USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 779 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 20 LYS NZ :NH3+ -108:sc= -6.68! (180deg=-0.977) USER MOD Set 1.2: A 83 ASN : amide:sc= -12.1! C(o=-19!,f=-18!) USER MOD Set 2.1: A 31 THR OG1 : rot -138:sc= -1.86! USER MOD Set 2.2: A 88 ASN : amide:sc= -5.3! C(o=-7.2!,f=-16!) USER MOD Set 3.1: A 18 GLN : amide:sc= 0.0834 K(o=0.17,f=-1.4) USER MOD Set 3.2: A 37 SER OG : rot 110:sc= 0.0867 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 19:sc= 1.03 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 146:sc= -0.323 (180deg=-1.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.0274 (180deg=-0.382) USER MOD Single : A 46 MET CE :methyl 142:sc= -0.15 (180deg=-1.12) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -3! C(o=-3!,f=-6.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.843 USER MOD Single : A 61 GLN : amide:sc= -0.736 X(o=-0.74,f=-0.61) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.00298) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.635 USER MOD Single : A 91 THR OG1 : rot 91:sc= 0.736 USER MOD Single : A 92 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 49.459 0.345 -22.830 1.00 0.00 N ATOM 2 CA PRO A 1 50.358 1.115 -21.936 1.00 0.00 C ATOM 3 C PRO A 1 49.802 1.098 -20.515 1.00 0.00 C ATOM 4 O PRO A 1 50.557 1.085 -19.544 1.00 0.00 O ATOM 5 CB PRO A 1 50.436 2.545 -22.458 1.00 0.00 C ATOM 6 CG PRO A 1 49.870 2.478 -23.839 1.00 0.00 C ATOM 7 CD PRO A 1 48.946 1.252 -23.895 1.00 0.00 C ATOM 0 H2 PRO A 1 48.683 -0.048 -22.297 1.00 0.00 H new ATOM 0 H3 PRO A 1 49.962 -0.439 -23.246 1.00 0.00 H new ATOM 0 HA PRO A 1 51.354 0.673 -21.921 1.00 0.00 H new ATOM 0 HB2 PRO A 1 49.865 3.228 -21.829 1.00 0.00 H new ATOM 0 HB3 PRO A 1 51.464 2.907 -22.469 1.00 0.00 H new ATOM 0 HG2 PRO A 1 49.316 3.388 -24.072 1.00 0.00 H new ATOM 0 HG3 PRO A 1 50.667 2.392 -24.577 1.00 0.00 H new ATOM 0 HD2 PRO A 1 47.908 1.530 -23.713 1.00 0.00 H new ATOM 0 HD3 PRO A 1 48.981 0.774 -24.874 1.00 0.00 H new ATOM 17 N GLN A 2 48.478 1.094 -20.403 1.00 0.00 N ATOM 18 CA GLN A 2 47.835 1.074 -19.095 1.00 0.00 C ATOM 19 C GLN A 2 48.271 -0.156 -18.307 1.00 0.00 C ATOM 20 O GLN A 2 48.419 -0.103 -17.086 1.00 0.00 O ATOM 21 CB GLN A 2 46.314 1.064 -19.260 1.00 0.00 C ATOM 22 CG GLN A 2 45.859 2.383 -19.888 1.00 0.00 C ATOM 23 CD GLN A 2 44.354 2.356 -20.128 1.00 0.00 C ATOM 24 OE1 GLN A 2 43.740 1.289 -20.101 1.00 0.00 O ATOM 25 NE2 GLN A 2 43.719 3.472 -20.363 1.00 0.00 N ATOM 0 H GLN A 2 47.835 1.104 -21.194 1.00 0.00 H new ATOM 0 HA GLN A 2 48.134 1.969 -18.549 1.00 0.00 H new ATOM 0 HB2 GLN A 2 46.011 0.226 -19.889 1.00 0.00 H new ATOM 0 HB3 GLN A 2 45.834 0.925 -18.291 1.00 0.00 H new ATOM 0 HG2 GLN A 2 46.116 3.215 -19.232 1.00 0.00 H new ATOM 0 HG3 GLN A 2 46.383 2.546 -20.830 1.00 0.00 H new ATOM 0 HE21 GLN A 2 44.230 4.355 -20.385 1.00 0.00 H new ATOM 0 HE22 GLN A 2 42.712 3.461 -20.525 1.00 0.00 H new ATOM 34 N ILE A 3 48.479 -1.262 -19.014 1.00 0.00 N ATOM 35 CA ILE A 3 48.904 -2.498 -18.369 1.00 0.00 C ATOM 36 C ILE A 3 50.232 -2.289 -17.649 1.00 0.00 C ATOM 37 O ILE A 3 50.468 -2.858 -16.583 1.00 0.00 O ATOM 38 CB ILE A 3 49.046 -3.611 -19.409 1.00 0.00 C ATOM 39 CG1 ILE A 3 47.692 -3.841 -20.088 1.00 0.00 C ATOM 40 CG2 ILE A 3 49.500 -4.899 -18.717 1.00 0.00 C ATOM 41 CD1 ILE A 3 47.851 -4.841 -21.234 1.00 0.00 C ATOM 0 H ILE A 3 48.361 -1.328 -20.025 1.00 0.00 H new ATOM 0 HA ILE A 3 48.149 -2.787 -17.638 1.00 0.00 H new ATOM 0 HB ILE A 3 49.785 -3.324 -20.157 1.00 0.00 H new ATOM 0 HG12 ILE A 3 46.970 -4.217 -19.363 1.00 0.00 H new ATOM 0 HG13 ILE A 3 47.300 -2.897 -20.468 1.00 0.00 H new ATOM 0 HG21 ILE A 3 49.602 -5.693 -19.457 1.00 0.00 H new ATOM 0 HG22 ILE A 3 50.461 -4.731 -18.230 1.00 0.00 H new ATOM 0 HG23 ILE A 3 48.761 -5.191 -17.971 1.00 0.00 H new ATOM 0 HD11 ILE A 3 46.885 -5.001 -21.714 1.00 0.00 H new ATOM 0 HD12 ILE A 3 48.558 -4.448 -21.964 1.00 0.00 H new ATOM 0 HD13 ILE A 3 48.223 -5.788 -20.842 1.00 0.00 H new ATOM 53 N THR A 4 51.094 -1.465 -18.237 1.00 0.00 N ATOM 54 CA THR A 4 52.396 -1.182 -17.642 1.00 0.00 C ATOM 55 C THR A 4 52.241 -0.271 -16.427 1.00 0.00 C ATOM 56 O THR A 4 51.486 0.701 -16.460 1.00 0.00 O ATOM 57 CB THR A 4 53.304 -0.507 -18.673 1.00 0.00 C ATOM 58 OG1 THR A 4 53.374 -1.313 -19.840 1.00 0.00 O ATOM 59 CG2 THR A 4 54.706 -0.333 -18.086 1.00 0.00 C ATOM 0 H THR A 4 50.916 -0.984 -19.119 1.00 0.00 H new ATOM 0 HA THR A 4 52.843 -2.124 -17.324 1.00 0.00 H new ATOM 0 HB THR A 4 52.897 0.471 -18.930 1.00 0.00 H new ATOM 0 HG1 THR A 4 53.954 -0.881 -20.502 1.00 0.00 H new ATOM 0 HG21 THR A 4 55.351 0.148 -18.821 1.00 0.00 H new ATOM 0 HG22 THR A 4 54.651 0.287 -17.191 1.00 0.00 H new ATOM 0 HG23 THR A 4 55.116 -1.309 -17.827 1.00 0.00 H new ATOM 67 N LEU A 5 52.959 -0.593 -15.358 1.00 0.00 N ATOM 68 CA LEU A 5 52.896 0.201 -14.136 1.00 0.00 C ATOM 69 C LEU A 5 54.168 1.023 -13.965 1.00 0.00 C ATOM 70 O LEU A 5 55.178 0.765 -14.620 1.00 0.00 O ATOM 71 CB LEU A 5 52.711 -0.715 -12.925 1.00 0.00 C ATOM 72 CG LEU A 5 53.557 -1.975 -13.108 1.00 0.00 C ATOM 73 CD1 LEU A 5 54.221 -2.340 -11.779 1.00 0.00 C ATOM 74 CD2 LEU A 5 52.660 -3.128 -13.562 1.00 0.00 C ATOM 0 H LEU A 5 53.589 -1.394 -15.312 1.00 0.00 H new ATOM 0 HA LEU A 5 52.046 0.879 -14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 5 53.006 -0.195 -12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 5 51.660 -0.982 -12.814 1.00 0.00 H new ATOM 0 HG LEU A 5 54.324 -1.792 -13.860 1.00 0.00 H new ATOM 0 HD11 LEU A 5 54.824 -3.238 -11.908 1.00 0.00 H new ATOM 0 HD12 LEU A 5 54.859 -1.518 -11.453 1.00 0.00 H new ATOM 0 HD13 LEU A 5 53.453 -2.524 -11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 5 53.262 -4.027 -13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 5 51.893 -3.311 -12.809 1.00 0.00 H new ATOM 0 HD23 LEU A 5 52.185 -2.869 -14.508 1.00 0.00 H new ATOM 86 N TRP A 6 54.115 2.013 -13.081 1.00 0.00 N ATOM 87 CA TRP A 6 55.272 2.866 -12.832 1.00 0.00 C ATOM 88 C TRP A 6 56.404 2.060 -12.205 1.00 0.00 C ATOM 89 O TRP A 6 56.272 1.543 -11.096 1.00 0.00 O ATOM 90 CB TRP A 6 54.880 4.012 -11.897 1.00 0.00 C ATOM 91 CG TRP A 6 56.059 4.902 -11.667 1.00 0.00 C ATOM 92 CD1 TRP A 6 56.848 4.874 -10.569 1.00 0.00 C ATOM 93 CD2 TRP A 6 56.592 5.951 -12.528 1.00 0.00 C ATOM 94 NE1 TRP A 6 57.834 5.836 -10.702 1.00 0.00 N ATOM 95 CE2 TRP A 6 57.717 6.527 -11.892 1.00 0.00 C ATOM 96 CE3 TRP A 6 56.211 6.453 -13.785 1.00 0.00 C ATOM 97 CZ2 TRP A 6 58.441 7.564 -12.483 1.00 0.00 C ATOM 98 CZ3 TRP A 6 56.937 7.497 -14.382 1.00 0.00 C ATOM 99 CH2 TRP A 6 58.049 8.051 -13.732 1.00 0.00 C ATOM 0 H TRP A 6 53.290 2.244 -12.528 1.00 0.00 H new ATOM 0 HA TRP A 6 55.615 3.273 -13.783 1.00 0.00 H new ATOM 0 HB2 TRP A 6 54.060 4.584 -12.331 1.00 0.00 H new ATOM 0 HB3 TRP A 6 54.523 3.613 -10.948 1.00 0.00 H new ATOM 0 HD1 TRP A 6 56.728 4.210 -9.726 1.00 0.00 H new ATOM 0 HE1 TRP A 6 58.559 6.013 -10.006 1.00 0.00 H new ATOM 0 HE3 TRP A 6 55.356 6.034 -14.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 59.297 7.986 -11.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 56.637 7.875 -15.348 1.00 0.00 H new ATOM 0 HH2 TRP A 6 58.602 8.854 -14.197 1.00 0.00 H new ATOM 110 N LYS A 7 57.518 1.957 -12.923 1.00 0.00 N ATOM 111 CA LYS A 7 58.669 1.212 -12.426 1.00 0.00 C ATOM 112 C LYS A 7 59.844 2.148 -12.169 1.00 0.00 C ATOM 113 O LYS A 7 60.036 3.131 -12.886 1.00 0.00 O ATOM 114 CB LYS A 7 59.086 0.145 -13.440 1.00 0.00 C ATOM 115 CG LYS A 7 57.964 -0.881 -13.604 1.00 0.00 C ATOM 116 CD LYS A 7 58.443 -2.012 -14.515 1.00 0.00 C ATOM 117 CE LYS A 7 57.291 -2.983 -14.782 1.00 0.00 C ATOM 118 NZ LYS A 7 57.463 -3.597 -16.129 1.00 0.00 N ATOM 0 H LYS A 7 57.648 2.376 -13.844 1.00 0.00 H new ATOM 0 HA LYS A 7 58.384 0.732 -11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 7 59.309 0.610 -14.400 1.00 0.00 H new ATOM 0 HB3 LYS A 7 59.998 -0.350 -13.106 1.00 0.00 H new ATOM 0 HG2 LYS A 7 57.675 -1.280 -12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 7 57.080 -0.406 -14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 7 58.812 -1.603 -15.456 1.00 0.00 H new ATOM 0 HD3 LYS A 7 59.275 -2.539 -14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 7 57.270 -3.759 -14.017 1.00 0.00 H new ATOM 0 HE3 LYS A 7 56.338 -2.457 -14.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 56.681 -4.257 -16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 57.463 -2.851 -16.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 58.366 -4.112 -16.163 1.00 0.00 H new ATOM 132 N ARG A 8 60.631 1.832 -11.148 1.00 0.00 N ATOM 133 CA ARG A 8 61.790 2.647 -10.811 1.00 0.00 C ATOM 134 C ARG A 8 62.871 2.488 -11.879 1.00 0.00 C ATOM 135 O ARG A 8 62.759 1.632 -12.757 1.00 0.00 O ATOM 136 CB ARG A 8 62.341 2.233 -9.445 1.00 0.00 C ATOM 137 CG ARG A 8 61.372 1.252 -8.782 1.00 0.00 C ATOM 138 CD ARG A 8 61.779 1.042 -7.322 1.00 0.00 C ATOM 139 NE ARG A 8 61.798 -0.382 -6.984 1.00 0.00 N ATOM 140 CZ ARG A 8 60.833 -1.215 -7.370 1.00 0.00 C ATOM 141 NH1 ARG A 8 59.788 -0.766 -8.010 1.00 0.00 N ATOM 142 NH2 ARG A 8 60.922 -2.485 -7.087 1.00 0.00 N ATOM 0 H ARG A 8 60.489 1.023 -10.543 1.00 0.00 H new ATOM 0 HA ARG A 8 61.486 3.693 -10.769 1.00 0.00 H new ATOM 0 HB2 ARG A 8 63.321 1.771 -9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 8 62.476 3.111 -8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 8 60.354 1.638 -8.835 1.00 0.00 H new ATOM 0 HG3 ARG A 8 61.380 0.300 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 8 62.765 1.474 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 8 61.083 1.566 -6.667 1.00 0.00 H new ATOM 0 HE ARG A 8 62.576 -0.748 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 8 59.706 0.229 -8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 8 59.053 -1.410 -8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 8 61.729 -2.837 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 8 60.185 -3.126 -7.381 1.00 0.00 H new ATOM 156 N PRO A 9 63.905 3.287 -11.828 1.00 0.00 N ATOM 157 CA PRO A 9 65.015 3.221 -12.825 1.00 0.00 C ATOM 158 C PRO A 9 65.549 1.801 -13.000 1.00 0.00 C ATOM 159 O PRO A 9 65.602 1.022 -12.049 1.00 0.00 O ATOM 160 CB PRO A 9 66.094 4.134 -12.240 1.00 0.00 C ATOM 161 CG PRO A 9 65.378 5.072 -11.326 1.00 0.00 C ATOM 162 CD PRO A 9 64.133 4.340 -10.824 1.00 0.00 C ATOM 0 HA PRO A 9 64.684 3.527 -13.817 1.00 0.00 H new ATOM 0 HB2 PRO A 9 66.844 3.557 -11.699 1.00 0.00 H new ATOM 0 HB3 PRO A 9 66.616 4.677 -13.028 1.00 0.00 H new ATOM 0 HG2 PRO A 9 66.018 5.362 -10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 9 65.103 5.987 -11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 9 64.292 3.917 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 9 63.278 5.012 -10.750 1.00 0.00 H new ATOM 170 N LEU A 10 65.949 1.477 -14.226 1.00 0.00 N ATOM 171 CA LEU A 10 66.485 0.155 -14.525 1.00 0.00 C ATOM 172 C LEU A 10 67.981 0.111 -14.232 1.00 0.00 C ATOM 173 O LEU A 10 68.659 1.137 -14.267 1.00 0.00 O ATOM 174 CB LEU A 10 66.240 -0.195 -15.995 1.00 0.00 C ATOM 175 CG LEU A 10 64.758 -0.517 -16.221 1.00 0.00 C ATOM 176 CD1 LEU A 10 64.400 -1.838 -15.532 1.00 0.00 C ATOM 177 CD2 LEU A 10 63.890 0.605 -15.645 1.00 0.00 C ATOM 0 H LEU A 10 65.912 2.110 -15.025 1.00 0.00 H new ATOM 0 HA LEU A 10 65.977 -0.574 -13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 10 66.540 0.639 -16.630 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.853 -1.050 -16.280 1.00 0.00 H new ATOM 0 HG LEU A 10 64.575 -0.606 -17.292 1.00 0.00 H new ATOM 0 HD11 LEU A 10 63.346 -2.060 -15.697 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.009 -2.641 -15.946 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.590 -1.753 -14.462 1.00 0.00 H new ATOM 0 HD21 LEU A 10 62.838 0.371 -15.808 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.079 0.699 -14.576 1.00 0.00 H new ATOM 0 HD23 LEU A 10 64.134 1.545 -16.141 1.00 0.00 H new ATOM 189 N VAL A 11 68.487 -1.082 -13.941 1.00 0.00 N ATOM 190 CA VAL A 11 69.905 -1.245 -13.639 1.00 0.00 C ATOM 191 C VAL A 11 70.659 -1.752 -14.864 1.00 0.00 C ATOM 192 O VAL A 11 70.191 -2.647 -15.567 1.00 0.00 O ATOM 193 CB VAL A 11 70.083 -2.235 -12.487 1.00 0.00 C ATOM 194 CG1 VAL A 11 71.569 -2.352 -12.139 1.00 0.00 C ATOM 195 CG2 VAL A 11 69.311 -1.736 -11.264 1.00 0.00 C ATOM 0 H VAL A 11 67.943 -1.944 -13.908 1.00 0.00 H new ATOM 0 HA VAL A 11 70.309 -0.274 -13.352 1.00 0.00 H new ATOM 0 HB VAL A 11 69.702 -3.212 -12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 11 71.696 -3.058 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.120 -2.706 -13.010 1.00 0.00 H new ATOM 0 HG13 VAL A 11 71.951 -1.376 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 11 69.437 -2.441 -10.442 1.00 0.00 H new ATOM 0 HG22 VAL A 11 69.693 -0.759 -10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 11 68.253 -1.652 -11.511 1.00 0.00 H new ATOM 205 N THR A 12 71.826 -1.170 -15.116 1.00 0.00 N ATOM 206 CA THR A 12 72.634 -1.567 -16.262 1.00 0.00 C ATOM 207 C THR A 12 74.069 -1.851 -15.835 1.00 0.00 C ATOM 208 O THR A 12 74.524 -1.376 -14.795 1.00 0.00 O ATOM 209 CB THR A 12 72.626 -0.455 -17.313 1.00 0.00 C ATOM 210 OG1 THR A 12 73.081 -0.977 -18.554 1.00 0.00 O ATOM 211 CG2 THR A 12 73.551 0.678 -16.864 1.00 0.00 C ATOM 0 H THR A 12 72.231 -0.427 -14.547 1.00 0.00 H new ATOM 0 HA THR A 12 72.207 -2.476 -16.686 1.00 0.00 H new ATOM 0 HB THR A 12 71.613 -0.070 -17.430 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.012 -1.955 -18.543 1.00 0.00 H new ATOM 0 HG21 THR A 12 73.546 1.470 -17.612 1.00 0.00 H new ATOM 0 HG22 THR A 12 73.202 1.076 -15.911 1.00 0.00 H new ATOM 0 HG23 THR A 12 74.565 0.295 -16.748 1.00 0.00 H new ATOM 219 N ILE A 13 74.775 -2.635 -16.643 1.00 0.00 N ATOM 220 CA ILE A 13 76.157 -2.983 -16.339 1.00 0.00 C ATOM 221 C ILE A 13 77.080 -2.594 -17.488 1.00 0.00 C ATOM 222 O ILE A 13 76.629 -2.374 -18.612 1.00 0.00 O ATOM 223 CB ILE A 13 76.266 -4.487 -16.068 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.942 -5.269 -17.346 1.00 0.00 C ATOM 225 CG2 ILE A 13 75.276 -4.879 -14.972 1.00 0.00 C ATOM 226 CD1 ILE A 13 76.062 -6.769 -17.068 1.00 0.00 C ATOM 0 H ILE A 13 74.415 -3.039 -17.508 1.00 0.00 H new ATOM 0 HA ILE A 13 76.464 -2.431 -15.451 1.00 0.00 H new ATOM 0 HB ILE A 13 77.281 -4.722 -15.748 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.934 -5.030 -17.686 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.625 -4.980 -18.145 1.00 0.00 H new ATOM 0 HG21 ILE A 13 75.353 -5.949 -14.778 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.506 -4.328 -14.060 1.00 0.00 H new ATOM 0 HG23 ILE A 13 74.263 -4.640 -15.295 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.832 -7.327 -17.976 1.00 0.00 H new ATOM 0 HD12 ILE A 13 77.078 -7.000 -16.748 1.00 0.00 H new ATOM 0 HD13 ILE A 13 75.361 -7.051 -16.282 1.00 0.00 H new ATOM 238 N LYS A 14 78.373 -2.515 -17.198 1.00 0.00 N ATOM 239 CA LYS A 14 79.351 -2.158 -18.218 1.00 0.00 C ATOM 240 C LYS A 14 80.545 -3.103 -18.174 1.00 0.00 C ATOM 241 O LYS A 14 81.189 -3.264 -17.136 1.00 0.00 O ATOM 242 CB LYS A 14 79.828 -0.719 -18.013 1.00 0.00 C ATOM 243 CG LYS A 14 80.841 -0.361 -19.103 1.00 0.00 C ATOM 244 CD LYS A 14 81.202 1.123 -19.003 1.00 0.00 C ATOM 245 CE LYS A 14 81.952 1.388 -17.692 1.00 0.00 C ATOM 246 NZ LYS A 14 83.045 2.370 -17.938 1.00 0.00 N ATOM 0 H LYS A 14 78.766 -2.692 -16.274 1.00 0.00 H new ATOM 0 HA LYS A 14 78.871 -2.243 -19.193 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.981 -0.034 -18.049 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.283 -0.611 -17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 14 81.737 -0.972 -18.995 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.424 -0.578 -20.086 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.821 1.414 -19.852 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.298 1.730 -19.044 1.00 0.00 H new ATOM 0 HE2 LYS A 14 81.265 1.773 -16.938 1.00 0.00 H new ATOM 0 HE3 LYS A 14 82.365 0.458 -17.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 83.555 2.551 -17.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 83.705 1.985 -18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 82.639 3.260 -18.292 1.00 0.00 H new ATOM 260 N ILE A 15 80.842 -3.716 -19.315 1.00 0.00 N ATOM 261 CA ILE A 15 81.968 -4.632 -19.410 1.00 0.00 C ATOM 262 C ILE A 15 82.626 -4.523 -20.782 1.00 0.00 C ATOM 263 O ILE A 15 81.944 -4.398 -21.798 1.00 0.00 O ATOM 264 CB ILE A 15 81.501 -6.070 -19.165 1.00 0.00 C ATOM 265 CG1 ILE A 15 80.553 -6.508 -20.287 1.00 0.00 C ATOM 266 CG2 ILE A 15 80.767 -6.143 -17.826 1.00 0.00 C ATOM 267 CD1 ILE A 15 80.113 -7.953 -20.043 1.00 0.00 C ATOM 0 H ILE A 15 80.320 -3.595 -20.183 1.00 0.00 H new ATOM 0 HA ILE A 15 82.700 -4.363 -18.648 1.00 0.00 H new ATOM 0 HB ILE A 15 82.368 -6.731 -19.147 1.00 0.00 H new ATOM 0 HG12 ILE A 15 79.683 -5.852 -20.321 1.00 0.00 H new ATOM 0 HG13 ILE A 15 81.052 -6.426 -21.253 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.433 -7.166 -17.649 1.00 0.00 H new ATOM 0 HG22 ILE A 15 81.440 -5.837 -17.025 1.00 0.00 H new ATOM 0 HG23 ILE A 15 79.903 -5.478 -17.848 1.00 0.00 H new ATOM 0 HD11 ILE A 15 79.439 -8.267 -20.839 1.00 0.00 H new ATOM 0 HD12 ILE A 15 80.988 -8.603 -20.031 1.00 0.00 H new ATOM 0 HD13 ILE A 15 79.598 -8.020 -19.084 1.00 0.00 H new ATOM 279 N GLY A 16 83.951 -4.577 -20.804 1.00 0.00 N ATOM 280 CA GLY A 16 84.688 -4.492 -22.060 1.00 0.00 C ATOM 281 C GLY A 16 84.172 -3.353 -22.938 1.00 0.00 C ATOM 282 O GLY A 16 84.091 -3.492 -24.157 1.00 0.00 O ATOM 0 H GLY A 16 84.535 -4.678 -19.974 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.747 -4.341 -21.852 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.601 -5.436 -22.598 1.00 0.00 H new ATOM 286 N GLY A 17 83.844 -2.221 -22.320 1.00 0.00 N ATOM 287 CA GLY A 17 83.363 -1.062 -23.072 1.00 0.00 C ATOM 288 C GLY A 17 81.978 -1.299 -23.668 1.00 0.00 C ATOM 289 O GLY A 17 81.495 -0.493 -24.462 1.00 0.00 O ATOM 0 H GLY A 17 83.901 -2.080 -21.311 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.331 -0.192 -22.416 1.00 0.00 H new ATOM 0 HA3 GLY A 17 84.067 -0.832 -23.872 1.00 0.00 H new ATOM 293 N GLN A 18 81.344 -2.406 -23.296 1.00 0.00 N ATOM 294 CA GLN A 18 80.018 -2.720 -23.824 1.00 0.00 C ATOM 295 C GLN A 18 78.925 -2.396 -22.808 1.00 0.00 C ATOM 296 O GLN A 18 79.081 -2.642 -21.613 1.00 0.00 O ATOM 297 CB GLN A 18 79.944 -4.202 -24.195 1.00 0.00 C ATOM 298 CG GLN A 18 80.932 -4.498 -25.325 1.00 0.00 C ATOM 299 CD GLN A 18 80.897 -5.982 -25.671 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.409 -6.794 -24.883 1.00 0.00 O ATOM 301 NE2 GLN A 18 81.386 -6.389 -26.810 1.00 0.00 N ATOM 0 H GLN A 18 81.718 -3.093 -22.641 1.00 0.00 H new ATOM 0 HA GLN A 18 79.856 -2.107 -24.711 1.00 0.00 H new ATOM 0 HB2 GLN A 18 80.176 -4.817 -23.325 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.932 -4.459 -24.507 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.680 -3.905 -26.204 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.939 -4.210 -25.024 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.790 -5.716 -27.461 1.00 0.00 H new ATOM 0 HE22 GLN A 18 81.365 -7.380 -27.049 1.00 0.00 H new ATOM 310 N LEU A 19 77.813 -1.850 -23.300 1.00 0.00 N ATOM 311 CA LEU A 19 76.692 -1.504 -22.431 1.00 0.00 C ATOM 312 C LEU A 19 75.580 -2.541 -22.568 1.00 0.00 C ATOM 313 O LEU A 19 75.125 -2.830 -23.674 1.00 0.00 O ATOM 314 CB LEU A 19 76.144 -0.123 -22.807 1.00 0.00 C ATOM 315 CG LEU A 19 77.280 0.901 -22.809 1.00 0.00 C ATOM 316 CD1 LEU A 19 76.713 2.301 -23.054 1.00 0.00 C ATOM 317 CD2 LEU A 19 77.994 0.873 -21.458 1.00 0.00 C ATOM 0 H LEU A 19 77.666 -1.640 -24.287 1.00 0.00 H new ATOM 0 HA LEU A 19 77.045 -1.487 -21.400 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.676 -0.163 -23.791 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.372 0.178 -22.098 1.00 0.00 H new ATOM 0 HG LEU A 19 77.986 0.653 -23.601 1.00 0.00 H new ATOM 0 HD11 LEU A 19 77.525 3.028 -23.055 1.00 0.00 H new ATOM 0 HD12 LEU A 19 76.205 2.324 -24.018 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.004 2.550 -22.264 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.804 1.603 -21.459 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.285 1.118 -20.667 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.403 -0.122 -21.283 1.00 0.00 H new ATOM 329 N LYS A 20 75.147 -3.096 -21.442 1.00 0.00 N ATOM 330 CA LYS A 20 74.087 -4.100 -21.457 1.00 0.00 C ATOM 331 C LYS A 20 73.129 -3.895 -20.287 1.00 0.00 C ATOM 332 O LYS A 20 73.462 -3.224 -19.309 1.00 0.00 O ATOM 333 CB LYS A 20 74.689 -5.504 -21.386 1.00 0.00 C ATOM 334 CG LYS A 20 75.643 -5.712 -22.562 1.00 0.00 C ATOM 335 CD LYS A 20 76.006 -7.194 -22.666 1.00 0.00 C ATOM 336 CE LYS A 20 76.717 -7.638 -21.387 1.00 0.00 C ATOM 337 NZ LYS A 20 75.733 -8.280 -20.471 1.00 0.00 N ATOM 0 H LYS A 20 75.509 -2.872 -20.515 1.00 0.00 H new ATOM 0 HA LYS A 20 73.531 -3.991 -22.388 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.222 -5.635 -20.444 1.00 0.00 H new ATOM 0 HB3 LYS A 20 73.897 -6.252 -21.410 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.176 -5.375 -23.487 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.544 -5.114 -22.424 1.00 0.00 H new ATOM 0 HD2 LYS A 20 75.106 -7.789 -22.819 1.00 0.00 H new ATOM 0 HD3 LYS A 20 76.650 -7.362 -23.529 1.00 0.00 H new ATOM 0 HE2 LYS A 20 77.517 -8.338 -21.627 1.00 0.00 H new ATOM 0 HE3 LYS A 20 77.179 -6.780 -20.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 75.544 -7.648 -19.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 74.847 -8.461 -20.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 76.120 -9.179 -20.121 1.00 0.00 H new ATOM 351 N GLU A 21 71.943 -4.487 -20.389 1.00 0.00 N ATOM 352 CA GLU A 21 70.949 -4.377 -19.327 1.00 0.00 C ATOM 353 C GLU A 21 70.820 -5.712 -18.600 1.00 0.00 C ATOM 354 O GLU A 21 71.088 -6.767 -19.176 1.00 0.00 O ATOM 355 CB GLU A 21 69.594 -3.980 -19.917 1.00 0.00 C ATOM 356 CG GLU A 21 69.726 -2.645 -20.655 1.00 0.00 C ATOM 357 CD GLU A 21 70.129 -1.545 -19.679 1.00 0.00 C ATOM 358 OE1 GLU A 21 69.954 -1.744 -18.487 1.00 0.00 O ATOM 359 OE2 GLU A 21 70.607 -0.520 -20.136 1.00 0.00 O ATOM 0 H GLU A 21 71.648 -5.044 -21.191 1.00 0.00 H new ATOM 0 HA GLU A 21 71.269 -3.611 -18.621 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.244 -4.752 -20.602 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.851 -3.897 -19.124 1.00 0.00 H new ATOM 0 HG2 GLU A 21 70.470 -2.730 -21.447 1.00 0.00 H new ATOM 0 HG3 GLU A 21 68.780 -2.390 -21.133 1.00 0.00 H new ATOM 366 N ALA A 22 70.416 -5.668 -17.334 1.00 0.00 N ATOM 367 CA ALA A 22 70.270 -6.895 -16.557 1.00 0.00 C ATOM 368 C ALA A 22 69.067 -6.812 -15.622 1.00 0.00 C ATOM 369 O ALA A 22 68.698 -5.734 -15.158 1.00 0.00 O ATOM 370 CB ALA A 22 71.537 -7.142 -15.735 1.00 0.00 C ATOM 0 H ALA A 22 70.187 -4.811 -16.830 1.00 0.00 H new ATOM 0 HA ALA A 22 70.113 -7.720 -17.252 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.423 -8.059 -15.157 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.392 -7.239 -16.404 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.700 -6.304 -15.057 1.00 0.00 H new ATOM 376 N LEU A 23 68.465 -7.966 -15.348 1.00 0.00 N ATOM 377 CA LEU A 23 67.308 -8.030 -14.464 1.00 0.00 C ATOM 378 C LEU A 23 67.705 -8.623 -13.116 1.00 0.00 C ATOM 379 O LEU A 23 68.509 -9.553 -13.052 1.00 0.00 O ATOM 380 CB LEU A 23 66.214 -8.893 -15.096 1.00 0.00 C ATOM 381 CG LEU A 23 65.879 -8.359 -16.490 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.743 -9.187 -17.094 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.441 -6.897 -16.384 1.00 0.00 C ATOM 0 H LEU A 23 68.759 -8.867 -15.725 1.00 0.00 H new ATOM 0 HA LEU A 23 66.931 -7.019 -14.313 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.547 -9.929 -15.163 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.323 -8.885 -14.469 1.00 0.00 H new ATOM 0 HG LEU A 23 66.760 -8.430 -17.127 1.00 0.00 H new ATOM 0 HD11 LEU A 23 64.504 -8.807 -18.087 1.00 0.00 H new ATOM 0 HD12 LEU A 23 65.053 -10.229 -17.169 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.862 -9.115 -16.456 1.00 0.00 H new ATOM 0 HD21 LEU A 23 65.202 -6.516 -17.377 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.560 -6.827 -15.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.249 -6.306 -15.953 1.00 0.00 H new ATOM 395 N LEU A 24 67.135 -8.087 -12.043 1.00 0.00 N ATOM 396 CA LEU A 24 67.440 -8.582 -10.707 1.00 0.00 C ATOM 397 C LEU A 24 66.463 -9.688 -10.323 1.00 0.00 C ATOM 398 O LEU A 24 65.265 -9.589 -10.590 1.00 0.00 O ATOM 399 CB LEU A 24 67.347 -7.439 -9.693 1.00 0.00 C ATOM 400 CG LEU A 24 68.231 -6.277 -10.150 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.228 -5.185 -9.081 1.00 0.00 C ATOM 402 CD2 LEU A 24 69.662 -6.776 -10.364 1.00 0.00 C ATOM 0 H LEU A 24 66.466 -7.318 -12.071 1.00 0.00 H new ATOM 0 HA LEU A 24 68.453 -8.984 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.313 -7.107 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 24 67.663 -7.785 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 24 67.844 -5.873 -11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.858 -4.356 -9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.209 -4.828 -8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.615 -5.590 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.291 -5.948 -10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 24 70.050 -7.181 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.665 -7.555 -11.126 1.00 0.00 H new ATOM 414 N ASP A 25 66.979 -10.742 -9.700 1.00 0.00 N ATOM 415 CA ASP A 25 66.134 -11.858 -9.293 1.00 0.00 C ATOM 416 C ASP A 25 66.571 -12.408 -7.939 1.00 0.00 C ATOM 417 O ASP A 25 67.417 -13.299 -7.863 1.00 0.00 O ATOM 418 CB ASP A 25 66.199 -12.969 -10.342 1.00 0.00 C ATOM 419 CG ASP A 25 65.212 -14.075 -9.988 1.00 0.00 C ATOM 420 OD1 ASP A 25 64.462 -13.892 -9.042 1.00 0.00 O ATOM 421 OD2 ASP A 25 65.217 -15.088 -10.667 1.00 0.00 O ATOM 0 H ASP A 25 67.967 -10.847 -9.468 1.00 0.00 H new ATOM 0 HA ASP A 25 65.110 -11.496 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 25 65.967 -12.565 -11.327 1.00 0.00 H new ATOM 0 HB3 ASP A 25 67.210 -13.374 -10.393 1.00 0.00 H new ATOM 426 N THR A 26 65.985 -11.872 -6.874 1.00 0.00 N ATOM 427 CA THR A 26 66.310 -12.316 -5.525 1.00 0.00 C ATOM 428 C THR A 26 65.957 -13.788 -5.339 1.00 0.00 C ATOM 429 O THR A 26 66.548 -14.479 -4.509 1.00 0.00 O ATOM 430 CB THR A 26 65.547 -11.475 -4.499 1.00 0.00 C ATOM 431 OG1 THR A 26 65.837 -10.099 -4.705 1.00 0.00 O ATOM 432 CG2 THR A 26 65.970 -11.883 -3.087 1.00 0.00 C ATOM 0 H THR A 26 65.285 -11.132 -6.919 1.00 0.00 H new ATOM 0 HA THR A 26 67.382 -12.191 -5.375 1.00 0.00 H new ATOM 0 HB THR A 26 64.476 -11.641 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 26 65.347 -9.560 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 26 65.426 -11.284 -2.357 1.00 0.00 H new ATOM 0 HG22 THR A 26 65.745 -12.938 -2.930 1.00 0.00 H new ATOM 0 HG23 THR A 26 67.041 -11.719 -2.966 1.00 0.00 H new ATOM 440 N GLY A 27 64.993 -14.263 -6.121 1.00 0.00 N ATOM 441 CA GLY A 27 64.572 -15.657 -6.038 1.00 0.00 C ATOM 442 C GLY A 27 65.682 -16.594 -6.506 1.00 0.00 C ATOM 443 O GLY A 27 65.633 -17.799 -6.261 1.00 0.00 O ATOM 0 H GLY A 27 64.492 -13.708 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 27 64.298 -15.897 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 27 63.682 -15.809 -6.649 1.00 0.00 H new ATOM 447 N ALA A 28 66.684 -16.031 -7.174 1.00 0.00 N ATOM 448 CA ALA A 28 67.802 -16.828 -7.665 1.00 0.00 C ATOM 449 C ALA A 28 69.098 -16.427 -6.968 1.00 0.00 C ATOM 450 O ALA A 28 69.377 -15.242 -6.791 1.00 0.00 O ATOM 451 CB ALA A 28 67.955 -16.638 -9.175 1.00 0.00 C ATOM 0 H ALA A 28 66.745 -15.035 -7.386 1.00 0.00 H new ATOM 0 HA ALA A 28 67.597 -17.876 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.792 -17.237 -9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.041 -16.956 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.141 -15.586 -9.392 1.00 0.00 H new ATOM 457 N ASP A 29 69.891 -17.422 -6.582 1.00 0.00 N ATOM 458 CA ASP A 29 71.160 -17.155 -5.914 1.00 0.00 C ATOM 459 C ASP A 29 72.304 -17.150 -6.923 1.00 0.00 C ATOM 460 O ASP A 29 73.358 -16.562 -6.679 1.00 0.00 O ATOM 461 CB ASP A 29 71.421 -18.219 -4.846 1.00 0.00 C ATOM 462 CG ASP A 29 70.388 -18.106 -3.730 1.00 0.00 C ATOM 463 OD1 ASP A 29 69.683 -17.111 -3.702 1.00 0.00 O ATOM 464 OD2 ASP A 29 70.315 -19.017 -2.922 1.00 0.00 O ATOM 0 H ASP A 29 69.680 -18.411 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 29 71.103 -16.174 -5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 29 71.378 -19.212 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 29 72.424 -18.097 -4.437 1.00 0.00 H new ATOM 469 N ASP A 30 72.089 -17.813 -8.056 1.00 0.00 N ATOM 470 CA ASP A 30 73.109 -17.889 -9.097 1.00 0.00 C ATOM 471 C ASP A 30 72.963 -16.736 -10.087 1.00 0.00 C ATOM 472 O ASP A 30 71.893 -16.138 -10.204 1.00 0.00 O ATOM 473 CB ASP A 30 72.996 -19.220 -9.840 1.00 0.00 C ATOM 474 CG ASP A 30 73.352 -20.370 -8.904 1.00 0.00 C ATOM 475 OD1 ASP A 30 73.877 -20.099 -7.837 1.00 0.00 O ATOM 476 OD2 ASP A 30 73.095 -21.505 -9.269 1.00 0.00 O ATOM 0 H ASP A 30 71.222 -18.303 -8.276 1.00 0.00 H new ATOM 0 HA ASP A 30 74.088 -17.817 -8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 30 71.982 -19.349 -10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 30 73.662 -19.222 -10.703 1.00 0.00 H new ATOM 481 N THR A 31 74.043 -16.437 -10.801 1.00 0.00 N ATOM 482 CA THR A 31 74.027 -15.361 -11.787 1.00 0.00 C ATOM 483 C THR A 31 74.341 -15.916 -13.173 1.00 0.00 C ATOM 484 O THR A 31 75.320 -16.640 -13.352 1.00 0.00 O ATOM 485 CB THR A 31 75.067 -14.303 -11.408 1.00 0.00 C ATOM 486 OG1 THR A 31 74.786 -13.811 -10.105 1.00 0.00 O ATOM 487 CG2 THR A 31 75.026 -13.151 -12.412 1.00 0.00 C ATOM 0 H THR A 31 74.937 -16.921 -10.717 1.00 0.00 H new ATOM 0 HA THR A 31 73.036 -14.907 -11.803 1.00 0.00 H new ATOM 0 HB THR A 31 76.060 -14.752 -11.422 1.00 0.00 H new ATOM 0 HG1 THR A 31 74.906 -12.838 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.768 -12.402 -12.137 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.246 -13.530 -13.410 1.00 0.00 H new ATOM 0 HG23 THR A 31 74.034 -12.699 -12.406 1.00 0.00 H new ATOM 495 N VAL A 32 73.506 -15.578 -14.152 1.00 0.00 N ATOM 496 CA VAL A 32 73.717 -16.061 -15.512 1.00 0.00 C ATOM 497 C VAL A 32 73.582 -14.925 -16.525 1.00 0.00 C ATOM 498 O VAL A 32 72.684 -14.090 -16.421 1.00 0.00 O ATOM 499 CB VAL A 32 72.713 -17.167 -15.836 1.00 0.00 C ATOM 500 CG1 VAL A 32 73.049 -17.780 -17.196 1.00 0.00 C ATOM 501 CG2 VAL A 32 72.786 -18.251 -14.758 1.00 0.00 C ATOM 0 H VAL A 32 72.688 -14.980 -14.032 1.00 0.00 H new ATOM 0 HA VAL A 32 74.729 -16.460 -15.577 1.00 0.00 H new ATOM 0 HB VAL A 32 71.707 -16.748 -15.865 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.333 -18.569 -17.427 1.00 0.00 H new ATOM 0 HG12 VAL A 32 73.000 -17.009 -17.965 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.054 -18.200 -17.167 1.00 0.00 H new ATOM 0 HG21 VAL A 32 72.071 -19.041 -14.987 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.792 -18.669 -14.730 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.547 -17.816 -13.788 1.00 0.00 H new ATOM 511 N ILE A 33 74.484 -14.901 -17.501 1.00 0.00 N ATOM 512 CA ILE A 33 74.461 -13.861 -18.527 1.00 0.00 C ATOM 513 C ILE A 33 74.289 -14.475 -19.916 1.00 0.00 C ATOM 514 O ILE A 33 74.929 -15.473 -20.246 1.00 0.00 O ATOM 515 CB ILE A 33 75.769 -13.065 -18.475 1.00 0.00 C ATOM 516 CG1 ILE A 33 75.953 -12.491 -17.068 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.728 -11.918 -19.487 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.318 -11.808 -16.971 1.00 0.00 C ATOM 0 H ILE A 33 75.235 -15.583 -17.604 1.00 0.00 H new ATOM 0 HA ILE A 33 73.617 -13.199 -18.334 1.00 0.00 H new ATOM 0 HB ILE A 33 76.600 -13.726 -18.720 1.00 0.00 H new ATOM 0 HG12 ILE A 33 75.160 -11.776 -16.849 1.00 0.00 H new ATOM 0 HG13 ILE A 33 75.879 -13.286 -16.326 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.663 -11.359 -19.441 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.596 -12.323 -20.490 1.00 0.00 H new ATOM 0 HG23 ILE A 33 74.896 -11.254 -19.251 1.00 0.00 H new ATOM 0 HD11 ILE A 33 77.450 -11.399 -15.969 1.00 0.00 H new ATOM 0 HD12 ILE A 33 78.104 -12.536 -17.172 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.374 -11.002 -17.702 1.00 0.00 H new ATOM 530 N GLU A 34 73.429 -13.872 -20.733 1.00 0.00 N ATOM 531 CA GLU A 34 73.206 -14.376 -22.083 1.00 0.00 C ATOM 532 C GLU A 34 74.510 -14.366 -22.871 1.00 0.00 C ATOM 533 O GLU A 34 75.334 -13.465 -22.717 1.00 0.00 O ATOM 534 CB GLU A 34 72.147 -13.526 -22.801 1.00 0.00 C ATOM 535 CG GLU A 34 72.195 -13.774 -24.315 1.00 0.00 C ATOM 536 CD GLU A 34 72.066 -15.264 -24.617 1.00 0.00 C ATOM 537 OE1 GLU A 34 71.522 -15.973 -23.788 1.00 0.00 O ATOM 538 OE2 GLU A 34 72.516 -15.674 -25.673 1.00 0.00 O ATOM 0 H GLU A 34 72.883 -13.046 -20.488 1.00 0.00 H new ATOM 0 HA GLU A 34 72.844 -15.402 -22.016 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.156 -13.769 -22.418 1.00 0.00 H new ATOM 0 HB3 GLU A 34 72.318 -12.470 -22.594 1.00 0.00 H new ATOM 0 HG2 GLU A 34 71.390 -13.227 -24.805 1.00 0.00 H new ATOM 0 HG3 GLU A 34 73.132 -13.394 -24.722 1.00 0.00 H new ATOM 545 N GLU A 35 74.693 -15.378 -23.712 1.00 0.00 N ATOM 546 CA GLU A 35 75.905 -15.476 -24.513 1.00 0.00 C ATOM 547 C GLU A 35 75.943 -14.368 -25.560 1.00 0.00 C ATOM 548 O GLU A 35 74.969 -14.150 -26.281 1.00 0.00 O ATOM 549 CB GLU A 35 75.967 -16.838 -25.204 1.00 0.00 C ATOM 550 CG GLU A 35 77.310 -16.986 -25.920 1.00 0.00 C ATOM 551 CD GLU A 35 77.342 -18.295 -26.699 1.00 0.00 C ATOM 552 OE1 GLU A 35 76.350 -19.006 -26.664 1.00 0.00 O ATOM 553 OE2 GLU A 35 78.356 -18.569 -27.320 1.00 0.00 O ATOM 0 H GLU A 35 74.024 -16.135 -23.855 1.00 0.00 H new ATOM 0 HA GLU A 35 76.765 -15.367 -23.853 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.844 -17.635 -24.471 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.149 -16.933 -25.919 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.465 -16.146 -26.597 1.00 0.00 H new ATOM 0 HG3 GLU A 35 78.123 -16.965 -25.194 1.00 0.00 H new ATOM 560 N MET A 36 77.075 -13.675 -25.636 1.00 0.00 N ATOM 561 CA MET A 36 77.241 -12.588 -26.595 1.00 0.00 C ATOM 562 C MET A 36 78.683 -12.090 -26.590 1.00 0.00 C ATOM 563 O MET A 36 79.284 -11.916 -25.529 1.00 0.00 O ATOM 564 CB MET A 36 76.300 -11.432 -26.246 1.00 0.00 C ATOM 565 CG MET A 36 75.237 -11.287 -27.336 1.00 0.00 C ATOM 566 SD MET A 36 74.209 -9.840 -26.984 1.00 0.00 S ATOM 567 CE MET A 36 75.481 -8.581 -27.251 1.00 0.00 C ATOM 0 H MET A 36 77.889 -13.846 -25.046 1.00 0.00 H new ATOM 0 HA MET A 36 76.999 -12.964 -27.589 1.00 0.00 H new ATOM 0 HB2 MET A 36 75.824 -11.615 -25.283 1.00 0.00 H new ATOM 0 HB3 MET A 36 76.866 -10.505 -26.151 1.00 0.00 H new ATOM 0 HG2 MET A 36 75.712 -11.181 -28.311 1.00 0.00 H new ATOM 0 HG3 MET A 36 74.619 -12.184 -27.379 1.00 0.00 H new ATOM 0 HE1 MET A 36 75.025 -7.687 -27.676 1.00 0.00 H new ATOM 0 HE2 MET A 36 75.951 -8.331 -26.300 1.00 0.00 H new ATOM 0 HE3 MET A 36 76.235 -8.965 -27.938 1.00 0.00 H new ATOM 577 N SER A 37 79.236 -11.868 -27.777 1.00 0.00 N ATOM 578 CA SER A 37 80.612 -11.398 -27.884 1.00 0.00 C ATOM 579 C SER A 37 81.539 -12.276 -27.058 1.00 0.00 C ATOM 580 O SER A 37 81.541 -13.499 -27.194 1.00 0.00 O ATOM 581 CB SER A 37 80.706 -9.954 -27.394 1.00 0.00 C ATOM 582 OG SER A 37 81.989 -9.431 -27.712 1.00 0.00 O ATOM 0 H SER A 37 78.760 -12.004 -28.669 1.00 0.00 H new ATOM 0 HA SER A 37 80.916 -11.449 -28.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 79.928 -9.349 -27.860 1.00 0.00 H new ATOM 0 HB3 SER A 37 80.540 -9.912 -26.317 1.00 0.00 H new ATOM 0 HG SER A 37 81.902 -8.757 -28.418 1.00 0.00 H new ATOM 588 N LEU A 38 82.319 -11.642 -26.199 1.00 0.00 N ATOM 589 CA LEU A 38 83.251 -12.367 -25.342 1.00 0.00 C ATOM 590 C LEU A 38 84.246 -13.173 -26.189 1.00 0.00 C ATOM 591 O LEU A 38 83.853 -14.125 -26.863 1.00 0.00 O ATOM 592 CB LEU A 38 82.479 -13.320 -24.423 1.00 0.00 C ATOM 593 CG LEU A 38 82.403 -12.724 -23.013 1.00 0.00 C ATOM 594 CD1 LEU A 38 83.804 -12.671 -22.399 1.00 0.00 C ATOM 595 CD2 LEU A 38 81.828 -11.308 -23.091 1.00 0.00 C ATOM 0 H LEU A 38 82.328 -10.630 -26.074 1.00 0.00 H new ATOM 0 HA LEU A 38 83.802 -11.643 -24.741 1.00 0.00 H new ATOM 0 HB2 LEU A 38 81.475 -13.485 -24.814 1.00 0.00 H new ATOM 0 HB3 LEU A 38 82.973 -14.291 -24.392 1.00 0.00 H new ATOM 0 HG LEU A 38 81.760 -13.347 -22.391 1.00 0.00 H new ATOM 0 HD11 LEU A 38 83.746 -12.247 -21.397 1.00 0.00 H new ATOM 0 HD12 LEU A 38 84.215 -13.679 -22.343 1.00 0.00 H new ATOM 0 HD13 LEU A 38 84.450 -12.050 -23.019 1.00 0.00 H new ATOM 0 HD21 LEU A 38 81.773 -10.882 -22.089 1.00 0.00 H new ATOM 0 HD22 LEU A 38 82.472 -10.688 -23.714 1.00 0.00 H new ATOM 0 HD23 LEU A 38 80.829 -11.344 -23.525 1.00 0.00 H new ATOM 607 N PRO A 39 85.517 -12.823 -26.177 1.00 0.00 N ATOM 608 CA PRO A 39 86.552 -13.551 -26.971 1.00 0.00 C ATOM 609 C PRO A 39 86.415 -15.070 -26.859 1.00 0.00 C ATOM 610 O PRO A 39 85.685 -15.578 -26.007 1.00 0.00 O ATOM 611 CB PRO A 39 87.871 -13.075 -26.365 1.00 0.00 C ATOM 612 CG PRO A 39 87.583 -11.712 -25.831 1.00 0.00 C ATOM 613 CD PRO A 39 86.111 -11.706 -25.418 1.00 0.00 C ATOM 0 HA PRO A 39 86.466 -13.344 -28.038 1.00 0.00 H new ATOM 0 HB2 PRO A 39 88.206 -13.746 -25.574 1.00 0.00 H new ATOM 0 HB3 PRO A 39 88.662 -13.046 -27.115 1.00 0.00 H new ATOM 0 HG2 PRO A 39 88.225 -11.486 -24.980 1.00 0.00 H new ATOM 0 HG3 PRO A 39 87.776 -10.951 -26.587 1.00 0.00 H new ATOM 0 HD2 PRO A 39 85.998 -11.850 -24.343 1.00 0.00 H new ATOM 0 HD3 PRO A 39 85.632 -10.758 -25.664 1.00 0.00 H new ATOM 621 N GLY A 40 87.124 -15.784 -27.729 1.00 0.00 N ATOM 622 CA GLY A 40 87.083 -17.245 -27.730 1.00 0.00 C ATOM 623 C GLY A 40 87.585 -17.810 -26.404 1.00 0.00 C ATOM 624 O GLY A 40 87.714 -19.023 -26.243 1.00 0.00 O ATOM 0 H GLY A 40 87.732 -15.378 -28.440 1.00 0.00 H new ATOM 0 HA2 GLY A 40 86.062 -17.583 -27.910 1.00 0.00 H new ATOM 0 HA3 GLY A 40 87.694 -17.628 -28.547 1.00 0.00 H new ATOM 628 N ARG A 41 87.879 -16.921 -25.463 1.00 0.00 N ATOM 629 CA ARG A 41 88.378 -17.342 -24.158 1.00 0.00 C ATOM 630 C ARG A 41 87.234 -17.523 -23.161 1.00 0.00 C ATOM 631 O ARG A 41 86.473 -16.593 -22.897 1.00 0.00 O ATOM 632 CB ARG A 41 89.364 -16.303 -23.622 1.00 0.00 C ATOM 633 CG ARG A 41 90.039 -16.845 -22.361 1.00 0.00 C ATOM 634 CD ARG A 41 91.083 -15.842 -21.868 1.00 0.00 C ATOM 635 NE ARG A 41 90.434 -14.653 -21.331 1.00 0.00 N ATOM 636 CZ ARG A 41 91.097 -13.801 -20.556 1.00 0.00 C ATOM 637 NH1 ARG A 41 92.350 -14.025 -20.269 1.00 0.00 N ATOM 638 NH2 ARG A 41 90.497 -12.744 -20.083 1.00 0.00 N ATOM 0 H ARG A 41 87.782 -15.912 -25.576 1.00 0.00 H new ATOM 0 HA ARG A 41 88.881 -18.301 -24.281 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.114 -16.073 -24.379 1.00 0.00 H new ATOM 0 HB3 ARG A 41 88.842 -15.373 -23.397 1.00 0.00 H new ATOM 0 HG2 ARG A 41 89.294 -17.022 -21.585 1.00 0.00 H new ATOM 0 HG3 ARG A 41 90.512 -17.804 -22.573 1.00 0.00 H new ATOM 0 HD2 ARG A 41 91.704 -16.303 -21.100 1.00 0.00 H new ATOM 0 HD3 ARG A 41 91.744 -15.563 -22.688 1.00 0.00 H new ATOM 0 HE ARG A 41 89.455 -14.472 -21.553 1.00 0.00 H new ATOM 0 HH11 ARG A 41 92.818 -14.852 -20.639 1.00 0.00 H new ATOM 0 HH12 ARG A 41 92.861 -13.373 -19.674 1.00 0.00 H new ATOM 0 HH21 ARG A 41 89.517 -12.570 -20.308 1.00 0.00 H new ATOM 0 HH22 ARG A 41 91.007 -12.091 -19.488 1.00 0.00 H new ATOM 652 N TRP A 42 87.134 -18.727 -22.600 1.00 0.00 N ATOM 653 CA TRP A 42 86.094 -19.026 -21.618 1.00 0.00 C ATOM 654 C TRP A 42 86.440 -20.293 -20.843 1.00 0.00 C ATOM 655 O TRP A 42 87.515 -20.867 -21.017 1.00 0.00 O ATOM 656 CB TRP A 42 84.736 -19.203 -22.302 1.00 0.00 C ATOM 657 CG TRP A 42 84.899 -19.139 -23.784 1.00 0.00 C ATOM 658 CD1 TRP A 42 84.752 -18.021 -24.531 1.00 0.00 C ATOM 659 CD2 TRP A 42 85.227 -20.213 -24.713 1.00 0.00 C ATOM 660 NE1 TRP A 42 84.966 -18.341 -25.859 1.00 0.00 N ATOM 661 CE2 TRP A 42 85.264 -19.680 -26.022 1.00 0.00 C ATOM 662 CE3 TRP A 42 85.493 -21.585 -24.547 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.556 -20.478 -27.129 1.00 0.00 C ATOM 664 CZ3 TRP A 42 85.788 -22.391 -25.659 1.00 0.00 C ATOM 665 CH2 TRP A 42 85.818 -21.839 -26.947 1.00 0.00 C ATOM 0 H TRP A 42 87.757 -19.507 -22.807 1.00 0.00 H new ATOM 0 HA TRP A 42 86.036 -18.186 -20.926 1.00 0.00 H new ATOM 0 HB2 TRP A 42 84.298 -20.160 -22.017 1.00 0.00 H new ATOM 0 HB3 TRP A 42 84.048 -18.426 -21.970 1.00 0.00 H new ATOM 0 HD1 TRP A 42 84.508 -17.040 -24.152 1.00 0.00 H new ATOM 0 HE1 TRP A 42 84.911 -17.670 -26.625 1.00 0.00 H new ATOM 0 HE3 TRP A 42 85.470 -22.021 -23.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 85.579 -20.047 -28.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 85.993 -23.442 -25.521 1.00 0.00 H new ATOM 0 HH2 TRP A 42 86.043 -22.465 -27.798 1.00 0.00 H new ATOM 676 N LYS A 43 85.519 -20.724 -19.985 1.00 0.00 N ATOM 677 CA LYS A 43 85.732 -21.924 -19.184 1.00 0.00 C ATOM 678 C LYS A 43 84.611 -22.939 -19.432 1.00 0.00 C ATOM 679 O LYS A 43 83.558 -22.875 -18.797 1.00 0.00 O ATOM 680 CB LYS A 43 85.774 -21.553 -17.699 1.00 0.00 C ATOM 681 CG LYS A 43 86.980 -22.225 -17.040 1.00 0.00 C ATOM 682 CD LYS A 43 86.804 -23.745 -17.078 1.00 0.00 C ATOM 683 CE LYS A 43 87.593 -24.381 -15.931 1.00 0.00 C ATOM 684 NZ LYS A 43 88.004 -25.762 -16.311 1.00 0.00 N ATOM 0 H LYS A 43 84.623 -20.263 -19.828 1.00 0.00 H new ATOM 0 HA LYS A 43 86.682 -22.374 -19.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.840 -20.471 -17.585 1.00 0.00 H new ATOM 0 HB3 LYS A 43 84.854 -21.870 -17.208 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.896 -21.942 -17.559 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.080 -21.886 -16.009 1.00 0.00 H new ATOM 0 HD2 LYS A 43 85.748 -24.001 -16.993 1.00 0.00 H new ATOM 0 HD3 LYS A 43 87.151 -24.138 -18.034 1.00 0.00 H new ATOM 0 HE2 LYS A 43 88.473 -23.779 -15.704 1.00 0.00 H new ATOM 0 HE3 LYS A 43 86.983 -24.408 -15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 88.540 -26.192 -15.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 87.158 -26.334 -16.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 88.601 -25.725 -17.162 1.00 0.00 H new ATOM 698 N PRO A 44 84.808 -23.863 -20.344 1.00 0.00 N ATOM 699 CA PRO A 44 83.780 -24.895 -20.674 1.00 0.00 C ATOM 700 C PRO A 44 83.251 -25.611 -19.433 1.00 0.00 C ATOM 701 O PRO A 44 84.019 -26.010 -18.557 1.00 0.00 O ATOM 702 CB PRO A 44 84.521 -25.875 -21.588 1.00 0.00 C ATOM 703 CG PRO A 44 85.646 -25.096 -22.181 1.00 0.00 C ATOM 704 CD PRO A 44 86.023 -24.022 -21.162 1.00 0.00 C ATOM 0 HA PRO A 44 82.900 -24.450 -21.139 1.00 0.00 H new ATOM 0 HB2 PRO A 44 84.891 -26.732 -21.026 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.861 -26.263 -22.364 1.00 0.00 H new ATOM 0 HG2 PRO A 44 86.496 -25.744 -22.392 1.00 0.00 H new ATOM 0 HG3 PRO A 44 85.347 -24.644 -23.127 1.00 0.00 H new ATOM 0 HD2 PRO A 44 86.875 -24.329 -20.555 1.00 0.00 H new ATOM 0 HD3 PRO A 44 86.300 -23.088 -21.651 1.00 0.00 H new ATOM 712 N LYS A 45 81.933 -25.773 -19.378 1.00 0.00 N ATOM 713 CA LYS A 45 81.294 -26.447 -18.250 1.00 0.00 C ATOM 714 C LYS A 45 80.004 -27.136 -18.685 1.00 0.00 C ATOM 715 O LYS A 45 79.402 -26.769 -19.694 1.00 0.00 O ATOM 716 CB LYS A 45 80.984 -25.441 -17.139 1.00 0.00 C ATOM 717 CG LYS A 45 82.074 -25.505 -16.064 1.00 0.00 C ATOM 718 CD LYS A 45 81.785 -26.659 -15.100 1.00 0.00 C ATOM 719 CE LYS A 45 82.886 -26.722 -14.039 1.00 0.00 C ATOM 720 NZ LYS A 45 84.172 -27.116 -14.681 1.00 0.00 N ATOM 0 H LYS A 45 81.287 -25.449 -20.098 1.00 0.00 H new ATOM 0 HA LYS A 45 81.985 -27.202 -17.875 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.927 -24.434 -17.553 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.012 -25.660 -16.698 1.00 0.00 H new ATOM 0 HG2 LYS A 45 83.049 -25.644 -16.530 1.00 0.00 H new ATOM 0 HG3 LYS A 45 82.114 -24.563 -15.517 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.814 -26.516 -14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 45 81.737 -27.601 -15.647 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.992 -25.753 -13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 45 82.619 -27.441 -13.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 84.834 -27.453 -13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 83.998 -27.876 -15.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 84.583 -26.294 -15.169 1.00 0.00 H new ATOM 734 N MET A 46 79.583 -28.128 -17.909 1.00 0.00 N ATOM 735 CA MET A 46 78.357 -28.857 -18.211 1.00 0.00 C ATOM 736 C MET A 46 77.545 -29.063 -16.936 1.00 0.00 C ATOM 737 O MET A 46 78.098 -29.391 -15.886 1.00 0.00 O ATOM 738 CB MET A 46 78.693 -30.215 -18.826 1.00 0.00 C ATOM 739 CG MET A 46 77.407 -30.884 -19.319 1.00 0.00 C ATOM 740 SD MET A 46 77.774 -32.571 -19.866 1.00 0.00 S ATOM 741 CE MET A 46 78.089 -33.287 -18.232 1.00 0.00 C ATOM 0 H MET A 46 80.070 -28.445 -17.070 1.00 0.00 H new ATOM 0 HA MET A 46 77.770 -28.276 -18.922 1.00 0.00 H new ATOM 0 HB2 MET A 46 79.390 -30.089 -19.654 1.00 0.00 H new ATOM 0 HB3 MET A 46 79.185 -30.849 -18.088 1.00 0.00 H new ATOM 0 HG2 MET A 46 76.665 -30.903 -18.521 1.00 0.00 H new ATOM 0 HG3 MET A 46 76.977 -30.310 -20.140 1.00 0.00 H new ATOM 0 HE1 MET A 46 77.687 -34.299 -18.195 1.00 0.00 H new ATOM 0 HE2 MET A 46 79.163 -33.316 -18.048 1.00 0.00 H new ATOM 0 HE3 MET A 46 77.607 -32.677 -17.468 1.00 0.00 H new ATOM 751 N ILE A 47 76.231 -28.881 -17.031 1.00 0.00 N ATOM 752 CA ILE A 47 75.361 -29.061 -15.874 1.00 0.00 C ATOM 753 C ILE A 47 74.404 -30.222 -16.116 1.00 0.00 C ATOM 754 O ILE A 47 73.767 -30.299 -17.165 1.00 0.00 O ATOM 755 CB ILE A 47 74.559 -27.784 -15.615 1.00 0.00 C ATOM 756 CG1 ILE A 47 75.509 -26.587 -15.503 1.00 0.00 C ATOM 757 CG2 ILE A 47 73.770 -27.930 -14.312 1.00 0.00 C ATOM 758 CD1 ILE A 47 76.595 -26.877 -14.465 1.00 0.00 C ATOM 0 H ILE A 47 75.749 -28.612 -17.889 1.00 0.00 H new ATOM 0 HA ILE A 47 75.979 -29.279 -15.003 1.00 0.00 H new ATOM 0 HB ILE A 47 73.870 -27.621 -16.443 1.00 0.00 H new ATOM 0 HG12 ILE A 47 75.965 -26.382 -16.472 1.00 0.00 H new ATOM 0 HG13 ILE A 47 74.951 -25.695 -15.219 1.00 0.00 H new ATOM 0 HG21 ILE A 47 73.199 -27.020 -14.128 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.088 -28.776 -14.393 1.00 0.00 H new ATOM 0 HG23 ILE A 47 74.460 -28.098 -13.485 1.00 0.00 H new ATOM 0 HD11 ILE A 47 77.266 -26.021 -14.392 1.00 0.00 H new ATOM 0 HD12 ILE A 47 76.132 -27.059 -13.495 1.00 0.00 H new ATOM 0 HD13 ILE A 47 77.162 -27.757 -14.768 1.00 0.00 H new ATOM 770 N GLY A 48 74.308 -31.125 -15.145 1.00 0.00 N ATOM 771 CA GLY A 48 73.425 -32.277 -15.279 1.00 0.00 C ATOM 772 C GLY A 48 72.410 -32.334 -14.140 1.00 0.00 C ATOM 773 O GLY A 48 71.217 -32.537 -14.367 1.00 0.00 O ATOM 0 H GLY A 48 74.825 -31.082 -14.267 1.00 0.00 H new ATOM 0 HA2 GLY A 48 72.901 -32.227 -16.234 1.00 0.00 H new ATOM 0 HA3 GLY A 48 74.017 -33.192 -15.288 1.00 0.00 H new ATOM 777 N GLY A 49 72.898 -32.174 -12.917 1.00 0.00 N ATOM 778 CA GLY A 49 72.038 -32.229 -11.740 1.00 0.00 C ATOM 779 C GLY A 49 70.876 -31.241 -11.821 1.00 0.00 C ATOM 780 O GLY A 49 69.776 -31.537 -11.354 1.00 0.00 O ATOM 0 H GLY A 49 73.883 -32.005 -12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.645 -33.239 -11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.631 -32.017 -10.850 1.00 0.00 H new ATOM 784 N ILE A 50 71.121 -30.065 -12.392 1.00 0.00 N ATOM 785 CA ILE A 50 70.072 -29.052 -12.491 1.00 0.00 C ATOM 786 C ILE A 50 69.757 -28.696 -13.943 1.00 0.00 C ATOM 787 O ILE A 50 70.658 -28.438 -14.741 1.00 0.00 O ATOM 788 CB ILE A 50 70.504 -27.788 -11.748 1.00 0.00 C ATOM 789 CG1 ILE A 50 70.829 -28.138 -10.294 1.00 0.00 C ATOM 790 CG2 ILE A 50 69.369 -26.763 -11.781 1.00 0.00 C ATOM 791 CD1 ILE A 50 71.388 -26.903 -9.586 1.00 0.00 C ATOM 0 H ILE A 50 72.021 -29.792 -12.787 1.00 0.00 H new ATOM 0 HA ILE A 50 69.171 -29.468 -12.041 1.00 0.00 H new ATOM 0 HB ILE A 50 71.388 -27.369 -12.229 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.932 -28.488 -9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 50 71.554 -28.951 -10.258 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.677 -25.862 -11.251 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.134 -26.513 -12.816 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.486 -27.183 -11.300 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.620 -27.151 -8.550 1.00 0.00 H new ATOM 0 HD12 ILE A 50 72.295 -26.573 -10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.648 -26.103 -9.611 1.00 0.00 H new ATOM 803 N GLY A 51 68.465 -28.661 -14.265 1.00 0.00 N ATOM 804 CA GLY A 51 68.022 -28.309 -15.611 1.00 0.00 C ATOM 805 C GLY A 51 68.383 -29.386 -16.628 1.00 0.00 C ATOM 806 O GLY A 51 68.543 -29.098 -17.813 1.00 0.00 O ATOM 0 H GLY A 51 67.709 -28.872 -13.613 1.00 0.00 H new ATOM 0 HA2 GLY A 51 66.943 -28.158 -15.610 1.00 0.00 H new ATOM 0 HA3 GLY A 51 68.476 -27.363 -15.907 1.00 0.00 H new ATOM 810 N GLY A 52 68.515 -30.624 -16.167 1.00 0.00 N ATOM 811 CA GLY A 52 68.863 -31.718 -17.065 1.00 0.00 C ATOM 812 C GLY A 52 70.302 -31.571 -17.544 1.00 0.00 C ATOM 813 O GLY A 52 71.126 -30.963 -16.865 1.00 0.00 O ATOM 0 H GLY A 52 68.389 -30.893 -15.191 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.739 -32.672 -16.552 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.187 -31.725 -17.920 1.00 0.00 H new ATOM 817 N PHE A 53 70.598 -32.123 -18.718 1.00 0.00 N ATOM 818 CA PHE A 53 71.947 -32.034 -19.266 1.00 0.00 C ATOM 819 C PHE A 53 72.027 -30.950 -20.336 1.00 0.00 C ATOM 820 O PHE A 53 71.296 -30.983 -21.326 1.00 0.00 O ATOM 821 CB PHE A 53 72.355 -33.379 -19.872 1.00 0.00 C ATOM 822 CG PHE A 53 72.445 -34.420 -18.782 1.00 0.00 C ATOM 823 CD1 PHE A 53 73.652 -34.612 -18.098 1.00 0.00 C ATOM 824 CD2 PHE A 53 71.326 -35.198 -18.460 1.00 0.00 C ATOM 825 CE1 PHE A 53 73.739 -35.580 -17.091 1.00 0.00 C ATOM 826 CE2 PHE A 53 71.414 -36.167 -17.453 1.00 0.00 C ATOM 827 CZ PHE A 53 72.620 -36.358 -16.769 1.00 0.00 C ATOM 0 H PHE A 53 69.932 -32.630 -19.301 1.00 0.00 H new ATOM 0 HA PHE A 53 72.628 -31.777 -18.455 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.627 -33.686 -20.623 1.00 0.00 H new ATOM 0 HB3 PHE A 53 73.315 -33.285 -20.379 1.00 0.00 H new ATOM 0 HD1 PHE A 53 74.515 -34.013 -18.348 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.396 -35.051 -18.988 1.00 0.00 H new ATOM 0 HE1 PHE A 53 74.669 -35.727 -16.562 1.00 0.00 H new ATOM 0 HE2 PHE A 53 70.551 -36.767 -17.204 1.00 0.00 H new ATOM 0 HZ PHE A 53 72.688 -37.106 -15.993 1.00 0.00 H new ATOM 837 N ILE A 54 72.934 -29.997 -20.137 1.00 0.00 N ATOM 838 CA ILE A 54 73.127 -28.911 -21.092 1.00 0.00 C ATOM 839 C ILE A 54 74.583 -28.457 -21.055 1.00 0.00 C ATOM 840 O ILE A 54 75.250 -28.592 -20.029 1.00 0.00 O ATOM 841 CB ILE A 54 72.214 -27.731 -20.744 1.00 0.00 C ATOM 842 CG1 ILE A 54 72.114 -26.786 -21.946 1.00 0.00 C ATOM 843 CG2 ILE A 54 72.795 -26.973 -19.549 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.971 -27.238 -22.857 1.00 0.00 C ATOM 0 H ILE A 54 73.547 -29.955 -19.323 1.00 0.00 H new ATOM 0 HA ILE A 54 72.878 -29.268 -22.091 1.00 0.00 H new ATOM 0 HB ILE A 54 71.221 -28.104 -20.493 1.00 0.00 H new ATOM 0 HG12 ILE A 54 71.940 -25.765 -21.606 1.00 0.00 H new ATOM 0 HG13 ILE A 54 73.054 -26.782 -22.498 1.00 0.00 H new ATOM 0 HG21 ILE A 54 72.146 -26.133 -19.301 1.00 0.00 H new ATOM 0 HG22 ILE A 54 72.865 -27.643 -18.692 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.788 -26.602 -19.802 1.00 0.00 H new ATOM 0 HD11 ILE A 54 70.900 -26.566 -23.712 1.00 0.00 H new ATOM 0 HD12 ILE A 54 71.164 -28.252 -23.208 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.033 -27.219 -22.301 1.00 0.00 H new ATOM 856 N LYS A 55 75.077 -27.913 -22.162 1.00 0.00 N ATOM 857 CA LYS A 55 76.459 -27.444 -22.204 1.00 0.00 C ATOM 858 C LYS A 55 76.504 -25.921 -22.177 1.00 0.00 C ATOM 859 O LYS A 55 76.000 -25.260 -23.085 1.00 0.00 O ATOM 860 CB LYS A 55 77.151 -27.957 -23.468 1.00 0.00 C ATOM 861 CG LYS A 55 77.261 -29.481 -23.407 1.00 0.00 C ATOM 862 CD LYS A 55 78.071 -29.983 -24.603 1.00 0.00 C ATOM 863 CE LYS A 55 78.099 -31.512 -24.596 1.00 0.00 C ATOM 864 NZ LYS A 55 78.622 -32.005 -25.902 1.00 0.00 N ATOM 0 H LYS A 55 74.553 -27.787 -23.028 1.00 0.00 H new ATOM 0 HA LYS A 55 76.981 -27.829 -21.328 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.587 -27.658 -24.351 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.143 -27.514 -23.558 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.741 -29.784 -22.476 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.267 -29.928 -23.414 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.630 -29.621 -25.532 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.087 -29.590 -24.558 1.00 0.00 H new ATOM 0 HE2 LYS A 55 78.728 -31.871 -23.781 1.00 0.00 H new ATOM 0 HE3 LYS A 55 77.097 -31.904 -24.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 78.641 -33.045 -25.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 78.005 -31.673 -26.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 79.585 -31.641 -26.050 1.00 0.00 H new ATOM 878 N VAL A 56 77.100 -25.368 -21.126 1.00 0.00 N ATOM 879 CA VAL A 56 77.193 -23.920 -20.987 1.00 0.00 C ATOM 880 C VAL A 56 78.634 -23.483 -20.744 1.00 0.00 C ATOM 881 O VAL A 56 79.487 -24.288 -20.371 1.00 0.00 O ATOM 882 CB VAL A 56 76.319 -23.448 -19.823 1.00 0.00 C ATOM 883 CG1 VAL A 56 74.858 -23.810 -20.092 1.00 0.00 C ATOM 884 CG2 VAL A 56 76.782 -24.132 -18.534 1.00 0.00 C ATOM 0 H VAL A 56 77.523 -25.896 -20.363 1.00 0.00 H new ATOM 0 HA VAL A 56 76.844 -23.471 -21.917 1.00 0.00 H new ATOM 0 HB VAL A 56 76.408 -22.367 -19.720 1.00 0.00 H new ATOM 0 HG11 VAL A 56 74.240 -23.472 -19.260 1.00 0.00 H new ATOM 0 HG12 VAL A 56 74.526 -23.326 -21.011 1.00 0.00 H new ATOM 0 HG13 VAL A 56 74.764 -24.891 -20.197 1.00 0.00 H new ATOM 0 HG21 VAL A 56 76.162 -23.798 -17.702 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.692 -25.213 -18.643 1.00 0.00 H new ATOM 0 HG23 VAL A 56 77.822 -23.872 -18.338 1.00 0.00 H new ATOM 894 N ARG A 57 78.889 -22.198 -20.957 1.00 0.00 N ATOM 895 CA ARG A 57 80.220 -21.637 -20.761 1.00 0.00 C ATOM 896 C ARG A 57 80.188 -20.620 -19.624 1.00 0.00 C ATOM 897 O ARG A 57 79.193 -19.923 -19.440 1.00 0.00 O ATOM 898 CB ARG A 57 80.680 -20.955 -22.052 1.00 0.00 C ATOM 899 CG ARG A 57 80.903 -22.011 -23.138 1.00 0.00 C ATOM 900 CD ARG A 57 80.806 -21.354 -24.518 1.00 0.00 C ATOM 901 NE ARG A 57 81.499 -20.071 -24.519 1.00 0.00 N ATOM 902 CZ ARG A 57 81.811 -19.459 -25.656 1.00 0.00 C ATOM 903 NH1 ARG A 57 81.520 -20.017 -26.800 1.00 0.00 N ATOM 904 NH2 ARG A 57 82.411 -18.302 -25.631 1.00 0.00 N ATOM 0 H ARG A 57 78.190 -21.523 -21.266 1.00 0.00 H new ATOM 0 HA ARG A 57 80.916 -22.436 -20.505 1.00 0.00 H new ATOM 0 HB2 ARG A 57 79.932 -20.233 -22.380 1.00 0.00 H new ATOM 0 HB3 ARG A 57 81.602 -20.401 -21.874 1.00 0.00 H new ATOM 0 HG2 ARG A 57 81.881 -22.476 -23.013 1.00 0.00 H new ATOM 0 HG3 ARG A 57 80.160 -22.803 -23.048 1.00 0.00 H new ATOM 0 HD2 ARG A 57 81.241 -22.010 -25.272 1.00 0.00 H new ATOM 0 HD3 ARG A 57 79.760 -21.210 -24.787 1.00 0.00 H new ATOM 0 HE ARG A 57 81.749 -19.636 -23.631 1.00 0.00 H new ATOM 0 HH11 ARG A 57 81.053 -20.923 -26.821 1.00 0.00 H new ATOM 0 HH12 ARG A 57 81.760 -19.546 -27.673 1.00 0.00 H new ATOM 0 HH21 ARG A 57 82.641 -17.866 -24.738 1.00 0.00 H new ATOM 0 HH22 ARG A 57 82.650 -17.833 -26.504 1.00 0.00 H new ATOM 918 N GLN A 58 81.266 -20.548 -18.849 1.00 0.00 N ATOM 919 CA GLN A 58 81.303 -19.612 -17.729 1.00 0.00 C ATOM 920 C GLN A 58 82.685 -18.997 -17.550 1.00 0.00 C ATOM 921 O GLN A 58 83.687 -19.536 -18.019 1.00 0.00 O ATOM 922 CB GLN A 58 80.908 -20.332 -16.439 1.00 0.00 C ATOM 923 CG GLN A 58 81.997 -21.335 -16.052 1.00 0.00 C ATOM 924 CD GLN A 58 81.523 -22.188 -14.881 1.00 0.00 C ATOM 925 OE1 GLN A 58 80.373 -22.623 -14.852 1.00 0.00 O ATOM 926 NE2 GLN A 58 82.347 -22.453 -13.903 1.00 0.00 N ATOM 0 H GLN A 58 82.107 -21.112 -18.970 1.00 0.00 H new ATOM 0 HA GLN A 58 80.597 -18.811 -17.949 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.765 -19.608 -15.637 1.00 0.00 H new ATOM 0 HB3 GLN A 58 79.958 -20.848 -16.576 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.237 -21.972 -16.904 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.911 -20.806 -15.782 1.00 0.00 H new ATOM 0 HE21 GLN A 58 83.301 -22.092 -13.928 1.00 0.00 H new ATOM 0 HE22 GLN A 58 82.037 -23.021 -13.115 1.00 0.00 H new ATOM 935 N TYR A 59 82.723 -17.869 -16.847 1.00 0.00 N ATOM 936 CA TYR A 59 83.981 -17.183 -16.579 1.00 0.00 C ATOM 937 C TYR A 59 84.329 -17.323 -15.099 1.00 0.00 C ATOM 938 O TYR A 59 83.626 -16.800 -14.241 1.00 0.00 O ATOM 939 CB TYR A 59 83.859 -15.705 -16.945 1.00 0.00 C ATOM 940 CG TYR A 59 84.909 -15.351 -17.969 1.00 0.00 C ATOM 941 CD1 TYR A 59 86.234 -15.142 -17.569 1.00 0.00 C ATOM 942 CD2 TYR A 59 84.557 -15.230 -19.320 1.00 0.00 C ATOM 943 CE1 TYR A 59 87.208 -14.813 -18.519 1.00 0.00 C ATOM 944 CE2 TYR A 59 85.532 -14.900 -20.270 1.00 0.00 C ATOM 945 CZ TYR A 59 86.858 -14.691 -19.869 1.00 0.00 C ATOM 946 OH TYR A 59 87.819 -14.367 -20.805 1.00 0.00 O ATOM 0 H TYR A 59 81.900 -17.412 -16.454 1.00 0.00 H new ATOM 0 HA TYR A 59 84.771 -17.631 -17.182 1.00 0.00 H new ATOM 0 HB2 TYR A 59 82.865 -15.499 -17.342 1.00 0.00 H new ATOM 0 HB3 TYR A 59 83.981 -15.088 -16.055 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.505 -15.235 -16.528 1.00 0.00 H new ATOM 0 HD2 TYR A 59 83.535 -15.391 -19.629 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.230 -14.653 -18.210 1.00 0.00 H new ATOM 0 HE2 TYR A 59 85.262 -14.807 -21.311 1.00 0.00 H new ATOM 0 HH TYR A 59 87.408 -14.324 -21.694 1.00 0.00 H new ATOM 956 N ASP A 60 85.396 -18.063 -14.815 1.00 0.00 N ATOM 957 CA ASP A 60 85.819 -18.313 -13.436 1.00 0.00 C ATOM 958 C ASP A 60 86.356 -17.071 -12.722 1.00 0.00 C ATOM 959 O ASP A 60 86.292 -16.995 -11.495 1.00 0.00 O ATOM 960 CB ASP A 60 86.892 -19.399 -13.411 1.00 0.00 C ATOM 961 CG ASP A 60 86.269 -20.753 -13.727 1.00 0.00 C ATOM 962 OD1 ASP A 60 85.068 -20.798 -13.936 1.00 0.00 O ATOM 963 OD2 ASP A 60 87.004 -21.727 -13.755 1.00 0.00 O ATOM 0 H ASP A 60 85.987 -18.502 -15.521 1.00 0.00 H new ATOM 0 HA ASP A 60 84.925 -18.630 -12.899 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.671 -19.169 -14.138 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.369 -19.428 -12.431 1.00 0.00 H new ATOM 968 N GLN A 61 86.904 -16.112 -13.459 1.00 0.00 N ATOM 969 CA GLN A 61 87.454 -14.922 -12.818 1.00 0.00 C ATOM 970 C GLN A 61 87.432 -13.731 -13.763 1.00 0.00 C ATOM 971 O GLN A 61 88.450 -13.368 -14.353 1.00 0.00 O ATOM 972 CB GLN A 61 88.891 -15.192 -12.366 1.00 0.00 C ATOM 973 CG GLN A 61 89.396 -14.015 -11.527 1.00 0.00 C ATOM 974 CD GLN A 61 88.696 -14.000 -10.173 1.00 0.00 C ATOM 975 OE1 GLN A 61 88.611 -15.031 -9.506 1.00 0.00 O ATOM 976 NE2 GLN A 61 88.186 -12.886 -9.724 1.00 0.00 N ATOM 0 H GLN A 61 86.979 -16.131 -14.476 1.00 0.00 H new ATOM 0 HA GLN A 61 86.835 -14.686 -11.953 1.00 0.00 H new ATOM 0 HB2 GLN A 61 88.933 -16.112 -11.782 1.00 0.00 H new ATOM 0 HB3 GLN A 61 89.535 -15.336 -13.234 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.474 -14.094 -11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.210 -13.078 -12.052 1.00 0.00 H new ATOM 0 HE21 GLN A 61 88.257 -12.033 -10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 61 87.716 -12.869 -8.819 1.00 0.00 H new ATOM 985 N ILE A 62 86.262 -13.129 -13.896 1.00 0.00 N ATOM 986 CA ILE A 62 86.100 -11.971 -14.766 1.00 0.00 C ATOM 987 C ILE A 62 85.726 -10.737 -13.947 1.00 0.00 C ATOM 988 O ILE A 62 85.082 -10.845 -12.898 1.00 0.00 O ATOM 989 CB ILE A 62 85.015 -12.256 -15.804 1.00 0.00 C ATOM 990 CG1 ILE A 62 85.015 -11.161 -16.873 1.00 0.00 C ATOM 991 CG2 ILE A 62 83.650 -12.291 -15.114 1.00 0.00 C ATOM 992 CD1 ILE A 62 84.372 -11.706 -18.149 1.00 0.00 C ATOM 0 H ILE A 62 85.411 -13.420 -13.415 1.00 0.00 H new ATOM 0 HA ILE A 62 87.045 -11.777 -15.274 1.00 0.00 H new ATOM 0 HB ILE A 62 85.214 -13.218 -16.276 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.465 -10.289 -16.518 1.00 0.00 H new ATOM 0 HG13 ILE A 62 86.035 -10.834 -17.076 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.874 -12.494 -15.852 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.645 -13.075 -14.357 1.00 0.00 H new ATOM 0 HG23 ILE A 62 83.457 -11.328 -14.640 1.00 0.00 H new ATOM 0 HD11 ILE A 62 84.369 -10.930 -18.915 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.941 -12.565 -18.505 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.347 -12.012 -17.938 1.00 0.00 H new ATOM 1004 N ILE A 63 86.144 -9.566 -14.426 1.00 0.00 N ATOM 1005 CA ILE A 63 85.861 -8.316 -13.725 1.00 0.00 C ATOM 1006 C ILE A 63 84.702 -7.577 -14.388 1.00 0.00 C ATOM 1007 O ILE A 63 84.683 -7.393 -15.605 1.00 0.00 O ATOM 1008 CB ILE A 63 87.101 -7.418 -13.737 1.00 0.00 C ATOM 1009 CG1 ILE A 63 88.300 -8.194 -13.191 1.00 0.00 C ATOM 1010 CG2 ILE A 63 86.856 -6.190 -12.857 1.00 0.00 C ATOM 1011 CD1 ILE A 63 89.545 -7.307 -13.247 1.00 0.00 C ATOM 0 H ILE A 63 86.676 -9.457 -15.290 1.00 0.00 H new ATOM 0 HA ILE A 63 85.589 -8.556 -12.697 1.00 0.00 H new ATOM 0 HB ILE A 63 87.303 -7.101 -14.760 1.00 0.00 H new ATOM 0 HG12 ILE A 63 88.108 -8.507 -12.165 1.00 0.00 H new ATOM 0 HG13 ILE A 63 88.458 -9.100 -13.776 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.740 -5.553 -12.867 1.00 0.00 H new ATOM 0 HG22 ILE A 63 86.002 -5.632 -13.241 1.00 0.00 H new ATOM 0 HG23 ILE A 63 86.651 -6.510 -11.835 1.00 0.00 H new ATOM 0 HD11 ILE A 63 90.402 -7.857 -12.858 1.00 0.00 H new ATOM 0 HD12 ILE A 63 89.739 -7.016 -14.280 1.00 0.00 H new ATOM 0 HD13 ILE A 63 89.383 -6.414 -12.643 1.00 0.00 H new ATOM 1023 N ILE A 64 83.741 -7.155 -13.576 1.00 0.00 N ATOM 1024 CA ILE A 64 82.581 -6.433 -14.086 1.00 0.00 C ATOM 1025 C ILE A 64 82.450 -5.076 -13.402 1.00 0.00 C ATOM 1026 O ILE A 64 82.660 -4.958 -12.193 1.00 0.00 O ATOM 1027 CB ILE A 64 81.312 -7.252 -13.847 1.00 0.00 C ATOM 1028 CG1 ILE A 64 81.462 -8.628 -14.500 1.00 0.00 C ATOM 1029 CG2 ILE A 64 80.115 -6.526 -14.464 1.00 0.00 C ATOM 1030 CD1 ILE A 64 80.263 -9.503 -14.131 1.00 0.00 C ATOM 0 H ILE A 64 83.741 -7.299 -12.566 1.00 0.00 H new ATOM 0 HA ILE A 64 82.716 -6.275 -15.156 1.00 0.00 H new ATOM 0 HB ILE A 64 81.154 -7.373 -12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.529 -8.523 -15.583 1.00 0.00 H new ATOM 0 HG13 ILE A 64 82.386 -9.101 -14.168 1.00 0.00 H new ATOM 0 HG21 ILE A 64 79.209 -7.108 -14.295 1.00 0.00 H new ATOM 0 HG22 ILE A 64 80.007 -5.545 -14.002 1.00 0.00 H new ATOM 0 HG23 ILE A 64 80.275 -6.407 -15.536 1.00 0.00 H new ATOM 0 HD11 ILE A 64 80.371 -10.483 -14.596 1.00 0.00 H new ATOM 0 HD12 ILE A 64 80.217 -9.619 -13.048 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.346 -9.032 -14.485 1.00 0.00 H new ATOM 1042 N GLU A 65 82.093 -4.055 -14.177 1.00 0.00 N ATOM 1043 CA GLU A 65 81.926 -2.717 -13.623 1.00 0.00 C ATOM 1044 C GLU A 65 80.453 -2.469 -13.311 1.00 0.00 C ATOM 1045 O GLU A 65 79.612 -2.477 -14.211 1.00 0.00 O ATOM 1046 CB GLU A 65 82.422 -1.669 -14.622 1.00 0.00 C ATOM 1047 CG GLU A 65 83.902 -1.909 -14.929 1.00 0.00 C ATOM 1048 CD GLU A 65 84.735 -1.737 -13.664 1.00 0.00 C ATOM 1049 OE1 GLU A 65 84.235 -1.139 -12.724 1.00 0.00 O ATOM 1050 OE2 GLU A 65 85.862 -2.204 -13.652 1.00 0.00 O ATOM 0 H GLU A 65 81.916 -4.128 -15.179 1.00 0.00 H new ATOM 0 HA GLU A 65 82.509 -2.639 -12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 65 81.837 -1.722 -15.540 1.00 0.00 H new ATOM 0 HB3 GLU A 65 82.283 -0.668 -14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 65 84.040 -2.913 -15.331 1.00 0.00 H new ATOM 0 HG3 GLU A 65 84.240 -1.210 -15.694 1.00 0.00 H new ATOM 1057 N ILE A 66 80.140 -2.258 -12.036 1.00 0.00 N ATOM 1058 CA ILE A 66 78.756 -2.023 -11.637 1.00 0.00 C ATOM 1059 C ILE A 66 78.627 -0.743 -10.818 1.00 0.00 C ATOM 1060 O ILE A 66 79.306 -0.572 -9.806 1.00 0.00 O ATOM 1061 CB ILE A 66 78.247 -3.204 -10.813 1.00 0.00 C ATOM 1062 CG1 ILE A 66 78.392 -4.491 -11.627 1.00 0.00 C ATOM 1063 CG2 ILE A 66 76.773 -2.985 -10.464 1.00 0.00 C ATOM 1064 CD1 ILE A 66 78.049 -5.696 -10.749 1.00 0.00 C ATOM 0 H ILE A 66 80.815 -2.245 -11.271 1.00 0.00 H new ATOM 0 HA ILE A 66 78.158 -1.916 -12.542 1.00 0.00 H new ATOM 0 HB ILE A 66 78.829 -3.286 -9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 66 77.732 -4.461 -12.494 1.00 0.00 H new ATOM 0 HG13 ILE A 66 79.411 -4.582 -12.004 1.00 0.00 H new ATOM 0 HG21 ILE A 66 76.409 -3.828 -9.876 1.00 0.00 H new ATOM 0 HG22 ILE A 66 76.669 -2.067 -9.886 1.00 0.00 H new ATOM 0 HG23 ILE A 66 76.190 -2.904 -11.381 1.00 0.00 H new ATOM 0 HD11 ILE A 66 78.153 -6.612 -11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 66 78.727 -5.729 -9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 66 77.022 -5.607 -10.393 1.00 0.00 H new ATOM 1076 N ALA A 67 77.746 0.151 -11.258 1.00 0.00 N ATOM 1077 CA ALA A 67 77.531 1.408 -10.551 1.00 0.00 C ATOM 1078 C ALA A 67 78.857 2.100 -10.263 1.00 0.00 C ATOM 1079 O ALA A 67 79.089 2.578 -9.151 1.00 0.00 O ATOM 1080 CB ALA A 67 76.794 1.144 -9.236 1.00 0.00 C ATOM 0 H ALA A 67 77.174 0.030 -12.094 1.00 0.00 H new ATOM 0 HA ALA A 67 76.929 2.060 -11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.636 2.087 -8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.830 0.680 -9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 67 77.390 0.478 -8.612 1.00 0.00 H new ATOM 1086 N GLY A 68 79.721 2.163 -11.270 1.00 0.00 N ATOM 1087 CA GLY A 68 81.016 2.812 -11.114 1.00 0.00 C ATOM 1088 C GLY A 68 81.851 2.127 -10.039 1.00 0.00 C ATOM 1089 O GLY A 68 82.776 2.725 -9.488 1.00 0.00 O ATOM 0 H GLY A 68 79.549 1.775 -12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 68 81.552 2.791 -12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.871 3.860 -10.852 1.00 0.00 H new ATOM 1093 N HIS A 69 81.523 0.875 -9.738 1.00 0.00 N ATOM 1094 CA HIS A 69 82.257 0.132 -8.722 1.00 0.00 C ATOM 1095 C HIS A 69 82.808 -1.162 -9.312 1.00 0.00 C ATOM 1096 O HIS A 69 82.156 -1.810 -10.131 1.00 0.00 O ATOM 1097 CB HIS A 69 81.337 -0.182 -7.541 1.00 0.00 C ATOM 1098 CG HIS A 69 82.167 -0.569 -6.348 1.00 0.00 C ATOM 1099 ND1 HIS A 69 82.344 -1.889 -5.967 1.00 0.00 N ATOM 1100 CD2 HIS A 69 82.871 0.182 -5.439 1.00 0.00 C ATOM 1101 CE1 HIS A 69 83.128 -1.893 -4.872 1.00 0.00 C ATOM 1102 NE2 HIS A 69 83.478 -0.656 -4.509 1.00 0.00 N ATOM 0 H HIS A 69 80.762 0.358 -10.178 1.00 0.00 H new ATOM 0 HA HIS A 69 83.090 0.741 -8.372 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.723 0.687 -7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 69 80.656 -0.992 -7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 69 82.943 1.260 -5.445 1.00 0.00 H new ATOM 0 HE1 HIS A 69 83.436 -2.787 -4.351 1.00 0.00 H new ATOM 0 HE2 HIS A 69 84.064 -0.384 -3.720 1.00 0.00 H new ATOM 1111 N LYS A 70 84.016 -1.526 -8.900 1.00 0.00 N ATOM 1112 CA LYS A 70 84.650 -2.739 -9.405 1.00 0.00 C ATOM 1113 C LYS A 70 84.140 -3.968 -8.659 1.00 0.00 C ATOM 1114 O LYS A 70 83.948 -3.934 -7.444 1.00 0.00 O ATOM 1115 CB LYS A 70 86.168 -2.634 -9.239 1.00 0.00 C ATOM 1116 CG LYS A 70 86.691 -1.460 -10.069 1.00 0.00 C ATOM 1117 CD LYS A 70 88.219 -1.417 -9.993 1.00 0.00 C ATOM 1118 CE LYS A 70 88.729 -0.157 -10.696 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.622 1.006 -9.769 1.00 0.00 N ATOM 0 H LYS A 70 84.573 -1.004 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 70 84.401 -2.845 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.421 -2.492 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.645 -3.561 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 70 86.371 -1.564 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 70 86.272 -0.524 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 70 88.542 -1.422 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 70 88.642 -2.305 -10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 70 89.765 -0.295 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 70 88.148 0.029 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 88.432 1.870 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 87.845 0.844 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 89.514 1.116 -9.246 1.00 0.00 H new ATOM 1133 N ALA A 71 83.933 -5.054 -9.397 1.00 0.00 N ATOM 1134 CA ALA A 71 83.458 -6.296 -8.800 1.00 0.00 C ATOM 1135 C ALA A 71 83.981 -7.484 -9.596 1.00 0.00 C ATOM 1136 O ALA A 71 83.971 -7.467 -10.826 1.00 0.00 O ATOM 1137 CB ALA A 71 81.929 -6.322 -8.782 1.00 0.00 C ATOM 0 H ALA A 71 84.086 -5.099 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 71 83.826 -6.357 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 71 81.586 -7.255 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.558 -5.480 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.552 -6.250 -9.802 1.00 0.00 H new ATOM 1143 N ILE A 72 84.437 -8.514 -8.893 1.00 0.00 N ATOM 1144 CA ILE A 72 84.960 -9.697 -9.562 1.00 0.00 C ATOM 1145 C ILE A 72 84.280 -10.957 -9.039 1.00 0.00 C ATOM 1146 O ILE A 72 84.128 -11.138 -7.831 1.00 0.00 O ATOM 1147 CB ILE A 72 86.475 -9.788 -9.347 1.00 0.00 C ATOM 1148 CG1 ILE A 72 86.780 -10.165 -7.893 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.114 -8.432 -9.652 1.00 0.00 C ATOM 1150 CD1 ILE A 72 88.294 -10.159 -7.676 1.00 0.00 C ATOM 0 H ILE A 72 84.455 -8.554 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 72 84.753 -9.614 -10.629 1.00 0.00 H new ATOM 0 HB ILE A 72 86.880 -10.551 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 72 86.301 -9.459 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 72 86.373 -11.151 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.191 -8.495 -9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 72 86.909 -8.158 -10.687 1.00 0.00 H new ATOM 0 HG23 ILE A 72 86.697 -7.676 -8.987 1.00 0.00 H new ATOM 0 HD11 ILE A 72 88.515 -10.427 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 72 88.760 -10.882 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 72 88.688 -9.164 -7.885 1.00 0.00 H new ATOM 1162 N GLY A 73 83.864 -11.823 -9.956 1.00 0.00 N ATOM 1163 CA GLY A 73 83.199 -13.058 -9.565 1.00 0.00 C ATOM 1164 C GLY A 73 82.889 -13.930 -10.774 1.00 0.00 C ATOM 1165 O GLY A 73 83.135 -13.539 -11.915 1.00 0.00 O ATOM 0 H GLY A 73 83.974 -11.695 -10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 73 83.832 -13.609 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 73 82.275 -12.824 -9.037 1.00 0.00 H new ATOM 1169 N THR A 74 82.354 -15.117 -10.512 1.00 0.00 N ATOM 1170 CA THR A 74 82.020 -16.048 -11.580 1.00 0.00 C ATOM 1171 C THR A 74 80.669 -15.705 -12.199 1.00 0.00 C ATOM 1172 O THR A 74 79.726 -15.345 -11.494 1.00 0.00 O ATOM 1173 CB THR A 74 81.985 -17.477 -11.033 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.239 -17.785 -10.440 1.00 0.00 O ATOM 1175 CG2 THR A 74 81.705 -18.458 -12.174 1.00 0.00 C ATOM 0 H THR A 74 82.143 -15.455 -9.573 1.00 0.00 H new ATOM 0 HA THR A 74 82.785 -15.970 -12.352 1.00 0.00 H new ATOM 0 HB THR A 74 81.197 -17.560 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.218 -18.699 -10.088 1.00 0.00 H new ATOM 0 HG21 THR A 74 81.681 -19.475 -11.782 1.00 0.00 H new ATOM 0 HG22 THR A 74 80.743 -18.222 -12.629 1.00 0.00 H new ATOM 0 HG23 THR A 74 82.491 -18.377 -12.924 1.00 0.00 H new ATOM 1183 N VAL A 75 80.578 -15.826 -13.521 1.00 0.00 N ATOM 1184 CA VAL A 75 79.327 -15.532 -14.214 1.00 0.00 C ATOM 1185 C VAL A 75 79.063 -16.541 -15.326 1.00 0.00 C ATOM 1186 O VAL A 75 79.708 -16.508 -16.376 1.00 0.00 O ATOM 1187 CB VAL A 75 79.372 -14.124 -14.810 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.773 -13.124 -13.728 1.00 0.00 C ATOM 1189 CG2 VAL A 75 80.394 -14.078 -15.948 1.00 0.00 C ATOM 0 H VAL A 75 81.344 -16.121 -14.127 1.00 0.00 H new ATOM 0 HA VAL A 75 78.520 -15.597 -13.484 1.00 0.00 H new ATOM 0 HB VAL A 75 78.386 -13.866 -15.198 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.805 -12.121 -14.153 1.00 0.00 H new ATOM 0 HG12 VAL A 75 79.044 -13.152 -12.918 1.00 0.00 H new ATOM 0 HG13 VAL A 75 80.757 -13.384 -13.339 1.00 0.00 H new ATOM 0 HG21 VAL A 75 80.423 -13.074 -16.370 1.00 0.00 H new ATOM 0 HG22 VAL A 75 81.380 -14.339 -15.563 1.00 0.00 H new ATOM 0 HG23 VAL A 75 80.108 -14.789 -16.723 1.00 0.00 H new ATOM 1199 N LEU A 76 78.135 -17.458 -15.073 1.00 0.00 N ATOM 1200 CA LEU A 76 77.811 -18.492 -16.046 1.00 0.00 C ATOM 1201 C LEU A 76 77.136 -17.905 -17.281 1.00 0.00 C ATOM 1202 O LEU A 76 76.219 -17.090 -17.181 1.00 0.00 O ATOM 1203 CB LEU A 76 76.876 -19.528 -15.413 1.00 0.00 C ATOM 1204 CG LEU A 76 77.528 -20.120 -14.164 1.00 0.00 C ATOM 1205 CD1 LEU A 76 76.586 -19.957 -12.968 1.00 0.00 C ATOM 1206 CD2 LEU A 76 77.801 -21.608 -14.389 1.00 0.00 C ATOM 0 H LEU A 76 77.597 -17.506 -14.207 1.00 0.00 H new ATOM 0 HA LEU A 76 78.745 -18.963 -16.351 1.00 0.00 H new ATOM 0 HB2 LEU A 76 75.926 -19.062 -15.152 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.657 -20.319 -16.130 1.00 0.00 H new ATOM 0 HG LEU A 76 78.465 -19.600 -13.965 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.052 -20.380 -12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 76 76.385 -18.898 -12.805 1.00 0.00 H new ATOM 0 HD13 LEU A 76 75.649 -20.477 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 76 78.266 -22.031 -13.499 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.862 -22.124 -14.588 1.00 0.00 H new ATOM 0 HD23 LEU A 76 78.470 -21.730 -15.241 1.00 0.00 H new ATOM 1218 N VAL A 77 77.598 -18.343 -18.444 1.00 0.00 N ATOM 1219 CA VAL A 77 77.038 -17.878 -19.705 1.00 0.00 C ATOM 1220 C VAL A 77 76.244 -19.000 -20.361 1.00 0.00 C ATOM 1221 O VAL A 77 76.734 -20.121 -20.496 1.00 0.00 O ATOM 1222 CB VAL A 77 78.153 -17.413 -20.643 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.536 -16.775 -21.888 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.027 -16.386 -19.922 1.00 0.00 C ATOM 0 H VAL A 77 78.357 -19.018 -18.540 1.00 0.00 H new ATOM 0 HA VAL A 77 76.375 -17.036 -19.506 1.00 0.00 H new ATOM 0 HB VAL A 77 78.763 -18.267 -20.937 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.329 -16.443 -22.558 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.911 -17.507 -22.400 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.927 -15.920 -21.595 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.822 -16.053 -20.589 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.417 -15.531 -19.629 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.465 -16.841 -19.033 1.00 0.00 H new ATOM 1234 N GLY A 78 75.011 -18.700 -20.759 1.00 0.00 N ATOM 1235 CA GLY A 78 74.166 -19.708 -21.388 1.00 0.00 C ATOM 1236 C GLY A 78 73.147 -19.076 -22.337 1.00 0.00 C ATOM 1237 O GLY A 78 73.026 -17.854 -22.415 1.00 0.00 O ATOM 0 H GLY A 78 74.580 -17.781 -20.659 1.00 0.00 H new ATOM 0 HA2 GLY A 78 74.788 -20.413 -21.939 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.644 -20.277 -20.619 1.00 0.00 H new ATOM 1241 N PRO A 79 72.428 -19.897 -23.056 1.00 0.00 N ATOM 1242 CA PRO A 79 71.396 -19.440 -24.038 1.00 0.00 C ATOM 1243 C PRO A 79 70.248 -18.666 -23.384 1.00 0.00 C ATOM 1244 O PRO A 79 69.502 -17.960 -24.063 1.00 0.00 O ATOM 1245 CB PRO A 79 70.883 -20.738 -24.673 1.00 0.00 C ATOM 1246 CG PRO A 79 71.262 -21.829 -23.728 1.00 0.00 C ATOM 1247 CD PRO A 79 72.523 -21.362 -23.008 1.00 0.00 C ATOM 0 HA PRO A 79 71.821 -18.743 -24.760 1.00 0.00 H new ATOM 0 HB2 PRO A 79 69.803 -20.703 -24.817 1.00 0.00 H new ATOM 0 HB3 PRO A 79 71.331 -20.897 -25.654 1.00 0.00 H new ATOM 0 HG2 PRO A 79 70.459 -22.022 -23.017 1.00 0.00 H new ATOM 0 HG3 PRO A 79 71.444 -22.760 -24.264 1.00 0.00 H new ATOM 0 HD2 PRO A 79 72.557 -21.728 -21.982 1.00 0.00 H new ATOM 0 HD3 PRO A 79 73.424 -21.721 -23.505 1.00 0.00 H new ATOM 1255 N THR A 80 70.104 -18.811 -22.072 1.00 0.00 N ATOM 1256 CA THR A 80 69.034 -18.130 -21.348 1.00 0.00 C ATOM 1257 C THR A 80 68.877 -16.688 -21.839 1.00 0.00 C ATOM 1258 O THR A 80 69.851 -16.052 -22.234 1.00 0.00 O ATOM 1259 CB THR A 80 69.346 -18.128 -19.852 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.561 -17.135 -19.206 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.829 -17.822 -19.642 1.00 0.00 C ATOM 0 H THR A 80 70.709 -19.390 -21.490 1.00 0.00 H new ATOM 0 HA THR A 80 68.101 -18.663 -21.530 1.00 0.00 H new ATOM 0 HB THR A 80 69.113 -19.106 -19.430 1.00 0.00 H new ATOM 0 HG1 THR A 80 68.759 -17.134 -18.246 1.00 0.00 H new ATOM 0 HG21 THR A 80 71.053 -17.820 -18.575 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.431 -18.583 -20.138 1.00 0.00 H new ATOM 0 HG23 THR A 80 71.062 -16.844 -20.063 1.00 0.00 H new ATOM 1269 N PRO A 81 67.675 -16.165 -21.823 1.00 0.00 N ATOM 1270 CA PRO A 81 67.394 -14.769 -22.282 1.00 0.00 C ATOM 1271 C PRO A 81 68.087 -13.711 -21.421 1.00 0.00 C ATOM 1272 O PRO A 81 68.298 -13.905 -20.224 1.00 0.00 O ATOM 1273 CB PRO A 81 65.870 -14.642 -22.183 1.00 0.00 C ATOM 1274 CG PRO A 81 65.436 -15.710 -21.236 1.00 0.00 C ATOM 1275 CD PRO A 81 66.451 -16.841 -21.363 1.00 0.00 C ATOM 0 HA PRO A 81 67.775 -14.598 -23.289 1.00 0.00 H new ATOM 0 HB2 PRO A 81 65.582 -13.656 -21.819 1.00 0.00 H new ATOM 0 HB3 PRO A 81 65.402 -14.771 -23.159 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.402 -15.332 -20.214 1.00 0.00 H new ATOM 0 HG3 PRO A 81 64.433 -16.060 -21.480 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.607 -17.347 -20.410 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.120 -17.597 -22.075 1.00 0.00 H new ATOM 1283 N VAL A 82 68.428 -12.587 -22.048 1.00 0.00 N ATOM 1284 CA VAL A 82 69.090 -11.486 -21.351 1.00 0.00 C ATOM 1285 C VAL A 82 70.004 -11.996 -20.241 1.00 0.00 C ATOM 1286 O VAL A 82 70.574 -13.083 -20.337 1.00 0.00 O ATOM 1287 CB VAL A 82 68.045 -10.540 -20.754 1.00 0.00 C ATOM 1288 CG1 VAL A 82 68.613 -9.121 -20.690 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.794 -10.544 -21.635 1.00 0.00 C ATOM 0 H VAL A 82 68.257 -12.415 -23.039 1.00 0.00 H new ATOM 0 HA VAL A 82 69.700 -10.952 -22.080 1.00 0.00 H new ATOM 0 HB VAL A 82 67.788 -10.874 -19.749 1.00 0.00 H new ATOM 0 HG11 VAL A 82 67.867 -8.449 -20.265 1.00 0.00 H new ATOM 0 HG12 VAL A 82 69.506 -9.114 -20.065 1.00 0.00 H new ATOM 0 HG13 VAL A 82 68.871 -8.787 -21.695 1.00 0.00 H new ATOM 0 HG21 VAL A 82 66.049 -9.871 -21.211 1.00 0.00 H new ATOM 0 HG22 VAL A 82 67.055 -10.210 -22.639 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.386 -11.554 -21.683 1.00 0.00 H new ATOM 1299 N ASN A 83 70.146 -11.192 -19.193 1.00 0.00 N ATOM 1300 CA ASN A 83 71.003 -11.562 -18.070 1.00 0.00 C ATOM 1301 C ASN A 83 70.226 -11.520 -16.757 1.00 0.00 C ATOM 1302 O ASN A 83 69.289 -10.736 -16.602 1.00 0.00 O ATOM 1303 CB ASN A 83 72.201 -10.611 -17.984 1.00 0.00 C ATOM 1304 CG ASN A 83 72.924 -10.570 -19.325 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.667 -11.403 -20.194 1.00 0.00 O ATOM 1306 ND2 ASN A 83 73.815 -9.643 -19.548 1.00 0.00 N ATOM 0 H ASN A 83 69.684 -10.288 -19.096 1.00 0.00 H new ATOM 0 HA ASN A 83 71.357 -12.579 -18.236 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.864 -9.611 -17.711 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.884 -10.942 -17.202 1.00 0.00 H new ATOM 0 HD21 ASN A 83 74.301 -9.607 -20.444 1.00 0.00 H new ATOM 0 HD22 ASN A 83 74.026 -8.954 -18.826 1.00 0.00 H new ATOM 1313 N ILE A 84 70.631 -12.360 -15.811 1.00 0.00 N ATOM 1314 CA ILE A 84 69.977 -12.406 -14.508 1.00 0.00 C ATOM 1315 C ILE A 84 71.014 -12.246 -13.402 1.00 0.00 C ATOM 1316 O ILE A 84 72.105 -12.808 -13.481 1.00 0.00 O ATOM 1317 CB ILE A 84 69.240 -13.735 -14.334 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.440 -13.707 -13.030 1.00 0.00 C ATOM 1319 CG2 ILE A 84 70.256 -14.877 -14.280 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.429 -14.855 -13.024 1.00 0.00 C ATOM 0 H ILE A 84 71.405 -13.015 -15.921 1.00 0.00 H new ATOM 0 HA ILE A 84 69.257 -11.590 -14.448 1.00 0.00 H new ATOM 0 HB ILE A 84 68.563 -13.888 -15.175 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.113 -13.797 -12.177 1.00 0.00 H new ATOM 0 HG13 ILE A 84 67.923 -12.753 -12.929 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.732 -15.825 -14.156 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.829 -14.898 -15.207 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.932 -14.723 -13.439 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.860 -14.834 -12.095 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.749 -14.745 -13.869 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.957 -15.805 -13.105 1.00 0.00 H new ATOM 1332 N ILE A 85 70.675 -11.473 -12.375 1.00 0.00 N ATOM 1333 CA ILE A 85 71.601 -11.251 -11.269 1.00 0.00 C ATOM 1334 C ILE A 85 71.112 -11.960 -10.010 1.00 0.00 C ATOM 1335 O ILE A 85 69.952 -11.823 -9.620 1.00 0.00 O ATOM 1336 CB ILE A 85 71.733 -9.751 -10.995 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.046 -9.014 -12.301 1.00 0.00 C ATOM 1338 CG2 ILE A 85 72.868 -9.511 -9.997 1.00 0.00 C ATOM 1339 CD1 ILE A 85 73.239 -9.675 -12.994 1.00 0.00 C ATOM 0 H ILE A 85 69.778 -10.995 -12.285 1.00 0.00 H new ATOM 0 HA ILE A 85 72.574 -11.658 -11.545 1.00 0.00 H new ATOM 0 HB ILE A 85 70.796 -9.378 -10.581 1.00 0.00 H new ATOM 0 HG12 ILE A 85 71.176 -9.032 -12.957 1.00 0.00 H new ATOM 0 HG13 ILE A 85 72.268 -7.967 -12.095 1.00 0.00 H new ATOM 0 HG21 ILE A 85 72.961 -8.443 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.649 -10.032 -9.065 1.00 0.00 H new ATOM 0 HG23 ILE A 85 73.803 -9.887 -10.412 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.458 -9.148 -13.922 1.00 0.00 H new ATOM 0 HD12 ILE A 85 74.109 -9.633 -12.339 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.001 -10.715 -13.215 1.00 0.00 H new ATOM 1351 N GLY A 86 72.003 -12.722 -9.383 1.00 0.00 N ATOM 1352 CA GLY A 86 71.649 -13.452 -8.171 1.00 0.00 C ATOM 1353 C GLY A 86 72.139 -12.733 -6.916 1.00 0.00 C ATOM 1354 O GLY A 86 72.800 -11.694 -6.993 1.00 0.00 O ATOM 0 H GLY A 86 72.967 -12.849 -9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.567 -13.573 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.080 -14.452 -8.209 1.00 0.00 H new ATOM 1358 N ARG A 87 71.808 -13.301 -5.761 1.00 0.00 N ATOM 1359 CA ARG A 87 72.210 -12.726 -4.482 1.00 0.00 C ATOM 1360 C ARG A 87 73.728 -12.625 -4.378 1.00 0.00 C ATOM 1361 O ARG A 87 74.252 -11.855 -3.575 1.00 0.00 O ATOM 1362 CB ARG A 87 71.686 -13.586 -3.330 1.00 0.00 C ATOM 1363 CG ARG A 87 70.157 -13.566 -3.323 1.00 0.00 C ATOM 1364 CD ARG A 87 69.647 -14.326 -2.098 1.00 0.00 C ATOM 1365 NE ARG A 87 69.968 -13.592 -0.880 1.00 0.00 N ATOM 1366 CZ ARG A 87 69.374 -13.880 0.273 1.00 0.00 C ATOM 1367 NH1 ARG A 87 68.486 -14.835 0.328 1.00 0.00 N ATOM 1368 NH2 ARG A 87 69.676 -13.209 1.351 1.00 0.00 N ATOM 0 H ARG A 87 71.262 -14.159 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 87 71.785 -11.724 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.045 -14.610 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.068 -13.211 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 87 69.795 -12.538 -3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 87 69.772 -14.022 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 87 68.569 -14.468 -2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.098 -15.318 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 87 70.661 -12.844 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 87 68.249 -15.360 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 87 68.030 -15.057 1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 87 70.369 -12.462 1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 87 69.219 -13.432 2.235 1.00 0.00 H new ATOM 1382 N ASN A 88 74.430 -13.411 -5.185 1.00 0.00 N ATOM 1383 CA ASN A 88 75.887 -13.405 -5.159 1.00 0.00 C ATOM 1384 C ASN A 88 76.444 -12.003 -5.409 1.00 0.00 C ATOM 1385 O ASN A 88 77.103 -11.427 -4.543 1.00 0.00 O ATOM 1386 CB ASN A 88 76.434 -14.378 -6.208 1.00 0.00 C ATOM 1387 CG ASN A 88 76.077 -13.900 -7.612 1.00 0.00 C ATOM 1388 OD1 ASN A 88 75.106 -13.164 -7.790 1.00 0.00 O ATOM 1389 ND2 ASN A 88 76.806 -14.278 -8.625 1.00 0.00 N ATOM 0 H ASN A 88 74.018 -14.055 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 88 76.206 -13.723 -4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 88 77.516 -14.459 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.023 -15.373 -6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 88 76.572 -13.964 -9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 88 77.610 -14.888 -8.475 1.00 0.00 H new ATOM 1396 N LEU A 89 76.189 -11.461 -6.594 1.00 0.00 N ATOM 1397 CA LEU A 89 76.687 -10.132 -6.934 1.00 0.00 C ATOM 1398 C LEU A 89 76.012 -9.053 -6.089 1.00 0.00 C ATOM 1399 O LEU A 89 76.655 -8.084 -5.683 1.00 0.00 O ATOM 1400 CB LEU A 89 76.449 -9.842 -8.419 1.00 0.00 C ATOM 1401 CG LEU A 89 77.092 -10.938 -9.277 1.00 0.00 C ATOM 1402 CD1 LEU A 89 76.990 -10.549 -10.753 1.00 0.00 C ATOM 1403 CD2 LEU A 89 78.568 -11.096 -8.900 1.00 0.00 C ATOM 0 H LEU A 89 75.646 -11.915 -7.329 1.00 0.00 H new ATOM 0 HA LEU A 89 77.757 -10.115 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.379 -9.791 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 89 76.869 -8.871 -8.680 1.00 0.00 H new ATOM 0 HG LEU A 89 76.572 -11.880 -9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 89 77.446 -11.326 -11.366 1.00 0.00 H new ATOM 0 HD12 LEU A 89 75.941 -10.438 -11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 89 77.510 -9.605 -10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 89 79.019 -11.876 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 89 79.090 -10.154 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 89 78.647 -11.370 -7.848 1.00 0.00 H new ATOM 1415 N LEU A 90 74.716 -9.213 -5.834 1.00 0.00 N ATOM 1416 CA LEU A 90 73.986 -8.225 -5.043 1.00 0.00 C ATOM 1417 C LEU A 90 74.568 -8.112 -3.635 1.00 0.00 C ATOM 1418 O LEU A 90 74.620 -7.023 -3.065 1.00 0.00 O ATOM 1419 CB LEU A 90 72.506 -8.602 -4.960 1.00 0.00 C ATOM 1420 CG LEU A 90 71.911 -8.681 -6.370 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.424 -9.024 -6.276 1.00 0.00 C ATOM 1422 CD2 LEU A 90 72.073 -7.330 -7.073 1.00 0.00 C ATOM 0 H LEU A 90 74.157 -10.003 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 90 74.085 -7.259 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.393 -9.561 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.966 -7.863 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 90 72.431 -9.452 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 90 70.000 -9.080 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.303 -9.985 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.908 -8.251 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.649 -7.388 -8.076 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.554 -6.559 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 90 73.132 -7.080 -7.141 1.00 0.00 H new ATOM 1434 N THR A 91 75.008 -9.238 -3.079 1.00 0.00 N ATOM 1435 CA THR A 91 75.585 -9.234 -1.737 1.00 0.00 C ATOM 1436 C THR A 91 76.794 -8.306 -1.679 1.00 0.00 C ATOM 1437 O THR A 91 77.001 -7.603 -0.690 1.00 0.00 O ATOM 1438 CB THR A 91 76.007 -10.650 -1.335 1.00 0.00 C ATOM 1439 OG1 THR A 91 74.883 -11.515 -1.400 1.00 0.00 O ATOM 1440 CG2 THR A 91 76.558 -10.632 0.092 1.00 0.00 C ATOM 0 H THR A 91 74.977 -10.153 -3.529 1.00 0.00 H new ATOM 0 HA THR A 91 74.827 -8.875 -1.041 1.00 0.00 H new ATOM 0 HB THR A 91 76.779 -11.007 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 91 74.828 -11.914 -2.294 1.00 0.00 H new ATOM 0 HG21 THR A 91 76.859 -11.640 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 91 77.421 -9.968 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 91 75.787 -10.275 0.775 1.00 0.00 H new ATOM 1448 N GLN A 92 77.589 -8.310 -2.746 1.00 0.00 N ATOM 1449 CA GLN A 92 78.776 -7.465 -2.806 1.00 0.00 C ATOM 1450 C GLN A 92 78.404 -6.002 -2.583 1.00 0.00 C ATOM 1451 O GLN A 92 79.122 -5.267 -1.906 1.00 0.00 O ATOM 1452 CB GLN A 92 79.460 -7.622 -4.167 1.00 0.00 C ATOM 1453 CG GLN A 92 80.795 -6.871 -4.163 1.00 0.00 C ATOM 1454 CD GLN A 92 81.803 -7.602 -3.282 1.00 0.00 C ATOM 1455 OE1 GLN A 92 82.127 -8.761 -3.540 1.00 0.00 O ATOM 1456 NE2 GLN A 92 82.322 -6.991 -2.253 1.00 0.00 N ATOM 0 H GLN A 92 77.434 -8.885 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 92 79.462 -7.776 -2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.626 -8.678 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.816 -7.234 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.179 -6.791 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.649 -5.855 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 92 82.052 -6.030 -2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 92 82.998 -7.474 -1.661 1.00 0.00 H new ATOM 1465 N ILE A 93 77.276 -5.589 -3.151 1.00 0.00 N ATOM 1466 CA ILE A 93 76.817 -4.213 -2.998 1.00 0.00 C ATOM 1467 C ILE A 93 75.819 -4.107 -1.851 1.00 0.00 C ATOM 1468 O ILE A 93 76.151 -3.624 -0.769 1.00 0.00 O ATOM 1469 CB ILE A 93 76.173 -3.721 -4.298 1.00 0.00 C ATOM 1470 CG1 ILE A 93 77.256 -3.524 -5.363 1.00 0.00 C ATOM 1471 CG2 ILE A 93 75.463 -2.390 -4.045 1.00 0.00 C ATOM 1472 CD1 ILE A 93 76.597 -3.234 -6.713 1.00 0.00 C ATOM 0 H ILE A 93 76.668 -6.181 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 93 77.679 -3.586 -2.770 1.00 0.00 H new ATOM 0 HB ILE A 93 75.450 -4.459 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 93 77.912 -2.700 -5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 93 77.878 -4.416 -5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 93 75.005 -2.040 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 93 74.691 -2.527 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 93 76.186 -1.652 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 93 77.367 -3.094 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 93 75.959 -4.072 -6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 93 75.994 -2.329 -6.637 1.00 0.00 H new ATOM 1484 N GLY A 94 74.594 -4.565 -2.094 1.00 0.00 N ATOM 1485 CA GLY A 94 73.557 -4.518 -1.069 1.00 0.00 C ATOM 1486 C GLY A 94 72.863 -3.161 -1.055 1.00 0.00 C ATOM 1487 O GLY A 94 72.931 -2.406 -2.025 1.00 0.00 O ATOM 0 H GLY A 94 74.297 -4.969 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 94 72.824 -5.303 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 94 73.998 -4.715 -0.092 1.00 0.00 H new ATOM 1491 N ALA A 95 72.193 -2.858 0.053 1.00 0.00 N ATOM 1492 CA ALA A 95 71.487 -1.590 0.186 1.00 0.00 C ATOM 1493 C ALA A 95 70.438 -1.443 -0.911 1.00 0.00 C ATOM 1494 O ALA A 95 69.403 -2.080 -0.803 1.00 0.00 O ATOM 1495 CB ALA A 95 72.478 -0.428 0.104 1.00 0.00 C ATOM 1496 OXT ALA A 95 70.686 -0.697 -1.843 1.00 0.00 O ATOM 0 H ALA A 95 72.125 -3.470 0.866 1.00 0.00 H new ATOM 0 HA ALA A 95 70.989 -1.574 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 95 71.942 0.516 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 95 73.210 -0.517 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 95 72.990 -0.454 -0.858 1.00 0.00 H new TER 1502 ALA A 95