USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.674 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.747 K(o=1.4,f=0.13) USER MOD Set 2.1: A 7 THR OG1 : rot 160:sc= -0.496 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0279 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -178:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot -24:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.0539 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ -159:sc= 2.22 (180deg=2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.1) USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.0276 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 1.2 (180deg=0.779) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00136 K(o=-0.0014,f=-1) USER MOD Single : A 41 GLN : amide:sc= 0.525 K(o=0.52,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 55 THR OG1 : rot -45:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.264 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.06) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.715 -7.484 -5.820 1.00 9.67 N ATOM 2 CA MET A 1 10.627 -7.475 -4.312 1.00 10.38 C ATOM 3 C MET A 1 9.367 -7.868 -3.662 1.00 9.62 C ATOM 4 O MET A 1 8.309 -7.318 -3.993 1.00 9.62 O ATOM 5 CB MET A 1 10.981 -6.004 -3.857 1.00 13.77 C ATOM 6 CG MET A 1 11.308 -5.801 -2.342 1.00 16.29 C ATOM 7 SD MET A 1 11.677 -4.091 -1.824 1.00 17.17 S ATOM 8 CE MET A 1 10.161 -3.183 -2.221 1.00 16.11 C ATOM 0 H1 MET A 1 11.713 -7.537 -6.109 1.00 9.67 H new ATOM 0 H2 MET A 1 10.202 -8.309 -6.193 1.00 9.67 H new ATOM 0 H3 MET A 1 10.291 -6.613 -6.198 1.00 9.67 H new ATOM 0 HA MET A 1 11.312 -8.260 -3.992 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.837 -5.664 -4.439 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.143 -5.356 -4.115 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.462 -6.162 -1.757 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.162 -6.429 -2.088 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.095 -2.293 -1.595 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.178 -2.888 -3.270 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.296 -3.821 -2.038 1.00 16.11 H new ATOM 20 N GLN A 2 9.365 -8.807 -2.673 1.00 9.27 N ATOM 21 CA GLN A 2 8.244 -9.166 -1.854 1.00 9.07 C ATOM 22 C GLN A 2 7.939 -8.209 -0.734 1.00 8.72 C ATOM 23 O GLN A 2 8.859 -7.778 -0.066 1.00 8.22 O ATOM 24 CB GLN A 2 8.295 -10.580 -1.336 1.00 14.46 C ATOM 25 CG GLN A 2 6.986 -11.204 -0.710 1.00 17.01 C ATOM 26 CD GLN A 2 7.033 -12.720 -0.737 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.292 -13.299 0.336 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.855 -13.385 -1.879 1.00 19.49 N ATOM 0 H GLN A 2 10.202 -9.341 -2.440 1.00 9.27 H new ATOM 0 HA GLN A 2 7.413 -9.096 -2.555 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.607 -11.223 -2.159 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.079 -10.627 -0.580 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.871 -10.859 0.318 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.114 -10.855 -1.262 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.644 -12.877 -2.738 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.930 -14.402 -1.894 1.00 19.49 H new ATOM 37 N ILE A 3 6.659 -7.854 -0.532 1.00 5.87 N ATOM 38 CA ILE A 3 6.187 -7.135 0.613 1.00 5.07 C ATOM 39 C ILE A 3 4.833 -7.652 1.141 1.00 4.01 C ATOM 40 O ILE A 3 4.148 -8.329 0.413 1.00 4.61 O ATOM 41 CB ILE A 3 6.076 -5.614 0.266 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.243 -5.331 -0.995 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.472 -4.885 0.420 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.798 -3.909 -1.213 1.00 10.83 C ATOM 0 H ILE A 3 5.918 -8.078 -1.196 1.00 5.87 H new ATOM 0 HA ILE A 3 6.914 -7.294 1.410 1.00 5.07 H new ATOM 0 HB ILE A 3 5.459 -5.122 1.018 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.825 -5.641 -1.863 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.356 -5.963 -0.964 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.361 -3.830 0.172 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.821 -4.981 1.448 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.197 -5.342 -0.254 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.220 -3.846 -2.135 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.179 -3.589 -0.375 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.672 -3.262 -1.287 1.00 10.83 H new ATOM 56 N PHE A 4 4.497 -7.267 2.379 1.00 4.55 N ATOM 57 CA PHE A 4 3.357 -7.829 3.115 1.00 4.68 C ATOM 58 C PHE A 4 2.500 -6.675 3.527 1.00 5.30 C ATOM 59 O PHE A 4 3.014 -5.626 3.871 1.00 5.58 O ATOM 60 CB PHE A 4 3.760 -8.522 4.487 1.00 4.83 C ATOM 61 CG PHE A 4 4.621 -9.784 4.254 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.468 -10.625 3.110 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.711 -9.975 5.151 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.316 -11.778 3.034 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.521 -11.117 5.017 1.00 10.61 C ATOM 66 CZ PHE A 4 6.292 -11.963 3.997 1.00 8.90 C ATOM 0 H PHE A 4 5.009 -6.555 2.900 1.00 4.55 H new ATOM 0 HA PHE A 4 2.889 -8.565 2.461 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.311 -7.814 5.105 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.859 -8.792 5.038 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.747 -10.402 2.338 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.913 -9.250 5.926 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.195 -12.494 2.235 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.315 -11.312 5.723 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.911 -12.845 3.925 1.00 8.90 H new ATOM 76 N VAL A 5 1.157 -6.807 3.528 1.00 4.44 N ATOM 77 CA VAL A 5 0.246 -5.774 3.942 1.00 3.87 C ATOM 78 C VAL A 5 -0.733 -6.421 4.863 1.00 4.93 C ATOM 79 O VAL A 5 -1.213 -7.549 4.646 1.00 6.84 O ATOM 80 CB VAL A 5 -0.614 -5.196 2.804 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.418 -3.969 3.277 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.321 -4.738 1.633 1.00 9.13 C ATOM 0 H VAL A 5 0.687 -7.662 3.230 1.00 4.44 H new ATOM 0 HA VAL A 5 0.848 -4.970 4.366 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.305 -5.973 2.478 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.015 -3.584 2.450 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.077 -4.259 4.096 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.732 -3.195 3.620 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.283 -4.328 0.824 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.010 -3.974 1.995 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.888 -5.593 1.265 1.00 9.13 H new ATOM 92 N LYS A 6 -1.158 -5.676 5.930 1.00 6.04 N ATOM 93 CA LYS A 6 -2.125 -6.175 6.876 1.00 6.12 C ATOM 94 C LYS A 6 -3.372 -5.305 6.786 1.00 6.57 C ATOM 95 O LYS A 6 -3.399 -4.106 7.017 1.00 5.76 O ATOM 96 CB LYS A 6 -1.595 -6.028 8.292 1.00 7.45 C ATOM 97 CG LYS A 6 -0.360 -6.938 8.638 1.00 11.12 C ATOM 98 CD LYS A 6 -0.647 -8.420 8.556 1.00 14.54 C ATOM 99 CE LYS A 6 0.658 -9.267 8.814 1.00 18.84 C ATOM 100 NZ LYS A 6 0.406 -10.703 8.871 1.00 20.55 N ATOM 0 H LYS A 6 -0.827 -4.732 6.129 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.332 -7.221 6.652 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.316 -4.987 8.453 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.401 -6.254 8.991 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.457 -6.698 7.958 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.017 -6.700 9.645 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.408 -8.687 9.289 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.052 -8.661 7.573 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.379 -9.062 8.023 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.113 -8.946 9.751 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.294 -11.203 9.076 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.286 -10.905 9.621 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.030 -11.026 7.957 1.00 20.55 H new ATOM 114 N THR A 7 -4.485 -5.959 6.471 1.00 7.41 N ATOM 115 CA THR A 7 -5.714 -5.255 6.223 1.00 7.48 C ATOM 116 C THR A 7 -6.382 -4.768 7.537 1.00 8.75 C ATOM 117 O THR A 7 -5.832 -5.030 8.620 1.00 8.58 O ATOM 118 CB THR A 7 -6.707 -6.029 5.347 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.338 -7.090 6.037 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.005 -6.596 4.133 1.00 9.17 C ATOM 0 H THR A 7 -4.550 -6.973 6.384 1.00 7.41 H new ATOM 0 HA THR A 7 -5.426 -4.377 5.645 1.00 7.48 H new ATOM 0 HB THR A 7 -7.474 -5.313 5.051 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.163 -7.339 5.570 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.722 -7.143 3.520 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.574 -5.783 3.549 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.212 -7.272 4.454 1.00 9.17 H new ATOM 128 N LEU A 8 -7.464 -4.026 7.437 1.00 9.84 N ATOM 129 CA LEU A 8 -8.274 -3.663 8.584 1.00 14.15 C ATOM 130 C LEU A 8 -8.813 -4.728 9.484 1.00 17.37 C ATOM 131 O LEU A 8 -8.851 -4.520 10.697 1.00 17.01 O ATOM 132 CB LEU A 8 -9.487 -2.866 8.053 1.00 16.63 C ATOM 133 CG LEU A 8 -10.417 -2.182 9.061 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.725 -1.078 9.865 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.610 -1.604 8.285 1.00 18.59 C ATOM 0 H LEU A 8 -7.810 -3.654 6.552 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.571 -3.127 9.222 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.108 -2.098 7.379 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.092 -3.546 7.453 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.739 -2.926 9.790 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.437 -0.634 10.560 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.890 -1.503 10.422 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.354 -0.311 9.185 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.290 -1.110 8.979 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.252 -0.881 7.552 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.136 -2.410 7.773 1.00 18.59 H new ATOM 147 N THR A 9 -9.191 -5.956 8.901 1.00 18.33 N ATOM 148 CA THR A 9 -9.590 -7.098 9.657 1.00 19.24 C ATOM 149 C THR A 9 -8.446 -8.035 9.938 1.00 19.48 C ATOM 150 O THR A 9 -8.595 -9.120 10.480 1.00 23.14 O ATOM 151 CB THR A 9 -10.748 -7.784 9.006 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.499 -7.903 7.620 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.897 -6.793 9.068 1.00 19.70 C ATOM 0 H THR A 9 -9.204 -6.111 7.893 1.00 18.33 H new ATOM 0 HA THR A 9 -9.923 -6.746 10.633 1.00 19.24 H new ATOM 0 HB THR A 9 -10.930 -8.749 9.480 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.255 -8.354 7.189 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.782 -7.232 8.607 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.113 -6.551 10.109 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.622 -5.884 8.533 1.00 19.70 H new ATOM 161 N GLY A 10 -7.212 -7.554 9.651 1.00 19.43 N ATOM 162 CA GLY A 10 -5.899 -8.251 9.870 1.00 18.74 C ATOM 163 C GLY A 10 -5.485 -9.303 8.796 1.00 17.62 C ATOM 164 O GLY A 10 -4.512 -10.009 9.089 1.00 19.74 O ATOM 0 H GLY A 10 -7.087 -6.628 9.241 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.116 -7.495 9.927 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.933 -8.748 10.840 1.00 18.74 H new ATOM 168 N LYS A 11 -6.141 -9.376 7.642 1.00 13.56 N ATOM 169 CA LYS A 11 -5.694 -10.250 6.573 1.00 11.91 C ATOM 170 C LYS A 11 -4.320 -9.839 6.021 1.00 10.18 C ATOM 171 O LYS A 11 -3.977 -8.683 6.027 1.00 9.10 O ATOM 172 CB LYS A 11 -6.783 -10.238 5.462 1.00 13.43 C ATOM 173 CG LYS A 11 -6.451 -11.055 4.227 1.00 16.69 C ATOM 174 CD LYS A 11 -7.517 -11.127 3.140 1.00 17.92 C ATOM 175 CE LYS A 11 -7.079 -11.815 1.855 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.039 -11.487 0.728 1.00 21.93 N ATOM 0 H LYS A 11 -6.982 -8.840 7.427 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.563 -11.260 6.961 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.716 -10.610 5.885 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.960 -9.206 5.159 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.542 -10.647 3.784 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.221 -12.072 4.545 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.385 -11.652 3.538 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.839 -10.114 2.900 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.072 -11.495 1.588 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.041 -12.894 2.007 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.737 -11.977 -0.138 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.997 -11.799 0.986 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.042 -10.460 0.562 1.00 21.93 H new ATOM 190 N THR A 12 -3.510 -10.838 5.584 1.00 9.63 N ATOM 191 CA THR A 12 -2.141 -10.646 5.094 1.00 9.85 C ATOM 192 C THR A 12 -2.189 -10.767 3.598 1.00 11.66 C ATOM 193 O THR A 12 -2.546 -11.789 3.051 1.00 12.33 O ATOM 194 CB THR A 12 -1.103 -11.606 5.656 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.290 -11.767 7.058 1.00 10.91 O ATOM 196 CG2 THR A 12 0.323 -11.119 5.275 1.00 9.63 C ATOM 0 H THR A 12 -3.806 -11.814 5.567 1.00 9.63 H new ATOM 0 HA THR A 12 -1.811 -9.665 5.435 1.00 9.85 H new ATOM 0 HB THR A 12 -1.227 -12.595 5.215 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.754 -10.982 7.418 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.063 -11.809 5.679 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.417 -11.081 4.190 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.490 -10.124 5.688 1.00 9.63 H new ATOM 204 N ILE A 13 -1.785 -9.727 2.911 1.00 10.42 N ATOM 205 CA ILE A 13 -1.624 -9.670 1.481 1.00 11.84 C ATOM 206 C ILE A 13 -0.162 -9.716 1.155 1.00 10.55 C ATOM 207 O ILE A 13 0.642 -9.012 1.744 1.00 11.92 O ATOM 208 CB ILE A 13 -2.288 -8.444 0.832 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.532 -7.871 1.563 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.605 -8.817 -0.668 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.971 -6.553 1.043 1.00 16.46 C ATOM 0 H ILE A 13 -1.546 -8.845 3.364 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.138 -10.535 1.061 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.580 -7.619 0.904 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.355 -8.580 1.473 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.307 -7.777 2.625 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.078 -7.968 -1.162 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.678 -9.067 -1.185 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.278 -9.674 -0.695 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.844 -6.214 1.601 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.164 -5.829 1.158 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.228 -6.645 -0.012 1.00 16.46 H new ATOM 223 N THR A 14 0.248 -10.621 0.209 1.00 9.39 N ATOM 224 CA THR A 14 1.603 -10.676 -0.066 1.00 9.63 C ATOM 225 C THR A 14 1.792 -10.281 -1.527 1.00 11.20 C ATOM 226 O THR A 14 1.257 -10.924 -2.402 1.00 11.63 O ATOM 227 CB THR A 14 2.147 -12.056 0.101 1.00 10.38 C ATOM 228 OG1 THR A 14 1.946 -12.597 1.430 1.00 16.30 O ATOM 229 CG2 THR A 14 3.683 -12.158 -0.237 1.00 11.66 C ATOM 0 H THR A 14 -0.350 -11.260 -0.314 1.00 9.39 H new ATOM 0 HA THR A 14 2.125 -10.011 0.622 1.00 9.63 H new ATOM 0 HB THR A 14 1.575 -12.646 -0.616 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.567 -12.169 2.055 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.019 -13.185 -0.096 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.848 -11.861 -1.273 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.246 -11.499 0.424 1.00 11.66 H new ATOM 237 N LEU A 15 2.672 -9.288 -1.821 1.00 8.29 N ATOM 238 CA LEU A 15 2.692 -8.649 -3.153 1.00 9.03 C ATOM 239 C LEU A 15 4.096 -8.751 -3.749 1.00 8.59 C ATOM 240 O LEU A 15 5.032 -9.045 -3.044 1.00 7.79 O ATOM 241 CB LEU A 15 2.248 -7.145 -3.183 1.00 11.08 C ATOM 242 CG LEU A 15 0.996 -6.682 -2.357 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.108 -5.149 -2.176 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.259 -7.129 -3.084 1.00 15.27 C ATOM 0 H LEU A 15 3.362 -8.922 -1.165 1.00 8.29 H new ATOM 0 HA LEU A 15 1.953 -9.196 -3.739 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.097 -6.549 -2.847 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.065 -6.881 -4.225 1.00 11.08 H new ATOM 0 HG LEU A 15 0.948 -7.130 -1.365 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.253 -4.787 -1.605 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.028 -4.912 -1.642 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.121 -4.667 -3.154 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.137 -6.814 -2.521 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.284 -6.680 -4.077 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.258 -8.215 -3.177 1.00 15.27 H new ATOM 256 N GLU A 16 4.198 -8.519 -5.089 1.00 11.04 N ATOM 257 CA GLU A 16 5.456 -8.277 -5.613 1.00 11.50 C ATOM 258 C GLU A 16 5.448 -6.947 -6.352 1.00 10.13 C ATOM 259 O GLU A 16 4.454 -6.572 -6.976 1.00 9.83 O ATOM 260 CB GLU A 16 5.630 -9.448 -6.693 1.00 17.22 C ATOM 261 CG GLU A 16 6.967 -9.406 -7.495 1.00 23.33 C ATOM 262 CD GLU A 16 8.164 -9.750 -6.691 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.114 -10.609 -5.738 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.269 -9.270 -6.991 1.00 28.90 O ATOM 0 H GLU A 16 3.424 -8.506 -5.753 1.00 11.04 H new ATOM 0 HA GLU A 16 6.238 -8.246 -4.855 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.560 -10.408 -6.182 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.799 -9.400 -7.397 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.896 -10.096 -8.336 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.097 -8.408 -7.912 1.00 23.33 H new ATOM 271 N VAL A 17 6.524 -6.216 -6.148 1.00 8.99 N ATOM 272 CA VAL A 17 6.758 -4.801 -6.483 1.00 8.85 C ATOM 273 C VAL A 17 8.228 -4.718 -6.716 1.00 8.04 C ATOM 274 O VAL A 17 9.014 -5.621 -6.500 1.00 8.99 O ATOM 275 CB VAL A 17 6.381 -3.909 -5.323 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.897 -3.890 -4.964 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.259 -3.970 -4.021 1.00 10.54 C ATOM 0 H VAL A 17 7.344 -6.625 -5.701 1.00 8.99 H new ATOM 0 HA VAL A 17 6.167 -4.479 -7.341 1.00 8.85 H new ATOM 0 HB VAL A 17 6.635 -2.953 -5.782 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.735 -3.220 -4.120 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.320 -3.541 -5.820 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.575 -4.896 -4.695 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.862 -3.274 -3.282 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.238 -4.981 -3.615 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.286 -3.697 -4.262 1.00 10.54 H new ATOM 287 N GLU A 18 8.622 -3.480 -7.065 1.00 7.29 N ATOM 288 CA GLU A 18 10.033 -3.146 -7.076 1.00 7.08 C ATOM 289 C GLU A 18 10.317 -1.888 -6.218 1.00 6.45 C ATOM 290 O GLU A 18 9.472 -1.026 -6.136 1.00 5.28 O ATOM 291 CB GLU A 18 10.612 -2.821 -8.465 1.00 10.28 C ATOM 292 CG GLU A 18 10.299 -3.842 -9.545 1.00 12.65 C ATOM 293 CD GLU A 18 10.681 -5.340 -9.278 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.768 -5.575 -8.734 1.00 18.17 O ATOM 295 OE2 GLU A 18 9.858 -6.248 -9.644 1.00 14.33 O ATOM 0 H GLU A 18 7.994 -2.723 -7.334 1.00 7.29 H new ATOM 0 HA GLU A 18 10.504 -4.049 -6.688 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.232 -1.850 -8.783 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.694 -2.726 -8.378 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.228 -3.801 -9.742 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.804 -3.527 -10.458 1.00 12.65 H new ATOM 302 N PRO A 19 11.431 -1.730 -5.567 1.00 7.24 N ATOM 303 CA PRO A 19 11.674 -0.616 -4.678 1.00 7.07 C ATOM 304 C PRO A 19 11.478 0.783 -5.229 1.00 6.65 C ATOM 305 O PRO A 19 11.305 1.707 -4.376 1.00 6.37 O ATOM 306 CB PRO A 19 13.174 -0.795 -4.345 1.00 7.61 C ATOM 307 CG PRO A 19 13.424 -2.265 -4.516 1.00 8.16 C ATOM 308 CD PRO A 19 12.496 -2.689 -5.583 1.00 7.49 C ATOM 0 HA PRO A 19 10.954 -0.655 -3.861 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.802 -0.205 -5.013 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.396 -0.470 -3.329 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.460 -2.459 -4.794 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.235 -2.808 -3.590 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.994 -2.706 -6.552 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.121 -3.696 -5.400 1.00 7.49 H new ATOM 316 N SER A 20 11.497 0.981 -6.566 1.00 6.80 N ATOM 317 CA SER A 20 11.160 2.293 -7.206 1.00 6.28 C ATOM 318 C SER A 20 9.620 2.446 -7.423 1.00 8.45 C ATOM 319 O SER A 20 9.276 3.578 -7.766 1.00 7.26 O ATOM 320 CB SER A 20 11.825 2.381 -8.598 1.00 8.57 C ATOM 321 OG SER A 20 11.650 1.224 -9.447 1.00 11.13 O ATOM 0 H SER A 20 11.742 0.251 -7.234 1.00 6.80 H new ATOM 0 HA SER A 20 11.519 3.077 -6.540 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.428 3.254 -9.116 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.893 2.551 -8.461 1.00 8.57 H new ATOM 0 HG SER A 20 12.103 1.375 -10.303 1.00 11.13 H new ATOM 327 N ASP A 21 8.743 1.417 -7.269 1.00 7.50 N ATOM 328 CA ASP A 21 7.327 1.621 -7.502 1.00 7.70 C ATOM 329 C ASP A 21 6.735 2.693 -6.596 1.00 7.08 C ATOM 330 O ASP A 21 6.951 2.650 -5.381 1.00 8.11 O ATOM 331 CB ASP A 21 6.392 0.374 -7.410 1.00 11.00 C ATOM 332 CG ASP A 21 6.810 -0.699 -8.425 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.487 -0.348 -9.404 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.359 -1.861 -8.263 1.00 18.03 O ATOM 0 H ASP A 21 9.003 0.471 -6.992 1.00 7.50 H new ATOM 0 HA ASP A 21 7.341 1.924 -8.549 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.428 -0.039 -6.402 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.360 0.673 -7.595 1.00 11.00 H new ATOM 339 N THR A 22 5.919 3.624 -7.165 1.00 5.37 N ATOM 340 CA THR A 22 5.111 4.593 -6.377 1.00 6.01 C ATOM 341 C THR A 22 3.922 3.922 -5.634 1.00 8.01 C ATOM 342 O THR A 22 3.393 2.945 -6.166 1.00 8.11 O ATOM 343 CB THR A 22 4.666 5.795 -7.142 1.00 8.92 C ATOM 344 OG1 THR A 22 3.769 5.412 -8.182 1.00 10.22 O ATOM 345 CG2 THR A 22 5.811 6.552 -7.794 1.00 9.65 C ATOM 0 H THR A 22 5.805 3.722 -8.174 1.00 5.37 H new ATOM 0 HA THR A 22 5.805 4.964 -5.623 1.00 6.01 H new ATOM 0 HB THR A 22 4.188 6.447 -6.411 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.482 6.208 -8.676 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.417 7.413 -8.333 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.507 6.891 -7.026 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.332 5.895 -8.491 1.00 9.65 H new ATOM 353 N ILE A 23 3.434 4.479 -4.478 1.00 8.32 N ATOM 354 CA ILE A 23 2.359 3.937 -3.704 1.00 9.92 C ATOM 355 C ILE A 23 1.105 3.858 -4.460 1.00 10.01 C ATOM 356 O ILE A 23 0.308 2.951 -4.314 1.00 8.71 O ATOM 357 CB ILE A 23 2.171 4.776 -2.461 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.490 4.765 -1.647 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.016 4.341 -1.568 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.164 3.470 -1.320 1.00 12.30 C ATOM 0 H ILE A 23 3.815 5.339 -4.083 1.00 8.32 H new ATOM 0 HA ILE A 23 2.624 2.915 -3.432 1.00 9.92 H new ATOM 0 HB ILE A 23 1.914 5.779 -2.803 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.210 5.375 -2.192 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.291 5.273 -0.703 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.958 5.000 -0.702 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.083 4.395 -2.128 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.180 3.316 -1.234 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.070 3.666 -0.747 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.490 2.847 -0.732 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.424 2.952 -2.243 1.00 12.30 H new ATOM 372 N GLU A 24 0.806 4.747 -5.423 1.00 9.54 N ATOM 373 CA GLU A 24 -0.260 4.754 -6.392 1.00 11.81 C ATOM 374 C GLU A 24 -0.219 3.492 -7.282 1.00 11.14 C ATOM 375 O GLU A 24 -1.263 2.937 -7.681 1.00 10.62 O ATOM 376 CB GLU A 24 -0.050 5.965 -7.317 1.00 19.24 C ATOM 377 CG GLU A 24 -1.229 6.104 -8.297 1.00 27.76 C ATOM 378 CD GLU A 24 -1.146 7.344 -9.101 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.193 7.448 -9.951 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.932 8.275 -8.863 1.00 34.80 O ATOM 0 H GLU A 24 1.391 5.574 -5.539 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.211 4.790 -5.860 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.045 6.873 -6.722 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.881 5.849 -7.872 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.249 5.242 -8.964 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.165 6.097 -7.739 1.00 27.76 H new ATOM 387 N ASN A 25 0.987 2.963 -7.624 1.00 9.43 N ATOM 388 CA ASN A 25 1.255 1.741 -8.359 1.00 10.96 C ATOM 389 C ASN A 25 1.088 0.592 -7.414 1.00 9.68 C ATOM 390 O ASN A 25 0.506 -0.425 -7.812 1.00 9.33 O ATOM 391 CB ASN A 25 2.573 1.569 -9.075 1.00 16.78 C ATOM 392 CG ASN A 25 2.657 2.374 -10.387 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.310 1.858 -11.468 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.079 3.654 -10.397 1.00 24.70 N ATOM 0 H ASN A 25 1.853 3.434 -7.362 1.00 9.43 H new ATOM 0 HA ASN A 25 0.541 1.790 -9.181 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.382 1.878 -8.413 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.726 0.512 -9.294 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.108 4.174 -11.274 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.369 4.102 -9.528 1.00 24.70 H new ATOM 401 N VAL A 26 1.364 0.740 -6.130 1.00 6.52 N ATOM 402 CA VAL A 26 1.164 -0.328 -5.175 1.00 5.53 C ATOM 403 C VAL A 26 -0.264 -0.627 -4.891 1.00 4.42 C ATOM 404 O VAL A 26 -0.653 -1.789 -4.696 1.00 3.40 O ATOM 405 CB VAL A 26 1.966 -0.092 -3.840 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.783 -1.265 -2.854 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.456 0.169 -4.248 1.00 8.12 C ATOM 0 H VAL A 26 1.731 1.601 -5.725 1.00 6.52 H new ATOM 0 HA VAL A 26 1.568 -1.215 -5.663 1.00 5.53 H new ATOM 0 HB VAL A 26 1.590 0.773 -3.294 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.350 -1.068 -1.944 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.727 -1.371 -2.607 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.142 -2.186 -3.313 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.054 0.339 -3.353 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.843 -0.697 -4.784 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.509 1.047 -4.891 1.00 8.12 H new ATOM 417 N LYS A 27 -1.183 0.481 -4.793 1.00 2.64 N ATOM 418 CA LYS A 27 -2.669 0.262 -4.744 1.00 4.14 C ATOM 419 C LYS A 27 -3.181 -0.420 -5.945 1.00 5.58 C ATOM 420 O LYS A 27 -4.054 -1.300 -5.931 1.00 4.11 O ATOM 421 CB LYS A 27 -3.426 1.618 -4.571 1.00 3.97 C ATOM 422 CG LYS A 27 -2.946 2.242 -3.265 1.00 7.45 C ATOM 423 CD LYS A 27 -3.663 3.524 -2.943 1.00 9.02 C ATOM 424 CE LYS A 27 -2.964 4.825 -3.403 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.758 6.074 -3.136 1.00 15.47 N ATOM 0 H LYS A 27 -0.897 1.459 -4.751 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.852 -0.381 -3.883 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.223 2.282 -5.411 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.504 1.456 -4.546 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.094 1.532 -2.451 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.875 2.435 -3.330 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.653 3.487 -3.397 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.808 3.575 -1.864 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.000 4.905 -2.900 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.761 4.758 -4.472 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.736 6.686 -3.977 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.743 5.820 -2.919 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.345 6.582 -2.328 1.00 15.47 H new ATOM 439 N ALA A 28 -2.623 -0.114 -7.150 1.00 6.61 N ATOM 440 CA ALA A 28 -2.980 -0.693 -8.357 1.00 7.74 C ATOM 441 C ALA A 28 -2.578 -2.181 -8.366 1.00 9.17 C ATOM 442 O ALA A 28 -3.341 -3.120 -8.669 1.00 11.45 O ATOM 443 CB ALA A 28 -2.256 0.037 -9.511 1.00 7.68 C ATOM 0 H ALA A 28 -1.884 0.582 -7.247 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.059 -0.611 -8.487 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.536 -0.417 -10.461 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.543 1.089 -9.513 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.178 -0.045 -9.373 1.00 7.68 H new ATOM 449 N LYS A 29 -1.375 -2.501 -7.851 1.00 8.96 N ATOM 450 CA LYS A 29 -0.969 -3.887 -7.580 1.00 7.90 C ATOM 451 C LYS A 29 -1.827 -4.604 -6.554 1.00 6.92 C ATOM 452 O LYS A 29 -2.155 -5.746 -6.749 1.00 6.87 O ATOM 453 CB LYS A 29 0.451 -3.825 -7.042 1.00 10.28 C ATOM 454 CG LYS A 29 1.154 -5.216 -7.049 1.00 14.94 C ATOM 455 CD LYS A 29 1.641 -5.578 -8.483 1.00 19.69 C ATOM 456 CE LYS A 29 2.778 -4.666 -8.905 1.00 22.63 C ATOM 457 NZ LYS A 29 3.375 -5.115 -10.169 1.00 24.98 N ATOM 0 H LYS A 29 -0.664 -1.809 -7.614 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.071 -4.449 -8.509 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.033 -3.125 -7.641 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.434 -3.436 -6.024 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.001 -5.204 -6.364 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.464 -5.980 -6.690 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.971 -6.616 -8.510 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.814 -5.488 -9.188 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.408 -3.647 -9.016 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.540 -4.646 -8.126 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.150 -4.474 -10.434 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.748 -6.079 -10.054 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.651 -5.111 -10.916 1.00 24.98 H new ATOM 471 N ILE A 30 -2.388 -3.905 -5.478 1.00 4.57 N ATOM 472 CA ILE A 30 -3.419 -4.502 -4.572 1.00 5.58 C ATOM 473 C ILE A 30 -4.733 -4.772 -5.395 1.00 7.26 C ATOM 474 O ILE A 30 -5.372 -5.767 -5.159 1.00 9.46 O ATOM 475 CB ILE A 30 -3.775 -3.733 -3.240 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.519 -3.672 -2.354 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.073 -4.135 -2.501 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.763 -3.196 -0.966 1.00 2.00 C ATOM 0 H ILE A 30 -2.134 -2.946 -5.239 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.945 -5.414 -4.209 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.064 -2.725 -3.539 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.073 -4.665 -2.310 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.789 -3.015 -2.826 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.186 -3.523 -1.606 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.929 -3.979 -3.158 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.020 -5.186 -2.218 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.823 -3.185 -0.414 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.178 -2.189 -0.995 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.467 -3.865 -0.470 1.00 2.00 H new ATOM 490 N GLN A 31 -5.196 -3.882 -6.321 1.00 7.06 N ATOM 491 CA GLN A 31 -6.344 -4.160 -7.176 1.00 8.67 C ATOM 492 C GLN A 31 -6.139 -5.359 -8.024 1.00 10.90 C ATOM 493 O GLN A 31 -7.008 -6.212 -8.135 1.00 9.63 O ATOM 494 CB GLN A 31 -6.672 -3.038 -8.167 1.00 9.12 C ATOM 495 CG GLN A 31 -8.059 -3.370 -8.773 1.00 10.76 C ATOM 496 CD GLN A 31 -8.524 -2.139 -9.573 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.822 -1.128 -9.717 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.760 -2.212 -10.120 1.00 14.76 N ATOM 0 H GLN A 31 -4.775 -2.967 -6.479 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.153 -4.290 -6.457 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.691 -2.071 -7.664 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.913 -2.977 -8.947 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.995 -4.245 -9.420 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.774 -3.607 -7.985 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.325 -3.051 -9.992 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.126 -1.428 -10.660 1.00 14.76 H new ATOM 507 N ASP A 32 -4.911 -5.590 -8.552 1.00 10.93 N ATOM 508 CA ASP A 32 -4.585 -6.740 -9.349 1.00 14.01 C ATOM 509 C ASP A 32 -4.792 -8.066 -8.524 1.00 14.04 C ATOM 510 O ASP A 32 -5.134 -9.163 -8.984 1.00 13.39 O ATOM 511 CB ASP A 32 -3.095 -6.615 -9.846 1.00 18.01 C ATOM 512 CG ASP A 32 -2.825 -7.711 -10.862 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.533 -7.836 -11.852 1.00 26.29 O ATOM 514 OD2 ASP A 32 -1.841 -8.467 -10.620 1.00 25.17 O ATOM 0 H ASP A 32 -4.124 -4.955 -8.418 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.249 -6.783 -10.212 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.927 -5.635 -10.294 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.408 -6.703 -9.005 1.00 18.01 H new ATOM 519 N LYS A 33 -4.401 -8.018 -7.228 1.00 14.22 N ATOM 520 CA LYS A 33 -4.411 -9.091 -6.299 1.00 14.00 C ATOM 521 C LYS A 33 -5.768 -9.347 -5.640 1.00 12.37 C ATOM 522 O LYS A 33 -6.300 -10.466 -5.657 1.00 12.17 O ATOM 523 CB LYS A 33 -3.362 -8.708 -5.129 1.00 18.62 C ATOM 524 CG LYS A 33 -3.123 -9.867 -4.076 1.00 24.00 C ATOM 525 CD LYS A 33 -2.525 -11.160 -4.671 1.00 27.61 C ATOM 526 CE LYS A 33 -1.087 -10.982 -5.249 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.597 -12.285 -5.735 1.00 30.06 N ATOM 0 H LYS A 33 -4.053 -7.155 -6.811 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.157 -9.998 -6.848 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.408 -8.441 -5.583 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.724 -7.824 -4.605 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.457 -9.500 -3.295 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.072 -10.108 -3.598 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.503 -11.928 -3.898 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.182 -11.522 -5.462 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.096 -10.257 -6.063 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.419 -10.592 -4.481 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.362 -12.173 -6.122 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.575 -12.964 -4.947 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.231 -12.639 -6.479 1.00 30.06 H new ATOM 541 N GLU A 34 -6.394 -8.383 -4.976 1.00 10.11 N ATOM 542 CA GLU A 34 -7.593 -8.536 -4.187 1.00 10.07 C ATOM 543 C GLU A 34 -8.774 -7.936 -4.857 1.00 9.32 C ATOM 544 O GLU A 34 -9.901 -8.249 -4.406 1.00 11.61 O ATOM 545 CB GLU A 34 -7.467 -7.794 -2.827 1.00 14.77 C ATOM 546 CG GLU A 34 -6.234 -8.131 -1.952 1.00 18.75 C ATOM 547 CD GLU A 34 -6.536 -9.293 -1.059 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.108 -9.121 0.049 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.305 -10.437 -1.517 1.00 25.19 O ATOM 0 H GLU A 34 -6.053 -7.422 -4.979 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.719 -9.610 -4.053 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.458 -6.722 -3.026 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.364 -8.003 -2.243 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.380 -8.364 -2.588 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.957 -7.264 -1.352 1.00 18.75 H new ATOM 556 N GLY A 35 -8.657 -7.084 -5.922 1.00 7.22 N ATOM 557 CA GLY A 35 -9.835 -6.474 -6.528 1.00 6.29 C ATOM 558 C GLY A 35 -10.467 -5.454 -5.722 1.00 6.93 C ATOM 559 O GLY A 35 -11.623 -5.082 -5.948 1.00 7.41 O ATOM 0 H GLY A 35 -7.771 -6.823 -6.354 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.550 -6.037 -7.485 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.565 -7.256 -6.739 1.00 6.29 H new ATOM 563 N ILE A 36 -9.673 -4.822 -4.845 1.00 5.86 N ATOM 564 CA ILE A 36 -10.016 -3.592 -4.039 1.00 6.07 C ATOM 565 C ILE A 36 -9.786 -2.304 -4.893 1.00 6.36 C ATOM 566 O ILE A 36 -8.667 -2.154 -5.278 1.00 6.18 O ATOM 567 CB ILE A 36 -9.334 -3.503 -2.706 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.554 -4.689 -1.894 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.714 -2.211 -1.872 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.454 -4.891 -0.827 1.00 9.49 C ATOM 0 H ILE A 36 -8.727 -5.152 -4.654 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.074 -3.680 -3.794 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.275 -3.429 -2.952 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.523 -4.613 -1.401 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.593 -5.566 -2.541 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.180 -2.221 -0.922 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.436 -1.320 -2.435 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.788 -2.202 -1.685 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.668 -5.790 -0.250 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.486 -4.996 -1.317 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.431 -4.029 -0.160 1.00 9.49 H new ATOM 582 N PRO A 37 -10.765 -1.404 -5.211 1.00 8.65 N ATOM 583 CA PRO A 37 -10.514 -0.199 -5.953 1.00 9.18 C ATOM 584 C PRO A 37 -9.403 0.744 -5.343 1.00 9.85 C ATOM 585 O PRO A 37 -9.487 1.018 -4.159 1.00 8.51 O ATOM 586 CB PRO A 37 -11.883 0.510 -5.937 1.00 11.42 C ATOM 587 CG PRO A 37 -12.833 -0.636 -5.966 1.00 9.27 C ATOM 588 CD PRO A 37 -12.202 -1.589 -4.959 1.00 8.33 C ATOM 0 HA PRO A 37 -10.124 -0.436 -6.943 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.013 1.124 -5.046 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.011 1.167 -6.798 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.840 -0.340 -5.673 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.907 -1.080 -6.958 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.471 -1.334 -3.934 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.514 -2.620 -5.124 1.00 8.33 H new ATOM 596 N PRO A 38 -8.407 1.252 -6.022 1.00 8.71 N ATOM 597 CA PRO A 38 -7.373 2.141 -5.481 1.00 9.08 C ATOM 598 C PRO A 38 -7.880 3.426 -4.880 1.00 9.28 C ATOM 599 O PRO A 38 -7.280 4.015 -3.973 1.00 6.50 O ATOM 600 CB PRO A 38 -6.409 2.347 -6.652 1.00 10.31 C ATOM 601 CG PRO A 38 -6.547 1.062 -7.418 1.00 10.81 C ATOM 602 CD PRO A 38 -7.961 0.629 -7.251 1.00 12.00 C ATOM 0 HA PRO A 38 -6.888 1.691 -4.615 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.684 3.211 -7.257 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.386 2.509 -6.312 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.307 1.209 -8.471 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.861 0.306 -7.037 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.572 0.945 -8.097 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.036 -0.457 -7.192 1.00 12.00 H new ATOM 610 N ASP A 39 -9.055 3.915 -5.365 1.00 11.20 N ATOM 611 CA ASP A 39 -9.671 5.180 -4.906 1.00 14.96 C ATOM 612 C ASP A 39 -10.400 4.808 -3.557 1.00 13.99 C ATOM 613 O ASP A 39 -10.667 5.726 -2.742 1.00 13.75 O ATOM 614 CB ASP A 39 -10.792 5.695 -5.864 1.00 24.16 C ATOM 615 CG ASP A 39 -10.143 6.267 -7.107 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.385 7.284 -6.856 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.432 5.819 -8.242 1.00 34.22 O ATOM 0 H ASP A 39 -9.597 3.438 -6.085 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.900 5.948 -4.837 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.465 4.880 -6.130 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.393 6.456 -5.367 1.00 24.16 H new ATOM 622 N GLN A 40 -10.656 3.535 -3.209 1.00 11.60 N ATOM 623 CA GLN A 40 -11.016 3.208 -1.828 1.00 10.76 C ATOM 624 C GLN A 40 -9.843 3.044 -0.848 1.00 8.01 C ATOM 625 O GLN A 40 -9.916 3.245 0.380 1.00 8.96 O ATOM 626 CB GLN A 40 -11.844 1.916 -1.717 1.00 11.14 C ATOM 627 CG GLN A 40 -13.275 2.052 -2.368 1.00 14.85 C ATOM 628 CD GLN A 40 -14.049 0.696 -2.217 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.844 0.022 -1.171 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.820 0.309 -3.203 1.00 18.16 N ATOM 0 H GLN A 40 -10.621 2.740 -3.847 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.590 4.090 -1.543 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.305 1.101 -2.201 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.951 1.647 -0.666 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.831 2.856 -1.886 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.183 2.315 -3.422 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.941 0.906 -4.021 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.300 -0.590 -3.153 1.00 18.16 H new ATOM 639 N GLN A 41 -8.686 2.549 -1.416 1.00 6.52 N ATOM 640 CA GLN A 41 -7.513 2.128 -0.655 1.00 3.87 C ATOM 641 C GLN A 41 -6.802 3.334 -0.013 1.00 4.79 C ATOM 642 O GLN A 41 -6.761 4.437 -0.599 1.00 6.34 O ATOM 643 CB GLN A 41 -6.493 1.344 -1.553 1.00 4.20 C ATOM 644 CG GLN A 41 -6.975 -0.042 -1.983 1.00 3.20 C ATOM 645 CD GLN A 41 -5.951 -0.709 -2.844 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.733 -0.607 -2.543 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.344 -1.306 -4.001 1.00 7.13 N ATOM 0 H GLN A 41 -8.570 2.442 -2.424 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.871 1.464 0.131 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.281 1.935 -2.444 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.554 1.238 -1.010 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.173 -0.654 -1.103 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.915 0.046 -2.528 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.336 -1.378 -4.226 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.647 -1.681 -4.644 1.00 7.13 H new ATOM 656 N ARG A 42 -6.229 3.172 1.194 1.00 5.73 N ATOM 657 CA ARG A 42 -5.296 4.070 1.832 1.00 6.97 C ATOM 658 C ARG A 42 -4.189 3.193 2.479 1.00 7.15 C ATOM 659 O ARG A 42 -4.500 2.370 3.352 1.00 7.33 O ATOM 660 CB ARG A 42 -5.961 5.002 2.906 1.00 13.23 C ATOM 661 CG ARG A 42 -6.795 6.194 2.396 1.00 21.27 C ATOM 662 CD ARG A 42 -7.443 6.913 3.579 1.00 26.14 C ATOM 663 NE ARG A 42 -7.936 8.276 3.182 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.288 9.212 4.070 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.267 8.931 5.399 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.636 10.495 3.694 1.00 36.39 N ATOM 0 H ARG A 42 -6.429 2.355 1.771 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.888 4.746 1.081 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.604 4.386 3.534 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.171 5.394 3.547 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.159 6.885 1.842 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.563 5.844 1.706 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.274 6.319 3.958 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.722 7.006 4.391 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.005 8.498 2.189 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.983 8.006 5.720 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.536 9.645 6.076 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.630 10.757 2.708 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.899 11.180 4.402 1.00 36.39 H new ATOM 680 N LEU A 43 -2.960 3.443 2.012 1.00 4.65 N ATOM 681 CA LEU A 43 -1.827 2.682 2.436 1.00 3.51 C ATOM 682 C LEU A 43 -1.065 3.376 3.532 1.00 5.56 C ATOM 683 O LEU A 43 -0.886 4.575 3.609 1.00 4.19 O ATOM 684 CB LEU A 43 -0.958 2.234 1.300 1.00 3.74 C ATOM 685 CG LEU A 43 -1.531 1.124 0.403 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.552 0.915 -0.788 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.738 -0.160 1.170 1.00 6.41 C ATOM 0 H LEU A 43 -2.746 4.176 1.336 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.216 1.760 2.869 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.738 3.100 0.675 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.010 1.887 1.710 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.512 1.422 0.033 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.936 0.131 -1.441 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.460 1.844 -1.351 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.427 0.623 -0.407 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.144 -0.921 0.503 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.784 -0.501 1.572 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.436 0.014 1.989 1.00 6.41 H new ATOM 699 N ILE A 44 -0.703 2.478 4.488 1.00 4.58 N ATOM 700 CA ILE A 44 -0.250 2.845 5.783 1.00 5.55 C ATOM 701 C ILE A 44 1.080 2.096 5.955 1.00 5.46 C ATOM 702 O ILE A 44 1.203 0.924 5.616 1.00 6.04 O ATOM 703 CB ILE A 44 -1.244 2.508 6.883 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.667 3.156 6.684 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.677 2.727 8.296 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.757 4.616 7.122 1.00 13.90 C ATOM 0 H ILE A 44 -0.732 1.469 4.339 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.131 3.925 5.868 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.410 1.435 6.788 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.941 3.087 5.631 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.400 2.575 7.243 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.435 2.469 9.036 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.200 2.095 8.438 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.394 3.773 8.416 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.768 4.985 6.952 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.516 4.693 8.182 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.051 5.213 6.545 1.00 13.90 H new ATOM 718 N PHE A 45 2.057 2.702 6.555 1.00 6.75 N ATOM 719 CA PHE A 45 3.259 2.052 7.035 1.00 4.70 C ATOM 720 C PHE A 45 3.493 2.716 8.350 1.00 6.34 C ATOM 721 O PHE A 45 3.232 3.931 8.565 1.00 5.45 O ATOM 722 CB PHE A 45 4.468 2.325 6.064 1.00 5.51 C ATOM 723 CG PHE A 45 5.848 1.761 6.544 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.017 0.591 7.345 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.036 2.432 6.116 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.280 0.137 7.675 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.319 1.843 6.375 1.00 6.64 C ATOM 728 CZ PHE A 45 8.445 0.706 7.135 1.00 6.84 C ATOM 0 H PHE A 45 2.048 3.706 6.736 1.00 6.75 H new ATOM 0 HA PHE A 45 3.163 0.968 7.103 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.236 1.894 5.090 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.563 3.401 5.921 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.148 0.055 7.697 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.968 3.378 5.600 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.374 -0.683 8.372 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.205 2.304 5.963 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.413 0.262 7.313 1.00 6.84 H new ATOM 738 N ALA A 46 3.923 1.939 9.369 1.00 6.53 N ATOM 739 CA ALA A 46 4.291 2.451 10.663 1.00 7.15 C ATOM 740 C ALA A 46 3.319 3.350 11.346 1.00 9.00 C ATOM 741 O ALA A 46 3.675 4.258 12.077 1.00 11.15 O ATOM 742 CB ALA A 46 5.668 3.128 10.708 1.00 8.99 C ATOM 0 H ALA A 46 4.018 0.926 9.292 1.00 6.53 H new ATOM 0 HA ALA A 46 4.306 1.515 11.222 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.865 3.484 11.719 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.436 2.410 10.420 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.682 3.971 10.017 1.00 8.99 H new ATOM 748 N GLY A 47 1.980 3.095 11.196 1.00 9.35 N ATOM 749 CA GLY A 47 0.966 4.025 11.685 1.00 11.68 C ATOM 750 C GLY A 47 0.673 5.297 10.908 1.00 11.14 C ATOM 751 O GLY A 47 -0.205 6.109 11.334 1.00 13.93 O ATOM 0 H GLY A 47 1.605 2.261 10.745 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.030 3.472 11.769 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.254 4.319 12.694 1.00 11.68 H new ATOM 755 N LYS A 48 1.374 5.526 9.754 1.00 10.47 N ATOM 756 CA LYS A 48 1.235 6.787 8.994 1.00 8.82 C ATOM 757 C LYS A 48 0.911 6.602 7.537 1.00 7.68 C ATOM 758 O LYS A 48 1.468 5.697 6.937 1.00 6.47 O ATOM 759 CB LYS A 48 2.452 7.715 9.252 1.00 9.74 C ATOM 760 CG LYS A 48 3.781 7.090 8.726 1.00 14.14 C ATOM 761 CD LYS A 48 5.062 8.052 8.830 1.00 16.32 C ATOM 762 CE LYS A 48 6.331 7.497 8.143 1.00 20.04 C ATOM 763 NZ LYS A 48 7.435 8.480 8.285 1.00 23.92 N ATOM 0 H LYS A 48 2.028 4.859 9.345 1.00 10.47 H new ATOM 0 HA LYS A 48 0.349 7.292 9.380 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.285 8.676 8.766 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.540 7.910 10.321 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.983 6.177 9.285 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.644 6.802 7.684 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.815 9.016 8.386 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.282 8.233 9.882 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.616 6.546 8.593 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.133 7.305 7.089 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.291 8.110 7.824 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.161 9.377 7.837 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.628 8.642 9.294 1.00 23.92 H new ATOM 777 N GLN A 49 0.064 7.469 7.001 1.00 8.89 N ATOM 778 CA GLN A 49 -0.394 7.199 5.657 1.00 7.18 C ATOM 779 C GLN A 49 0.542 7.551 4.564 1.00 8.23 C ATOM 780 O GLN A 49 1.311 8.496 4.749 1.00 9.70 O ATOM 781 CB GLN A 49 -1.716 7.949 5.480 1.00 11.67 C ATOM 782 CG GLN A 49 -2.641 7.582 4.304 1.00 15.82 C ATOM 783 CD GLN A 49 -3.918 8.502 4.271 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.065 9.209 3.260 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.771 8.425 5.317 1.00 20.67 N ATOM 0 H GLN A 49 -0.298 8.312 7.446 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.494 6.117 5.567 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.289 7.823 6.399 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.481 9.010 5.393 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.095 7.680 3.365 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.944 6.538 4.389 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.559 7.811 6.104 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.626 8.981 5.319 1.00 20.67 H new ATOM 794 N LEU A 50 0.523 6.854 3.413 1.00 6.51 N ATOM 795 CA LEU A 50 1.548 6.966 2.422 1.00 7.41 C ATOM 796 C LEU A 50 1.019 7.761 1.229 1.00 8.27 C ATOM 797 O LEU A 50 0.071 7.351 0.605 1.00 8.34 O ATOM 798 CB LEU A 50 2.038 5.606 1.866 1.00 7.13 C ATOM 799 CG LEU A 50 2.706 4.649 2.893 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.179 3.460 2.169 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.888 5.331 3.627 1.00 9.11 C ATOM 0 H LEU A 50 -0.219 6.200 3.166 1.00 6.51 H new ATOM 0 HA LEU A 50 2.384 7.454 2.922 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.187 5.091 1.420 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.750 5.800 1.064 1.00 7.13 H new ATOM 0 HG LEU A 50 1.974 4.373 3.652 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.653 2.772 2.869 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.334 2.966 1.690 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.902 3.760 1.410 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.329 4.630 4.336 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.642 5.634 2.900 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.526 6.209 4.162 1.00 9.11 H new ATOM 813 N GLU A 51 1.684 8.835 0.781 1.00 9.43 N ATOM 814 CA GLU A 51 1.307 9.640 -0.375 1.00 11.90 C ATOM 815 C GLU A 51 1.306 8.884 -1.729 1.00 11.49 C ATOM 816 O GLU A 51 2.100 7.976 -1.912 1.00 9.88 O ATOM 817 CB GLU A 51 2.296 10.859 -0.470 1.00 16.56 C ATOM 818 CG GLU A 51 2.161 11.816 0.730 1.00 26.06 C ATOM 819 CD GLU A 51 2.916 13.153 0.488 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.372 13.400 -0.693 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.974 13.889 1.493 1.00 32.13 O ATOM 0 H GLU A 51 2.531 9.175 1.236 1.00 9.43 H new ATOM 0 HA GLU A 51 0.274 9.948 -0.211 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.320 10.490 -0.524 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.106 11.407 -1.393 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.107 12.022 0.914 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.553 11.334 1.626 1.00 26.06 H new ATOM 828 N ASP A 52 0.477 9.288 -2.687 1.00 12.71 N ATOM 829 CA ASP A 52 0.381 8.523 -3.936 1.00 16.56 C ATOM 830 C ASP A 52 1.672 8.325 -4.715 1.00 15.83 C ATOM 831 O ASP A 52 2.128 7.241 -4.979 1.00 17.21 O ATOM 832 CB ASP A 52 -0.797 9.159 -4.808 1.00 21.05 C ATOM 833 CG ASP A 52 -2.098 8.917 -4.068 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.311 9.441 -2.958 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.960 8.151 -4.615 1.00 25.82 O ATOM 0 H ASP A 52 -0.122 10.112 -2.633 1.00 12.71 H new ATOM 0 HA ASP A 52 0.150 7.493 -3.666 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.632 10.227 -4.953 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.829 8.704 -5.798 1.00 21.05 H new ATOM 840 N GLY A 53 2.316 9.470 -5.044 1.00 15.00 N ATOM 841 CA GLY A 53 3.418 9.528 -5.973 1.00 11.77 C ATOM 842 C GLY A 53 4.781 9.477 -5.391 1.00 11.10 C ATOM 843 O GLY A 53 5.786 9.473 -6.128 1.00 11.25 O ATOM 0 H GLY A 53 2.065 10.379 -4.655 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.316 8.700 -6.675 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.328 10.448 -6.551 1.00 11.77 H new ATOM 847 N ARG A 54 4.895 9.352 -4.038 1.00 8.53 N ATOM 848 CA ARG A 54 6.188 8.920 -3.433 1.00 9.05 C ATOM 849 C ARG A 54 6.394 7.382 -3.569 1.00 8.96 C ATOM 850 O ARG A 54 5.466 6.666 -3.825 1.00 11.60 O ATOM 851 CB ARG A 54 6.288 9.355 -1.984 1.00 7.97 C ATOM 852 CG ARG A 54 6.046 10.846 -1.820 1.00 9.62 C ATOM 853 CD ARG A 54 6.375 11.436 -0.477 1.00 12.20 C ATOM 854 NE ARG A 54 6.019 12.877 -0.393 1.00 18.23 N ATOM 855 CZ ARG A 54 6.902 13.921 -0.566 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.227 13.813 -0.780 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.440 15.137 -0.442 1.00 23.38 N ATOM 0 H ARG A 54 4.144 9.535 -3.372 1.00 8.53 H new ATOM 0 HA ARG A 54 6.988 9.411 -3.987 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.562 8.802 -1.388 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.275 9.103 -1.597 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.630 11.371 -2.576 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.996 11.046 -2.033 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.843 10.886 0.299 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.440 11.315 -0.280 1.00 12.20 H new ATOM 0 HE ARG A 54 5.047 13.111 -0.192 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.663 12.892 -0.826 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.795 14.652 -0.896 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.455 15.289 -0.224 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.064 15.935 -0.563 1.00 23.38 H new ATOM 871 N THR A 55 7.647 6.939 -3.432 1.00 9.05 N ATOM 872 CA THR A 55 8.002 5.564 -3.728 1.00 9.03 C ATOM 873 C THR A 55 8.255 4.652 -2.516 1.00 8.15 C ATOM 874 O THR A 55 8.481 5.187 -1.380 1.00 5.91 O ATOM 875 CB THR A 55 9.205 5.377 -4.667 1.00 11.15 C ATOM 876 OG1 THR A 55 10.490 5.621 -4.052 1.00 11.95 O ATOM 877 CG2 THR A 55 9.146 6.309 -5.874 1.00 11.71 C ATOM 0 H THR A 55 8.426 7.518 -3.118 1.00 9.05 H new ATOM 0 HA THR A 55 7.083 5.259 -4.227 1.00 9.03 H new ATOM 0 HB THR A 55 9.126 4.328 -4.953 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.447 6.443 -3.520 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.017 6.140 -6.507 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.238 6.109 -6.444 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.141 7.345 -5.534 1.00 11.71 H new ATOM 885 N LEU A 56 8.339 3.328 -2.624 1.00 6.91 N ATOM 886 CA LEU A 56 8.779 2.382 -1.638 1.00 8.29 C ATOM 887 C LEU A 56 10.220 2.628 -1.043 1.00 8.05 C ATOM 888 O LEU A 56 10.376 2.470 0.161 1.00 10.17 O ATOM 889 CB LEU A 56 8.774 0.967 -2.293 1.00 6.60 C ATOM 890 CG LEU A 56 7.314 0.614 -2.609 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.328 -0.694 -3.445 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.545 0.379 -1.326 1.00 8.64 C ATOM 0 H LEU A 56 8.072 2.861 -3.491 1.00 6.91 H new ATOM 0 HA LEU A 56 8.088 2.488 -0.802 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.376 0.962 -3.202 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.210 0.230 -1.619 1.00 6.60 H new ATOM 0 HG LEU A 56 6.835 1.427 -3.154 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.305 -0.980 -3.691 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.891 -0.532 -4.364 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.798 -1.490 -2.867 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.511 0.129 -1.562 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.000 -0.444 -0.775 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.570 1.282 -0.716 1.00 8.64 H new ATOM 904 N SER A 57 11.198 3.155 -1.797 1.00 8.92 N ATOM 905 CA SER A 57 12.493 3.567 -1.349 1.00 9.00 C ATOM 906 C SER A 57 12.540 4.701 -0.370 1.00 9.44 C ATOM 907 O SER A 57 13.294 4.693 0.627 1.00 10.91 O ATOM 908 CB SER A 57 13.425 3.711 -2.548 1.00 10.32 C ATOM 909 OG SER A 57 14.805 3.815 -2.156 1.00 13.59 O ATOM 0 H SER A 57 11.074 3.305 -2.798 1.00 8.92 H new ATOM 0 HA SER A 57 12.867 2.765 -0.713 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.300 2.852 -3.208 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.144 4.595 -3.120 1.00 10.32 H new ATOM 0 HG SER A 57 15.366 3.904 -2.955 1.00 13.59 H new ATOM 915 N ASP A 58 11.701 5.749 -0.672 1.00 9.11 N ATOM 916 CA ASP A 58 11.660 6.999 0.000 1.00 7.91 C ATOM 917 C ASP A 58 11.202 6.844 1.453 1.00 9.12 C ATOM 918 O ASP A 58 11.682 7.552 2.388 1.00 8.61 O ATOM 919 CB ASP A 58 10.679 7.897 -0.738 1.00 8.41 C ATOM 920 CG ASP A 58 11.250 8.304 -2.106 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.381 8.869 -2.149 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.662 8.055 -3.199 1.00 11.70 O ATOM 0 H ASP A 58 11.024 5.693 -1.432 1.00 9.11 H new ATOM 0 HA ASP A 58 12.662 7.427 0.011 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.731 7.377 -0.873 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.473 8.787 -0.143 1.00 8.41 H new ATOM 927 N TYR A 59 10.228 5.869 1.690 1.00 7.97 N ATOM 928 CA TYR A 59 9.562 5.608 2.910 1.00 8.45 C ATOM 929 C TYR A 59 10.266 4.496 3.642 1.00 10.98 C ATOM 930 O TYR A 59 9.882 4.064 4.740 1.00 12.95 O ATOM 931 CB TYR A 59 8.138 5.172 2.680 1.00 7.94 C ATOM 932 CG TYR A 59 7.249 6.393 2.492 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.972 7.344 3.556 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.515 6.577 1.318 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.137 8.439 3.291 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.631 7.610 1.075 1.00 6.52 C ATOM 937 CZ TYR A 59 5.411 8.528 2.119 1.00 6.76 C ATOM 938 OH TYR A 59 4.439 9.511 2.082 1.00 7.63 O ATOM 0 H TYR A 59 9.917 5.243 0.947 1.00 7.97 H new ATOM 0 HA TYR A 59 9.569 6.531 3.489 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.082 4.531 1.800 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.787 4.582 3.527 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.403 7.209 4.537 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.650 5.849 0.532 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.060 9.232 4.020 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.130 7.709 0.124 1.00 6.52 H new ATOM 0 HH TYR A 59 4.711 10.262 2.650 1.00 7.63 H new ATOM 948 N ASN A 60 11.447 4.032 3.173 1.00 12.38 N ATOM 949 CA ASN A 60 12.208 2.955 3.714 1.00 13.94 C ATOM 950 C ASN A 60 11.408 1.680 3.875 1.00 14.16 C ATOM 951 O ASN A 60 11.375 1.085 4.953 1.00 14.26 O ATOM 952 CB ASN A 60 12.880 3.322 5.104 1.00 19.23 C ATOM 953 CG ASN A 60 13.536 4.702 4.905 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.094 5.622 5.586 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.593 4.816 4.045 1.00 24.09 N ATOM 0 H ASN A 60 11.895 4.446 2.356 1.00 12.38 H new ATOM 0 HA ASN A 60 12.990 2.778 2.976 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.137 3.354 5.901 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.621 2.575 5.389 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.069 5.712 3.938 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.905 4.005 3.511 1.00 24.09 H new ATOM 962 N ILE A 61 10.684 1.245 2.814 1.00 11.08 N ATOM 963 CA ILE A 61 9.911 0.003 2.770 1.00 11.78 C ATOM 964 C ILE A 61 10.853 -1.011 2.145 1.00 13.74 C ATOM 965 O ILE A 61 11.317 -0.790 1.028 1.00 14.60 O ATOM 966 CB ILE A 61 8.662 0.194 1.965 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.713 1.209 2.713 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.883 -1.121 1.655 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.703 2.027 1.851 1.00 11.42 C ATOM 0 H ILE A 61 10.628 1.774 1.944 1.00 11.08 H new ATOM 0 HA ILE A 61 9.574 -0.327 3.753 1.00 11.78 H new ATOM 0 HB ILE A 61 8.980 0.584 0.998 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.144 0.651 3.456 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.340 1.916 3.256 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.994 -0.888 1.069 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.523 -1.798 1.089 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.587 -1.597 2.590 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.119 2.681 2.498 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.249 2.629 1.124 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.035 1.344 1.327 1.00 11.42 H new ATOM 981 N GLN A 62 10.965 -2.208 2.698 1.00 13.97 N ATOM 982 CA GLN A 62 12.044 -3.095 2.339 1.00 15.52 C ATOM 983 C GLN A 62 11.521 -4.497 2.034 1.00 13.94 C ATOM 984 O GLN A 62 10.348 -4.814 2.275 1.00 12.15 O ATOM 985 CB GLN A 62 13.121 -3.244 3.406 1.00 19.53 C ATOM 986 CG GLN A 62 14.054 -2.096 3.461 1.00 26.38 C ATOM 987 CD GLN A 62 15.044 -2.317 4.610 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.873 -3.301 5.366 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.018 -1.407 4.753 1.00 32.71 N ATOM 0 H GLN A 62 10.320 -2.581 3.395 1.00 13.97 H new ATOM 0 HA GLN A 62 12.492 -2.627 1.463 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.645 -3.363 4.379 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.688 -4.155 3.215 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.589 -1.999 2.516 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.502 -1.168 3.612 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.092 -0.632 4.095 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.685 -1.490 5.520 1.00 32.71 H new ATOM 998 N LYS A 63 12.403 -5.381 1.543 1.00 11.73 N ATOM 999 CA LYS A 63 12.078 -6.785 1.367 1.00 11.97 C ATOM 1000 C LYS A 63 11.442 -7.532 2.529 1.00 10.41 C ATOM 1001 O LYS A 63 12.109 -7.816 3.554 1.00 9.59 O ATOM 1002 CB LYS A 63 13.345 -7.551 0.931 1.00 13.73 C ATOM 1003 CG LYS A 63 13.208 -9.092 0.687 1.00 16.98 C ATOM 1004 CD LYS A 63 14.547 -9.856 0.367 1.00 20.19 C ATOM 1005 CE LYS A 63 14.485 -11.393 0.115 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.300 -12.130 1.394 1.00 25.97 N ATOM 0 H LYS A 63 13.352 -5.135 1.262 1.00 11.73 H new ATOM 0 HA LYS A 63 11.293 -6.759 0.611 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.714 -7.096 0.012 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.110 -7.397 1.692 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.757 -9.542 1.571 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.515 -9.250 -0.139 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.990 -9.393 -0.515 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.233 -9.684 1.196 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.664 -11.622 -0.564 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.403 -11.724 -0.371 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.380 -13.152 1.220 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.031 -11.836 2.073 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.360 -11.918 1.784 1.00 25.97 H new ATOM 1020 N GLU A 64 10.159 -7.851 2.381 1.00 10.04 N ATOM 1021 CA GLU A 64 9.353 -8.545 3.403 1.00 10.94 C ATOM 1022 C GLU A 64 9.086 -7.679 4.618 1.00 9.74 C ATOM 1023 O GLU A 64 8.962 -8.154 5.709 1.00 9.42 O ATOM 1024 CB GLU A 64 9.947 -9.884 3.793 1.00 18.31 C ATOM 1025 CG GLU A 64 10.033 -10.938 2.682 1.00 24.16 C ATOM 1026 CD GLU A 64 10.834 -12.158 3.153 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.430 -12.855 4.138 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.813 -12.468 2.457 1.00 32.61 O ATOM 0 H GLU A 64 9.633 -7.634 1.535 1.00 10.04 H new ATOM 0 HA GLU A 64 8.387 -8.746 2.939 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.951 -9.713 4.181 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.355 -10.296 4.610 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.030 -11.247 2.388 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.505 -10.506 1.799 1.00 24.16 H new ATOM 1035 N SER A 65 9.074 -6.362 4.453 1.00 6.85 N ATOM 1036 CA SER A 65 8.705 -5.436 5.477 1.00 6.90 C ATOM 1037 C SER A 65 7.134 -5.322 5.417 1.00 4.72 C ATOM 1038 O SER A 65 6.479 -5.590 4.390 1.00 3.91 O ATOM 1039 CB SER A 65 9.473 -4.081 5.298 1.00 7.28 C ATOM 1040 OG SER A 65 9.178 -3.066 6.263 1.00 10.56 O ATOM 0 H SER A 65 9.330 -5.912 3.574 1.00 6.85 H new ATOM 0 HA SER A 65 8.991 -5.768 6.475 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.543 -4.285 5.329 1.00 7.28 H new ATOM 0 HB3 SER A 65 9.252 -3.688 4.306 1.00 7.28 H new ATOM 0 HG SER A 65 9.706 -2.264 6.067 1.00 10.56 H new ATOM 1046 N THR A 66 6.489 -4.934 6.568 1.00 4.48 N ATOM 1047 CA THR A 66 5.024 -4.931 6.723 1.00 3.80 C ATOM 1048 C THR A 66 4.380 -3.569 6.425 1.00 4.60 C ATOM 1049 O THR A 66 4.942 -2.505 6.825 1.00 5.33 O ATOM 1050 CB THR A 66 4.540 -5.448 8.052 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.274 -6.666 8.284 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.049 -5.846 8.022 1.00 3.40 C ATOM 0 H THR A 66 6.985 -4.619 7.401 1.00 4.48 H new ATOM 0 HA THR A 66 4.693 -5.638 5.962 1.00 3.80 H new ATOM 0 HB THR A 66 4.678 -4.674 8.807 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.002 -7.053 9.142 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.750 -6.212 9.004 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.446 -4.977 7.760 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.897 -6.631 7.281 1.00 3.40 H new ATOM 1060 N LEU A 67 3.283 -3.429 5.649 1.00 4.17 N ATOM 1061 CA LEU A 67 2.437 -2.224 5.430 1.00 3.85 C ATOM 1062 C LEU A 67 1.118 -2.582 6.036 1.00 3.80 C ATOM 1063 O LEU A 67 0.844 -3.721 6.393 1.00 5.54 O ATOM 1064 CB LEU A 67 2.205 -1.919 3.900 1.00 7.18 C ATOM 1065 CG LEU A 67 3.541 -1.708 3.115 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.419 -1.608 1.599 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.433 -0.593 3.700 1.00 11.66 C ATOM 0 H LEU A 67 2.932 -4.222 5.111 1.00 4.17 H new ATOM 0 HA LEU A 67 2.912 -1.342 5.860 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.651 -2.743 3.450 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.586 -1.027 3.802 1.00 7.18 H new ATOM 0 HG LEU A 67 4.057 -2.654 3.279 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.407 -1.463 1.163 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.981 -2.526 1.208 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.781 -0.763 1.340 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.342 -0.504 3.104 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.892 0.353 3.681 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.696 -0.840 4.729 1.00 11.66 H new ATOM 1079 N HIS A 68 0.313 -1.582 6.346 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.103 -1.699 6.694 1.00 4.17 C ATOM 1081 C HIS A 68 -1.977 -1.086 5.651 1.00 5.32 C ATOM 1082 O HIS A 68 -1.556 -0.160 5.006 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.368 -1.168 8.060 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.920 -2.154 9.222 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.344 -2.467 9.534 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.737 -2.801 10.075 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.271 -3.418 10.503 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.998 -3.661 10.884 1.00 16.30 N ATOM 0 H HIS A 68 0.639 -0.616 6.365 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.359 -2.758 6.718 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.847 -0.218 8.179 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.434 -0.962 8.160 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.808 -2.672 10.125 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.131 -3.921 10.919 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.335 -4.314 11.591 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.208 -1.604 5.450 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.122 -1.084 4.456 1.00 3.97 C ATOM 1098 C LEU A 69 -5.335 -0.665 5.381 1.00 5.07 C ATOM 1099 O LEU A 69 -5.749 -1.430 6.257 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.551 -2.108 3.355 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.753 -1.708 2.394 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.470 -0.422 1.598 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.134 -2.941 1.549 1.00 9.96 C ATOM 0 H LEU A 69 -3.579 -2.393 5.980 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.687 -0.287 3.853 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.680 -2.314 2.733 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.816 -3.041 3.852 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.632 -1.435 2.978 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.323 -0.195 0.958 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.305 0.405 2.289 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.582 -0.563 0.982 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.958 -2.685 0.883 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.274 -3.257 0.958 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.439 -3.754 2.208 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.972 0.500 5.124 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.239 0.899 5.710 1.00 6.26 C ATOM 1117 C VAL A 70 -7.931 1.467 4.450 1.00 9.22 C ATOM 1118 O VAL A 70 -7.316 1.722 3.411 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.175 1.954 6.770 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.453 1.329 7.957 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.452 3.246 6.349 1.00 8.54 C ATOM 0 H VAL A 70 -5.595 1.197 4.483 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.722 0.076 6.237 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.194 2.266 6.999 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.378 2.059 8.763 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.011 0.460 8.305 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.453 1.021 7.653 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.455 3.952 7.180 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.423 3.014 6.073 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.965 3.689 5.495 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.264 1.493 4.534 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.017 1.990 3.373 1.00 16.06 C ATOM 1133 C LEU A 71 -10.693 3.328 3.616 1.00 18.09 C ATOM 1134 O LEU A 71 -11.184 3.651 4.700 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.101 0.993 2.898 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.552 -0.448 2.492 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.783 -1.256 1.928 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.536 -0.443 1.339 1.00 19.57 C ATOM 0 H LEU A 71 -9.818 1.197 5.337 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.257 2.112 2.602 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.839 0.875 3.692 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.620 1.423 2.042 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.070 -0.858 3.379 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.459 -2.254 1.634 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.550 -1.335 2.698 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.192 -0.738 1.061 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.217 -1.464 1.131 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.999 -0.019 0.448 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.671 0.157 1.619 1.00 19.57 H new