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 Set 1.1: A 26 GLN :FLIP amide:sc= -0.196 F(o=-2.5,f=0.79) USER MOD Set 1.2: A 52 GLN : amide:sc= 0.99 K(o=0.79,f=-4.2) 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 157:sc= 0.0437! USER MOD Single : A 18 MET CE :methyl 169:sc= 0 (180deg=-0.274) USER MOD Single : A 20 MET CE :methyl 143:sc= 0 (180deg=-0.0665) USER MOD Single : A 21 ASN : amide:sc= -0.069 K(o=-0.069,f=-1.2!) USER MOD Single : A 23 ASN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 70:sc= -3.18! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.968 X(o=-0.97,f=-0.97) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -13:sc= 1.79 USER MOD Single : A 59 ASN : amide:sc= -1.64 K(o=-1.6,f=-4.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.236 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.545 7.145 -3.413 1.00 0.00 N ATOM 131 CA LYS A 10 55.120 6.257 -4.477 1.00 0.00 C ATOM 132 C LYS A 10 56.365 5.529 -3.948 1.00 0.00 C ATOM 133 O LYS A 10 57.331 6.144 -3.538 1.00 0.00 O ATOM 134 CB LYS A 10 55.492 7.187 -5.646 1.00 0.00 C ATOM 135 CG LYS A 10 54.762 6.740 -6.917 1.00 0.00 C ATOM 136 CD LYS A 10 54.973 7.781 -8.019 1.00 0.00 C ATOM 137 CE LYS A 10 54.211 9.059 -7.664 1.00 0.00 C ATOM 138 NZ LYS A 10 54.107 9.813 -8.945 1.00 0.00 N ATOM 0 HA LYS A 10 54.410 5.491 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.224 8.215 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 10 56.570 7.168 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 10 55.137 5.769 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 10 53.698 6.619 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 10 56.035 7.997 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.624 7.390 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 10 53.225 8.831 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.741 9.637 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.596 10.704 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 55.061 10.022 -9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.592 9.240 -9.644 1.00 0.00 H new ATOM 152 N VAL A 11 56.343 4.221 -3.965 1.00 0.00 N ATOM 153 CA VAL A 11 57.515 3.421 -3.481 1.00 0.00 C ATOM 154 C VAL A 11 57.582 2.112 -4.255 1.00 0.00 C ATOM 155 O VAL A 11 56.608 1.682 -4.838 1.00 0.00 O ATOM 156 CB VAL A 11 57.279 3.142 -1.994 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.422 4.443 -1.206 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.883 2.549 -1.787 1.00 0.00 C ATOM 0 H VAL A 11 55.555 3.664 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 11 58.453 3.956 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 11 58.017 2.423 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.254 4.247 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.425 4.845 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.688 5.166 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.724 2.354 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.132 3.254 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.798 1.616 -2.344 1.00 0.00 H new ATOM 168 N VAL A 12 58.720 1.476 -4.267 1.00 0.00 N ATOM 169 CA VAL A 12 58.856 0.198 -5.015 1.00 0.00 C ATOM 170 C VAL A 12 58.694 -0.989 -4.039 1.00 0.00 C ATOM 171 O VAL A 12 58.599 -0.812 -2.839 1.00 0.00 O ATOM 172 CB VAL A 12 60.283 0.296 -5.627 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.062 -1.024 -5.558 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.177 0.718 -7.090 1.00 0.00 C ATOM 0 H VAL A 12 59.565 1.789 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 12 58.104 0.037 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 12 60.828 1.032 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.048 -0.888 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.171 -1.328 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.521 -1.795 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.175 0.788 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.594 -0.021 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.686 1.689 -7.154 1.00 0.00 H new ATOM 184 N ALA A 13 58.687 -2.191 -4.556 1.00 0.00 N ATOM 185 CA ALA A 13 58.559 -3.401 -3.692 1.00 0.00 C ATOM 186 C ALA A 13 59.845 -4.228 -3.787 1.00 0.00 C ATOM 187 O ALA A 13 60.360 -4.456 -4.867 1.00 0.00 O ATOM 188 CB ALA A 13 57.377 -4.181 -4.267 1.00 0.00 C ATOM 0 H ALA A 13 58.766 -2.387 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 13 58.402 -3.154 -2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.220 -5.087 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.480 -3.564 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.587 -4.449 -5.302 1.00 0.00 H new ATOM 194 N LEU A 14 60.374 -4.664 -2.673 1.00 0.00 N ATOM 195 CA LEU A 14 61.638 -5.462 -2.704 1.00 0.00 C ATOM 196 C LEU A 14 61.345 -6.962 -2.781 1.00 0.00 C ATOM 197 O LEU A 14 61.663 -7.611 -3.760 1.00 0.00 O ATOM 198 CB LEU A 14 62.358 -5.120 -1.400 1.00 0.00 C ATOM 199 CG LEU A 14 63.276 -3.917 -1.630 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.800 -3.405 -0.286 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.454 -4.340 -2.509 1.00 0.00 C ATOM 0 H LEU A 14 59.986 -4.503 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 14 62.240 -5.225 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.632 -4.894 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 14 62.940 -5.976 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 14 62.717 -3.123 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.453 -2.549 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.961 -3.105 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.360 -4.197 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 14 65.110 -3.485 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.012 -5.134 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.081 -4.702 -3.467 1.00 0.00 H new ATOM 213 N TYR A 15 60.759 -7.517 -1.754 1.00 0.00 N ATOM 214 CA TYR A 15 60.464 -8.985 -1.760 1.00 0.00 C ATOM 215 C TYR A 15 58.954 -9.241 -1.759 1.00 0.00 C ATOM 216 O TYR A 15 58.157 -8.334 -1.606 1.00 0.00 O ATOM 217 CB TYR A 15 61.091 -9.528 -0.475 1.00 0.00 C ATOM 218 CG TYR A 15 62.579 -9.266 -0.481 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.373 -9.766 -1.520 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.164 -8.524 0.552 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.752 -9.523 -1.526 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.542 -8.281 0.546 1.00 0.00 C ATOM 223 CZ TYR A 15 65.336 -8.781 -0.493 1.00 0.00 C ATOM 224 OH TYR A 15 66.696 -8.542 -0.499 1.00 0.00 O ATOM 0 H TYR A 15 60.471 -7.021 -0.911 1.00 0.00 H new ATOM 0 HA TYR A 15 60.864 -9.468 -2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.633 -9.054 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.901 -10.598 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.922 -10.339 -2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.551 -8.139 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.365 -9.908 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.993 -7.708 1.343 1.00 0.00 H new ATOM 0 HH TYR A 15 66.938 -8.011 0.288 1.00 0.00 H new ATOM 234 N ASP A 16 58.564 -10.478 -1.927 1.00 0.00 N ATOM 235 CA ASP A 16 57.110 -10.825 -1.938 1.00 0.00 C ATOM 236 C ASP A 16 56.564 -10.870 -0.509 1.00 0.00 C ATOM 237 O ASP A 16 57.247 -11.284 0.409 1.00 0.00 O ATOM 238 CB ASP A 16 57.033 -12.210 -2.584 1.00 0.00 C ATOM 239 CG ASP A 16 57.103 -12.068 -4.105 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.358 -11.263 -4.640 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.900 -12.766 -4.709 1.00 0.00 O ATOM 0 H ASP A 16 59.195 -11.269 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 16 56.517 -10.089 -2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.852 -12.835 -2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.106 -12.706 -2.297 1.00 0.00 H new ATOM 246 N TYR A 17 55.341 -10.439 -0.314 1.00 0.00 N ATOM 247 CA TYR A 17 54.753 -10.449 1.056 1.00 0.00 C ATOM 248 C TYR A 17 53.235 -10.247 0.987 1.00 0.00 C ATOM 249 O TYR A 17 52.735 -9.154 1.170 1.00 0.00 O ATOM 250 CB TYR A 17 55.440 -9.274 1.765 1.00 0.00 C ATOM 251 CG TYR A 17 54.930 -9.085 3.187 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.276 -10.121 3.880 1.00 0.00 C ATOM 253 CD2 TYR A 17 55.131 -7.852 3.815 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.830 -9.913 5.189 1.00 0.00 C ATOM 255 CE2 TYR A 17 54.685 -7.646 5.122 1.00 0.00 C ATOM 256 CZ TYR A 17 54.032 -8.676 5.811 1.00 0.00 C ATOM 257 OH TYR A 17 53.592 -8.475 7.103 1.00 0.00 O ATOM 0 H TYR A 17 54.727 -10.081 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 17 54.908 -11.392 1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.517 -9.443 1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.272 -8.360 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.119 -11.076 3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 17 55.634 -7.055 3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.329 -10.708 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 17 54.844 -6.692 5.602 1.00 0.00 H new ATOM 0 HH TYR A 17 54.101 -7.744 7.512 1.00 0.00 H new ATOM 267 N MET A 18 52.506 -11.302 0.721 1.00 0.00 N ATOM 268 CA MET A 18 51.016 -11.197 0.632 1.00 0.00 C ATOM 269 C MET A 18 50.403 -10.973 2.027 1.00 0.00 C ATOM 270 O MET A 18 51.054 -11.216 3.023 1.00 0.00 O ATOM 271 CB MET A 18 50.547 -12.535 0.043 1.00 0.00 C ATOM 272 CG MET A 18 51.001 -13.692 0.939 1.00 0.00 C ATOM 273 SD MET A 18 49.963 -15.142 0.620 1.00 0.00 S ATOM 274 CE MET A 18 50.582 -15.504 -1.040 1.00 0.00 C ATOM 0 H MET A 18 52.881 -12.237 0.561 1.00 0.00 H new ATOM 0 HA MET A 18 50.706 -10.353 0.016 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.461 -12.540 -0.049 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.952 -12.661 -0.961 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.047 -13.929 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.930 -13.404 1.988 1.00 0.00 H new ATOM 0 HE1 MET A 18 50.218 -16.481 -1.359 1.00 0.00 H new ATOM 0 HE2 MET A 18 50.229 -14.741 -1.734 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.672 -15.508 -1.029 1.00 0.00 H new ATOM 284 N PRO A 19 49.164 -10.508 2.063 1.00 0.00 N ATOM 285 CA PRO A 19 48.490 -10.254 3.360 1.00 0.00 C ATOM 286 C PRO A 19 48.257 -11.567 4.114 1.00 0.00 C ATOM 287 O PRO A 19 47.996 -12.596 3.520 1.00 0.00 O ATOM 288 CB PRO A 19 47.164 -9.615 2.931 1.00 0.00 C ATOM 289 CG PRO A 19 47.132 -9.525 1.393 1.00 0.00 C ATOM 290 CD PRO A 19 48.377 -10.211 0.835 1.00 0.00 C ATOM 0 HA PRO A 19 49.067 -9.627 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.324 -10.209 3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.064 -8.622 3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.232 -10.003 1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.101 -8.482 1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.127 -11.118 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.924 -9.563 0.150 1.00 0.00 H new ATOM 298 N MET A 20 48.352 -11.533 5.419 1.00 0.00 N ATOM 299 CA MET A 20 48.138 -12.772 6.226 1.00 0.00 C ATOM 300 C MET A 20 47.078 -12.528 7.302 1.00 0.00 C ATOM 301 O MET A 20 46.067 -13.202 7.353 1.00 0.00 O ATOM 302 CB MET A 20 49.494 -13.066 6.869 1.00 0.00 C ATOM 303 CG MET A 20 50.536 -13.324 5.780 1.00 0.00 C ATOM 304 SD MET A 20 50.470 -15.063 5.282 1.00 0.00 S ATOM 305 CE MET A 20 51.501 -15.721 6.616 1.00 0.00 C ATOM 0 H MET A 20 48.569 -10.697 5.962 1.00 0.00 H new ATOM 0 HA MET A 20 47.786 -13.604 5.616 1.00 0.00 H new ATOM 0 HB2 MET A 20 49.803 -12.225 7.489 1.00 0.00 H new ATOM 0 HB3 MET A 20 49.416 -13.934 7.524 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.346 -12.681 4.921 1.00 0.00 H new ATOM 0 HG3 MET A 20 51.532 -13.078 6.149 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.115 -16.691 6.929 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.525 -15.835 6.262 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.484 -15.034 7.462 1.00 0.00 H new ATOM 315 N ASN A 21 47.307 -11.570 8.164 1.00 0.00 N ATOM 316 CA ASN A 21 46.320 -11.274 9.246 1.00 0.00 C ATOM 317 C ASN A 21 45.387 -10.135 8.823 1.00 0.00 C ATOM 318 O ASN A 21 45.018 -9.295 9.620 1.00 0.00 O ATOM 319 CB ASN A 21 47.166 -10.854 10.448 1.00 0.00 C ATOM 320 CG ASN A 21 47.716 -12.100 11.145 1.00 0.00 C ATOM 321 OD1 ASN A 21 47.047 -13.111 11.225 1.00 0.00 O ATOM 322 ND2 ASN A 21 48.916 -12.071 11.658 1.00 0.00 N ATOM 0 H ASN A 21 48.138 -10.978 8.165 1.00 0.00 H new ATOM 0 HA ASN A 21 45.687 -12.132 9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 21 47.986 -10.214 10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 21 46.563 -10.271 11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 21 49.291 -12.896 12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 21 49.479 -11.223 11.592 1.00 0.00 H new ATOM 329 N ALA A 22 45.001 -10.103 7.568 1.00 0.00 N ATOM 330 CA ALA A 22 44.085 -9.023 7.071 1.00 0.00 C ATOM 331 C ALA A 22 44.631 -7.634 7.429 1.00 0.00 C ATOM 332 O ALA A 22 44.035 -6.900 8.196 1.00 0.00 O ATOM 333 CB ALA A 22 42.745 -9.274 7.768 1.00 0.00 C ATOM 0 H ALA A 22 45.283 -10.783 6.862 1.00 0.00 H new ATOM 0 HA ALA A 22 43.988 -9.046 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 22 42.024 -8.520 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 22 42.376 -10.264 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.880 -9.216 8.848 1.00 0.00 H new ATOM 339 N ASN A 23 45.758 -7.276 6.874 1.00 0.00 N ATOM 340 CA ASN A 23 46.359 -5.939 7.166 1.00 0.00 C ATOM 341 C ASN A 23 47.443 -5.602 6.159 1.00 0.00 C ATOM 342 O ASN A 23 47.362 -4.631 5.430 1.00 0.00 O ATOM 343 CB ASN A 23 46.997 -6.067 8.541 1.00 0.00 C ATOM 344 CG ASN A 23 46.005 -5.634 9.621 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.207 -4.743 9.407 1.00 0.00 O ATOM 346 ND2 ASN A 23 46.021 -6.230 10.782 1.00 0.00 N ATOM 0 H ASN A 23 46.293 -7.855 6.227 1.00 0.00 H new ATOM 0 HA ASN A 23 45.602 -5.156 7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 23 47.307 -7.098 8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.895 -5.451 8.593 1.00 0.00 H new ATOM 0 HD21 ASN A 23 45.364 -5.948 11.509 1.00 0.00 H new ATOM 0 HD22 ASN A 23 46.691 -6.978 10.962 1.00 0.00 H new ATOM 353 N ASP A 24 48.483 -6.388 6.150 1.00 0.00 N ATOM 354 CA ASP A 24 49.626 -6.125 5.235 1.00 0.00 C ATOM 355 C ASP A 24 49.152 -5.971 3.785 1.00 0.00 C ATOM 356 O ASP A 24 48.402 -6.783 3.278 1.00 0.00 O ATOM 357 CB ASP A 24 50.547 -7.339 5.377 1.00 0.00 C ATOM 358 CG ASP A 24 51.799 -7.139 4.520 1.00 0.00 C ATOM 359 OD1 ASP A 24 52.358 -6.055 4.566 1.00 0.00 O ATOM 360 OD2 ASP A 24 52.177 -8.073 3.832 1.00 0.00 O ATOM 0 H ASP A 24 48.590 -7.210 6.744 1.00 0.00 H new ATOM 0 HA ASP A 24 50.135 -5.195 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 24 50.827 -7.475 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.023 -8.243 5.067 1.00 0.00 H new ATOM 365 N LEU A 25 49.600 -4.938 3.116 1.00 0.00 N ATOM 366 CA LEU A 25 49.195 -4.729 1.697 1.00 0.00 C ATOM 367 C LEU A 25 49.932 -5.742 0.823 1.00 0.00 C ATOM 368 O LEU A 25 51.088 -6.037 1.056 1.00 0.00 O ATOM 369 CB LEU A 25 49.625 -3.297 1.361 1.00 0.00 C ATOM 370 CG LEU A 25 49.189 -2.945 -0.066 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.673 -2.736 -0.105 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.886 -1.655 -0.511 1.00 0.00 C ATOM 0 H LEU A 25 50.230 -4.231 3.494 1.00 0.00 H new ATOM 0 HA LEU A 25 48.126 -4.864 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.180 -2.598 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.707 -3.201 1.455 1.00 0.00 H new ATOM 0 HG LEU A 25 49.462 -3.760 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.366 -2.486 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.171 -3.651 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.400 -1.922 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.576 -1.405 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.613 -0.843 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.966 -1.798 -0.487 1.00 0.00 H new ATOM 384 N GLN A 26 49.273 -6.287 -0.167 1.00 0.00 N ATOM 385 CA GLN A 26 49.936 -7.298 -1.052 1.00 0.00 C ATOM 386 C GLN A 26 51.199 -6.713 -1.693 1.00 0.00 C ATOM 387 O GLN A 26 51.159 -6.147 -2.770 1.00 0.00 O ATOM 388 CB GLN A 26 48.893 -7.657 -2.121 1.00 0.00 C ATOM 389 CG GLN A 26 48.455 -6.398 -2.880 1.00 0.00 C ATOM 390 CD GLN A 26 46.957 -6.475 -3.184 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.563 -6.865 -4.365 1.00 0.00 O flip ATOM 392 NE2 GLN A 26 46.138 -6.177 -2.338 1.00 0.00 N flip ATOM 0 H GLN A 26 48.303 -6.077 -0.403 1.00 0.00 H new ATOM 0 HA GLN A 26 50.254 -8.178 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 26 49.311 -8.383 -2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.028 -8.127 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.670 -5.510 -2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.020 -6.306 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.446 -5.872 -1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.142 -6.232 -2.551 1.00 0.00 H new ATOM 401 N LEU A 27 52.322 -6.856 -1.035 1.00 0.00 N ATOM 402 CA LEU A 27 53.592 -6.322 -1.598 1.00 0.00 C ATOM 403 C LEU A 27 54.141 -7.282 -2.653 1.00 0.00 C ATOM 404 O LEU A 27 53.487 -8.230 -3.044 1.00 0.00 O ATOM 405 CB LEU A 27 54.546 -6.195 -0.406 1.00 0.00 C ATOM 406 CG LEU A 27 54.445 -4.794 0.182 1.00 0.00 C ATOM 407 CD1 LEU A 27 54.737 -4.852 1.683 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.468 -3.890 -0.500 1.00 0.00 C ATOM 0 H LEU A 27 52.411 -7.321 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 27 53.455 -5.361 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.297 -6.937 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.570 -6.394 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 27 53.442 -4.399 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 27 54.665 -3.850 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 54.012 -5.504 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 27 55.742 -5.243 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.401 -2.885 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.470 -4.285 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.265 -3.853 -1.570 1.00 0.00 H new ATOM 420 N ARG A 28 55.329 -7.027 -3.129 1.00 0.00 N ATOM 421 CA ARG A 28 55.937 -7.899 -4.182 1.00 0.00 C ATOM 422 C ARG A 28 57.378 -7.459 -4.442 1.00 0.00 C ATOM 423 O ARG A 28 57.991 -6.798 -3.624 1.00 0.00 O ATOM 424 CB ARG A 28 55.080 -7.677 -5.436 1.00 0.00 C ATOM 425 CG ARG A 28 54.853 -9.014 -6.147 1.00 0.00 C ATOM 426 CD ARG A 28 53.599 -8.922 -7.018 1.00 0.00 C ATOM 427 NE ARG A 28 53.009 -10.289 -6.987 1.00 0.00 N ATOM 428 CZ ARG A 28 51.739 -10.446 -6.735 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.275 -10.203 -5.539 1.00 0.00 N ATOM 430 NH2 ARG A 28 50.931 -10.845 -7.679 1.00 0.00 N ATOM 0 H ARG A 28 55.912 -6.245 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 28 55.960 -8.949 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.123 -7.233 -5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.575 -6.976 -6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.718 -9.263 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.742 -9.813 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.901 -8.182 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.846 -8.622 -8.036 1.00 0.00 H new ATOM 0 HE ARG A 28 53.598 -11.103 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.906 -9.890 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.282 -10.326 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 28 51.293 -11.034 -8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.938 -10.968 -7.482 1.00 0.00 H new ATOM 444 N LYS A 29 57.916 -7.813 -5.580 1.00 0.00 N ATOM 445 CA LYS A 29 59.306 -7.409 -5.908 1.00 0.00 C ATOM 446 C LYS A 29 59.361 -6.818 -7.323 1.00 0.00 C ATOM 447 O LYS A 29 58.892 -7.411 -8.276 1.00 0.00 O ATOM 448 CB LYS A 29 60.142 -8.695 -5.781 1.00 0.00 C ATOM 449 CG LYS A 29 59.845 -9.640 -6.948 1.00 0.00 C ATOM 450 CD LYS A 29 59.936 -11.091 -6.474 1.00 0.00 C ATOM 451 CE LYS A 29 61.333 -11.641 -6.774 1.00 0.00 C ATOM 452 NZ LYS A 29 61.114 -13.068 -7.138 1.00 0.00 N ATOM 0 H LYS A 29 57.446 -8.367 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 29 59.689 -6.634 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 29 61.203 -8.447 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.918 -9.191 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 29 58.850 -9.439 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.554 -9.467 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 29 59.733 -11.149 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.180 -11.696 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.806 -11.094 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.988 -11.551 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 62.027 -13.514 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.669 -13.565 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 60.493 -13.123 -7.970 1.00 0.00 H new ATOM 466 N GLY A 30 59.928 -5.653 -7.452 1.00 0.00 N ATOM 467 CA GLY A 30 60.022 -4.995 -8.790 1.00 0.00 C ATOM 468 C GLY A 30 58.805 -4.089 -9.022 1.00 0.00 C ATOM 469 O GLY A 30 58.859 -3.174 -9.821 1.00 0.00 O ATOM 0 H GLY A 30 60.335 -5.121 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.938 -4.408 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.076 -5.752 -9.573 1.00 0.00 H new ATOM 473 N ASP A 31 57.712 -4.332 -8.336 1.00 0.00 N ATOM 474 CA ASP A 31 56.503 -3.482 -8.521 1.00 0.00 C ATOM 475 C ASP A 31 56.580 -2.266 -7.599 1.00 0.00 C ATOM 476 O ASP A 31 57.511 -2.129 -6.835 1.00 0.00 O ATOM 477 CB ASP A 31 55.324 -4.376 -8.138 1.00 0.00 C ATOM 478 CG ASP A 31 54.762 -5.048 -9.392 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.462 -5.866 -9.966 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.641 -4.733 -9.756 1.00 0.00 O ATOM 0 H ASP A 31 57.610 -5.085 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 31 56.408 -3.107 -9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.645 -5.132 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.549 -3.784 -7.652 1.00 0.00 H new ATOM 485 N GLU A 32 55.614 -1.385 -7.662 1.00 0.00 N ATOM 486 CA GLU A 32 55.642 -0.176 -6.777 1.00 0.00 C ATOM 487 C GLU A 32 54.220 0.141 -6.302 1.00 0.00 C ATOM 488 O GLU A 32 53.255 -0.370 -6.839 1.00 0.00 O ATOM 489 CB GLU A 32 56.195 0.971 -7.636 1.00 0.00 C ATOM 490 CG GLU A 32 57.438 0.534 -8.421 1.00 0.00 C ATOM 491 CD GLU A 32 57.007 -0.066 -9.762 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.323 0.621 -10.503 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.367 -1.201 -10.023 1.00 0.00 O ATOM 0 H GLU A 32 54.809 -1.448 -8.285 1.00 0.00 H new ATOM 0 HA GLU A 32 56.260 -0.331 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.426 1.311 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.446 1.818 -6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.096 1.387 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.005 -0.199 -7.847 1.00 0.00 H new ATOM 500 N TYR A 33 54.085 0.949 -5.279 1.00 0.00 N ATOM 501 CA TYR A 33 52.725 1.261 -4.744 1.00 0.00 C ATOM 502 C TYR A 33 52.569 2.756 -4.465 1.00 0.00 C ATOM 503 O TYR A 33 53.370 3.568 -4.881 1.00 0.00 O ATOM 504 CB TYR A 33 52.637 0.499 -3.418 1.00 0.00 C ATOM 505 CG TYR A 33 53.147 -0.913 -3.579 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.373 -1.867 -4.243 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.406 -1.252 -3.079 1.00 0.00 C ATOM 508 CE1 TYR A 33 52.858 -3.165 -4.403 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.894 -2.546 -3.242 1.00 0.00 C ATOM 510 CZ TYR A 33 54.120 -3.506 -3.904 1.00 0.00 C ATOM 511 OH TYR A 33 54.601 -4.783 -4.072 1.00 0.00 O ATOM 0 H TYR A 33 54.857 1.405 -4.793 1.00 0.00 H new ATOM 0 HA TYR A 33 51.950 0.980 -5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.220 1.017 -2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.604 0.480 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.401 -1.600 -4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.001 -0.511 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.260 -3.906 -4.912 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.869 -2.809 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 33 54.811 -4.932 -5.018 1.00 0.00 H new ATOM 521 N PHE A 34 51.538 3.107 -3.739 1.00 0.00 N ATOM 522 CA PHE A 34 51.300 4.539 -3.386 1.00 0.00 C ATOM 523 C PHE A 34 51.296 4.714 -1.867 1.00 0.00 C ATOM 524 O PHE A 34 50.604 4.009 -1.158 1.00 0.00 O ATOM 525 CB PHE A 34 49.932 4.876 -3.972 1.00 0.00 C ATOM 526 CG PHE A 34 50.118 5.450 -5.356 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.437 4.609 -6.427 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.988 6.829 -5.561 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.623 5.146 -7.707 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.176 7.366 -6.839 1.00 0.00 C ATOM 531 CZ PHE A 34 50.493 6.525 -7.912 1.00 0.00 C ATOM 0 H PHE A 34 50.844 2.456 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 34 52.078 5.194 -3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.310 3.982 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.415 5.592 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.540 3.546 -6.267 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.743 7.478 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.866 4.497 -8.535 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.077 8.430 -6.998 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.637 6.940 -8.899 1.00 0.00 H new ATOM 541 N ILE A 35 52.076 5.638 -1.365 1.00 0.00 N ATOM 542 CA ILE A 35 52.141 5.848 0.115 1.00 0.00 C ATOM 543 C ILE A 35 51.227 6.989 0.569 1.00 0.00 C ATOM 544 O ILE A 35 51.395 8.128 0.178 1.00 0.00 O ATOM 545 CB ILE A 35 53.600 6.218 0.413 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.558 5.152 -0.135 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.802 6.353 1.926 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.245 3.784 0.475 1.00 0.00 C ATOM 0 H ILE A 35 52.671 6.257 -1.916 1.00 0.00 H new ATOM 0 HA ILE A 35 51.813 4.952 0.642 1.00 0.00 H new ATOM 0 HB ILE A 35 53.818 7.168 -0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.472 5.101 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.588 5.430 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.839 6.616 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.146 7.133 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.564 5.406 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.934 3.041 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.355 3.835 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.222 3.501 0.227 1.00 0.00 H new ATOM 560 N LEU A 36 50.297 6.690 1.434 1.00 0.00 N ATOM 561 CA LEU A 36 49.400 7.750 1.979 1.00 0.00 C ATOM 562 C LEU A 36 50.009 8.278 3.286 1.00 0.00 C ATOM 563 O LEU A 36 49.824 9.420 3.660 1.00 0.00 O ATOM 564 CB LEU A 36 48.067 7.049 2.245 1.00 0.00 C ATOM 565 CG LEU A 36 47.312 6.868 0.926 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.664 5.508 0.321 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.806 6.934 1.188 1.00 0.00 C ATOM 0 H LEU A 36 50.118 5.751 1.789 1.00 0.00 H new ATOM 0 HA LEU A 36 49.271 8.595 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.241 6.080 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.468 7.636 2.941 1.00 0.00 H new ATOM 0 HG LEU A 36 47.596 7.660 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.127 5.378 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.737 5.459 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.379 4.717 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.267 6.805 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.522 6.142 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.554 7.902 1.621 1.00 0.00 H new ATOM 579 N GLU A 37 50.748 7.439 3.969 1.00 0.00 N ATOM 580 CA GLU A 37 51.405 7.839 5.244 1.00 0.00 C ATOM 581 C GLU A 37 52.387 6.734 5.643 1.00 0.00 C ATOM 582 O GLU A 37 52.598 5.800 4.892 1.00 0.00 O ATOM 583 CB GLU A 37 50.271 7.956 6.264 1.00 0.00 C ATOM 584 CG GLU A 37 50.524 9.158 7.176 1.00 0.00 C ATOM 585 CD GLU A 37 49.187 9.752 7.622 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.638 9.262 8.595 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.734 10.687 6.982 1.00 0.00 O ATOM 0 H GLU A 37 50.925 6.475 3.687 1.00 0.00 H new ATOM 0 HA GLU A 37 51.959 8.775 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.317 8.071 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.206 7.044 6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.106 8.852 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 37 51.110 9.911 6.649 1.00 0.00 H new ATOM 653 N PRO A 42 57.922 1.456 10.921 1.00 0.00 N ATOM 654 CA PRO A 42 58.339 1.130 9.527 1.00 0.00 C ATOM 655 C PRO A 42 57.172 0.635 8.658 1.00 0.00 C ATOM 656 O PRO A 42 57.206 0.768 7.449 1.00 0.00 O ATOM 657 CB PRO A 42 59.393 0.037 9.736 1.00 0.00 C ATOM 658 CG PRO A 42 59.558 -0.207 11.248 1.00 0.00 C ATOM 659 CD PRO A 42 58.747 0.852 12.005 1.00 0.00 C ATOM 0 HA PRO A 42 58.713 2.000 8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 42 59.088 -0.882 9.236 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.343 0.339 9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.212 -1.207 11.510 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.610 -0.150 11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.130 0.409 12.787 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.390 1.590 12.486 1.00 0.00 H new ATOM 667 N TRP A 43 56.139 0.093 9.249 1.00 0.00 N ATOM 668 CA TRP A 43 54.977 -0.380 8.432 1.00 0.00 C ATOM 669 C TRP A 43 54.133 0.836 8.046 1.00 0.00 C ATOM 670 O TRP A 43 53.834 1.666 8.887 1.00 0.00 O ATOM 671 CB TRP A 43 54.191 -1.305 9.358 1.00 0.00 C ATOM 672 CG TRP A 43 55.002 -2.507 9.694 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.975 -2.531 10.615 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.918 -3.853 9.145 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.508 -3.807 10.677 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.887 -4.660 9.787 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.107 -4.444 8.165 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.041 -6.009 9.468 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.257 -5.800 7.840 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.223 -6.582 8.491 1.00 0.00 C ATOM 0 H TRP A 43 56.048 -0.043 10.256 1.00 0.00 H new ATOM 0 HA TRP A 43 55.272 -0.893 7.517 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.920 -0.774 10.270 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.261 -1.608 8.877 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.292 -1.690 11.213 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.265 -4.083 11.302 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.361 -3.850 7.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.787 -6.606 9.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 53.626 -6.245 7.085 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.334 -7.626 8.237 1.00 0.00 H new ATOM 691 N TRP A 44 53.766 0.980 6.790 1.00 0.00 N ATOM 692 CA TRP A 44 52.972 2.182 6.396 1.00 0.00 C ATOM 693 C TRP A 44 51.521 1.808 6.091 1.00 0.00 C ATOM 694 O TRP A 44 51.045 0.760 6.461 1.00 0.00 O ATOM 695 CB TRP A 44 53.645 2.692 5.118 1.00 0.00 C ATOM 696 CG TRP A 44 55.104 2.961 5.320 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.722 3.245 6.493 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.128 2.986 4.300 1.00 0.00 C ATOM 699 NE1 TRP A 44 57.073 3.435 6.243 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.368 3.285 4.899 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.086 2.772 2.916 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.539 3.372 4.141 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.250 2.856 2.148 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.479 3.157 2.758 1.00 0.00 C ATOM 0 H TRP A 44 53.980 0.327 6.036 1.00 0.00 H new ATOM 0 HA TRP A 44 52.949 2.924 7.194 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.519 1.956 4.324 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.150 3.606 4.788 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.243 3.312 7.459 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.763 3.658 6.960 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.145 2.540 2.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.481 3.603 4.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.205 2.689 1.082 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.377 3.223 2.161 1.00 0.00 H new ATOM 715 N ARG A 45 50.837 2.668 5.387 1.00 0.00 N ATOM 716 CA ARG A 45 49.431 2.406 4.986 1.00 0.00 C ATOM 717 C ARG A 45 49.315 2.835 3.524 1.00 0.00 C ATOM 718 O ARG A 45 48.740 3.859 3.206 1.00 0.00 O ATOM 719 CB ARG A 45 48.571 3.288 5.892 1.00 0.00 C ATOM 720 CG ARG A 45 48.744 2.847 7.346 1.00 0.00 C ATOM 721 CD ARG A 45 47.644 3.475 8.205 1.00 0.00 C ATOM 722 NE ARG A 45 48.064 4.891 8.391 1.00 0.00 N ATOM 723 CZ ARG A 45 47.164 5.822 8.561 1.00 0.00 C ATOM 724 NH1 ARG A 45 46.518 6.300 7.533 1.00 0.00 N ATOM 725 NH2 ARG A 45 46.910 6.273 9.759 1.00 0.00 N ATOM 0 H ARG A 45 51.206 3.563 5.067 1.00 0.00 H new ATOM 0 HA ARG A 45 49.121 1.365 5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.860 4.333 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.523 3.215 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 45 48.698 1.760 7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 45 49.724 3.149 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.674 3.412 7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 45 47.549 2.962 9.162 1.00 0.00 H new ATOM 0 HE ARG A 45 49.055 5.134 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 45 46.716 5.947 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 45 45.815 7.027 7.666 1.00 0.00 H new ATOM 0 HH21 ARG A 45 47.414 5.898 10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 45 46.207 7.000 9.892 1.00 0.00 H new ATOM 739 N ALA A 46 49.910 2.076 2.643 1.00 0.00 N ATOM 740 CA ALA A 46 49.909 2.440 1.197 1.00 0.00 C ATOM 741 C ALA A 46 48.961 1.545 0.412 1.00 0.00 C ATOM 742 O ALA A 46 48.546 0.502 0.882 1.00 0.00 O ATOM 743 CB ALA A 46 51.356 2.205 0.750 1.00 0.00 C ATOM 0 H ALA A 46 50.402 1.211 2.866 1.00 0.00 H new ATOM 0 HA ALA A 46 49.575 3.464 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.454 2.448 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.024 2.840 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.621 1.160 0.908 1.00 0.00 H new ATOM 749 N ARG A 47 48.624 1.942 -0.788 1.00 0.00 N ATOM 750 CA ARG A 47 47.711 1.110 -1.614 1.00 0.00 C ATOM 751 C ARG A 47 48.451 0.581 -2.836 1.00 0.00 C ATOM 752 O ARG A 47 49.471 1.113 -3.231 1.00 0.00 O ATOM 753 CB ARG A 47 46.587 2.040 -2.047 1.00 0.00 C ATOM 754 CG ARG A 47 45.695 2.353 -0.850 1.00 0.00 C ATOM 755 CD ARG A 47 45.126 3.767 -0.992 1.00 0.00 C ATOM 756 NE ARG A 47 43.952 3.620 -1.896 1.00 0.00 N ATOM 757 CZ ARG A 47 43.000 4.513 -1.880 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.051 4.440 -0.985 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.996 5.478 -2.757 1.00 0.00 N ATOM 0 H ARG A 47 48.943 2.805 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 47 47.334 0.250 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.001 2.962 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.000 1.575 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.884 1.628 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.267 2.271 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.831 4.173 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.865 4.450 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 47 43.892 2.821 -2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.054 3.685 -0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.307 5.138 -0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 47 43.737 5.535 -3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.252 6.176 -2.744 1.00 0.00 H new ATOM 773 N ASP A 48 47.943 -0.461 -3.437 1.00 0.00 N ATOM 774 CA ASP A 48 48.613 -1.028 -4.637 1.00 0.00 C ATOM 775 C ASP A 48 47.875 -0.597 -5.913 1.00 0.00 C ATOM 776 O ASP A 48 47.236 0.437 -5.948 1.00 0.00 O ATOM 777 CB ASP A 48 48.553 -2.547 -4.430 1.00 0.00 C ATOM 778 CG ASP A 48 47.097 -3.037 -4.427 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.219 -2.245 -4.122 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.887 -4.200 -4.729 1.00 0.00 O ATOM 0 H ASP A 48 47.092 -0.943 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 48 49.640 -0.681 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.109 -3.049 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.032 -2.810 -3.487 1.00 0.00 H new ATOM 785 N LYS A 49 47.961 -1.383 -6.958 1.00 0.00 N ATOM 786 CA LYS A 49 47.270 -1.025 -8.232 1.00 0.00 C ATOM 787 C LYS A 49 45.894 -1.694 -8.296 1.00 0.00 C ATOM 788 O LYS A 49 45.487 -2.197 -9.325 1.00 0.00 O ATOM 789 CB LYS A 49 48.179 -1.562 -9.339 1.00 0.00 C ATOM 790 CG LYS A 49 49.216 -0.499 -9.707 1.00 0.00 C ATOM 791 CD LYS A 49 48.645 0.422 -10.786 1.00 0.00 C ATOM 792 CE LYS A 49 47.931 1.604 -10.125 1.00 0.00 C ATOM 793 NZ LYS A 49 48.188 2.760 -11.026 1.00 0.00 N ATOM 0 H LYS A 49 48.482 -2.260 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 49 47.104 0.048 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.678 -2.472 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.586 -1.826 -10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.486 0.081 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.128 -0.975 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 49 49.446 0.782 -11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 49 47.949 -0.129 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 49 46.863 1.413 -10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.319 1.790 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.730 3.610 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.213 2.922 -11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.802 2.557 -11.970 1.00 0.00 H new ATOM 807 N ASN A 50 45.176 -1.696 -7.202 1.00 0.00 N ATOM 808 CA ASN A 50 43.827 -2.320 -7.186 1.00 0.00 C ATOM 809 C ASN A 50 42.910 -1.601 -6.187 1.00 0.00 C ATOM 810 O ASN A 50 41.914 -2.146 -5.749 1.00 0.00 O ATOM 811 CB ASN A 50 44.064 -3.768 -6.753 1.00 0.00 C ATOM 812 CG ASN A 50 44.667 -4.557 -7.915 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.830 -4.908 -7.887 1.00 0.00 O ATOM 814 ND2 ASN A 50 43.921 -4.853 -8.944 1.00 0.00 N ATOM 0 H ASN A 50 45.472 -1.288 -6.315 1.00 0.00 H new ATOM 0 HA ASN A 50 43.337 -2.259 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.734 -3.796 -5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.124 -4.223 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 50 44.314 -5.379 -9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 50 42.945 -4.558 -8.968 1.00 0.00 H new ATOM 821 N GLY A 51 43.237 -0.382 -5.825 1.00 0.00 N ATOM 822 CA GLY A 51 42.384 0.374 -4.859 1.00 0.00 C ATOM 823 C GLY A 51 42.315 -0.377 -3.528 1.00 0.00 C ATOM 824 O GLY A 51 41.301 -0.369 -2.856 1.00 0.00 O ATOM 0 H GLY A 51 44.060 0.120 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 51 42.793 1.372 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.381 0.501 -5.267 1.00 0.00 H new ATOM 828 N GLN A 52 43.385 -1.027 -3.145 1.00 0.00 N ATOM 829 CA GLN A 52 43.387 -1.782 -1.856 1.00 0.00 C ATOM 830 C GLN A 52 44.419 -1.190 -0.894 1.00 0.00 C ATOM 831 O GLN A 52 45.574 -1.022 -1.239 1.00 0.00 O ATOM 832 CB GLN A 52 43.769 -3.212 -2.237 1.00 0.00 C ATOM 833 CG GLN A 52 42.504 -4.012 -2.552 1.00 0.00 C ATOM 834 CD GLN A 52 42.892 -5.420 -3.011 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.546 -6.148 -2.292 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.511 -5.837 -4.188 1.00 0.00 N ATOM 0 H GLN A 52 44.258 -1.067 -3.670 1.00 0.00 H new ATOM 0 HA GLN A 52 42.422 -1.737 -1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.432 -3.204 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.316 -3.683 -1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.867 -4.068 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.928 -3.510 -3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.962 -5.226 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 52 42.763 -6.774 -4.503 1.00 0.00 H new ATOM 845 N GLU A 53 44.004 -0.878 0.309 1.00 0.00 N ATOM 846 CA GLU A 53 44.945 -0.297 1.317 1.00 0.00 C ATOM 847 C GLU A 53 45.476 -1.405 2.232 1.00 0.00 C ATOM 848 O GLU A 53 44.766 -2.344 2.543 1.00 0.00 O ATOM 849 CB GLU A 53 44.103 0.687 2.139 1.00 0.00 C ATOM 850 CG GLU A 53 43.484 1.754 1.231 1.00 0.00 C ATOM 851 CD GLU A 53 42.194 2.277 1.867 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.193 2.487 3.069 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.231 2.458 1.141 1.00 0.00 O ATOM 0 H GLU A 53 43.047 -1.002 0.638 1.00 0.00 H new ATOM 0 HA GLU A 53 45.800 0.186 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.315 0.148 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.726 1.163 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 53 44.187 2.573 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.273 1.333 0.248 1.00 0.00 H new ATOM 860 N GLY A 54 46.708 -1.306 2.673 1.00 0.00 N ATOM 861 CA GLY A 54 47.258 -2.363 3.578 1.00 0.00 C ATOM 862 C GLY A 54 48.503 -1.829 4.279 1.00 0.00 C ATOM 863 O GLY A 54 48.784 -0.646 4.230 1.00 0.00 O ATOM 0 H GLY A 54 47.350 -0.546 2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.509 -2.653 4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.505 -3.257 3.005 1.00 0.00 H new ATOM 867 N TYR A 55 49.254 -2.684 4.931 1.00 0.00 N ATOM 868 CA TYR A 55 50.478 -2.202 5.629 1.00 0.00 C ATOM 869 C TYR A 55 51.743 -2.526 4.825 1.00 0.00 C ATOM 870 O TYR A 55 51.817 -3.520 4.130 1.00 0.00 O ATOM 871 CB TYR A 55 50.485 -2.898 6.991 1.00 0.00 C ATOM 872 CG TYR A 55 49.754 -2.045 7.999 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.439 -1.631 7.745 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.388 -1.669 9.190 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.761 -0.840 8.681 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.709 -0.879 10.126 1.00 0.00 C ATOM 877 CZ TYR A 55 48.396 -0.465 9.871 1.00 0.00 C ATOM 878 OH TYR A 55 47.727 0.314 10.794 1.00 0.00 O ATOM 0 H TYR A 55 49.071 -3.685 5.007 1.00 0.00 H new ATOM 0 HA TYR A 55 50.470 -1.118 5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.009 -3.876 6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.511 -3.068 7.319 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.949 -1.922 6.828 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.401 -1.988 9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.749 -0.519 8.485 1.00 0.00 H new ATOM 0 HE2 TYR A 55 50.198 -0.589 11.044 1.00 0.00 H new ATOM 0 HH TYR A 55 48.310 0.483 11.563 1.00 0.00 H new ATOM 888 N ILE A 56 52.728 -1.664 4.906 1.00 0.00 N ATOM 889 CA ILE A 56 54.000 -1.864 4.136 1.00 0.00 C ATOM 890 C ILE A 56 55.244 -1.631 5.028 1.00 0.00 C ATOM 891 O ILE A 56 55.523 -0.497 5.368 1.00 0.00 O ATOM 892 CB ILE A 56 53.940 -0.765 3.055 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.800 -1.057 2.078 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.264 -0.683 2.278 1.00 0.00 C ATOM 895 CD1 ILE A 56 53.010 -2.426 1.445 1.00 0.00 C ATOM 0 H ILE A 56 52.706 -0.820 5.479 1.00 0.00 H new ATOM 0 HA ILE A 56 54.085 -2.876 3.741 1.00 0.00 H new ATOM 0 HB ILE A 56 53.766 0.189 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.844 -1.029 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.764 -0.289 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.195 0.099 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.076 -0.451 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.461 -1.639 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 56 52.197 -2.634 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.959 -2.437 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 56 53.024 -3.189 2.224 1.00 0.00 H new ATOM 907 N PRO A 57 55.995 -2.676 5.343 1.00 0.00 N ATOM 908 CA PRO A 57 57.228 -2.481 6.141 1.00 0.00 C ATOM 909 C PRO A 57 58.223 -1.639 5.326 1.00 0.00 C ATOM 910 O PRO A 57 58.467 -1.904 4.165 1.00 0.00 O ATOM 911 CB PRO A 57 57.730 -3.912 6.354 1.00 0.00 C ATOM 912 CG PRO A 57 56.748 -4.885 5.675 1.00 0.00 C ATOM 913 CD PRO A 57 55.670 -4.074 4.950 1.00 0.00 C ATOM 0 HA PRO A 57 57.083 -1.955 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.729 -4.029 5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.804 -4.132 7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.278 -5.524 4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.292 -5.540 6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.717 -4.212 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.667 -4.361 5.265 1.00 0.00 H new ATOM 921 N SER A 58 58.767 -0.606 5.918 1.00 0.00 N ATOM 922 CA SER A 58 59.721 0.295 5.183 1.00 0.00 C ATOM 923 C SER A 58 60.809 -0.490 4.438 1.00 0.00 C ATOM 924 O SER A 58 61.086 -0.230 3.282 1.00 0.00 O ATOM 925 CB SER A 58 60.354 1.168 6.268 1.00 0.00 C ATOM 926 OG SER A 58 59.432 2.179 6.654 1.00 0.00 O ATOM 0 H SER A 58 58.592 -0.342 6.888 1.00 0.00 H new ATOM 0 HA SER A 58 59.198 0.873 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.625 0.558 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.273 1.621 5.897 1.00 0.00 H new ATOM 0 HG SER A 58 58.700 2.220 6.004 1.00 0.00 H new ATOM 932 N ASN A 59 61.435 -1.431 5.093 1.00 0.00 N ATOM 933 CA ASN A 59 62.521 -2.219 4.428 1.00 0.00 C ATOM 934 C ASN A 59 61.987 -2.945 3.190 1.00 0.00 C ATOM 935 O ASN A 59 62.654 -3.055 2.180 1.00 0.00 O ATOM 936 CB ASN A 59 62.993 -3.215 5.501 1.00 0.00 C ATOM 937 CG ASN A 59 61.940 -4.303 5.754 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.909 -4.041 6.341 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.162 -5.520 5.335 1.00 0.00 N ATOM 0 H ASN A 59 61.243 -1.690 6.061 1.00 0.00 H new ATOM 0 HA ASN A 59 63.335 -1.587 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.928 -3.677 5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.199 -2.682 6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.470 -6.251 5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.028 -5.740 4.842 1.00 0.00 H new ATOM 946 N TYR A 60 60.796 -3.456 3.288 1.00 0.00 N ATOM 947 CA TYR A 60 60.194 -4.210 2.142 1.00 0.00 C ATOM 948 C TYR A 60 59.980 -3.313 0.911 1.00 0.00 C ATOM 949 O TYR A 60 59.719 -3.809 -0.169 1.00 0.00 O ATOM 950 CB TYR A 60 58.850 -4.734 2.666 1.00 0.00 C ATOM 951 CG TYR A 60 58.961 -6.213 2.962 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.360 -6.646 4.232 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.666 -7.149 1.964 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.466 -8.015 4.503 1.00 0.00 C ATOM 955 CE2 TYR A 60 58.772 -8.518 2.235 1.00 0.00 C ATOM 956 CZ TYR A 60 59.171 -8.951 3.505 1.00 0.00 C ATOM 957 OH TYR A 60 59.275 -10.301 3.772 1.00 0.00 O ATOM 0 H TYR A 60 60.204 -3.387 4.116 1.00 0.00 H new ATOM 0 HA TYR A 60 60.854 -5.012 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.564 -4.193 3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.067 -4.559 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.586 -5.924 5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.357 -6.815 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.775 -8.349 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.546 -9.240 1.464 1.00 0.00 H new ATOM 0 HH TYR A 60 59.034 -10.812 2.972 1.00 0.00 H new ATOM 967 N VAL A 61 60.084 -2.010 1.048 1.00 0.00 N ATOM 968 CA VAL A 61 59.881 -1.122 -0.148 1.00 0.00 C ATOM 969 C VAL A 61 60.896 0.021 -0.177 1.00 0.00 C ATOM 970 O VAL A 61 61.634 0.245 0.764 1.00 0.00 O ATOM 971 CB VAL A 61 58.468 -0.550 -0.024 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.449 -1.682 -0.115 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.312 0.172 1.316 1.00 0.00 C ATOM 0 H VAL A 61 60.297 -1.528 1.921 1.00 0.00 H new ATOM 0 HA VAL A 61 60.015 -1.691 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 61 58.298 0.160 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.442 -1.273 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.552 -2.188 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.624 -2.394 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.303 0.576 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.487 -0.531 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.035 0.986 1.377 1.00 0.00 H new ATOM 983 N THR A 62 60.918 0.751 -1.262 1.00 0.00 N ATOM 984 CA THR A 62 61.857 1.901 -1.393 1.00 0.00 C ATOM 985 C THR A 62 61.169 3.018 -2.207 1.00 0.00 C ATOM 986 O THR A 62 60.018 3.325 -1.968 1.00 0.00 O ATOM 987 CB THR A 62 63.089 1.325 -2.107 1.00 0.00 C ATOM 988 OG1 THR A 62 64.054 2.353 -2.284 1.00 0.00 O ATOM 989 CG2 THR A 62 62.688 0.762 -3.472 1.00 0.00 C ATOM 0 H THR A 62 60.317 0.596 -2.072 1.00 0.00 H new ATOM 0 HA THR A 62 62.145 2.347 -0.441 1.00 0.00 H new ATOM 0 HB THR A 62 63.512 0.523 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.842 1.987 -2.738 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.568 0.356 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.950 -0.029 -3.337 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.260 1.557 -4.082 1.00 0.00 H new ATOM 997 N GLU A 63 61.843 3.626 -3.157 1.00 0.00 N ATOM 998 CA GLU A 63 61.195 4.706 -3.961 1.00 0.00 C ATOM 999 C GLU A 63 60.517 4.108 -5.196 1.00 0.00 C ATOM 1000 O GLU A 63 60.995 3.152 -5.776 1.00 0.00 O ATOM 1001 CB GLU A 63 62.335 5.639 -4.370 1.00 0.00 C ATOM 1002 CG GLU A 63 62.510 6.726 -3.307 1.00 0.00 C ATOM 1003 CD GLU A 63 63.966 7.197 -3.294 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.562 7.247 -4.357 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.459 7.500 -2.219 1.00 0.00 O ATOM 0 H GLU A 63 62.810 3.420 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 63 60.424 5.233 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.260 5.073 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.119 6.093 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.847 7.565 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.233 6.339 -2.326 1.00 0.00 H new ATOM 1012 N ALA A 64 59.399 4.662 -5.598 1.00 0.00 N ATOM 1013 CA ALA A 64 58.667 4.126 -6.792 1.00 0.00 C ATOM 1014 C ALA A 64 59.596 4.040 -8.010 1.00 0.00 C ATOM 1015 O ALA A 64 59.478 3.146 -8.829 1.00 0.00 O ATOM 1016 CB ALA A 64 57.543 5.128 -7.054 1.00 0.00 C ATOM 0 H ALA A 64 58.959 5.466 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 64 58.290 3.119 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.960 4.804 -7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.895 5.185 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.971 6.110 -7.254 1.00 0.00 H new