USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 364 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.0066) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.59 (180deg=-1.77!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.636 -8.178 -26.205 1.00 0.00 N ATOM 2 CA MET A 1 30.375 -8.764 -24.860 1.00 0.00 C ATOM 3 C MET A 1 30.246 -7.640 -23.837 1.00 0.00 C ATOM 4 O MET A 1 29.728 -7.841 -22.739 1.00 0.00 O ATOM 5 CB MET A 1 31.533 -9.687 -24.473 1.00 0.00 C ATOM 6 CG MET A 1 31.870 -10.617 -25.641 1.00 0.00 C ATOM 7 SD MET A 1 33.481 -10.158 -26.328 1.00 0.00 S ATOM 8 CE MET A 1 33.030 -10.290 -28.076 1.00 0.00 C ATOM 0 H1 MET A 1 30.377 -8.867 -26.940 1.00 0.00 H new ATOM 0 H2 MET A 1 30.068 -7.315 -26.324 1.00 0.00 H new ATOM 0 H3 MET A 1 31.645 -7.943 -26.291 1.00 0.00 H new ATOM 0 HA MET A 1 29.450 -9.340 -24.883 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.408 -9.095 -24.204 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.264 -10.274 -23.595 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.888 -11.653 -25.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.101 -10.547 -26.410 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.903 -10.079 -28.694 1.00 0.00 H new ATOM 0 HE2 MET A 1 32.673 -11.299 -28.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 32.242 -9.572 -28.304 1.00 0.00 H new ATOM 18 N GLY A 2 30.729 -6.457 -24.204 1.00 0.00 N ATOM 19 CA GLY A 2 30.674 -5.304 -23.312 1.00 0.00 C ATOM 20 C GLY A 2 29.257 -5.066 -22.796 1.00 0.00 C ATOM 21 O GLY A 2 28.281 -5.266 -23.518 1.00 0.00 O ATOM 0 H GLY A 2 31.161 -6.272 -25.109 1.00 0.00 H new ATOM 0 HA2 GLY A 2 31.348 -5.461 -22.470 1.00 0.00 H new ATOM 0 HA3 GLY A 2 31.025 -4.417 -23.840 1.00 0.00 H new ATOM 25 N LEU A 3 29.163 -4.621 -21.547 1.00 0.00 N ATOM 26 CA LEU A 3 27.869 -4.335 -20.934 1.00 0.00 C ATOM 27 C LEU A 3 27.700 -2.817 -20.772 1.00 0.00 C ATOM 28 O LEU A 3 28.508 -2.186 -20.092 1.00 0.00 O ATOM 29 CB LEU A 3 27.795 -5.000 -19.556 1.00 0.00 C ATOM 30 CG LEU A 3 26.346 -5.391 -19.246 1.00 0.00 C ATOM 31 CD1 LEU A 3 26.055 -6.786 -19.806 1.00 0.00 C ATOM 32 CD2 LEU A 3 26.137 -5.402 -17.728 1.00 0.00 C ATOM 0 H LEU A 3 29.965 -4.451 -20.940 1.00 0.00 H new ATOM 0 HA LEU A 3 27.076 -4.725 -21.572 1.00 0.00 H new ATOM 0 HB2 LEU A 3 28.433 -5.884 -19.534 1.00 0.00 H new ATOM 0 HB3 LEU A 3 28.169 -4.318 -18.792 1.00 0.00 H new ATOM 0 HG LEU A 3 25.672 -4.669 -19.706 1.00 0.00 H new ATOM 0 HD11 LEU A 3 25.024 -7.060 -19.583 1.00 0.00 H new ATOM 0 HD12 LEU A 3 26.204 -6.783 -20.886 1.00 0.00 H new ATOM 0 HD13 LEU A 3 26.729 -7.510 -19.348 1.00 0.00 H new ATOM 0 HD21 LEU A 3 25.107 -5.680 -17.505 1.00 0.00 H new ATOM 0 HD22 LEU A 3 26.815 -6.124 -17.273 1.00 0.00 H new ATOM 0 HD23 LEU A 3 26.341 -4.410 -17.325 1.00 0.00 H new ATOM 43 N PRO A 4 26.694 -2.204 -21.362 1.00 0.00 N ATOM 44 CA PRO A 4 26.496 -0.733 -21.232 1.00 0.00 C ATOM 45 C PRO A 4 25.914 -0.339 -19.871 1.00 0.00 C ATOM 46 O PRO A 4 26.621 0.212 -19.025 1.00 0.00 O ATOM 47 CB PRO A 4 25.532 -0.396 -22.368 1.00 0.00 C ATOM 48 CG PRO A 4 24.760 -1.647 -22.627 1.00 0.00 C ATOM 49 CD PRO A 4 25.653 -2.819 -22.210 1.00 0.00 C ATOM 0 HA PRO A 4 27.437 -0.187 -21.294 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.869 0.423 -22.089 1.00 0.00 H new ATOM 0 HB3 PRO A 4 26.073 -0.078 -23.259 1.00 0.00 H new ATOM 0 HG2 PRO A 4 23.829 -1.650 -22.059 1.00 0.00 H new ATOM 0 HG3 PRO A 4 24.491 -1.723 -23.681 1.00 0.00 H new ATOM 0 HD2 PRO A 4 25.088 -3.573 -21.662 1.00 0.00 H new ATOM 0 HD3 PRO A 4 26.089 -3.315 -23.077 1.00 0.00 H new ATOM 54 N GLY A 5 24.626 -0.603 -19.670 1.00 0.00 N ATOM 55 CA GLY A 5 23.984 -0.241 -18.408 1.00 0.00 C ATOM 56 C GLY A 5 23.358 1.148 -18.497 1.00 0.00 C ATOM 57 O GLY A 5 23.376 1.914 -17.532 1.00 0.00 O ATOM 0 H GLY A 5 24.015 -1.057 -20.349 1.00 0.00 H new ATOM 0 HA2 GLY A 5 23.217 -0.975 -18.161 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.718 -0.263 -17.602 1.00 0.00 H new ATOM 61 N ARG A 6 22.793 1.452 -19.659 1.00 0.00 N ATOM 62 CA ARG A 6 22.139 2.741 -19.877 1.00 0.00 C ATOM 63 C ARG A 6 21.347 3.141 -18.636 1.00 0.00 C ATOM 64 O ARG A 6 21.004 2.292 -17.812 1.00 0.00 O ATOM 65 CB ARG A 6 21.193 2.687 -21.088 1.00 0.00 C ATOM 66 CG ARG A 6 20.667 1.260 -21.296 1.00 0.00 C ATOM 67 CD ARG A 6 21.689 0.421 -22.078 1.00 0.00 C ATOM 68 NE ARG A 6 21.255 0.209 -23.456 1.00 0.00 N ATOM 69 CZ ARG A 6 20.129 -0.436 -23.745 1.00 0.00 C ATOM 70 NH1 ARG A 6 19.350 -0.852 -22.786 1.00 0.00 N ATOM 71 NH2 ARG A 6 19.803 -0.652 -24.991 1.00 0.00 N ATOM 0 H ARG A 6 22.773 0.827 -20.465 1.00 0.00 H new ATOM 0 HA ARG A 6 22.915 3.481 -20.075 1.00 0.00 H new ATOM 0 HB2 ARG A 6 20.358 3.370 -20.935 1.00 0.00 H new ATOM 0 HB3 ARG A 6 21.718 3.021 -21.983 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.468 0.795 -20.331 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.721 1.290 -21.837 1.00 0.00 H new ATOM 0 HD2 ARG A 6 22.656 0.923 -22.072 1.00 0.00 H new ATOM 0 HD3 ARG A 6 21.826 -0.541 -21.585 1.00 0.00 H new ATOM 0 HE ARG A 6 21.832 0.566 -24.218 1.00 0.00 H new ATOM 0 HH11 ARG A 6 19.604 -0.683 -21.813 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.486 -1.347 -23.009 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.412 -0.326 -25.741 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.939 -1.147 -25.214 1.00 0.00 H new ATOM 82 N VAL A 7 21.023 4.428 -18.528 1.00 0.00 N ATOM 83 CA VAL A 7 20.228 4.911 -17.403 1.00 0.00 C ATOM 84 C VAL A 7 19.049 5.739 -17.921 1.00 0.00 C ATOM 85 O VAL A 7 19.158 6.957 -18.058 1.00 0.00 O ATOM 86 CB VAL A 7 21.098 5.774 -16.487 1.00 0.00 C ATOM 87 CG1 VAL A 7 21.467 4.979 -15.235 1.00 0.00 C ATOM 88 CG2 VAL A 7 22.375 6.178 -17.231 1.00 0.00 C ATOM 0 H VAL A 7 21.295 5.147 -19.198 1.00 0.00 H new ATOM 0 HA VAL A 7 19.850 4.058 -16.840 1.00 0.00 H new ATOM 0 HB VAL A 7 20.546 6.668 -16.198 1.00 0.00 H new ATOM 0 HG11 VAL A 7 22.087 5.594 -14.583 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.559 4.691 -14.706 1.00 0.00 H new ATOM 0 HG13 VAL A 7 22.019 4.084 -15.522 1.00 0.00 H new ATOM 0 HG21 VAL A 7 22.996 6.793 -16.580 1.00 0.00 H new ATOM 0 HG22 VAL A 7 22.927 5.283 -17.520 1.00 0.00 H new ATOM 0 HG23 VAL A 7 22.112 6.746 -18.124 1.00 0.00 H new ATOM 98 N PRO A 8 17.925 5.120 -18.198 1.00 0.00 N ATOM 99 CA PRO A 8 16.724 5.846 -18.687 1.00 0.00 C ATOM 100 C PRO A 8 16.047 6.655 -17.586 1.00 0.00 C ATOM 101 O PRO A 8 15.724 6.123 -16.525 1.00 0.00 O ATOM 102 CB PRO A 8 15.788 4.752 -19.220 1.00 0.00 C ATOM 103 CG PRO A 8 16.448 3.431 -18.955 1.00 0.00 C ATOM 104 CD PRO A 8 17.676 3.678 -18.080 1.00 0.00 C ATOM 0 HA PRO A 8 16.991 6.575 -19.452 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.818 4.803 -18.726 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.610 4.885 -20.287 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.755 2.753 -18.456 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.738 2.956 -19.892 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.491 3.390 -17.045 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.532 3.098 -18.424 1.00 0.00 H new ATOM 109 N LEU A 9 15.803 7.935 -17.850 1.00 0.00 N ATOM 110 CA LEU A 9 15.128 8.779 -16.872 1.00 0.00 C ATOM 111 C LEU A 9 13.688 8.305 -16.718 1.00 0.00 C ATOM 112 O LEU A 9 13.117 8.333 -15.634 1.00 0.00 O ATOM 113 CB LEU A 9 15.141 10.234 -17.336 1.00 0.00 C ATOM 114 CG LEU A 9 16.205 11.012 -16.558 1.00 0.00 C ATOM 115 CD1 LEU A 9 17.571 10.356 -16.764 1.00 0.00 C ATOM 116 CD2 LEU A 9 16.252 12.454 -17.065 1.00 0.00 C ATOM 0 H LEU A 9 16.058 8.404 -18.719 1.00 0.00 H new ATOM 0 HA LEU A 9 15.646 8.710 -15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.349 10.283 -18.405 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.161 10.684 -17.181 1.00 0.00 H new ATOM 0 HG LEU A 9 15.956 11.006 -15.497 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.328 10.911 -16.210 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.539 9.328 -16.404 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.821 10.362 -17.825 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.009 13.010 -16.512 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.501 12.459 -18.126 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.279 12.923 -16.919 1.00 0.00 H new ATOM 127 N TRP A 10 13.121 7.874 -17.832 1.00 0.00 N ATOM 128 CA TRP A 10 11.748 7.388 -17.848 1.00 0.00 C ATOM 129 C TRP A 10 11.576 6.256 -16.838 1.00 0.00 C ATOM 130 O TRP A 10 10.536 6.140 -16.193 1.00 0.00 O ATOM 131 CB TRP A 10 11.385 6.881 -19.242 1.00 0.00 C ATOM 132 CG TRP A 10 11.106 8.036 -20.154 1.00 0.00 C ATOM 133 CD1 TRP A 10 10.184 9.001 -19.932 1.00 0.00 C ATOM 134 CD2 TRP A 10 11.737 8.358 -21.427 1.00 0.00 C ATOM 135 NE1 TRP A 10 10.207 9.894 -20.989 1.00 0.00 N ATOM 136 CE2 TRP A 10 11.149 9.542 -21.935 1.00 0.00 C ATOM 137 CE3 TRP A 10 12.752 7.746 -22.183 1.00 0.00 C ATOM 138 CZ2 TRP A 10 11.553 10.096 -23.150 1.00 0.00 C ATOM 139 CZ3 TRP A 10 13.162 8.301 -23.407 1.00 0.00 C ATOM 140 CH2 TRP A 10 12.564 9.473 -23.888 1.00 0.00 C ATOM 0 H TRP A 10 13.589 7.850 -18.738 1.00 0.00 H new ATOM 0 HA TRP A 10 11.088 8.213 -17.580 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.201 6.280 -19.643 1.00 0.00 H new ATOM 0 HB3 TRP A 10 10.510 6.233 -19.185 1.00 0.00 H new ATOM 0 HD1 TRP A 10 9.536 9.064 -19.070 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.602 10.712 -21.060 1.00 0.00 H new ATOM 0 HE3 TRP A 10 13.220 6.843 -21.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 11.088 10.999 -23.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 13.942 7.822 -23.980 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.884 9.895 -24.829 1.00 0.00 H new ATOM 150 N VAL A 11 12.595 5.413 -16.723 1.00 0.00 N ATOM 151 CA VAL A 11 12.540 4.277 -15.805 1.00 0.00 C ATOM 152 C VAL A 11 12.163 4.719 -14.393 1.00 0.00 C ATOM 153 O VAL A 11 11.479 3.989 -13.676 1.00 0.00 O ATOM 154 CB VAL A 11 13.879 3.523 -15.794 1.00 0.00 C ATOM 155 CG1 VAL A 11 14.773 4.032 -14.663 1.00 0.00 C ATOM 156 CG2 VAL A 11 13.614 2.029 -15.591 1.00 0.00 C ATOM 0 H VAL A 11 13.465 5.492 -17.249 1.00 0.00 H new ATOM 0 HA VAL A 11 11.763 3.601 -16.162 1.00 0.00 H new ATOM 0 HB VAL A 11 14.384 3.690 -16.745 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.716 3.486 -14.671 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.968 5.095 -14.803 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.273 3.878 -13.707 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.561 1.489 -15.582 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.101 1.876 -14.642 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.991 1.656 -16.404 1.00 0.00 H new ATOM 166 N ILE A 12 12.610 5.904 -13.984 1.00 0.00 N ATOM 167 CA ILE A 12 12.295 6.385 -12.641 1.00 0.00 C ATOM 168 C ILE A 12 10.791 6.299 -12.402 1.00 0.00 C ATOM 169 O ILE A 12 10.354 5.945 -11.308 1.00 0.00 O ATOM 170 CB ILE A 12 12.769 7.840 -12.440 1.00 0.00 C ATOM 171 CG1 ILE A 12 14.203 7.856 -11.894 1.00 0.00 C ATOM 172 CG2 ILE A 12 11.862 8.561 -11.437 1.00 0.00 C ATOM 173 CD1 ILE A 12 15.160 7.218 -12.903 1.00 0.00 C ATOM 0 H ILE A 12 13.178 6.536 -14.548 1.00 0.00 H new ATOM 0 HA ILE A 12 12.820 5.754 -11.924 1.00 0.00 H new ATOM 0 HB ILE A 12 12.730 8.346 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 12 14.510 8.881 -11.689 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.246 7.315 -10.949 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.208 9.586 -11.305 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.839 8.569 -11.812 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.893 8.041 -10.479 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.174 7.235 -12.504 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.860 6.186 -13.087 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.128 7.777 -13.838 1.00 0.00 H new ATOM 184 N LEU A 13 9.999 6.635 -13.416 1.00 0.00 N ATOM 185 CA LEU A 13 8.552 6.587 -13.251 1.00 0.00 C ATOM 186 C LEU A 13 8.130 5.167 -12.911 1.00 0.00 C ATOM 187 O LEU A 13 7.472 4.936 -11.897 1.00 0.00 O ATOM 188 CB LEU A 13 7.853 7.040 -14.536 1.00 0.00 C ATOM 189 CG LEU A 13 7.776 8.568 -14.564 1.00 0.00 C ATOM 190 CD1 LEU A 13 7.883 9.060 -16.009 1.00 0.00 C ATOM 191 CD2 LEU A 13 6.441 9.019 -13.971 1.00 0.00 C ATOM 0 H LEU A 13 10.323 6.935 -14.335 1.00 0.00 H new ATOM 0 HA LEU A 13 8.265 7.259 -12.442 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.399 6.677 -15.407 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.851 6.614 -14.587 1.00 0.00 H new ATOM 0 HG LEU A 13 8.596 8.984 -13.978 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.828 10.148 -16.028 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.834 8.737 -16.434 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.064 8.645 -16.596 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.384 10.107 -13.990 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.623 8.602 -14.558 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.363 8.669 -12.942 1.00 0.00 H new ATOM 202 N LEU A 14 8.522 4.206 -13.748 1.00 0.00 N ATOM 203 CA LEU A 14 8.183 2.816 -13.493 1.00 0.00 C ATOM 204 C LEU A 14 8.686 2.435 -12.114 1.00 0.00 C ATOM 205 O LEU A 14 8.082 1.619 -11.416 1.00 0.00 O ATOM 206 CB LEU A 14 8.833 1.909 -14.545 1.00 0.00 C ATOM 207 CG LEU A 14 7.814 1.545 -15.632 1.00 0.00 C ATOM 208 CD1 LEU A 14 6.727 0.630 -15.056 1.00 0.00 C ATOM 209 CD2 LEU A 14 7.168 2.821 -16.175 1.00 0.00 C ATOM 0 H LEU A 14 9.067 4.366 -14.595 1.00 0.00 H new ATOM 0 HA LEU A 14 7.101 2.692 -13.545 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.689 2.414 -14.993 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.210 1.003 -14.071 1.00 0.00 H new ATOM 0 HG LEU A 14 8.329 1.021 -16.437 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.010 0.379 -15.838 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.184 -0.284 -14.676 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.213 1.143 -14.243 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.444 2.562 -16.947 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.662 3.346 -15.365 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.937 3.466 -16.600 1.00 0.00 H new ATOM 220 N SER A 15 9.798 3.047 -11.727 1.00 0.00 N ATOM 221 CA SER A 15 10.360 2.763 -10.418 1.00 0.00 C ATOM 222 C SER A 15 9.390 3.280 -9.370 1.00 0.00 C ATOM 223 O SER A 15 8.891 2.524 -8.537 1.00 0.00 O ATOM 224 CB SER A 15 11.717 3.450 -10.262 1.00 0.00 C ATOM 225 OG SER A 15 12.523 2.701 -9.361 1.00 0.00 O ATOM 0 H SER A 15 10.316 3.726 -12.286 1.00 0.00 H new ATOM 0 HA SER A 15 10.510 1.690 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.211 3.529 -11.230 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.583 4.465 -9.889 1.00 0.00 H new ATOM 0 HG SER A 15 13.394 3.138 -9.261 1.00 0.00 H new ATOM 230 N ALA A 16 9.129 4.580 -9.419 1.00 0.00 N ATOM 231 CA ALA A 16 8.218 5.205 -8.472 1.00 0.00 C ATOM 232 C ALA A 16 6.837 4.567 -8.541 1.00 0.00 C ATOM 233 O ALA A 16 6.115 4.538 -7.543 1.00 0.00 O ATOM 234 CB ALA A 16 8.103 6.702 -8.770 1.00 0.00 C ATOM 0 H ALA A 16 9.534 5.219 -10.103 1.00 0.00 H new ATOM 0 HA ALA A 16 8.619 5.059 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.419 7.163 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.085 7.167 -8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.722 6.843 -9.782 1.00 0.00 H new ATOM 240 N PHE A 17 6.461 4.064 -9.714 1.00 0.00 N ATOM 241 CA PHE A 17 5.150 3.440 -9.880 1.00 0.00 C ATOM 242 C PHE A 17 5.140 2.031 -9.291 1.00 0.00 C ATOM 243 O PHE A 17 4.203 1.648 -8.589 1.00 0.00 O ATOM 244 CB PHE A 17 4.815 3.377 -11.370 1.00 0.00 C ATOM 245 CG PHE A 17 3.401 2.886 -11.576 1.00 0.00 C ATOM 246 CD1 PHE A 17 2.320 3.754 -11.382 1.00 0.00 C ATOM 247 CD2 PHE A 17 3.174 1.566 -11.982 1.00 0.00 C ATOM 248 CE1 PHE A 17 1.012 3.301 -11.594 1.00 0.00 C ATOM 249 CE2 PHE A 17 1.866 1.113 -12.194 1.00 0.00 C ATOM 250 CZ PHE A 17 0.784 1.981 -12.000 1.00 0.00 C ATOM 0 H PHE A 17 7.038 4.075 -10.555 1.00 0.00 H new ATOM 0 HA PHE A 17 4.405 4.036 -9.352 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.932 4.364 -11.817 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.514 2.713 -11.878 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.495 4.773 -11.069 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.008 0.896 -12.132 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.178 3.971 -11.444 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.692 0.094 -12.507 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.225 1.632 -12.163 1.00 0.00 H new ATOM 259 N ALA A 18 6.186 1.265 -9.586 1.00 0.00 N ATOM 260 CA ALA A 18 6.290 -0.102 -9.082 1.00 0.00 C ATOM 261 C ALA A 18 6.449 -0.100 -7.567 1.00 0.00 C ATOM 262 O ALA A 18 5.993 -1.013 -6.880 1.00 0.00 O ATOM 263 CB ALA A 18 7.490 -0.803 -9.719 1.00 0.00 C ATOM 0 H ALA A 18 6.969 1.564 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 18 5.376 -0.637 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.561 -1.822 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.364 -0.828 -10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.402 -0.259 -9.472 1.00 0.00 H new ATOM 269 N GLY A 19 7.094 0.941 -7.055 1.00 0.00 N ATOM 270 CA GLY A 19 7.304 1.065 -5.620 1.00 0.00 C ATOM 271 C GLY A 19 6.015 1.491 -4.929 1.00 0.00 C ATOM 272 O GLY A 19 5.729 1.073 -3.808 1.00 0.00 O ATOM 0 H GLY A 19 7.478 1.707 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.645 0.113 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.088 1.796 -5.423 1.00 0.00 H new ATOM 276 N LEU A 20 5.241 2.325 -5.616 1.00 0.00 N ATOM 277 CA LEU A 20 3.977 2.809 -5.072 1.00 0.00 C ATOM 278 C LEU A 20 2.959 1.677 -4.973 1.00 0.00 C ATOM 279 O LEU A 20 2.209 1.594 -4.004 1.00 0.00 O ATOM 280 CB LEU A 20 3.418 3.916 -5.971 1.00 0.00 C ATOM 281 CG LEU A 20 2.229 4.599 -5.284 1.00 0.00 C ATOM 282 CD1 LEU A 20 2.692 5.902 -4.634 1.00 0.00 C ATOM 283 CD2 LEU A 20 1.152 4.908 -6.327 1.00 0.00 C ATOM 0 H LEU A 20 5.465 2.678 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 20 4.162 3.201 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.195 4.649 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.104 3.496 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 20 1.822 3.937 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.846 6.386 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.462 5.686 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.099 6.565 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.305 5.394 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.563 5.570 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.820 3.980 -6.793 1.00 0.00 H new ATOM 294 N LEU A 21 2.930 0.814 -5.981 1.00 0.00 N ATOM 295 CA LEU A 21 1.986 -0.296 -5.991 1.00 0.00 C ATOM 296 C LEU A 21 2.343 -1.296 -4.905 1.00 0.00 C ATOM 297 O LEU A 21 1.484 -1.737 -4.141 1.00 0.00 O ATOM 298 CB LEU A 21 2.006 -0.991 -7.354 1.00 0.00 C ATOM 299 CG LEU A 21 0.734 -0.641 -8.128 1.00 0.00 C ATOM 300 CD1 LEU A 21 0.654 0.874 -8.329 1.00 0.00 C ATOM 301 CD2 LEU A 21 0.761 -1.333 -9.493 1.00 0.00 C ATOM 0 H LEU A 21 3.543 0.860 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 21 0.986 0.095 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.885 -0.680 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.078 -2.071 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.136 -0.978 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.253 1.120 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.634 1.369 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.524 1.213 -8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.145 -1.084 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.632 -0.996 -10.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.815 -2.413 -9.353 1.00 0.00 H new ATOM 312 N LEU A 22 3.622 -1.632 -4.833 1.00 0.00 N ATOM 313 CA LEU A 22 4.090 -2.566 -3.827 1.00 0.00 C ATOM 314 C LEU A 22 3.980 -1.930 -2.451 1.00 0.00 C ATOM 315 O LEU A 22 3.677 -2.606 -1.467 1.00 0.00 O ATOM 316 CB LEU A 22 5.548 -2.955 -4.101 1.00 0.00 C ATOM 317 CG LEU A 22 5.607 -4.337 -4.765 1.00 0.00 C ATOM 318 CD1 LEU A 22 5.171 -5.420 -3.771 1.00 0.00 C ATOM 319 CD2 LEU A 22 4.677 -4.359 -5.980 1.00 0.00 C ATOM 0 H LEU A 22 4.347 -1.274 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 22 3.473 -3.464 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.016 -2.212 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.111 -2.966 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 22 6.631 -4.535 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.217 -6.396 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.836 -5.410 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.150 -5.224 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.718 -5.341 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.656 -4.153 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.994 -3.599 -6.694 1.00 0.00 H new ATOM 330 N LEU A 23 4.223 -0.622 -2.383 1.00 0.00 N ATOM 331 CA LEU A 23 4.140 0.074 -1.104 1.00 0.00 C ATOM 332 C LEU A 23 2.682 0.251 -0.681 1.00 0.00 C ATOM 333 O LEU A 23 2.319 -0.033 0.460 1.00 0.00 O ATOM 334 CB LEU A 23 4.815 1.443 -1.199 1.00 0.00 C ATOM 335 CG LEU A 23 4.655 2.181 0.134 1.00 0.00 C ATOM 336 CD1 LEU A 23 5.987 2.819 0.533 1.00 0.00 C ATOM 337 CD2 LEU A 23 3.591 3.272 -0.012 1.00 0.00 C ATOM 0 H LEU A 23 4.473 -0.036 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 23 4.655 -0.529 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.872 1.324 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.370 2.025 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 23 4.349 1.473 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.870 3.343 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.745 2.043 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.297 3.526 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.476 3.798 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.897 3.978 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.640 2.818 -0.292 1.00 0.00 H new ATOM 348 N MET A 24 1.867 0.791 -1.585 1.00 0.00 N ATOM 349 CA MET A 24 0.476 1.069 -1.240 1.00 0.00 C ATOM 350 C MET A 24 -0.122 -0.126 -0.509 1.00 0.00 C ATOM 351 O MET A 24 -0.655 0.032 0.587 1.00 0.00 O ATOM 352 CB MET A 24 -0.344 1.363 -2.501 1.00 0.00 C ATOM 353 CG MET A 24 -1.741 1.852 -2.109 1.00 0.00 C ATOM 354 SD MET A 24 -2.990 0.916 -3.026 1.00 0.00 S ATOM 355 CE MET A 24 -4.245 2.219 -3.107 1.00 0.00 C ATOM 0 H MET A 24 2.136 1.039 -2.537 1.00 0.00 H new ATOM 0 HA MET A 24 0.448 1.945 -0.592 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.159 2.118 -3.105 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.422 0.464 -3.113 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.893 1.728 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 24 -1.839 2.916 -2.324 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.120 1.849 -3.642 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.534 2.509 -2.097 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.838 3.084 -3.631 1.00 0.00 H new ATOM 363 N LEU A 25 -0.023 -1.322 -1.079 1.00 0.00 N ATOM 364 CA LEU A 25 -0.561 -2.501 -0.410 1.00 0.00 C ATOM 365 C LEU A 25 -0.009 -2.580 1.010 1.00 0.00 C ATOM 366 O LEU A 25 -0.693 -3.016 1.934 1.00 0.00 O ATOM 367 CB LEU A 25 -0.170 -3.768 -1.181 1.00 0.00 C ATOM 368 CG LEU A 25 -1.415 -4.444 -1.768 1.00 0.00 C ATOM 369 CD1 LEU A 25 -2.340 -4.898 -0.636 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.159 -3.458 -2.673 1.00 0.00 C ATOM 0 H LEU A 25 0.415 -1.500 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.648 -2.424 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.525 -3.514 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.348 -4.460 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.109 -5.311 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.223 -5.378 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.813 -5.606 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.644 -4.034 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.043 -3.941 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.461 -2.587 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.503 -3.143 -3.484 1.00 0.00 H new ATOM 381 N LEU A 26 1.238 -2.153 1.166 1.00 0.00 N ATOM 382 CA LEU A 26 1.884 -2.173 2.473 1.00 0.00 C ATOM 383 C LEU A 26 1.069 -1.361 3.476 1.00 0.00 C ATOM 384 O LEU A 26 0.773 -1.833 4.573 1.00 0.00 O ATOM 385 CB LEU A 26 3.300 -1.608 2.371 1.00 0.00 C ATOM 386 CG LEU A 26 4.215 -2.343 3.351 1.00 0.00 C ATOM 387 CD1 LEU A 26 5.623 -1.749 3.281 1.00 0.00 C ATOM 388 CD2 LEU A 26 3.669 -2.190 4.772 1.00 0.00 C ATOM 0 H LEU A 26 1.819 -1.791 0.410 1.00 0.00 H new ATOM 0 HA LEU A 26 1.941 -3.205 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.675 -1.720 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.294 -0.541 2.593 1.00 0.00 H new ATOM 0 HG LEU A 26 4.253 -3.400 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.274 -2.274 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.014 -1.858 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.585 -0.692 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.321 -2.714 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.630 -1.133 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.666 -2.614 4.824 1.00 0.00 H new ATOM 399 N ILE A 27 0.677 -0.155 3.079 1.00 0.00 N ATOM 400 CA ILE A 27 -0.142 0.690 3.940 1.00 0.00 C ATOM 401 C ILE A 27 -1.571 0.157 3.937 1.00 0.00 C ATOM 402 O ILE A 27 -2.177 -0.074 4.983 1.00 0.00 O ATOM 403 CB ILE A 27 -0.125 2.136 3.441 1.00 0.00 C ATOM 404 CG1 ILE A 27 1.308 2.529 3.063 1.00 0.00 C ATOM 405 CG2 ILE A 27 -0.631 3.064 4.547 1.00 0.00 C ATOM 406 CD1 ILE A 27 2.260 2.147 4.198 1.00 0.00 C ATOM 0 H ILE A 27 0.910 0.256 2.175 1.00 0.00 H new ATOM 0 HA ILE A 27 0.260 0.672 4.953 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.770 2.226 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.603 2.026 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.364 3.601 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.619 4.094 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.649 2.786 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.014 2.974 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.278 2.427 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.969 2.670 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.212 1.071 4.367 1.00 0.00 H new ATOM 417 N LEU A 28 -2.092 -0.017 2.731 1.00 0.00 N ATOM 418 CA LEU A 28 -3.453 -0.512 2.572 1.00 0.00 C ATOM 419 C LEU A 28 -3.651 -1.690 3.521 1.00 0.00 C ATOM 420 O LEU A 28 -4.668 -1.778 4.207 1.00 0.00 O ATOM 421 CB LEU A 28 -3.712 -0.949 1.123 1.00 0.00 C ATOM 422 CG LEU A 28 -4.995 -0.295 0.610 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.254 -0.748 -0.829 1.00 0.00 C ATOM 424 CD2 LEU A 28 -6.170 -0.713 1.496 1.00 0.00 C ATOM 0 H LEU A 28 -1.601 0.174 1.858 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.159 0.284 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.870 -0.666 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.799 -2.034 1.070 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.888 0.789 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.168 -0.283 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.416 -0.451 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.362 -1.832 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.085 -0.247 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.279 -1.797 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.984 -0.393 2.521 1.00 0.00 H new ATOM 435 N ALA A 29 -2.676 -2.597 3.560 1.00 0.00 N ATOM 436 CA ALA A 29 -2.759 -3.762 4.433 1.00 0.00 C ATOM 437 C ALA A 29 -2.752 -3.349 5.907 1.00 0.00 C ATOM 438 O ALA A 29 -3.408 -3.981 6.734 1.00 0.00 O ATOM 439 CB ALA A 29 -1.584 -4.703 4.159 1.00 0.00 C ATOM 0 H ALA A 29 -1.825 -2.547 3.000 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.697 -4.275 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.652 -5.571 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.614 -5.030 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.647 -4.179 4.347 1.00 0.00 H new ATOM 445 N LEU A 30 -2.008 -2.292 6.236 1.00 0.00 N ATOM 446 CA LEU A 30 -1.946 -1.833 7.625 1.00 0.00 C ATOM 447 C LEU A 30 -3.355 -1.664 8.180 1.00 0.00 C ATOM 448 O LEU A 30 -3.654 -2.112 9.281 1.00 0.00 O ATOM 449 CB LEU A 30 -1.190 -0.506 7.723 1.00 0.00 C ATOM 450 CG LEU A 30 -0.146 -0.587 8.841 1.00 0.00 C ATOM 451 CD1 LEU A 30 0.995 -1.516 8.416 1.00 0.00 C ATOM 452 CD2 LEU A 30 0.417 0.809 9.116 1.00 0.00 C ATOM 0 H LEU A 30 -1.451 -1.748 5.577 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.413 -2.582 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.703 -0.283 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.888 0.307 7.922 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.616 -0.978 9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.736 -1.571 9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.599 -2.512 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.464 -1.127 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.160 0.751 9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.884 1.198 8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.391 1.474 9.422 1.00 0.00 H new ATOM 463 N TRP A 31 -4.216 -1.014 7.408 1.00 0.00 N ATOM 464 CA TRP A 31 -5.599 -0.788 7.827 1.00 0.00 C ATOM 465 C TRP A 31 -6.220 -2.089 8.331 1.00 0.00 C ATOM 466 O TRP A 31 -7.050 -2.084 9.238 1.00 0.00 O ATOM 467 CB TRP A 31 -6.424 -0.247 6.656 1.00 0.00 C ATOM 468 CG TRP A 31 -6.393 1.249 6.666 1.00 0.00 C ATOM 469 CD1 TRP A 31 -5.271 2.003 6.680 1.00 0.00 C ATOM 470 CD2 TRP A 31 -7.514 2.180 6.660 1.00 0.00 C ATOM 471 NE1 TRP A 31 -5.632 3.339 6.683 1.00 0.00 N ATOM 472 CE2 TRP A 31 -7.003 3.500 6.671 1.00 0.00 C ATOM 473 CE3 TRP A 31 -8.909 2.009 6.647 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -7.847 4.611 6.668 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -9.763 3.126 6.644 1.00 0.00 C ATOM 476 CH2 TRP A 31 -9.231 4.424 6.654 1.00 0.00 C ATOM 0 H TRP A 31 -3.985 -0.634 6.490 1.00 0.00 H new ATOM 0 HA TRP A 31 -5.599 -0.056 8.635 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.025 -0.622 5.714 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.453 -0.600 6.730 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.259 1.625 6.688 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.966 4.111 6.693 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.328 1.013 6.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.433 5.608 6.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -10.834 2.984 6.634 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -9.891 5.278 6.651 1.00 0.00 H new ATOM 486 N LYS A 32 -5.788 -3.196 7.747 1.00 0.00 N ATOM 487 CA LYS A 32 -6.278 -4.508 8.148 1.00 0.00 C ATOM 488 C LYS A 32 -5.658 -4.900 9.486 1.00 0.00 C ATOM 489 O LYS A 32 -6.340 -5.401 10.379 1.00 0.00 O ATOM 490 CB LYS A 32 -5.919 -5.551 7.086 1.00 0.00 C ATOM 491 CG LYS A 32 -7.191 -6.254 6.608 1.00 0.00 C ATOM 492 CD LYS A 32 -6.841 -7.242 5.492 1.00 0.00 C ATOM 493 CE LYS A 32 -6.984 -6.554 4.133 1.00 0.00 C ATOM 494 NZ LYS A 32 -6.364 -7.403 3.077 1.00 0.00 N ATOM 0 H LYS A 32 -5.100 -3.213 6.994 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.362 -4.466 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.418 -5.071 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.221 -6.280 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.663 -6.779 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.911 -5.520 6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.822 -7.606 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.498 -8.110 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.037 -6.386 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.503 -5.576 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.462 -6.935 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.356 -7.541 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.842 -8.326 3.049 1.00 0.00 H new ATOM 504 N ILE A 33 -4.356 -4.664 9.612 1.00 0.00 N ATOM 505 CA ILE A 33 -3.637 -4.991 10.842 1.00 0.00 C ATOM 506 C ILE A 33 -3.628 -3.799 11.796 1.00 0.00 C ATOM 507 O ILE A 33 -2.974 -3.833 12.838 1.00 0.00 O ATOM 508 CB ILE A 33 -2.200 -5.395 10.513 1.00 0.00 C ATOM 509 CG1 ILE A 33 -2.216 -6.629 9.610 1.00 0.00 C ATOM 510 CG2 ILE A 33 -1.450 -5.722 11.806 1.00 0.00 C ATOM 511 CD1 ILE A 33 -1.165 -6.470 8.512 1.00 0.00 C ATOM 0 H ILE A 33 -3.778 -4.249 8.881 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.147 -5.823 11.327 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.699 -4.573 10.002 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.012 -7.525 10.197 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.204 -6.756 9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.426 -6.010 11.570 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.440 -4.845 12.453 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.949 -6.545 12.318 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.176 -7.349 7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.389 -5.583 7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.179 -6.364 8.965 1.00 0.00 H new ATOM 522 N GLY A 34 -4.356 -2.749 11.430 1.00 0.00 N ATOM 523 CA GLY A 34 -4.432 -1.545 12.249 1.00 0.00 C ATOM 524 C GLY A 34 -5.850 -1.342 12.763 1.00 0.00 C ATOM 525 O GLY A 34 -6.085 -1.322 13.970 1.00 0.00 O ATOM 0 H GLY A 34 -4.903 -2.708 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.742 -1.625 13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.123 -0.679 11.664 1.00 0.00 H new ATOM 529 N PHE A 35 -6.793 -1.202 11.839 1.00 0.00 N ATOM 530 CA PHE A 35 -8.185 -1.017 12.219 1.00 0.00 C ATOM 531 C PHE A 35 -8.633 -2.174 13.103 1.00 0.00 C ATOM 532 O PHE A 35 -9.588 -2.053 13.870 1.00 0.00 O ATOM 533 CB PHE A 35 -9.068 -0.949 10.972 1.00 0.00 C ATOM 534 CG PHE A 35 -10.486 -0.627 11.376 1.00 0.00 C ATOM 535 CD1 PHE A 35 -10.802 0.652 11.851 1.00 0.00 C ATOM 536 CD2 PHE A 35 -11.483 -1.605 11.277 1.00 0.00 C ATOM 537 CE1 PHE A 35 -12.118 0.952 12.225 1.00 0.00 C ATOM 538 CE2 PHE A 35 -12.797 -1.304 11.650 1.00 0.00 C ATOM 539 CZ PHE A 35 -13.116 -0.026 12.125 1.00 0.00 C ATOM 0 H PHE A 35 -6.621 -1.213 10.834 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.280 -0.081 12.770 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.692 -0.188 10.288 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -9.037 -1.900 10.439 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -10.032 1.406 11.929 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.237 -2.592 10.913 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -12.364 1.938 12.591 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.566 -2.058 11.572 1.00 0.00 H new ATOM 0 HZ PHE A 35 -14.131 0.206 12.414 1.00 0.00 H new ATOM 548 N PHE A 36 -7.931 -3.297 12.985 1.00 0.00 N ATOM 549 CA PHE A 36 -8.257 -4.482 13.776 1.00 0.00 C ATOM 550 C PHE A 36 -7.463 -4.502 15.083 1.00 0.00 C ATOM 551 O PHE A 36 -7.527 -5.472 15.838 1.00 0.00 O ATOM 552 CB PHE A 36 -7.950 -5.745 12.973 1.00 0.00 C ATOM 553 CG PHE A 36 -8.875 -6.859 13.403 1.00 0.00 C ATOM 554 CD1 PHE A 36 -10.201 -6.882 12.953 1.00 0.00 C ATOM 555 CD2 PHE A 36 -8.406 -7.872 14.248 1.00 0.00 C ATOM 556 CE1 PHE A 36 -11.058 -7.916 13.347 1.00 0.00 C ATOM 557 CE2 PHE A 36 -9.262 -8.907 14.642 1.00 0.00 C ATOM 558 CZ PHE A 36 -10.588 -8.930 14.191 1.00 0.00 C ATOM 0 H PHE A 36 -7.138 -3.413 12.354 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.320 -4.449 14.015 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.072 -5.549 11.908 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.912 -6.042 13.126 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.563 -6.101 12.301 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.384 -7.855 14.596 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.081 -7.932 13.001 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.900 -9.688 15.294 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.248 -9.730 14.494 1.00 0.00 H new ATOM 567 N LYS A 37 -6.718 -3.431 15.341 1.00 0.00 N ATOM 568 CA LYS A 37 -5.916 -3.341 16.560 1.00 0.00 C ATOM 569 C LYS A 37 -6.555 -2.376 17.556 1.00 0.00 C ATOM 570 O LYS A 37 -5.975 -2.082 18.601 1.00 0.00 O ATOM 571 CB LYS A 37 -4.503 -2.859 16.225 1.00 0.00 C ATOM 572 CG LYS A 37 -3.527 -3.340 17.304 1.00 0.00 C ATOM 573 CD LYS A 37 -2.919 -4.679 16.884 1.00 0.00 C ATOM 574 CE LYS A 37 -2.409 -5.418 18.123 1.00 0.00 C ATOM 575 NZ LYS A 37 -1.444 -6.477 17.710 1.00 0.00 N ATOM 0 H LYS A 37 -6.652 -2.618 14.728 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.867 -4.333 17.009 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.200 -3.240 15.250 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.484 -1.771 16.162 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.739 -2.601 17.452 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.046 -3.447 18.257 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.665 -5.284 16.368 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.101 -4.515 16.183 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.926 -4.717 18.804 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.244 -5.863 18.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.098 -6.979 18.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.919 -7.151 17.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.641 -6.041 17.213 1.00 0.00 H new ATOM 585 N ARG A 38 -7.749 -1.893 17.226 1.00 0.00 N ATOM 586 CA ARG A 38 -8.459 -0.972 18.092 1.00 0.00 C ATOM 587 C ARG A 38 -7.493 0.029 18.728 1.00 0.00 C ATOM 588 O ARG A 38 -7.182 -0.059 19.915 1.00 0.00 O ATOM 589 CB ARG A 38 -9.193 -1.756 19.179 1.00 0.00 C ATOM 590 CG ARG A 38 -9.775 -3.052 18.600 1.00 0.00 C ATOM 591 CD ARG A 38 -10.483 -3.830 19.712 1.00 0.00 C ATOM 592 NE ARG A 38 -11.881 -4.054 19.367 1.00 0.00 N ATOM 593 CZ ARG A 38 -12.228 -4.868 18.376 1.00 0.00 C ATOM 594 NH1 ARG A 38 -11.308 -5.463 17.668 1.00 0.00 N ATOM 595 NH2 ARG A 38 -13.490 -5.073 18.111 1.00 0.00 N ATOM 0 H ARG A 38 -8.241 -2.127 16.364 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.181 -0.415 17.495 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.508 -1.989 19.994 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.993 -1.146 19.599 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.476 -2.823 17.798 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.981 -3.659 18.165 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.984 -4.786 19.870 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.418 -3.277 20.649 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.609 -3.576 19.898 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.322 -5.303 17.875 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.575 -6.088 16.907 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.209 -4.608 18.665 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.756 -5.698 17.350 1.00 0.00 H new ATOM 606 N PRO A 39 -7.017 0.968 17.954 1.00 0.00 N ATOM 607 CA PRO A 39 -6.061 2.009 18.438 1.00 0.00 C ATOM 608 C PRO A 39 -6.659 2.869 19.547 1.00 0.00 C ATOM 609 O PRO A 39 -7.543 2.428 20.284 1.00 0.00 O ATOM 610 CB PRO A 39 -5.764 2.858 17.194 1.00 0.00 C ATOM 611 CG PRO A 39 -6.232 2.059 16.023 1.00 0.00 C ATOM 612 CD PRO A 39 -7.338 1.140 16.533 1.00 0.00 C ATOM 0 HA PRO A 39 -5.167 1.561 18.872 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.282 3.816 17.244 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.699 3.075 17.116 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.604 2.711 15.233 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.413 1.479 15.598 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.324 1.585 16.396 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.342 0.187 16.005 1.00 0.00 H new ATOM 617 N LEU A 40 -6.171 4.101 19.657 1.00 0.00 N ATOM 618 CA LEU A 40 -6.662 5.022 20.674 1.00 0.00 C ATOM 619 C LEU A 40 -6.880 4.292 21.998 1.00 0.00 C ATOM 620 O LEU A 40 -7.968 4.335 22.574 1.00 0.00 O ATOM 621 CB LEU A 40 -7.972 5.657 20.210 1.00 0.00 C ATOM 622 CG LEU A 40 -7.671 6.785 19.221 1.00 0.00 C ATOM 623 CD1 LEU A 40 -8.843 6.943 18.252 1.00 0.00 C ATOM 624 CD2 LEU A 40 -7.463 8.094 19.987 1.00 0.00 C ATOM 0 H LEU A 40 -5.440 4.482 19.057 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.916 5.803 20.826 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.606 4.906 19.739 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.523 6.047 21.066 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.768 6.543 18.661 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.627 7.747 17.548 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.991 6.012 17.705 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.747 7.183 18.811 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.249 8.898 19.283 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.366 8.335 20.548 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.626 7.983 20.677 1.00 0.00 H new ATOM 635 N LYS A 41 -5.833 3.614 22.457 1.00 0.00 N ATOM 636 CA LYS A 41 -5.884 2.853 23.704 1.00 0.00 C ATOM 637 C LYS A 41 -6.800 3.505 24.742 1.00 0.00 C ATOM 638 O LYS A 41 -7.400 2.810 25.563 1.00 0.00 O ATOM 639 CB LYS A 41 -4.472 2.732 24.278 1.00 0.00 C ATOM 640 CG LYS A 41 -4.441 1.655 25.367 1.00 0.00 C ATOM 641 CD LYS A 41 -3.404 2.036 26.425 1.00 0.00 C ATOM 642 CE LYS A 41 -3.141 0.840 27.342 1.00 0.00 C ATOM 643 NZ LYS A 41 -2.673 1.328 28.670 1.00 0.00 N ATOM 0 H LYS A 41 -4.932 3.575 21.981 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.292 1.868 23.476 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.768 2.480 23.485 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.155 3.689 24.692 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.425 1.556 25.825 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.194 0.687 24.931 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.477 2.349 25.944 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.761 2.884 27.010 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.050 0.250 27.459 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.391 0.185 26.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.494 0.516 29.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.795 1.873 28.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.403 1.936 29.093 1.00 0.00 H new ATOM 653 N LYS A 42 -6.897 4.836 24.714 1.00 0.00 N ATOM 654 CA LYS A 42 -7.737 5.551 25.679 1.00 0.00 C ATOM 655 C LYS A 42 -8.782 6.425 24.989 1.00 0.00 C ATOM 656 O LYS A 42 -8.557 7.616 24.768 1.00 0.00 O ATOM 657 CB LYS A 42 -6.862 6.424 26.581 1.00 0.00 C ATOM 658 CG LYS A 42 -7.638 6.777 27.853 1.00 0.00 C ATOM 659 CD LYS A 42 -7.119 8.100 28.418 1.00 0.00 C ATOM 660 CE LYS A 42 -7.907 9.261 27.810 1.00 0.00 C ATOM 661 NZ LYS A 42 -7.082 10.501 27.856 1.00 0.00 N ATOM 0 H LYS A 42 -6.412 5.434 24.044 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.263 4.804 26.273 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.943 5.896 26.837 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.571 7.333 26.055 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.702 6.857 27.632 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.525 5.984 28.592 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.219 8.108 29.503 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.058 8.211 28.195 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.178 9.030 26.780 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.837 9.410 28.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.618 11.290 27.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.845 10.724 28.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.206 10.356 27.314 1.00 0.00 H new ATOM 671 N LYS A 43 -9.931 5.822 24.682 1.00 0.00 N ATOM 672 CA LYS A 43 -11.038 6.534 24.038 1.00 0.00 C ATOM 673 C LYS A 43 -10.537 7.631 23.102 1.00 0.00 C ATOM 674 O LYS A 43 -9.425 7.560 22.582 1.00 0.00 O ATOM 675 CB LYS A 43 -11.941 7.154 25.105 1.00 0.00 C ATOM 676 CG LYS A 43 -12.237 6.120 26.192 1.00 0.00 C ATOM 677 CD LYS A 43 -13.736 6.112 26.492 1.00 0.00 C ATOM 678 CE LYS A 43 -14.035 5.089 27.588 1.00 0.00 C ATOM 679 NZ LYS A 43 -14.933 4.031 27.050 1.00 0.00 N ATOM 0 H LYS A 43 -10.121 4.838 24.870 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.597 5.811 23.444 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.457 8.027 25.542 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.871 7.498 24.653 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.915 5.131 25.866 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.675 6.356 27.096 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.059 7.104 26.809 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.296 5.867 25.590 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.107 4.644 27.948 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.505 5.580 28.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.136 3.335 27.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.823 4.462 26.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.469 3.555 26.250 1.00 0.00 H new ATOM 689 N MET A 44 -11.370 8.646 22.897 1.00 0.00 N ATOM 690 CA MET A 44 -11.008 9.757 22.025 1.00 0.00 C ATOM 691 C MET A 44 -10.439 10.914 22.844 1.00 0.00 C ATOM 692 O MET A 44 -9.257 10.921 23.187 1.00 0.00 O ATOM 693 CB MET A 44 -12.238 10.232 21.248 1.00 0.00 C ATOM 694 CG MET A 44 -12.634 9.176 20.212 1.00 0.00 C ATOM 695 SD MET A 44 -13.180 7.672 21.058 1.00 0.00 S ATOM 696 CE MET A 44 -14.790 7.526 20.245 1.00 0.00 C ATOM 0 H MET A 44 -12.295 8.722 23.320 1.00 0.00 H new ATOM 0 HA MET A 44 -10.247 9.415 21.323 1.00 0.00 H new ATOM 0 HB2 MET A 44 -13.066 10.411 21.934 1.00 0.00 H new ATOM 0 HB3 MET A 44 -12.024 11.179 20.753 1.00 0.00 H new ATOM 0 HG2 MET A 44 -13.432 9.558 19.575 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.787 8.953 19.563 1.00 0.00 H new ATOM 0 HE1 MET A 44 -15.311 6.647 20.624 1.00 0.00 H new ATOM 0 HE2 MET A 44 -15.384 8.416 20.452 1.00 0.00 H new ATOM 0 HE3 MET A 44 -14.647 7.427 19.169 1.00 0.00 H new ATOM 704 N GLU A 45 -11.290 11.887 23.156 1.00 0.00 N ATOM 705 CA GLU A 45 -10.861 13.043 23.937 1.00 0.00 C ATOM 706 C GLU A 45 -12.069 13.774 24.517 1.00 0.00 C ATOM 707 O GLU A 45 -11.950 14.897 25.007 1.00 0.00 O ATOM 708 CB GLU A 45 -10.053 14.000 23.057 1.00 0.00 C ATOM 709 CG GLU A 45 -10.965 14.602 21.987 1.00 0.00 C ATOM 710 CD GLU A 45 -10.128 15.289 20.911 1.00 0.00 C ATOM 711 OE1 GLU A 45 -9.726 14.611 19.979 1.00 0.00 O ATOM 712 OE2 GLU A 45 -9.910 16.482 21.031 1.00 0.00 O ATOM 0 H GLU A 45 -12.273 11.899 22.883 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.235 12.692 24.757 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.618 14.792 23.667 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.225 13.468 22.587 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.578 13.820 21.538 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.647 15.320 22.442 1.00 0.00 H new ATOM 717 N LYS A 46 -13.231 13.130 24.456 1.00 0.00 N ATOM 718 CA LYS A 46 -14.455 13.728 24.976 1.00 0.00 C ATOM 719 C LYS A 46 -15.516 12.659 25.219 1.00 0.00 C ATOM 720 O LYS A 46 -15.918 12.024 24.260 1.00 0.00 O ATOM 721 CB LYS A 46 -14.993 14.767 23.989 1.00 0.00 C ATOM 722 CG LYS A 46 -16.464 15.054 24.300 1.00 0.00 C ATOM 723 CD LYS A 46 -16.857 16.409 23.704 1.00 0.00 C ATOM 724 CE LYS A 46 -18.325 16.372 23.275 1.00 0.00 C ATOM 725 NZ LYS A 46 -18.826 17.765 23.100 1.00 0.00 N ATOM 0 H LYS A 46 -13.350 12.200 24.054 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.222 14.214 25.923 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.410 15.685 24.058 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -14.891 14.401 22.968 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.094 14.266 23.887 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.625 15.059 25.378 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.702 17.200 24.438 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.223 16.639 22.848 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.429 15.817 22.343 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.921 15.851 24.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.824 17.741 22.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.740 18.280 23.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.264 18.247 22.370 1.00 0.00 H new TER 735 LYS A 46