOM 525 CB PHE A 34 49.882 4.621 -3.902 1.00 0.00 C ATOM 526 CG PHE A 34 49.973 5.051 -5.347 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.647 6.231 -5.683 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.384 4.271 -6.348 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.733 6.631 -7.022 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.469 4.671 -7.688 1.00 0.00 C ATOM 531 CZ PHE A 34 50.144 5.851 -8.024 1.00 0.00 C ATOM 0 H PHE A 34 50.995 2.343 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 34 51.985 5.149 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.330 3.684 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.330 5.364 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 34 51.101 6.833 -4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 34 48.864 3.361 -6.088 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.254 7.541 -7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.014 4.070 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.210 6.159 -9.057 1.00 0.00 H new ATOM 541 N ILE A 35 52.015 5.681 -1.368 1.00 0.00 N ATOM 542 CA ILE A 35 52.078 5.947 0.104 1.00 0.00 C ATOM 543 C ILE A 35 51.145 7.079 0.532 1.00 0.00 C ATOM 544 O ILE A 35 51.028 8.099 -0.118 1.00 0.00 O ATOM 545 CB ILE A 35 53.537 6.336 0.383 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.491 5.234 -0.105 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.739 6.550 1.887 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.160 3.901 0.573 1.00 0.00 C ATOM 0 H ILE A 35 52.574 6.307 -1.947 1.00 0.00 H new ATOM 0 HA ILE A 35 51.758 5.069 0.665 1.00 0.00 H new ATOM 0 HB ILE A 35 53.757 7.259 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.411 5.128 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.522 5.514 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.776 6.826 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.081 7.348 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.504 5.629 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.845 3.132 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.263 4.007 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.136 3.615 0.333 1.00 0.00 H new ATOM 560 N LEU A 36 50.508 6.892 1.655 1.00 0.00 N ATOM 561 CA LEU A 36 49.592 7.931 2.203 1.00 0.00 C ATOM 562 C LEU A 36 50.154 8.441 3.536 1.00 0.00 C ATOM 563 O LEU A 36 49.998 9.593 3.891 1.00 0.00 O ATOM 564 CB LEU A 36 48.261 7.214 2.420 1.00 0.00 C ATOM 565 CG LEU A 36 47.537 7.068 1.081 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.935 5.744 0.426 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.021 7.091 1.315 1.00 0.00 C ATOM 0 H LEU A 36 50.585 6.049 2.225 1.00 0.00 H new ATOM 0 HA LEU A 36 49.479 8.790 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.432 6.232 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.643 7.776 3.121 1.00 0.00 H new ATOM 0 HG LEU A 36 47.815 7.893 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.419 5.640 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.012 5.730 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.658 4.917 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.504 6.987 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.742 6.267 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.739 8.036 1.779 1.00 0.00 H new ATOM 579 N GLU A 37 50.814 7.578 4.270 1.00 0.00 N ATOM 580 CA GLU A 37 51.407 7.975 5.582 1.00 0.00 C ATOM 581 C GLU A 37 52.270 6.826 6.108 1.00 0.00 C ATOM 582 O GLU A 37 51.999 5.672 5.832 1.00 0.00 O ATOM 583 CB GLU A 37 50.213 8.219 6.510 1.00 0.00 C ATOM 584 CG GLU A 37 50.587 9.267 7.560 1.00 0.00 C ATOM 585 CD GLU A 37 49.826 8.985 8.856 1.00 0.00 C ATOM 586 OE1 GLU A 37 50.289 8.158 9.625 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.792 9.601 9.060 1.00 0.00 O ATOM 0 H GLU A 37 50.968 6.604 4.011 1.00 0.00 H new ATOM 0 HA GLU A 37 52.039 8.860 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.353 8.559 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.922 7.289 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.661 9.245 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.347 10.265 7.194 1.00 0.00 H new ATOM 653 N PRO A 42 57.606 1.541 11.212 1.00 0.00 N ATOM 654 CA PRO A 42 58.084 0.824 9.992 1.00 0.00 C ATOM 655 C PRO A 42 56.942 0.382 9.065 1.00 0.00 C ATOM 656 O PRO A 42 57.031 0.541 7.861 1.00 0.00 O ATOM 657 CB PRO A 42 58.835 -0.376 10.581 1.00 0.00 C ATOM 658 CG PRO A 42 58.778 -0.286 12.118 1.00 0.00 C ATOM 659 CD PRO A 42 58.182 1.074 12.504 1.00 0.00 C ATOM 0 HA PRO A 42 58.699 1.457 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.385 -1.308 10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.870 -0.378 10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.169 -1.095 12.523 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.776 -0.396 12.541 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.421 0.980 13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.941 1.759 12.883 1.00 0.00 H new ATOM 667 N TRP A 43 55.879 -0.163 9.597 1.00 0.00 N ATOM 668 CA TRP A 43 54.749 -0.604 8.718 1.00 0.00 C ATOM 669 C TRP A 43 53.932 0.617 8.281 1.00 0.00 C ATOM 670 O TRP A 43 53.503 1.415 9.089 1.00 0.00 O ATOM 671 CB TRP A 43 53.911 -1.540 9.587 1.00 0.00 C ATOM 672 CG TRP A 43 54.710 -2.746 9.933 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.513 -2.833 11.000 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.797 -4.028 9.242 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.098 -4.085 11.027 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.687 -4.861 9.962 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.200 -4.544 8.080 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.975 -6.160 9.542 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.487 -5.851 7.654 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.372 -6.657 8.384 1.00 0.00 C ATOM 0 H TRP A 43 55.742 -0.322 10.595 1.00 0.00 H new ATOM 0 HA TRP A 43 55.090 -1.102 7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.597 -1.026 10.496 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.005 -1.831 9.056 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.678 -2.049 11.725 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.752 -4.397 11.745 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.516 -3.932 7.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.658 -6.776 10.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.023 -6.238 6.759 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.587 -7.662 8.051 1.00 0.00 H new ATOM 691 N TRP A 44 53.746 0.781 6.997 1.00 0.00 N ATOM 692 CA TRP A 44 52.995 1.965 6.485 1.00 0.00 C ATOM 693 C TRP A 44 51.537 1.630 6.179 1.00 0.00 C ATOM 694 O TRP A 44 51.055 0.552 6.452 1.00 0.00 O ATOM 695 CB TRP A 44 53.692 2.317 5.170 1.00 0.00 C ATOM 696 CG TRP A 44 55.066 2.873 5.385 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.633 3.210 6.571 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.048 3.171 4.366 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.910 3.692 6.330 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.210 3.686 4.979 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.031 3.035 2.972 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.324 4.057 4.225 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.140 3.406 2.208 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.290 3.918 2.832 1.00 0.00 C ATOM 0 H TRP A 44 54.084 0.142 6.278 1.00 0.00 H new ATOM 0 HA TRP A 44 52.991 2.769 7.222 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.757 1.426 4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.090 3.044 4.625 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.167 3.118 7.541 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.549 4.011 7.058 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.153 2.640 2.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.205 4.448 4.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.113 3.299 1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.146 4.204 2.239 1.00 0.00 H new ATOM 715 N ARG A 45 50.857 2.561 5.565 1.00 0.00 N ATOM 716 CA ARG A 45 49.443 2.349 5.159 1.00 0.00 C ATOM 717 C ARG A 45 49.324 2.817 3.706 1.00 0.00 C ATOM 718 O ARG A 45 48.796 3.875 3.419 1.00 0.00 O ATOM 719 CB ARG A 45 48.611 3.230 6.093 1.00 0.00 C ATOM 720 CG ARG A 45 47.123 3.003 5.818 1.00 0.00 C ATOM 721 CD ARG A 45 46.302 4.082 6.527 1.00 0.00 C ATOM 722 NE ARG A 45 44.887 3.629 6.408 1.00 0.00 N ATOM 723 CZ ARG A 45 44.396 2.790 7.277 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.014 3.215 8.451 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.284 1.525 6.974 1.00 0.00 N ATOM 0 H ARG A 45 51.233 3.478 5.324 1.00 0.00 H new ATOM 0 HA ARG A 45 49.109 1.313 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.840 2.994 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.864 4.279 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.932 3.032 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.824 2.015 6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.598 4.181 7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.445 5.057 6.061 1.00 0.00 H new ATOM 0 HE ARG A 45 44.303 3.975 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.100 4.203 8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.630 2.559 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.581 1.192 6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.900 0.870 7.655 1.00 0.00 H new ATOM 739 N ALA A 46 49.866 2.048 2.798 1.00 0.00 N ATOM 740 CA ALA A 46 49.861 2.436 1.358 1.00 0.00 C ATOM 741 C ALA A 46 49.001 1.477 0.532 1.00 0.00 C ATOM 742 O ALA A 46 48.621 0.418 0.994 1.00 0.00 O ATOM 743 CB ALA A 46 51.333 2.318 0.944 1.00 0.00 C ATOM 0 H ALA A 46 50.318 1.155 2.997 1.00 0.00 H new ATOM 0 HA ALA A 46 49.447 3.431 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.438 2.584 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.937 2.992 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.672 1.293 1.094 1.00 0.00 H new ATOM 749 N ARG A 47 48.709 1.838 -0.694 1.00 0.00 N ATOM 750 CA ARG A 47 47.893 0.943 -1.567 1.00 0.00 C ATOM 751 C ARG A 47 48.767 0.386 -2.688 1.00 0.00 C ATOM 752 O ARG A 47 49.856 0.870 -2.931 1.00 0.00 O ATOM 753 CB ARG A 47 46.795 1.821 -2.163 1.00 0.00 C ATOM 754 CG ARG A 47 45.774 2.182 -1.087 1.00 0.00 C ATOM 755 CD ARG A 47 45.046 3.470 -1.481 1.00 0.00 C ATOM 756 NE ARG A 47 46.100 4.525 -1.521 1.00 0.00 N ATOM 757 CZ ARG A 47 45.771 5.768 -1.755 1.00 0.00 C ATOM 758 NH1 ARG A 47 44.698 6.274 -1.212 1.00 0.00 N ATOM 759 NH2 ARG A 47 46.518 6.504 -2.531 1.00 0.00 N ATOM 0 H ARG A 47 49.001 2.714 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 47 47.479 0.104 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.231 2.728 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.303 1.296 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.057 1.370 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.273 2.314 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.559 3.365 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.269 3.719 -0.758 1.00 0.00 H new ATOM 0 HE ARG A 47 47.077 4.276 -1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.115 5.699 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 47 44.443 7.244 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 47 47.358 6.109 -2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 47 46.262 7.474 -2.714 1.00 0.00 H new ATOM 773 N ASP A 48 48.296 -0.620 -3.374 1.00 0.00 N ATOM 774 CA ASP A 48 49.095 -1.207 -4.484 1.00 0.00 C ATOM 775 C ASP A 48 48.545 -0.739 -5.837 1.00 0.00 C ATOM 776 O ASP A 48 47.902 0.289 -5.930 1.00 0.00 O ATOM 777 CB ASP A 48 48.942 -2.723 -4.312 1.00 0.00 C ATOM 778 CG ASP A 48 47.471 -3.144 -4.463 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.608 -2.284 -4.388 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.236 -4.327 -4.650 1.00 0.00 O ATOM 0 H ASP A 48 47.390 -1.060 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 48 50.141 -0.903 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.551 -3.241 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.311 -3.021 -3.331 1.00 0.00 H new ATOM 785 N LYS A 49 48.795 -1.486 -6.884 1.00 0.00 N ATOM 786 CA LYS A 49 48.290 -1.087 -8.233 1.00 0.00 C ATOM 787 C LYS A 49 46.944 -1.759 -8.526 1.00 0.00 C ATOM 788 O LYS A 49 46.560 -1.918 -9.670 1.00 0.00 O ATOM 789 CB LYS A 49 49.357 -1.574 -9.215 1.00 0.00 C ATOM 790 CG LYS A 49 50.398 -0.473 -9.424 1.00 0.00 C ATOM 791 CD LYS A 49 49.945 0.452 -10.555 1.00 0.00 C ATOM 792 CE LYS A 49 49.104 1.593 -9.976 1.00 0.00 C ATOM 793 NZ LYS A 49 49.469 2.788 -10.786 1.00 0.00 N ATOM 0 H LYS A 49 49.328 -2.356 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 49 48.125 -0.012 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.836 -2.474 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.897 -1.839 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.529 0.097 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 49 51.365 -0.914 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.812 0.855 -11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.363 -0.108 -11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.039 1.376 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.324 1.749 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.933 3.613 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 50.488 2.975 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 49.242 2.612 -11.786 1.00 0.00 H new ATOM 807 N ASN A 50 46.225 -2.152 -7.503 1.00 0.00 N ATOM 808 CA ASN A 50 44.908 -2.809 -7.714 1.00 0.00 C ATOM 809 C ASN A 50 43.777 -1.905 -7.212 1.00 0.00 C ATOM 810 O ASN A 50 42.660 -1.971 -7.690 1.00 0.00 O ATOM 811 CB ASN A 50 44.969 -4.098 -6.895 1.00 0.00 C ATOM 812 CG ASN A 50 45.755 -5.158 -7.670 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.786 -5.616 -7.219 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.308 -5.570 -8.824 1.00 0.00 N ATOM 0 H ASN A 50 46.500 -2.043 -6.527 1.00 0.00 H new ATOM 0 HA ASN A 50 44.711 -3.006 -8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.445 -3.908 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.961 -4.457 -6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.824 -6.277 -9.348 1.00 0.00 H new ATOM 0 HD22 ASN A 50 44.442 -5.185 -9.202 1.00 0.00 H new ATOM 821 N GLY A 51 44.063 -1.062 -6.251 1.00 0.00 N ATOM 822 CA GLY A 51 43.014 -0.149 -5.709 1.00 0.00 C ATOM 823 C GLY A 51 42.673 -0.556 -4.274 1.00 0.00 C ATOM 824 O GLY A 51 41.567 -0.350 -3.809 1.00 0.00 O ATOM 0 H GLY A 51 44.982 -0.968 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.368 0.882 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.121 -0.193 -6.333 1.00 0.00 H new ATOM 828 N GLN A 52 43.615 -1.131 -3.569 1.00 0.00 N ATOM 829 CA GLN A 52 43.354 -1.557 -2.163 1.00 0.00 C ATOM 830 C GLN A 52 44.454 -1.032 -1.235 1.00 0.00 C ATOM 831 O GLN A 52 45.609 -0.954 -1.610 1.00 0.00 O ATOM 832 CB GLN A 52 43.376 -3.084 -2.210 1.00 0.00 C ATOM 833 CG GLN A 52 41.965 -3.608 -2.483 1.00 0.00 C ATOM 834 CD GLN A 52 42.050 -4.988 -3.137 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.286 -5.976 -2.469 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.868 -5.099 -4.424 1.00 0.00 N ATOM 0 H GLN A 52 44.557 -1.324 -3.910 1.00 0.00 H new ATOM 0 HA GLN A 52 42.409 -1.170 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.058 -3.424 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.746 -3.482 -1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.402 -3.669 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.429 -2.918 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.670 -4.270 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.924 -6.015 -4.870 1.00 0.00 H new ATOM 845 N GLU A 53 44.097 -0.676 -0.027 1.00 0.00 N ATOM 846 CA GLU A 53 45.111 -0.156 0.940 1.00 0.00 C ATOM 847 C GLU A 53 45.376 -1.196 2.028 1.00 0.00 C ATOM 848 O GLU A 53 44.514 -1.990 2.358 1.00 0.00 O ATOM 849 CB GLU A 53 44.475 1.097 1.542 1.00 0.00 C ATOM 850 CG GLU A 53 45.505 1.830 2.405 1.00 0.00 C ATOM 851 CD GLU A 53 44.802 2.488 3.593 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.072 1.794 4.282 1.00 0.00 O ATOM 853 OE2 GLU A 53 45.004 3.674 3.794 1.00 0.00 O ATOM 0 H GLU A 53 43.144 -0.723 0.332 1.00 0.00 H new ATOM 0 HA GLU A 53 46.067 0.061 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.117 1.753 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.609 0.824 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.262 1.130 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 53 46.021 2.584 1.811 1.00 0.00 H new ATOM 860 N GLY A 54 46.559 -1.197 2.590 1.00 0.00 N ATOM 861 CA GLY A 54 46.875 -2.185 3.661 1.00 0.00 C ATOM 862 C GLY A 54 48.189 -1.789 4.321 1.00 0.00 C ATOM 863 O GLY A 54 48.497 -0.618 4.428 1.00 0.00 O ATOM 0 H GLY A 54 47.317 -0.557 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.074 -2.210 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 54 46.951 -3.187 3.239 1.00 0.00 H new ATOM 867 N TYR A 55 48.966 -2.742 4.770 1.00 0.00 N ATOM 868 CA TYR A 55 50.254 -2.389 5.429 1.00 0.00 C ATOM 869 C TYR A 55 51.451 -2.695 4.521 1.00 0.00 C ATOM 870 O TYR A 55 51.465 -3.662 3.785 1.00 0.00 O ATOM 871 CB TYR A 55 50.313 -3.233 6.703 1.00 0.00 C ATOM 872 CG TYR A 55 49.371 -2.657 7.734 1.00 0.00 C ATOM 873 CD1 TYR A 55 47.987 -2.712 7.527 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.883 -2.070 8.896 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.115 -2.180 8.484 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.011 -1.536 9.854 1.00 0.00 C ATOM 877 CZ TYR A 55 47.628 -1.592 9.648 1.00 0.00 C ATOM 878 OH TYR A 55 46.768 -1.066 10.591 1.00 0.00 O ATOM 0 H TYR A 55 48.764 -3.740 4.709 1.00 0.00 H new ATOM 0 HA TYR A 55 50.303 -1.322 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.040 -4.265 6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.330 -3.250 7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.593 -3.165 6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 55 50.950 -2.028 9.055 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.048 -2.223 8.325 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.406 -1.082 10.751 1.00 0.00 H new ATOM 0 HH TYR A 55 45.985 -1.649 10.681 1.00 0.00 H new ATOM 888 N ILE A 56 52.455 -1.858 4.581 1.00 0.00 N ATOM 889 CA ILE A 56 53.676 -2.051 3.741 1.00 0.00 C ATOM 890 C ILE A 56 54.929 -1.700 4.584 1.00 0.00 C ATOM 891 O ILE A 56 55.169 -0.534 4.830 1.00 0.00 O ATOM 892 CB ILE A 56 53.501 -1.050 2.585 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.382 -1.533 1.664 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.792 -0.923 1.772 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.050 -0.955 2.135 1.00 0.00 C ATOM 0 H ILE A 56 52.481 -1.037 5.185 1.00 0.00 H new ATOM 0 HA ILE A 56 53.800 -3.072 3.381 1.00 0.00 H new ATOM 0 HB ILE A 56 53.254 -0.076 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.582 -1.224 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.339 -2.622 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.643 -0.210 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.597 -0.573 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.057 -1.895 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.251 -1.299 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.850 -1.286 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.097 0.134 2.110 1.00 0.00 H new ATOM 907 N PRO A 57 55.703 -2.692 5.002 1.00 0.00 N ATOM 908 CA PRO A 57 56.920 -2.397 5.805 1.00 0.00 C ATOM 909 C PRO A 57 57.855 -1.456 5.031 1.00 0.00 C ATOM 910 O PRO A 57 58.162 -1.683 3.877 1.00 0.00 O ATOM 911 CB PRO A 57 57.548 -3.783 5.995 1.00 0.00 C ATOM 912 CG PRO A 57 56.659 -4.830 5.300 1.00 0.00 C ATOM 913 CD PRO A 57 55.431 -4.126 4.711 1.00 0.00 C ATOM 0 HA PRO A 57 56.714 -1.894 6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.553 -3.803 5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.642 -4.012 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.218 -5.336 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.350 -5.595 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.333 -4.310 3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.507 -4.466 5.179 1.00 0.00 H new ATOM 921 N SER A 58 58.291 -0.392 5.658 1.00 0.00 N ATOM 922 CA SER A 58 59.193 0.588 4.966 1.00 0.00 C ATOM 923 C SER A 58 60.431 -0.108 4.393 1.00 0.00 C ATOM 924 O SER A 58 60.826 0.141 3.269 1.00 0.00 O ATOM 925 CB SER A 58 59.601 1.589 6.047 1.00 0.00 C ATOM 926 OG SER A 58 60.674 2.388 5.566 1.00 0.00 O ATOM 0 H SER A 58 58.062 -0.156 6.624 1.00 0.00 H new ATOM 0 HA SER A 58 58.691 1.067 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.753 2.220 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.902 1.062 6.952 1.00 0.00 H new ATOM 0 HG SER A 58 60.334 3.033 4.911 1.00 0.00 H new ATOM 932 N ASN A 59 61.048 -0.972 5.159 1.00 0.00 N ATOM 933 CA ASN A 59 62.268 -1.683 4.663 1.00 0.00 C ATOM 934 C ASN A 59 61.937 -2.496 3.408 1.00 0.00 C ATOM 935 O ASN A 59 62.702 -2.550 2.465 1.00 0.00 O ATOM 936 CB ASN A 59 62.701 -2.589 5.830 1.00 0.00 C ATOM 937 CG ASN A 59 61.738 -3.771 6.013 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.602 -3.589 6.404 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.150 -4.979 5.745 1.00 0.00 N ATOM 0 H ASN A 59 60.760 -1.216 6.107 1.00 0.00 H new ATOM 0 HA ASN A 59 63.066 -0.998 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.708 -2.964 5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.741 -2.005 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.519 -5.771 5.864 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.104 -5.132 5.417 1.00 0.00 H new ATOM 946 N TYR A 60 60.799 -3.129 3.410 1.00 0.00 N ATOM 947 CA TYR A 60 60.387 -3.958 2.234 1.00 0.00 C ATOM 948 C TYR A 60 60.297 -3.101 0.967 1.00 0.00 C ATOM 949 O TYR A 60 60.567 -3.571 -0.122 1.00 0.00 O ATOM 950 CB TYR A 60 59.009 -4.519 2.599 1.00 0.00 C ATOM 951 CG TYR A 60 59.150 -5.946 3.078 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.543 -6.205 4.396 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.887 -7.007 2.204 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.674 -7.525 4.841 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.018 -8.329 2.650 1.00 0.00 C ATOM 956 CZ TYR A 60 59.412 -8.588 3.967 1.00 0.00 C ATOM 957 OH TYR A 60 59.542 -9.890 4.406 1.00 0.00 O ATOM 0 H TYR A 60 60.129 -3.110 4.179 1.00 0.00 H new ATOM 0 HA TYR A 60 61.109 -4.748 2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.551 -3.908 3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.349 -4.480 1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.745 -5.386 5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.583 -6.807 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.977 -7.724 5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.815 -9.148 1.976 1.00 0.00 H new ATOM 0 HH TYR A 60 59.322 -10.505 3.675 1.00 0.00 H new ATOM 967 N VAL A 61 59.920 -1.851 1.094 1.00 0.00 N ATOM 968 CA VAL A 61 59.815 -0.976 -0.117 1.00 0.00 C ATOM 969 C VAL A 61 60.921 0.082 -0.121 1.00 0.00 C ATOM 970 O VAL A 61 61.622 0.271 0.855 1.00 0.00 O ATOM 971 CB VAL A 61 58.441 -0.303 -0.036 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.349 -1.369 -0.126 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.306 0.457 1.286 1.00 0.00 C ATOM 0 H VAL A 61 59.682 -1.401 1.978 1.00 0.00 H new ATOM 0 HA VAL A 61 59.926 -1.558 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 61 58.337 0.400 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.370 -0.893 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.438 -1.902 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.459 -2.073 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.326 0.932 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.413 -0.239 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.082 1.220 1.348 1.00 0.00 H new ATOM 983 N THR A 62 61.070 0.775 -1.219 1.00 0.00 N ATOM 984 CA THR A 62 62.115 1.836 -1.317 1.00 0.00 C ATOM 985 C THR A 62 61.558 3.018 -2.136 1.00 0.00 C ATOM 986 O THR A 62 60.441 3.441 -1.912 1.00 0.00 O ATOM 987 CB THR A 62 63.306 1.151 -2.005 1.00 0.00 C ATOM 988 OG1 THR A 62 64.377 2.076 -2.122 1.00 0.00 O ATOM 989 CG2 THR A 62 62.900 0.664 -3.398 1.00 0.00 C ATOM 0 H THR A 62 60.507 0.650 -2.060 1.00 0.00 H new ATOM 0 HA THR A 62 62.417 2.248 -0.354 1.00 0.00 H new ATOM 0 HB THR A 62 63.620 0.296 -1.407 1.00 0.00 H new ATOM 0 HG1 THR A 62 65.139 1.641 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.751 0.180 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.080 -0.049 -3.310 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.579 1.513 -4.001 1.00 0.00 H new ATOM 997 N GLU A 63 62.304 3.558 -3.075 1.00 0.00 N ATOM 998 CA GLU A 63 61.776 4.701 -3.879 1.00 0.00 C ATOM 999 C GLU A 63 61.019 4.178 -5.101 1.00 0.00 C ATOM 1000 O GLU A 63 61.469 3.280 -5.782 1.00 0.00 O ATOM 1001 CB GLU A 63 63.010 5.498 -4.305 1.00 0.00 C ATOM 1002 CG GLU A 63 63.377 6.497 -3.206 1.00 0.00 C ATOM 1003 CD GLU A 63 63.974 7.755 -3.836 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.284 8.385 -4.622 1.00 0.00 O ATOM 1005 OE2 GLU A 63 65.111 8.070 -3.524 1.00 0.00 O ATOM 0 H GLU A 63 63.248 3.256 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 63 61.077 5.317 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.845 4.823 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.811 6.025 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.492 6.754 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 63 64.092 6.048 -2.517 1.00 0.00 H new ATOM 1012 N ALA A 64 59.863 4.734 -5.374 1.00 0.00 N ATOM 1013 CA ALA A 64 59.040 4.276 -6.544 1.00 0.00 C ATOM 1014 C ALA A 64 59.886 4.197 -7.826 1.00 0.00 C ATOM 1015 O ALA A 64 61.045 4.566 -7.840 1.00 0.00 O ATOM 1016 CB ALA A 64 57.957 5.337 -6.702 1.00 0.00 C ATOM 0 H ALA A 64 59.449 5.493 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 64 58.633 3.279 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.311 5.075 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.364 5.390 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.421 6.305 -6.891 1.00 0.00 H new