USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 13 GLN : amide:sc= 1.01 K(o=1.5,f=-0.52) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.455 K(o=1.5,f=0.72) USER MOD Single : A 4 ASN : amide:sc= -0.578 K(o=-0.58,f=-1.4) USER MOD Single : A 6 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.12) USER MOD Single : A 7 THR OG1 : rot 121:sc= 0.117 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 154:sc= -0.0335 (180deg=-0.625) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 26 ASN : amide:sc= 0.757 K(o=0.76,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot -53:sc= 0.0506 USER MOD Single : A3295 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.0042) USER MOD Single : A3302 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0674) USER MOD Single : A3306 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -16.093 13.599 -4.112 1.00 0.00 N ATOM 33 CA ILE A 3 -15.074 12.888 -4.895 1.00 0.00 C ATOM 34 C ILE A 3 -14.893 11.488 -4.313 1.00 0.00 C ATOM 35 O ILE A 3 -15.238 11.230 -3.163 1.00 0.00 O ATOM 36 CB ILE A 3 -13.766 13.714 -4.936 1.00 0.00 C ATOM 37 CG1 ILE A 3 -12.619 13.067 -5.731 1.00 0.00 C ATOM 38 CG2 ILE A 3 -13.242 14.018 -3.529 1.00 0.00 C ATOM 39 CD1 ILE A 3 -12.902 12.823 -7.208 1.00 0.00 C ATOM 0 HA ILE A 3 -15.389 12.770 -5.932 1.00 0.00 H new ATOM 0 HB ILE A 3 -14.059 14.628 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.738 13.704 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.369 12.114 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.323 14.599 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.990 14.588 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -13.040 13.083 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.030 12.364 -7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -13.760 12.158 -7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.119 13.772 -7.698 1.00 0.00 H new ATOM 51 N ASN A 4 -14.292 10.621 -5.120 1.00 0.00 N ATOM 52 CA ASN A 4 -13.970 9.222 -4.905 1.00 0.00 C ATOM 53 C ASN A 4 -12.465 8.990 -5.065 1.00 0.00 C ATOM 54 O ASN A 4 -11.834 8.585 -4.100 1.00 0.00 O ATOM 55 CB ASN A 4 -14.824 8.356 -5.841 1.00 0.00 C ATOM 56 CG ASN A 4 -14.636 8.774 -7.288 1.00 0.00 C ATOM 57 OD1 ASN A 4 -15.080 9.836 -7.711 1.00 0.00 O ATOM 58 ND2 ASN A 4 -13.836 8.057 -8.033 1.00 0.00 N ATOM 0 H ASN A 4 -13.985 10.920 -6.046 1.00 0.00 H new ATOM 0 HA ASN A 4 -14.212 8.928 -3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -14.551 7.307 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -15.875 8.444 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.581 8.381 -8.966 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.467 7.174 -7.681 1.00 0.00 H new ATOM 65 N GLU A 5 -11.845 9.375 -6.186 1.00 0.00 N ATOM 66 CA GLU A 5 -10.406 9.173 -6.441 1.00 0.00 C ATOM 67 C GLU A 5 -9.522 9.837 -5.382 1.00 0.00 C ATOM 68 O GLU A 5 -8.495 9.290 -4.978 1.00 0.00 O ATOM 69 CB GLU A 5 -9.988 9.678 -7.827 1.00 0.00 C ATOM 70 CG GLU A 5 -10.315 8.680 -8.942 1.00 0.00 C ATOM 71 CD GLU A 5 -9.484 8.986 -10.188 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.732 10.029 -10.825 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.538 8.222 -10.485 1.00 0.00 O ATOM 0 H GLU A 5 -12.330 9.841 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.256 8.094 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.491 10.623 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.917 9.880 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.112 7.665 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.377 8.729 -9.184 1.00 0.00 H new ATOM 80 N GLN A 6 -9.929 11.014 -4.915 1.00 0.00 N ATOM 81 CA GLN A 6 -9.202 11.753 -3.891 1.00 0.00 C ATOM 82 C GLN A 6 -9.439 11.092 -2.531 1.00 0.00 C ATOM 83 O GLN A 6 -8.623 11.244 -1.624 1.00 0.00 O ATOM 84 CB GLN A 6 -9.557 13.244 -3.899 1.00 0.00 C ATOM 85 CG GLN A 6 -9.093 13.940 -5.193 1.00 0.00 C ATOM 86 CD GLN A 6 -9.577 15.380 -5.304 1.00 0.00 C ATOM 87 OE1 GLN A 6 -9.293 16.211 -4.438 1.00 0.00 O ATOM 88 NE2 GLN A 6 -10.281 15.716 -6.367 1.00 0.00 N ATOM 0 H GLN A 6 -10.775 11.482 -5.238 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.135 11.712 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.635 13.361 -3.791 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.096 13.731 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.004 13.925 -5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.454 13.374 -6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.506 15.014 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.601 16.678 -6.484 1.00 0.00 H new ATOM 97 N THR A 7 -10.573 10.410 -2.326 1.00 0.00 N ATOM 98 CA THR A 7 -10.828 9.733 -1.057 1.00 0.00 C ATOM 99 C THR A 7 -9.965 8.483 -0.906 1.00 0.00 C ATOM 100 O THR A 7 -9.524 8.220 0.208 1.00 0.00 O ATOM 101 CB THR A 7 -12.296 9.341 -0.953 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.054 10.532 -1.041 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.570 8.611 0.364 1.00 0.00 C ATOM 0 H THR A 7 -11.318 10.315 -3.016 1.00 0.00 H new ATOM 0 HA THR A 7 -10.573 10.430 -0.259 1.00 0.00 H new ATOM 0 HB THR A 7 -12.570 8.656 -1.756 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.663 10.476 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.624 8.340 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.961 7.709 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.320 9.264 1.201 1.00 0.00 H new ATOM 111 N LEU A 8 -9.626 7.783 -1.993 1.00 0.00 N ATOM 112 CA LEU A 8 -8.822 6.561 -2.004 1.00 0.00 C ATOM 113 C LEU A 8 -7.538 6.850 -1.252 1.00 0.00 C ATOM 114 O LEU A 8 -7.010 5.935 -0.651 1.00 0.00 O ATOM 115 CB LEU A 8 -8.459 6.127 -3.433 1.00 0.00 C ATOM 116 CG LEU A 8 -9.599 6.156 -4.465 1.00 0.00 C ATOM 117 CD1 LEU A 8 -9.152 5.598 -5.812 1.00 0.00 C ATOM 118 CD2 LEU A 8 -10.836 5.385 -4.023 1.00 0.00 C ATOM 0 H LEU A 8 -9.918 8.066 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.398 5.758 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.656 6.771 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.061 5.113 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.862 7.210 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.984 5.635 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.325 6.195 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.827 4.565 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.600 5.447 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.573 4.340 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.221 5.815 -3.098 1.00 0.00 H new ATOM 130 N ASP A 9 -7.042 8.092 -1.246 1.00 0.00 N ATOM 131 CA ASP A 9 -5.823 8.482 -0.546 1.00 0.00 C ATOM 132 C ASP A 9 -5.884 8.032 0.910 1.00 0.00 C ATOM 133 O ASP A 9 -4.904 7.469 1.395 1.00 0.00 O ATOM 134 CB ASP A 9 -5.619 9.997 -0.591 1.00 0.00 C ATOM 135 CG ASP A 9 -4.823 10.425 -1.815 1.00 0.00 C ATOM 136 OD1 ASP A 9 -3.609 10.137 -1.885 1.00 0.00 O ATOM 137 OD2 ASP A 9 -5.443 10.997 -2.731 1.00 0.00 O ATOM 0 H ASP A 9 -7.488 8.866 -1.738 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.985 7.999 -1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.589 10.494 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.100 10.321 0.311 1.00 0.00 H new ATOM 142 N LYS A 10 -7.007 8.234 1.622 1.00 0.00 N ATOM 143 CA LYS A 10 -7.093 7.804 3.025 1.00 0.00 C ATOM 144 C LYS A 10 -7.052 6.279 3.116 1.00 0.00 C ATOM 145 O LYS A 10 -6.740 5.722 4.176 1.00 0.00 O ATOM 146 CB LYS A 10 -8.298 8.405 3.781 1.00 0.00 C ATOM 147 CG LYS A 10 -9.623 7.689 3.509 1.00 0.00 C ATOM 148 CD LYS A 10 -10.846 8.248 4.215 1.00 0.00 C ATOM 149 CE LYS A 10 -10.702 8.113 5.730 1.00 0.00 C ATOM 150 NZ LYS A 10 -11.992 8.236 6.433 1.00 0.00 N ATOM 0 H LYS A 10 -7.848 8.682 1.258 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.217 8.203 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.094 8.375 4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.400 9.454 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.809 7.709 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.512 6.643 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.978 9.297 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.739 7.719 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.255 7.147 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.018 8.878 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.840 8.137 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.409 9.168 6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.638 7.490 6.105 1.00 0.00 H new ATOM 164 N LEU A 11 -7.525 5.595 2.077 1.00 0.00 N ATOM 165 CA LEU A 11 -7.549 4.151 2.003 1.00 0.00 C ATOM 166 C LEU A 11 -6.150 3.602 1.703 1.00 0.00 C ATOM 167 O LEU A 11 -5.617 2.812 2.474 1.00 0.00 O ATOM 168 CB LEU A 11 -8.594 3.660 0.976 1.00 0.00 C ATOM 169 CG LEU A 11 -10.095 3.828 1.299 1.00 0.00 C ATOM 170 CD1 LEU A 11 -10.483 3.426 2.720 1.00 0.00 C ATOM 171 CD2 LEU A 11 -10.638 5.230 1.029 1.00 0.00 C ATOM 0 H LEU A 11 -7.909 6.048 1.248 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.853 3.763 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.400 4.176 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.411 2.600 0.801 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.558 3.130 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.553 3.576 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.239 2.376 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.934 4.039 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.698 5.265 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.096 5.954 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.508 5.474 -0.025 1.00 0.00 H new ATOM 183 N ARG A 12 -5.490 4.035 0.627 1.00 0.00 N ATOM 184 CA ARG A 12 -4.163 3.551 0.238 1.00 0.00 C ATOM 185 C ARG A 12 -3.144 3.823 1.319 1.00 0.00 C ATOM 186 O ARG A 12 -2.360 2.934 1.619 1.00 0.00 O ATOM 187 CB ARG A 12 -3.744 4.100 -1.132 1.00 0.00 C ATOM 188 CG ARG A 12 -3.839 5.625 -1.215 1.00 0.00 C ATOM 189 CD ARG A 12 -3.012 6.230 -2.328 1.00 0.00 C ATOM 190 NE ARG A 12 -2.523 7.568 -1.977 1.00 0.00 N ATOM 191 CZ ARG A 12 -1.363 7.924 -1.417 1.00 0.00 C ATOM 192 NH1 ARG A 12 -0.346 7.073 -1.311 1.00 0.00 N ATOM 193 NH2 ARG A 12 -1.267 9.151 -0.940 1.00 0.00 N ATOM 0 H ARG A 12 -5.866 4.740 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.215 2.468 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.720 3.792 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.375 3.659 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.882 5.907 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.519 6.052 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.165 5.579 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.612 6.289 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.159 8.336 -2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.440 6.120 -1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.528 7.374 -0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.061 9.788 -1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.399 9.462 -0.505 1.00 0.00 H new ATOM 207 N GLN A 13 -3.176 4.994 1.954 1.00 0.00 N ATOM 208 CA GLN A 13 -2.243 5.325 3.020 1.00 0.00 C ATOM 209 C GLN A 13 -2.389 4.331 4.183 1.00 0.00 C ATOM 210 O GLN A 13 -1.406 4.027 4.852 1.00 0.00 O ATOM 211 CB GLN A 13 -2.388 6.798 3.436 1.00 0.00 C ATOM 212 CG GLN A 13 -3.724 7.156 4.100 1.00 0.00 C ATOM 213 CD GLN A 13 -3.781 6.996 5.617 1.00 0.00 C ATOM 214 OE1 GLN A 13 -3.021 7.587 6.377 1.00 0.00 O ATOM 215 NE2 GLN A 13 -4.706 6.194 6.107 1.00 0.00 N ATOM 0 H GLN A 13 -3.847 5.733 1.743 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.220 5.222 2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.580 7.047 4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.259 7.424 2.553 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.963 8.191 3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.504 6.535 3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.339 5.701 5.477 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.788 6.066 7.116 1.00 0.00 H new ATOM 224 N ALA A 14 -3.595 3.808 4.432 1.00 0.00 N ATOM 225 CA ALA A 14 -3.848 2.852 5.498 1.00 0.00 C ATOM 226 C ALA A 14 -3.253 1.499 5.111 1.00 0.00 C ATOM 227 O ALA A 14 -2.531 0.885 5.902 1.00 0.00 O ATOM 228 CB ALA A 14 -5.359 2.719 5.715 1.00 0.00 C ATOM 0 H ALA A 14 -4.426 4.044 3.890 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.385 3.197 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.550 2.003 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.774 3.689 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.829 2.371 4.795 1.00 0.00 H new ATOM 234 N VAL A 15 -3.547 1.044 3.893 1.00 0.00 N ATOM 235 CA VAL A 15 -3.056 -0.233 3.376 1.00 0.00 C ATOM 236 C VAL A 15 -1.522 -0.204 3.320 1.00 0.00 C ATOM 237 O VAL A 15 -0.842 -1.120 3.777 1.00 0.00 O ATOM 238 CB VAL A 15 -3.683 -0.530 2.001 1.00 0.00 C ATOM 239 CG1 VAL A 15 -3.265 -1.907 1.475 1.00 0.00 C ATOM 240 CG2 VAL A 15 -5.212 -0.512 2.072 1.00 0.00 C ATOM 0 H VAL A 15 -4.136 1.554 3.234 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.353 -1.043 4.043 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.324 0.251 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.727 -2.081 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.180 -1.944 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.590 -2.678 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.625 -0.725 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.552 -1.269 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.549 0.471 2.402 1.00 0.00 H new ATOM 250 N LEU A 16 -0.948 0.893 2.827 1.00 0.00 N ATOM 251 CA LEU A 16 0.495 1.043 2.707 1.00 0.00 C ATOM 252 C LEU A 16 1.164 0.998 4.081 1.00 0.00 C ATOM 253 O LEU A 16 2.212 0.369 4.210 1.00 0.00 O ATOM 254 CB LEU A 16 0.882 2.229 1.794 1.00 0.00 C ATOM 255 CG LEU A 16 1.102 3.625 2.396 1.00 0.00 C ATOM 256 CD1 LEU A 16 2.464 3.756 3.085 1.00 0.00 C ATOM 257 CD2 LEU A 16 0.980 4.674 1.274 1.00 0.00 C ATOM 0 H LEU A 16 -1.475 1.703 2.500 1.00 0.00 H new ATOM 0 HA LEU A 16 0.906 0.183 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.800 1.952 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.103 2.322 1.037 1.00 0.00 H new ATOM 0 HG LEU A 16 0.342 3.787 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.570 4.761 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.535 3.027 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.257 3.574 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.134 5.670 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.732 4.479 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.013 4.616 0.828 1.00 0.00 H new ATOM 269 N GLN A 17 0.551 1.592 5.118 1.00 0.00 N ATOM 270 CA GLN A 17 1.101 1.603 6.476 1.00 0.00 C ATOM 271 C GLN A 17 1.236 0.180 7.030 1.00 0.00 C ATOM 272 O GLN A 17 2.310 -0.188 7.508 1.00 0.00 O ATOM 273 CB GLN A 17 0.231 2.480 7.399 1.00 0.00 C ATOM 274 CG GLN A 17 0.593 3.963 7.273 1.00 0.00 C ATOM 275 CD GLN A 17 -0.432 4.900 7.911 1.00 0.00 C ATOM 276 OE1 GLN A 17 -0.654 4.936 9.121 1.00 0.00 O ATOM 277 NE2 GLN A 17 -1.074 5.703 7.088 1.00 0.00 N ATOM 0 H GLN A 17 -0.342 2.078 5.034 1.00 0.00 H new ATOM 0 HA GLN A 17 2.101 2.034 6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.821 2.339 7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.360 2.160 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.565 4.132 7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.695 4.215 6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.883 5.666 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.762 6.362 7.452 1.00 0.00 H new ATOM 286 N LYS A 18 0.197 -0.659 6.955 1.00 0.00 N ATOM 287 CA LYS A 18 0.301 -2.025 7.462 1.00 0.00 C ATOM 288 C LYS A 18 1.212 -2.856 6.564 1.00 0.00 C ATOM 289 O LYS A 18 1.996 -3.652 7.076 1.00 0.00 O ATOM 290 CB LYS A 18 -1.094 -2.611 7.667 1.00 0.00 C ATOM 291 CG LYS A 18 -1.991 -2.560 6.425 1.00 0.00 C ATOM 292 CD LYS A 18 -3.484 -2.453 6.728 1.00 0.00 C ATOM 293 CE LYS A 18 -4.068 -3.778 7.223 1.00 0.00 C ATOM 294 NZ LYS A 18 -3.739 -4.136 8.616 1.00 0.00 N ATOM 0 H LYS A 18 -0.710 -0.419 6.555 1.00 0.00 H new ATOM 0 HA LYS A 18 0.776 -2.033 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.996 -3.648 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.585 -2.073 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.695 -1.708 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.817 -3.456 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.646 -1.682 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.014 -2.137 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.153 -3.737 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.718 -4.576 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.480 -4.758 8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.825 -4.631 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.680 -3.272 9.192 1.00 0.00 H new ATOM 308 N LYS A 19 1.215 -2.586 5.250 1.00 0.00 N ATOM 309 CA LYS A 19 2.064 -3.295 4.290 1.00 0.00 C ATOM 310 C LYS A 19 3.522 -3.212 4.716 1.00 0.00 C ATOM 311 O LYS A 19 4.241 -4.184 4.510 1.00 0.00 O ATOM 312 CB LYS A 19 1.916 -2.763 2.846 1.00 0.00 C ATOM 313 CG LYS A 19 0.936 -3.553 1.966 1.00 0.00 C ATOM 314 CD LYS A 19 1.264 -3.471 0.463 1.00 0.00 C ATOM 315 CE LYS A 19 0.178 -4.194 -0.340 1.00 0.00 C ATOM 316 NZ LYS A 19 0.563 -4.532 -1.731 1.00 0.00 N ATOM 0 H LYS A 19 0.627 -1.869 4.826 1.00 0.00 H new ATOM 0 HA LYS A 19 1.731 -4.333 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.588 -1.724 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.896 -2.769 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.942 -4.598 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.074 -3.177 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.328 -2.429 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.237 -3.923 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.091 -5.112 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.714 -3.568 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.227 -5.018 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.792 -3.660 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.395 -5.156 -1.719 1.00 0.00 H new ATOM 330 N ILE A 20 3.961 -2.116 5.350 1.00 0.00 N ATOM 331 CA ILE A 20 5.348 -1.965 5.787 1.00 0.00 C ATOM 332 C ILE A 20 5.749 -3.135 6.689 1.00 0.00 C ATOM 333 O ILE A 20 6.841 -3.680 6.543 1.00 0.00 O ATOM 334 CB ILE A 20 5.612 -0.615 6.496 1.00 0.00 C ATOM 335 CG1 ILE A 20 5.030 0.624 5.788 1.00 0.00 C ATOM 336 CG2 ILE A 20 7.125 -0.410 6.685 1.00 0.00 C ATOM 337 CD1 ILE A 20 5.348 0.721 4.297 1.00 0.00 C ATOM 0 H ILE A 20 3.367 -1.317 5.571 1.00 0.00 H new ATOM 0 HA ILE A 20 5.967 -1.971 4.890 1.00 0.00 H new ATOM 0 HB ILE A 20 5.090 -0.693 7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.947 0.622 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.407 1.518 6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.304 0.542 7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.529 -1.220 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.616 -0.407 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.897 1.624 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.428 0.759 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.946 -0.151 3.782 1.00 0.00 H new ATOM 349 N LYS A 21 4.882 -3.505 7.635 1.00 0.00 N ATOM 350 CA LYS A 21 5.125 -4.600 8.573 1.00 0.00 C ATOM 351 C LYS A 21 5.130 -5.942 7.847 1.00 0.00 C ATOM 352 O LYS A 21 5.836 -6.858 8.248 1.00 0.00 O ATOM 353 CB LYS A 21 3.994 -4.690 9.606 1.00 0.00 C ATOM 354 CG LYS A 21 3.566 -3.345 10.204 1.00 0.00 C ATOM 355 CD LYS A 21 2.457 -3.550 11.231 1.00 0.00 C ATOM 356 CE LYS A 21 1.846 -2.184 11.543 1.00 0.00 C ATOM 357 NZ LYS A 21 1.044 -2.165 12.782 1.00 0.00 N ATOM 0 H LYS A 21 3.981 -3.046 7.771 1.00 0.00 H new ATOM 0 HA LYS A 21 6.086 -4.398 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.128 -5.156 9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.311 -5.348 10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.421 -2.860 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.219 -2.681 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.697 -4.228 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.856 -4.005 12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.646 -1.448 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.216 -1.877 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.660 -1.210 12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.261 -2.844 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.645 -2.428 13.589 1.00 0.00 H new ATOM 371 N GLU A 22 4.348 -6.075 6.780 1.00 0.00 N ATOM 372 CA GLU A 22 4.269 -7.323 6.042 1.00 0.00 C ATOM 373 C GLU A 22 5.551 -7.517 5.243 1.00 0.00 C ATOM 374 O GLU A 22 6.198 -8.553 5.388 1.00 0.00 O ATOM 375 CB GLU A 22 3.013 -7.353 5.157 1.00 0.00 C ATOM 376 CG GLU A 22 1.752 -7.284 6.035 1.00 0.00 C ATOM 377 CD GLU A 22 0.439 -7.302 5.246 1.00 0.00 C ATOM 378 OE1 GLU A 22 -0.488 -6.554 5.636 1.00 0.00 O ATOM 379 OE2 GLU A 22 0.331 -8.016 4.218 1.00 0.00 O ATOM 0 H GLU A 22 3.760 -5.329 6.409 1.00 0.00 H new ATOM 0 HA GLU A 22 4.177 -8.158 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.028 -6.515 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.001 -8.264 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.758 -8.125 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.790 -6.375 6.636 1.00 0.00 H new ATOM 386 N ARG A 23 5.988 -6.509 4.484 1.00 0.00 N ATOM 387 CA ARG A 23 7.208 -6.611 3.684 1.00 0.00 C ATOM 388 C ARG A 23 8.453 -6.778 4.534 1.00 0.00 C ATOM 389 O ARG A 23 9.371 -7.483 4.118 1.00 0.00 O ATOM 390 CB ARG A 23 7.321 -5.455 2.676 1.00 0.00 C ATOM 391 CG ARG A 23 7.228 -4.021 3.239 1.00 0.00 C ATOM 392 CD ARG A 23 8.564 -3.364 3.570 1.00 0.00 C ATOM 393 NE ARG A 23 9.358 -3.273 2.340 1.00 0.00 N ATOM 394 CZ ARG A 23 10.530 -3.867 2.116 1.00 0.00 C ATOM 395 NH1 ARG A 23 11.346 -4.136 3.128 1.00 0.00 N ATOM 396 NH2 ARG A 23 10.869 -4.197 0.880 1.00 0.00 N ATOM 0 H ARG A 23 5.512 -5.610 4.408 1.00 0.00 H new ATOM 0 HA ARG A 23 7.130 -7.529 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.273 -5.553 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.535 -5.578 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.704 -3.397 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.618 -4.042 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.403 -2.371 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.096 -3.947 4.322 1.00 0.00 H new ATOM 0 HE ARG A 23 8.978 -2.702 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.077 -3.888 4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.242 -4.591 2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.235 -3.996 0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.764 -4.652 0.701 1.00 0.00 H new ATOM 410 N ILE A 24 8.521 -6.147 5.705 1.00 0.00 N ATOM 411 CA ILE A 24 9.685 -6.275 6.572 1.00 0.00 C ATOM 412 C ILE A 24 9.692 -7.639 7.274 1.00 0.00 C ATOM 413 O ILE A 24 10.751 -8.261 7.340 1.00 0.00 O ATOM 414 CB ILE A 24 9.734 -5.100 7.580 1.00 0.00 C ATOM 415 CG1 ILE A 24 11.069 -5.044 8.345 1.00 0.00 C ATOM 416 CG2 ILE A 24 8.564 -5.137 8.571 1.00 0.00 C ATOM 417 CD1 ILE A 24 11.018 -4.062 9.515 1.00 0.00 C ATOM 0 H ILE A 24 7.785 -5.544 6.072 1.00 0.00 H new ATOM 0 HA ILE A 24 10.588 -6.224 5.964 1.00 0.00 H new ATOM 0 HB ILE A 24 9.646 -4.193 6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.316 -6.038 8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.866 -4.752 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.642 -4.294 9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.623 -5.075 8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.595 -6.069 9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.981 -4.055 10.026 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.798 -3.062 9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.239 -4.368 10.213 1.00 0.00 H new ATOM 429 N GLN A 25 8.544 -8.104 7.786 1.00 0.00 N ATOM 430 CA GLN A 25 8.471 -9.363 8.512 1.00 0.00 C ATOM 431 C GLN A 25 8.508 -10.608 7.615 1.00 0.00 C ATOM 432 O GLN A 25 9.298 -11.523 7.849 1.00 0.00 O ATOM 433 CB GLN A 25 7.175 -9.329 9.341 1.00 0.00 C ATOM 434 CG GLN A 25 7.115 -10.371 10.446 1.00 0.00 C ATOM 435 CD GLN A 25 5.782 -10.271 11.176 1.00 0.00 C ATOM 436 OE1 GLN A 25 5.371 -9.206 11.644 1.00 0.00 O ATOM 437 NE2 GLN A 25 5.048 -11.357 11.277 1.00 0.00 N ATOM 0 H GLN A 25 7.651 -7.617 7.705 1.00 0.00 H new ATOM 0 HA GLN A 25 9.357 -9.451 9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.066 -8.339 9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.326 -9.474 8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.236 -11.369 10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.936 -10.220 11.147 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.386 -12.239 10.891 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.141 -11.318 11.742 1.00 0.00 H new ATOM 446 N ASN A 26 7.689 -10.634 6.556 1.00 0.00 N ATOM 447 CA ASN A 26 7.632 -11.781 5.648 1.00 0.00 C ATOM 448 C ASN A 26 8.892 -11.791 4.797 1.00 0.00 C ATOM 449 O ASN A 26 9.591 -12.800 4.739 1.00 0.00 O ATOM 450 CB ASN A 26 6.374 -11.751 4.757 1.00 0.00 C ATOM 451 CG ASN A 26 5.091 -11.919 5.559 1.00 0.00 C ATOM 452 OD1 ASN A 26 4.594 -13.025 5.734 1.00 0.00 O ATOM 453 ND2 ASN A 26 4.547 -10.823 6.062 1.00 0.00 N ATOM 0 H ASN A 26 7.057 -9.872 6.309 1.00 0.00 H new ATOM 0 HA ASN A 26 7.573 -12.694 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.339 -10.806 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.440 -12.544 4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.691 -10.885 6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.984 -9.916 5.899 1.00 0.00 H new ATOM 460 N SER A 27 9.210 -10.652 4.167 1.00 0.00 N ATOM 461 CA SER A 27 10.398 -10.496 3.321 1.00 0.00 C ATOM 462 C SER A 27 10.463 -11.534 2.178 1.00 0.00 C ATOM 463 O SER A 27 11.547 -11.858 1.690 1.00 0.00 O ATOM 464 CB SER A 27 11.621 -10.562 4.267 1.00 0.00 C ATOM 465 OG SER A 27 12.663 -9.664 3.934 1.00 0.00 O ATOM 0 H SER A 27 8.644 -9.806 4.232 1.00 0.00 H new ATOM 0 HA SER A 27 10.372 -9.540 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.290 -10.355 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.016 -11.578 4.261 1.00 0.00 H new ATOM 0 HG SER A 27 13.397 -9.763 4.575 1.00 0.00 H new ATOM 834 N ILE A3289 10.313 3.901 8.149 1.00 0.00 N ATOM 835 CA ILE A3289 11.734 4.130 7.918 1.00 0.00 C ATOM 836 C ILE A3289 11.909 4.609 6.475 1.00 0.00 C ATOM 837 O ILE A3289 11.912 3.823 5.524 1.00 0.00 O ATOM 838 CB ILE A3289 12.587 2.876 8.232 1.00 0.00 C ATOM 839 CG1 ILE A3289 12.242 2.198 9.581 1.00 0.00 C ATOM 840 CG2 ILE A3289 14.063 3.308 8.231 1.00 0.00 C ATOM 841 CD1 ILE A3289 12.916 0.829 9.760 1.00 0.00 C ATOM 0 HA ILE A3289 12.098 4.898 8.601 1.00 0.00 H new ATOM 0 HB ILE A3289 12.374 2.129 7.468 1.00 0.00 H new ATOM 0 HG12 ILE A3289 12.544 2.854 10.398 1.00 0.00 H new ATOM 0 HG13 ILE A3289 11.161 2.076 9.653 1.00 0.00 H new ATOM 0 HG21 ILE A3289 14.694 2.447 8.449 1.00 0.00 H new ATOM 0 HG22 ILE A3289 14.324 3.710 7.252 1.00 0.00 H new ATOM 0 HG23 ILE A3289 14.218 4.074 8.991 1.00 0.00 H new ATOM 0 HD11 ILE A3289 12.633 0.408 10.725 1.00 0.00 H new ATOM 0 HD12 ILE A3289 12.595 0.158 8.963 1.00 0.00 H new ATOM 0 HD13 ILE A3289 13.999 0.948 9.719 1.00 0.00 H new ATOM 853 N GLU A3290 12.037 5.916 6.294 1.00 0.00 N ATOM 854 CA GLU A3290 12.224 6.558 5.000 1.00 0.00 C ATOM 855 C GLU A3290 13.644 6.309 4.460 1.00 0.00 C ATOM 856 O GLU A3290 13.943 6.660 3.325 1.00 0.00 O ATOM 857 CB GLU A3290 11.842 8.041 5.139 1.00 0.00 C ATOM 858 CG GLU A3290 11.771 8.755 3.780 1.00 0.00 C ATOM 859 CD GLU A3290 11.198 10.166 3.876 1.00 0.00 C ATOM 860 OE1 GLU A3290 9.976 10.331 4.094 1.00 0.00 O ATOM 861 OE2 GLU A3290 11.941 11.145 3.652 1.00 0.00 O ATOM 0 H GLU A3290 12.013 6.580 7.068 1.00 0.00 H new ATOM 0 HA GLU A3290 11.569 6.123 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A3290 10.877 8.120 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A3290 12.572 8.544 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A3290 12.771 8.804 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A3290 11.158 8.166 3.098 1.00 0.00 H new ATOM 868 N THR A3291 14.536 5.698 5.244 1.00 0.00 N ATOM 869 CA THR A3291 15.914 5.416 4.857 1.00 0.00 C ATOM 870 C THR A3291 16.251 3.928 4.997 1.00 0.00 C ATOM 871 O THR A3291 17.242 3.557 5.620 1.00 0.00 O ATOM 872 CB THR A3291 16.852 6.414 5.567 1.00 0.00 C ATOM 873 OG1 THR A3291 18.182 6.334 5.108 1.00 0.00 O ATOM 874 CG2 THR A3291 16.807 6.331 7.096 1.00 0.00 C ATOM 0 H THR A3291 14.311 5.380 6.187 1.00 0.00 H new ATOM 0 HA THR A3291 16.066 5.587 3.791 1.00 0.00 H new ATOM 0 HB THR A3291 16.457 7.392 5.293 1.00 0.00 H new ATOM 0 HG1 THR A3291 18.493 5.406 5.165 1.00 0.00 H new ATOM 0 HG21 THR A3291 17.494 7.064 7.521 1.00 0.00 H new ATOM 0 HG22 THR A3291 15.795 6.539 7.442 1.00 0.00 H new ATOM 0 HG23 THR A3291 17.101 5.331 7.415 1.00 0.00 H new ATOM 882 N PHE A3292 15.399 3.039 4.475 1.00 0.00 N ATOM 883 CA PHE A3292 15.656 1.605 4.546 1.00 0.00 C ATOM 884 C PHE A3292 14.986 0.907 3.370 1.00 0.00 C ATOM 885 O PHE A3292 15.639 0.501 2.410 1.00 0.00 O ATOM 886 CB PHE A3292 15.203 1.065 5.913 1.00 0.00 C ATOM 887 CG PHE A3292 15.622 -0.361 6.205 1.00 0.00 C ATOM 888 CD1 PHE A3292 16.740 -0.613 7.022 1.00 0.00 C ATOM 889 CD2 PHE A3292 14.879 -1.439 5.695 1.00 0.00 C ATOM 890 CE1 PHE A3292 17.123 -1.935 7.303 1.00 0.00 C ATOM 891 CE2 PHE A3292 15.252 -2.759 5.988 1.00 0.00 C ATOM 892 CZ PHE A3292 16.392 -3.011 6.767 1.00 0.00 C ATOM 0 H PHE A3292 14.531 3.290 4.002 1.00 0.00 H new ATOM 0 HA PHE A3292 16.724 1.401 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A3292 15.602 1.713 6.694 1.00 0.00 H new ATOM 0 HB3 PHE A3292 14.116 1.128 5.971 1.00 0.00 H new ATOM 0 HD1 PHE A3292 17.304 0.211 7.433 1.00 0.00 H new ATOM 0 HD2 PHE A3292 14.016 -1.250 5.074 1.00 0.00 H new ATOM 0 HE1 PHE A3292 17.980 -2.126 7.932 1.00 0.00 H new ATOM 0 HE2 PHE A3292 14.661 -3.582 5.614 1.00 0.00 H new ATOM 0 HZ PHE A3292 16.707 -4.027 6.954 1.00 0.00 H new ATOM 902 N PHE A3293 13.660 0.814 3.410 1.00 0.00 N ATOM 903 CA PHE A3293 12.852 0.163 2.388 1.00 0.00 C ATOM 904 C PHE A3293 12.161 1.146 1.451 1.00 0.00 C ATOM 905 O PHE A3293 11.385 0.697 0.614 1.00 0.00 O ATOM 906 CB PHE A3293 11.868 -0.807 3.063 1.00 0.00 C ATOM 907 CG PHE A3293 11.267 -0.362 4.383 1.00 0.00 C ATOM 908 CD1 PHE A3293 11.410 -1.165 5.532 1.00 0.00 C ATOM 909 CD2 PHE A3293 10.620 0.882 4.483 1.00 0.00 C ATOM 910 CE1 PHE A3293 10.941 -0.708 6.773 1.00 0.00 C ATOM 911 CE2 PHE A3293 10.134 1.326 5.720 1.00 0.00 C ATOM 912 CZ PHE A3293 10.298 0.536 6.868 1.00 0.00 C ATOM 0 H PHE A3293 13.105 1.200 4.174 1.00 0.00 H new ATOM 0 HA PHE A3293 13.517 -0.407 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A3293 11.052 -1.003 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A3293 12.382 -1.754 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A3293 11.881 -2.134 5.457 1.00 0.00 H new ATOM 0 HD2 PHE A3293 10.497 1.497 3.604 1.00 0.00 H new ATOM 0 HE1 PHE A3293 11.075 -1.314 7.657 1.00 0.00 H new ATOM 0 HE2 PHE A3293 9.632 2.279 5.790 1.00 0.00 H new ATOM 0 HZ PHE A3293 9.931 0.884 7.822 1.00 0.00 H new ATOM 922 N ALA A3294 12.494 2.443 1.507 1.00 0.00 N ATOM 923 CA ALA A3294 11.886 3.488 0.682 1.00 0.00 C ATOM 924 C ALA A3294 11.859 3.152 -0.814 1.00 0.00 C ATOM 925 O ALA A3294 10.935 3.561 -1.516 1.00 0.00 O ATOM 926 CB ALA A3294 12.612 4.813 0.919 1.00 0.00 C ATOM 0 H ALA A3294 13.209 2.799 2.141 1.00 0.00 H new ATOM 0 HA ALA A3294 10.843 3.568 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A3294 12.159 5.591 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A3294 12.532 5.089 1.971 1.00 0.00 H new ATOM 0 HB3 ALA A3294 13.663 4.705 0.651 1.00 0.00 H new ATOM 932 N GLN A3295 12.851 2.396 -1.287 1.00 0.00 N ATOM 933 CA GLN A3295 12.975 1.978 -2.676 1.00 0.00 C ATOM 934 C GLN A3295 11.835 1.034 -3.059 1.00 0.00 C ATOM 935 O GLN A3295 11.272 1.146 -4.139 1.00 0.00 O ATOM 936 CB GLN A3295 14.344 1.316 -2.881 1.00 0.00 C ATOM 937 CG GLN A3295 15.518 2.251 -2.556 1.00 0.00 C ATOM 938 CD GLN A3295 15.448 3.534 -3.379 1.00 0.00 C ATOM 939 OE1 GLN A3295 15.402 3.477 -4.607 1.00 0.00 O ATOM 940 NE2 GLN A3295 15.388 4.695 -2.751 1.00 0.00 N ATOM 0 H GLN A3295 13.607 2.051 -0.696 1.00 0.00 H new ATOM 0 HA GLN A3295 12.905 2.849 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A3295 14.410 0.428 -2.253 1.00 0.00 H new ATOM 0 HB3 GLN A3295 14.429 0.982 -3.915 1.00 0.00 H new ATOM 0 HG2 GLN A3295 15.507 2.496 -1.494 1.00 0.00 H new ATOM 0 HG3 GLN A3295 16.459 1.739 -2.755 1.00 0.00 H new ATOM 0 HE21 GLN A3295 15.427 4.726 -1.732 1.00 0.00 H new ATOM 0 HE22 GLN A3295 15.302 5.560 -3.285 1.00 0.00 H new ATOM 949 N ASP A3296 11.548 0.033 -2.230 1.00 0.00 N ATOM 950 CA ASP A3296 10.448 -0.899 -2.501 1.00 0.00 C ATOM 951 C ASP A3296 9.110 -0.273 -2.100 1.00 0.00 C ATOM 952 O ASP A3296 8.065 -0.627 -2.637 1.00 0.00 O ATOM 953 CB ASP A3296 10.669 -2.248 -1.805 1.00 0.00 C ATOM 954 CG ASP A3296 9.578 -3.282 -2.132 1.00 0.00 C ATOM 955 OD1 ASP A3296 9.016 -3.858 -1.171 1.00 0.00 O ATOM 956 OD2 ASP A3296 9.292 -3.560 -3.313 1.00 0.00 O ATOM 0 H ASP A3296 12.058 -0.156 -1.367 1.00 0.00 H new ATOM 0 HA ASP A3296 10.424 -1.095 -3.573 1.00 0.00 H new ATOM 0 HB2 ASP A3296 11.640 -2.647 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A3296 10.702 -2.093 -0.727 1.00 0.00 H new ATOM 961 N ILE A3297 9.125 0.652 -1.139 1.00 0.00 N ATOM 962 CA ILE A3297 7.961 1.368 -0.630 1.00 0.00 C ATOM 963 C ILE A3297 7.330 2.154 -1.777 1.00 0.00 C ATOM 964 O ILE A3297 6.116 2.081 -1.955 1.00 0.00 O ATOM 965 CB ILE A3297 8.375 2.246 0.583 1.00 0.00 C ATOM 966 CG1 ILE A3297 7.890 1.703 1.940 1.00 0.00 C ATOM 967 CG2 ILE A3297 7.984 3.731 0.480 1.00 0.00 C ATOM 968 CD1 ILE A3297 8.206 0.230 2.186 1.00 0.00 C ATOM 0 H ILE A3297 9.989 0.933 -0.675 1.00 0.00 H new ATOM 0 HA ILE A3297 7.201 0.681 -0.257 1.00 0.00 H new ATOM 0 HB ILE A3297 9.462 2.185 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A3297 8.342 2.295 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A3297 6.812 1.846 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A3297 8.317 4.258 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A3297 8.457 4.172 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A3297 6.901 3.817 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A3297 7.828 -0.065 3.165 1.00 0.00 H new ATOM 0 HD12 ILE A3297 7.731 -0.378 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A3297 9.285 0.079 2.154 1.00 0.00 H new ATOM 980 N GLU A3298 8.134 2.885 -2.560 1.00 0.00 N ATOM 981 CA GLU A3298 7.616 3.675 -3.670 1.00 0.00 C ATOM 982 C GLU A3298 6.970 2.765 -4.718 1.00 0.00 C ATOM 983 O GLU A3298 5.942 3.105 -5.293 1.00 0.00 O ATOM 984 CB GLU A3298 8.722 4.573 -4.268 1.00 0.00 C ATOM 985 CG GLU A3298 9.839 3.838 -5.033 1.00 0.00 C ATOM 986 CD GLU A3298 9.823 4.140 -6.533 1.00 0.00 C ATOM 987 OE1 GLU A3298 10.772 4.785 -7.043 1.00 0.00 O ATOM 988 OE2 GLU A3298 8.886 3.701 -7.233 1.00 0.00 O ATOM 0 H GLU A3298 9.145 2.942 -2.440 1.00 0.00 H new ATOM 0 HA GLU A3298 6.837 4.341 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A3298 8.256 5.291 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A3298 9.177 5.145 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A3298 10.806 4.124 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A3298 9.732 2.764 -4.881 1.00 0.00 H new ATOM 995 N SER A3299 7.541 1.580 -4.902 1.00 0.00 N ATOM 996 CA SER A3299 7.119 0.581 -5.862 1.00 0.00 C ATOM 997 C SER A3299 5.802 -0.067 -5.433 1.00 0.00 C ATOM 998 O SER A3299 4.896 -0.217 -6.257 1.00 0.00 O ATOM 999 CB SER A3299 8.280 -0.413 -6.019 1.00 0.00 C ATOM 1000 OG SER A3299 8.074 -1.329 -7.075 1.00 0.00 O ATOM 0 H SER A3299 8.349 1.281 -4.357 1.00 0.00 H new ATOM 0 HA SER A3299 6.904 1.022 -6.835 1.00 0.00 H new ATOM 0 HB2 SER A3299 9.203 0.138 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A3299 8.411 -0.963 -5.087 1.00 0.00 H new ATOM 0 HG SER A3299 8.840 -1.937 -7.134 1.00 0.00 H new ATOM 1006 N VAL A3300 5.649 -0.440 -4.162 1.00 0.00 N ATOM 1007 CA VAL A3300 4.419 -1.069 -3.702 1.00 0.00 C ATOM 1008 C VAL A3300 3.308 -0.033 -3.547 1.00 0.00 C ATOM 1009 O VAL A3300 2.160 -0.293 -3.913 1.00 0.00 O ATOM 1010 CB VAL A3300 4.683 -1.918 -2.447 1.00 0.00 C ATOM 1011 CG1 VAL A3300 4.999 -1.091 -1.199 1.00 0.00 C ATOM 1012 CG2 VAL A3300 3.481 -2.818 -2.164 1.00 0.00 C ATOM 0 H VAL A3300 6.359 -0.317 -3.440 1.00 0.00 H new ATOM 0 HA VAL A3300 4.057 -1.769 -4.456 1.00 0.00 H new ATOM 0 HB VAL A3300 5.570 -2.512 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A3300 5.173 -1.758 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A3300 5.891 -0.490 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A3300 4.158 -0.435 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A3300 3.676 -3.416 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A3300 2.596 -2.203 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A3300 3.312 -3.478 -3.015 1.00 0.00 H new ATOM 1022 N GLN A3301 3.618 1.159 -3.028 1.00 0.00 N ATOM 1023 CA GLN A3301 2.606 2.185 -2.855 1.00 0.00 C ATOM 1024 C GLN A3301 2.077 2.638 -4.204 1.00 0.00 C ATOM 1025 O GLN A3301 0.916 3.032 -4.266 1.00 0.00 O ATOM 1026 CB GLN A3301 3.082 3.320 -1.959 1.00 0.00 C ATOM 1027 CG GLN A3301 4.007 4.343 -2.621 1.00 0.00 C ATOM 1028 CD GLN A3301 3.310 5.669 -2.936 1.00 0.00 C ATOM 1029 OE1 GLN A3301 3.692 6.694 -2.387 1.00 0.00 O ATOM 1030 NE2 GLN A3301 2.261 5.683 -3.744 1.00 0.00 N ATOM 0 H GLN A3301 4.554 1.428 -2.725 1.00 0.00 H new ATOM 0 HA GLN A3301 1.760 1.754 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A3301 2.208 3.844 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A3301 3.600 2.889 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A3301 4.857 4.533 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A3301 4.405 3.920 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A3301 1.953 4.822 -4.195 1.00 0.00 H new ATOM 0 HE22 GLN A3301 1.761 6.555 -3.915 1.00 0.00 H new ATOM 1039 N LYS A3302 2.902 2.608 -5.259 1.00 0.00 N ATOM 1040 CA LYS A3302 2.503 2.982 -6.613 1.00 0.00 C ATOM 1041 C LYS A3302 1.309 2.135 -7.037 1.00 0.00 C ATOM 1042 O LYS A3302 0.460 2.625 -7.777 1.00 0.00 O ATOM 1043 CB LYS A3302 3.672 2.791 -7.594 1.00 0.00 C ATOM 1044 CG LYS A3302 4.451 4.097 -7.751 1.00 0.00 C ATOM 1045 CD LYS A3302 5.791 3.915 -8.481 1.00 0.00 C ATOM 1046 CE LYS A3302 5.607 3.829 -10.000 1.00 0.00 C ATOM 1047 NZ LYS A3302 5.305 5.156 -10.577 1.00 0.00 N ATOM 0 H LYS A3302 3.878 2.319 -5.190 1.00 0.00 H new ATOM 0 HA LYS A3302 2.222 4.035 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A3302 4.335 2.005 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A3302 3.293 2.467 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A3302 3.840 4.814 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS A3302 4.636 4.524 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A3302 6.451 4.749 -8.242 1.00 0.00 H new ATOM 0 HD3 LYS A3302 6.280 3.009 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A3302 6.512 3.428 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A3302 4.799 3.136 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 5.369 5.106 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 4.344 5.443 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 5.989 5.853 -10.221 1.00 0.00 H new ATOM 1061 N GLU A3303 1.243 0.886 -6.564 1.00 0.00 N ATOM 1062 CA GLU A3303 0.141 -0.008 -6.893 1.00 0.00 C ATOM 1063 C GLU A3303 -1.110 0.471 -6.150 1.00 0.00 C ATOM 1064 O GLU A3303 -2.169 0.671 -6.741 1.00 0.00 O ATOM 1065 CB GLU A3303 0.555 -1.492 -6.726 1.00 0.00 C ATOM 1066 CG GLU A3303 -0.040 -2.302 -5.566 1.00 0.00 C ATOM 1067 CD GLU A3303 0.545 -3.725 -5.520 1.00 0.00 C ATOM 1068 OE1 GLU A3303 1.714 -3.881 -5.088 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -0.153 -4.707 -5.879 1.00 0.00 O ATOM 0 H GLU A3303 1.946 0.475 -5.950 1.00 0.00 H new ATOM 0 HA GLU A3303 -0.126 0.032 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A3303 0.305 -2.010 -7.652 1.00 0.00 H new ATOM 0 HB3 GLU A3303 1.640 -1.522 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A3303 0.161 -1.793 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -1.123 -2.355 -5.675 1.00 0.00 H new ATOM 1076 N LEU A3304 -0.972 0.778 -4.862 1.00 0.00 N ATOM 1077 CA LEU A3304 -2.075 1.224 -4.032 1.00 0.00 C ATOM 1078 C LEU A3304 -2.678 2.551 -4.474 1.00 0.00 C ATOM 1079 O LEU A3304 -3.878 2.740 -4.330 1.00 0.00 O ATOM 1080 CB LEU A3304 -1.577 1.344 -2.588 1.00 0.00 C ATOM 1081 CG LEU A3304 -1.055 0.015 -2.006 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -0.635 0.212 -0.556 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -2.013 -1.167 -2.133 1.00 0.00 C ATOM 0 H LEU A3304 -0.082 0.722 -4.367 1.00 0.00 H new ATOM 0 HA LEU A3304 -2.870 0.484 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -0.781 2.087 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -2.389 1.712 -1.961 1.00 0.00 H new ATOM 0 HG LEU A3304 -0.195 -0.256 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -0.268 -0.731 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A3304 0.155 0.961 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -1.492 0.548 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -1.556 -2.054 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -2.941 -0.941 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -2.227 -1.351 -3.186 1.00 0.00 H new ATOM 1095 N GLU A3305 -1.884 3.495 -4.969 1.00 0.00 N ATOM 1096 CA GLU A3305 -2.418 4.787 -5.400 1.00 0.00 C ATOM 1097 C GLU A3305 -3.275 4.721 -6.663 1.00 0.00 C ATOM 1098 O GLU A3305 -3.906 5.719 -7.019 1.00 0.00 O ATOM 1099 CB GLU A3305 -1.337 5.863 -5.481 1.00 0.00 C ATOM 1100 CG GLU A3305 -0.234 5.445 -6.443 1.00 0.00 C ATOM 1101 CD GLU A3305 0.744 6.601 -6.705 1.00 0.00 C ATOM 1102 OE1 GLU A3305 1.163 6.778 -7.877 1.00 0.00 O ATOM 1103 OE2 GLU A3305 1.113 7.308 -5.740 1.00 0.00 O ATOM 0 H GLU A3305 -0.875 3.393 -5.082 1.00 0.00 H new ATOM 0 HA GLU A3305 -3.108 5.086 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -1.777 6.804 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -0.916 6.038 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A3305 0.308 4.593 -6.031 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -0.674 5.117 -7.385 1.00 0.00 H new ATOM 1110 N ASN A3306 -3.282 3.591 -7.371 1.00 0.00 N ATOM 1111 CA ASN A3306 -4.105 3.417 -8.563 1.00 0.00 C ATOM 1112 C ASN A3306 -5.201 2.392 -8.270 1.00 0.00 C ATOM 1113 O ASN A3306 -6.044 2.146 -9.136 1.00 0.00 O ATOM 1114 CB ASN A3306 -3.277 3.109 -9.818 1.00 0.00 C ATOM 1115 CG ASN A3306 -2.712 1.704 -9.851 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -3.400 0.757 -10.187 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -1.449 1.541 -9.516 1.00 0.00 N ATOM 0 H ASN A3306 -2.719 2.775 -7.133 1.00 0.00 H new ATOM 0 HA ASN A3306 -4.591 4.362 -8.803 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -3.901 3.260 -10.699 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -2.455 3.822 -9.883 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -1.032 0.610 -9.535 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -0.887 2.346 -9.237 1.00 0.00 H new ATOM 1124 N LEU A3307 -5.226 1.805 -7.063 1.00 0.00 N ATOM 1125 CA LEU A3307 -6.255 0.836 -6.707 1.00 0.00 C ATOM 1126 C LEU A3307 -7.510 1.575 -6.252 1.00 0.00 C ATOM 1127 O LEU A3307 -7.434 2.727 -5.824 1.00 0.00 O ATOM 1128 CB LEU A3307 -5.748 -0.113 -5.602 1.00 0.00 C ATOM 1129 CG LEU A3307 -5.446 -1.578 -5.975 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -5.955 -2.009 -7.342 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -3.969 -1.937 -5.941 1.00 0.00 C ATOM 0 H LEU A3307 -4.546 1.988 -6.326 1.00 0.00 H new ATOM 0 HA LEU A3307 -6.496 0.231 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -4.837 0.318 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -6.490 -0.120 -4.804 1.00 0.00 H new ATOM 0 HG LEU A3307 -5.989 -2.109 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -5.695 -3.053 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -7.038 -1.894 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -5.497 -1.389 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -3.843 -2.984 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -3.426 -1.309 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -3.578 -1.776 -4.936 1.00 0.00 H new ATOM 1143 N SER A3308 -8.665 0.917 -6.361 1.00 0.00 N ATOM 1144 CA SER A3308 -9.955 1.473 -5.966 1.00 0.00 C ATOM 1145 C SER A3308 -10.202 1.230 -4.478 1.00 0.00 C ATOM 1146 O SER A3308 -9.505 0.434 -3.853 1.00 0.00 O ATOM 1147 CB SER A3308 -11.057 0.796 -6.783 1.00 0.00 C ATOM 1148 OG SER A3308 -10.821 0.932 -8.167 1.00 0.00 O ATOM 0 H SER A3308 -8.729 -0.031 -6.732 1.00 0.00 H new ATOM 0 HA SER A3308 -9.957 2.547 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A3308 -11.110 -0.261 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A3308 -12.022 1.235 -6.531 1.00 0.00 H new ATOM 0 HG SER A3308 -11.539 0.489 -8.666 1.00 0.00 H new ATOM 1154 N GLU A3309 -11.219 1.874 -3.896 1.00 0.00 N ATOM 1155 CA GLU A3309 -11.565 1.709 -2.497 1.00 0.00 C ATOM 1156 C GLU A3309 -11.811 0.242 -2.251 1.00 0.00 C ATOM 1157 O GLU A3309 -11.137 -0.287 -1.404 1.00 0.00 O ATOM 1158 CB GLU A3309 -12.849 2.496 -2.131 1.00 0.00 C ATOM 1159 CG GLU A3309 -12.580 3.824 -1.413 1.00 0.00 C ATOM 1160 CD GLU A3309 -13.666 4.887 -1.631 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -14.299 5.332 -0.643 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -13.907 5.289 -2.787 1.00 0.00 O ATOM 0 H GLU A3309 -11.824 2.527 -4.394 1.00 0.00 H new ATOM 0 HA GLU A3309 -10.748 2.090 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -13.414 2.695 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -13.478 1.872 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -12.483 3.633 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -11.624 4.222 -1.754 1.00 0.00 H new ATOM 1169 N GLU A3310 -12.637 -0.455 -3.017 1.00 0.00 N ATOM 1170 CA GLU A3310 -12.958 -1.865 -2.805 1.00 0.00 C ATOM 1171 C GLU A3310 -11.705 -2.743 -2.693 1.00 0.00 C ATOM 1172 O GLU A3310 -11.792 -3.880 -2.233 1.00 0.00 O ATOM 1173 CB GLU A3310 -13.903 -2.335 -3.925 1.00 0.00 C ATOM 1174 CG GLU A3310 -13.176 -2.262 -5.272 1.00 0.00 C ATOM 1175 CD GLU A3310 -14.014 -2.654 -6.484 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -14.201 -1.800 -7.383 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -14.379 -3.843 -6.618 1.00 0.00 O ATOM 0 H GLU A3310 -13.115 -0.050 -3.822 1.00 0.00 H new ATOM 0 HA GLU A3310 -13.465 -1.969 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -14.233 -3.356 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -14.796 -1.711 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -12.812 -1.245 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -12.301 -2.911 -5.230 1.00 0.00 H new ATOM 1184 N GLU A3311 -10.603 -2.334 -3.326 1.00 0.00 N ATOM 1185 CA GLU A3311 -9.355 -3.055 -3.276 1.00 0.00 C ATOM 1186 C GLU A3311 -8.601 -2.755 -1.981 1.00 0.00 C ATOM 1187 O GLU A3311 -8.157 -3.664 -1.291 1.00 0.00 O ATOM 1188 CB GLU A3311 -8.515 -2.635 -4.482 1.00 0.00 C ATOM 1189 CG GLU A3311 -9.194 -2.923 -5.823 1.00 0.00 C ATOM 1190 CD GLU A3311 -8.920 -4.362 -6.281 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -9.843 -5.196 -6.166 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -7.791 -4.713 -6.709 1.00 0.00 O ATOM 0 H GLU A3311 -10.564 -1.484 -3.889 1.00 0.00 H new ATOM 0 HA GLU A3311 -9.551 -4.127 -3.302 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -8.301 -1.569 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -7.558 -3.155 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -10.269 -2.765 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -8.832 -2.223 -6.576 1.00 0.00 H new ATOM 1199 N LEU A3312 -8.419 -1.465 -1.678 1.00 0.00 N ATOM 1200 CA LEU A3312 -7.695 -0.949 -0.513 1.00 0.00 C ATOM 1201 C LEU A3312 -8.472 -1.042 0.791 1.00 0.00 C ATOM 1202 O LEU A3312 -7.996 -1.556 1.800 1.00 0.00 O ATOM 1203 CB LEU A3312 -7.318 0.530 -0.711 1.00 0.00 C ATOM 1204 CG LEU A3312 -6.743 0.878 -2.089 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -7.101 2.315 -2.444 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -5.252 0.568 -2.129 1.00 0.00 C ATOM 0 H LEU A3312 -8.790 -0.719 -2.266 1.00 0.00 H new ATOM 0 HA LEU A3312 -6.813 -1.585 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -8.205 1.140 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -6.589 0.808 0.050 1.00 0.00 H new ATOM 0 HG LEU A3312 -7.190 0.256 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -6.691 2.561 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -8.185 2.425 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -6.683 2.989 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -4.854 0.819 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -4.738 1.156 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -5.096 -0.493 -1.935 1.00 0.00 H new ATOM 1218 N LEU A3313 -9.683 -0.496 0.770 1.00 0.00 N ATOM 1219 CA LEU A3313 -10.656 -0.444 1.843 1.00 0.00 C ATOM 1220 C LEU A3313 -10.860 -1.879 2.296 1.00 0.00 C ATOM 1221 O LEU A3313 -10.847 -2.132 3.493 1.00 0.00 O ATOM 1222 CB LEU A3313 -11.945 0.261 1.331 1.00 0.00 C ATOM 1223 CG LEU A3313 -13.178 0.267 2.262 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -13.901 -1.085 2.284 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -12.922 0.728 3.698 1.00 0.00 C ATOM 0 H LEU A3313 -10.034 -0.041 -0.073 1.00 0.00 H new ATOM 0 HA LEU A3313 -10.331 0.144 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -11.693 1.296 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -12.236 -0.211 0.393 1.00 0.00 H new ATOM 0 HG LEU A3313 -13.818 1.024 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -14.760 -1.028 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -14.240 -1.332 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -13.217 -1.857 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -13.854 0.693 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -12.189 0.071 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -12.541 1.749 3.690 1.00 0.00 H new ATOM 1237 N ALA A3314 -10.946 -2.837 1.374 1.00 0.00 N ATOM 1238 CA ALA A3314 -11.150 -4.217 1.773 1.00 0.00 C ATOM 1239 C ALA A3314 -9.961 -4.794 2.551 1.00 0.00 C ATOM 1240 O ALA A3314 -10.134 -5.697 3.367 1.00 0.00 O ATOM 1241 CB ALA A3314 -11.392 -5.051 0.525 1.00 0.00 C ATOM 0 H ALA A3314 -10.879 -2.683 0.368 1.00 0.00 H new ATOM 0 HA ALA A3314 -12.010 -4.247 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -11.547 -6.092 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -12.276 -4.680 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -10.527 -4.979 -0.134 1.00 0.00 H new ATOM 1247 N MET A3315 -8.748 -4.285 2.339 1.00 0.00 N ATOM 1248 CA MET A3315 -7.542 -4.785 3.000 1.00 0.00 C ATOM 1249 C MET A3315 -7.485 -4.282 4.428 1.00 0.00 C ATOM 1250 O MET A3315 -7.451 -5.072 5.368 1.00 0.00 O ATOM 1251 CB MET A3315 -6.287 -4.371 2.226 1.00 0.00 C ATOM 1252 CG MET A3315 -6.402 -4.692 0.744 1.00 0.00 C ATOM 1253 SD MET A3315 -5.390 -6.087 0.184 1.00 0.00 S ATOM 1254 CE MET A3315 -6.228 -6.504 -1.367 1.00 0.00 C ATOM 0 H MET A3315 -8.573 -3.509 1.700 1.00 0.00 H new ATOM 0 HA MET A3315 -7.580 -5.874 3.017 1.00 0.00 H new ATOM 0 HB2 MET A3315 -6.118 -3.302 2.354 1.00 0.00 H new ATOM 0 HB3 MET A3315 -5.419 -4.883 2.642 1.00 0.00 H new ATOM 0 HG2 MET A3315 -7.446 -4.904 0.513 1.00 0.00 H new ATOM 0 HG3 MET A3315 -6.122 -3.807 0.173 1.00 0.00 H new ATOM 0 HE1 MET A3315 -5.724 -7.348 -1.837 1.00 0.00 H new ATOM 0 HE2 MET A3315 -7.265 -6.770 -1.160 1.00 0.00 H new ATOM 0 HE3 MET A3315 -6.200 -5.645 -2.038 1.00 0.00 H new ATOM 1264 N LEU A3316 -7.540 -2.962 4.608 1.00 0.00 N ATOM 1265 CA LEU A3316 -7.518 -2.329 5.922 1.00 0.00 C ATOM 1266 C LEU A3316 -8.733 -2.758 6.743 1.00 0.00 C ATOM 1267 O LEU A3316 -8.632 -2.923 7.962 1.00 0.00 O ATOM 1268 CB LEU A3316 -7.439 -0.800 5.793 1.00 0.00 C ATOM 1269 CG LEU A3316 -8.530 -0.172 4.899 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -9.752 0.321 5.695 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -7.983 1.057 4.185 1.00 0.00 C ATOM 0 H LEU A3316 -7.602 -2.298 3.836 1.00 0.00 H new ATOM 0 HA LEU A3316 -6.623 -2.660 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -7.506 -0.361 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -6.461 -0.533 5.392 1.00 0.00 H new ATOM 0 HG LEU A3316 -8.828 -0.963 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -10.483 0.752 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -10.203 -0.517 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -9.437 1.078 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -8.762 1.490 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -7.660 1.792 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -7.135 0.769 3.563 1.00 0.00 H new ATOM 1283 N ASN A3317 -9.883 -2.942 6.090 1.00 0.00 N ATOM 1284 CA ASN A3317 -11.111 -3.355 6.764 1.00 0.00 C ATOM 1285 C ASN A3317 -11.101 -4.852 7.049 1.00 0.00 C ATOM 1286 O ASN A3317 -11.786 -5.308 7.964 1.00 0.00 O ATOM 1287 CB ASN A3317 -12.339 -3.011 5.918 1.00 0.00 C ATOM 1288 CG ASN A3317 -13.567 -2.813 6.781 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -14.441 -3.667 6.866 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -13.670 -1.646 7.396 1.00 0.00 N ATOM 0 H ASN A3317 -9.987 -2.809 5.084 1.00 0.00 H new ATOM 0 HA ASN A3317 -11.162 -2.813 7.708 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -12.145 -2.104 5.345 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -12.523 -3.809 5.199 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -14.494 -1.438 7.960 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -12.925 -0.955 7.306 1.00 0.00 H new ATOM 1297 N GLY A3318 -10.255 -5.588 6.326 1.00 0.00 N ATOM 1298 CA GLY A3318 -10.101 -7.032 6.438 1.00 0.00 C ATOM 1299 C GLY A3318 -11.443 -7.644 6.073 1.00 0.00 C ATOM 1300 O GLY A3318 -12.032 -8.389 6.862 1.00 0.00 O ATOM 0 H GLY A3318 -9.639 -5.177 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -9.318 -7.391 5.770 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -9.810 -7.313 7.450 1.00 0.00 H new