USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=16 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 45 LYS NZ :NH3+ 158:sc= 0.455 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= -2.48! C(o=-2!,f=-17!) USER MOD Set 2.1: A 18 GLN : amide:sc= 0.845 K(o=2.8,f=-8.5!) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -161:sc= 0.805 (180deg=-0.529) USER MOD Set 2.3: A 37 SER OG : rot 69:sc= 1.13 USER MOD Set 3.1: A 31 THR OG1 : rot -170:sc= 0.335 USER MOD Set 3.2: A 88 ASN : amide:sc= -7.33! C(o=-7!,f=-15!) USER MOD Single : A 2 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -0.171 (180deg=-0.888) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -124:sc= -0.853 (180deg=-3.41!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= -0.919 (180deg=-1.09) USER MOD Single : A 46 MET CE :methyl -149:sc= -0.211 (180deg=-1.47!) USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= -0.185 (180deg=-1.26!) USER MOD Single : A 59 TYR OH : rot -45:sc= 1.23 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc=-0.00168 X(o=-0.0017,f=-0.029) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 83 ASN : amide:sc= -10.6! C(o=-11!,f=-4.3!) USER MOD Single : A 91 THR OG1 : rot -85:sc= 0.885 USER MOD Single : A 92 GLN : amide:sc= -0.315 K(o=-0.32,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 50.622 3.786 -9.140 1.00 0.00 N ATOM 2 CA PRO A 1 50.169 4.086 -10.520 1.00 0.00 C ATOM 3 C PRO A 1 50.051 5.597 -10.700 1.00 0.00 C ATOM 4 O PRO A 1 49.548 6.073 -11.717 1.00 0.00 O ATOM 5 CB PRO A 1 48.811 3.423 -10.733 1.00 0.00 C ATOM 6 CG PRO A 1 48.591 2.577 -9.518 1.00 0.00 C ATOM 7 CD PRO A 1 49.512 3.114 -8.410 1.00 0.00 C ATOM 0 H2 PRO A 1 50.891 4.646 -8.661 1.00 0.00 H new ATOM 0 H3 PRO A 1 51.446 3.186 -9.161 1.00 0.00 H new ATOM 0 HA PRO A 1 50.885 3.704 -11.248 1.00 0.00 H new ATOM 0 HB2 PRO A 1 48.022 4.167 -10.842 1.00 0.00 H new ATOM 0 HB3 PRO A 1 48.806 2.818 -11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 1 47.548 2.620 -9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 1 48.817 1.532 -9.732 1.00 0.00 H new ATOM 0 HD2 PRO A 1 48.985 3.812 -7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 1 49.884 2.308 -7.778 1.00 0.00 H new ATOM 17 N GLN A 2 50.517 6.343 -9.704 1.00 0.00 N ATOM 18 CA GLN A 2 50.457 7.801 -9.758 1.00 0.00 C ATOM 19 C GLN A 2 51.158 8.327 -11.007 1.00 0.00 C ATOM 20 O GLN A 2 50.725 9.314 -11.602 1.00 0.00 O ATOM 21 CB GLN A 2 51.115 8.397 -8.511 1.00 0.00 C ATOM 22 CG GLN A 2 50.832 9.899 -8.455 1.00 0.00 C ATOM 23 CD GLN A 2 49.370 10.139 -8.088 1.00 0.00 C ATOM 24 OE1 GLN A 2 48.950 9.822 -6.977 1.00 0.00 O ATOM 25 NE2 GLN A 2 48.568 10.679 -8.964 1.00 0.00 N ATOM 0 H GLN A 2 50.938 5.966 -8.855 1.00 0.00 H new ATOM 0 HA GLN A 2 49.409 8.099 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 2 50.730 7.910 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.190 8.219 -8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.483 10.373 -7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 2 51.054 10.356 -9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 2 48.920 10.941 -9.885 1.00 0.00 H new ATOM 0 HE22 GLN A 2 47.589 10.840 -8.728 1.00 0.00 H new ATOM 34 N ILE A 3 52.241 7.664 -11.400 1.00 0.00 N ATOM 35 CA ILE A 3 52.990 8.082 -12.581 1.00 0.00 C ATOM 36 C ILE A 3 52.970 6.989 -13.648 1.00 0.00 C ATOM 37 O ILE A 3 52.895 5.800 -13.335 1.00 0.00 O ATOM 38 CB ILE A 3 54.434 8.408 -12.188 1.00 0.00 C ATOM 39 CG1 ILE A 3 55.105 7.158 -11.614 1.00 0.00 C ATOM 40 CG2 ILE A 3 54.437 9.514 -11.132 1.00 0.00 C ATOM 41 CD1 ILE A 3 56.584 7.449 -11.351 1.00 0.00 C ATOM 0 H ILE A 3 52.617 6.844 -10.924 1.00 0.00 H new ATOM 0 HA ILE A 3 52.519 8.973 -12.996 1.00 0.00 H new ATOM 0 HB ILE A 3 54.981 8.742 -13.070 1.00 0.00 H new ATOM 0 HG12 ILE A 3 54.612 6.860 -10.689 1.00 0.00 H new ATOM 0 HG13 ILE A 3 55.005 6.326 -12.311 1.00 0.00 H new ATOM 0 HG21 ILE A 3 55.464 9.747 -10.852 1.00 0.00 H new ATOM 0 HG22 ILE A 3 53.961 10.406 -11.538 1.00 0.00 H new ATOM 0 HG23 ILE A 3 53.888 9.178 -10.252 1.00 0.00 H new ATOM 0 HD11 ILE A 3 57.063 6.559 -10.942 1.00 0.00 H new ATOM 0 HD12 ILE A 3 57.072 7.727 -12.285 1.00 0.00 H new ATOM 0 HD13 ILE A 3 56.672 8.269 -10.638 1.00 0.00 H new ATOM 53 N THR A 4 53.026 7.404 -14.911 1.00 0.00 N ATOM 54 CA THR A 4 53.003 6.460 -16.025 1.00 0.00 C ATOM 55 C THR A 4 54.220 5.537 -16.004 1.00 0.00 C ATOM 56 O THR A 4 54.108 4.345 -16.291 1.00 0.00 O ATOM 57 CB THR A 4 52.968 7.223 -17.352 1.00 0.00 C ATOM 58 OG1 THR A 4 51.873 8.126 -17.349 1.00 0.00 O ATOM 59 CG2 THR A 4 52.814 6.233 -18.508 1.00 0.00 C ATOM 0 H THR A 4 53.087 8.384 -15.188 1.00 0.00 H new ATOM 0 HA THR A 4 52.108 5.847 -15.923 1.00 0.00 H new ATOM 0 HB THR A 4 53.897 7.780 -17.476 1.00 0.00 H new ATOM 0 HG1 THR A 4 51.851 8.616 -18.197 1.00 0.00 H new ATOM 0 HG21 THR A 4 52.789 6.777 -19.452 1.00 0.00 H new ATOM 0 HG22 THR A 4 53.657 5.542 -18.510 1.00 0.00 H new ATOM 0 HG23 THR A 4 51.886 5.674 -18.387 1.00 0.00 H new ATOM 67 N LEU A 5 55.382 6.095 -15.678 1.00 0.00 N ATOM 68 CA LEU A 5 56.613 5.308 -15.642 1.00 0.00 C ATOM 69 C LEU A 5 56.715 4.511 -14.346 1.00 0.00 C ATOM 70 O LEU A 5 55.827 4.567 -13.498 1.00 0.00 O ATOM 71 CB LEU A 5 57.830 6.228 -15.766 1.00 0.00 C ATOM 72 CG LEU A 5 57.438 7.655 -15.381 1.00 0.00 C ATOM 73 CD1 LEU A 5 58.697 8.458 -15.050 1.00 0.00 C ATOM 74 CD2 LEU A 5 56.707 8.316 -16.550 1.00 0.00 C ATOM 0 H LEU A 5 55.498 7.079 -15.437 1.00 0.00 H new ATOM 0 HA LEU A 5 56.591 4.613 -16.481 1.00 0.00 H new ATOM 0 HB2 LEU A 5 58.633 5.874 -15.119 1.00 0.00 H new ATOM 0 HB3 LEU A 5 58.211 6.208 -16.787 1.00 0.00 H new ATOM 0 HG LEU A 5 56.783 7.629 -14.510 1.00 0.00 H new ATOM 0 HD11 LEU A 5 58.418 9.475 -14.776 1.00 0.00 H new ATOM 0 HD12 LEU A 5 59.220 7.988 -14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 5 59.352 8.484 -15.921 1.00 0.00 H new ATOM 0 HD21 LEU A 5 56.427 9.333 -16.276 1.00 0.00 H new ATOM 0 HD22 LEU A 5 57.362 8.342 -17.421 1.00 0.00 H new ATOM 0 HD23 LEU A 5 55.810 7.745 -16.788 1.00 0.00 H new ATOM 86 N TRP A 6 57.811 3.769 -14.201 1.00 0.00 N ATOM 87 CA TRP A 6 58.026 2.966 -13.003 1.00 0.00 C ATOM 88 C TRP A 6 58.771 3.786 -11.953 1.00 0.00 C ATOM 89 O TRP A 6 59.703 4.522 -12.275 1.00 0.00 O ATOM 90 CB TRP A 6 58.835 1.713 -13.344 1.00 0.00 C ATOM 91 CG TRP A 6 58.087 0.872 -14.333 1.00 0.00 C ATOM 92 CD1 TRP A 6 56.867 1.159 -14.844 1.00 0.00 C ATOM 93 CD2 TRP A 6 58.493 -0.392 -14.935 1.00 0.00 C ATOM 94 NE1 TRP A 6 56.501 0.154 -15.720 1.00 0.00 N ATOM 95 CE2 TRP A 6 57.470 -0.825 -15.809 1.00 0.00 C ATOM 96 CE3 TRP A 6 59.640 -1.197 -14.807 1.00 0.00 C ATOM 97 CZ2 TRP A 6 57.579 -2.013 -16.533 1.00 0.00 C ATOM 98 CZ3 TRP A 6 59.754 -2.394 -15.533 1.00 0.00 C ATOM 99 CH2 TRP A 6 58.724 -2.801 -16.394 1.00 0.00 C ATOM 0 H TRP A 6 58.558 3.708 -14.893 1.00 0.00 H new ATOM 0 HA TRP A 6 57.056 2.666 -12.605 1.00 0.00 H new ATOM 0 HB2 TRP A 6 59.804 1.997 -13.755 1.00 0.00 H new ATOM 0 HB3 TRP A 6 59.029 1.138 -12.439 1.00 0.00 H new ATOM 0 HD1 TRP A 6 56.276 2.031 -14.606 1.00 0.00 H new ATOM 0 HE1 TRP A 6 55.622 0.138 -16.237 1.00 0.00 H new ATOM 0 HE3 TRP A 6 60.438 -0.892 -14.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 56.784 -2.321 -17.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 60.639 -3.004 -15.428 1.00 0.00 H new ATOM 0 HH2 TRP A 6 58.816 -3.723 -16.949 1.00 0.00 H new ATOM 110 N LYS A 7 58.345 3.660 -10.702 1.00 0.00 N ATOM 111 CA LYS A 7 58.969 4.403 -9.612 1.00 0.00 C ATOM 112 C LYS A 7 60.458 4.080 -9.507 1.00 0.00 C ATOM 113 O LYS A 7 61.276 4.966 -9.258 1.00 0.00 O ATOM 114 CB LYS A 7 58.278 4.066 -8.291 1.00 0.00 C ATOM 115 CG LYS A 7 58.799 4.994 -7.191 1.00 0.00 C ATOM 116 CD LYS A 7 58.146 4.624 -5.858 1.00 0.00 C ATOM 117 CE LYS A 7 58.478 5.691 -4.815 1.00 0.00 C ATOM 118 NZ LYS A 7 57.893 6.995 -5.239 1.00 0.00 N ATOM 0 H LYS A 7 57.575 3.055 -10.417 1.00 0.00 H new ATOM 0 HA LYS A 7 58.861 5.467 -9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 7 57.199 4.177 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 7 58.467 3.026 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 7 59.883 4.910 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 7 58.577 6.032 -7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 7 57.066 4.543 -5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 7 58.503 3.650 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 7 58.081 5.401 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 7 59.558 5.783 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 57.719 7.586 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 58.556 7.483 -5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 56.996 6.827 -5.737 1.00 0.00 H new ATOM 132 N ARG A 8 60.805 2.810 -9.690 1.00 0.00 N ATOM 133 CA ARG A 8 62.201 2.396 -9.603 1.00 0.00 C ATOM 134 C ARG A 8 62.928 2.657 -10.930 1.00 0.00 C ATOM 135 O ARG A 8 62.409 2.326 -11.996 1.00 0.00 O ATOM 136 CB ARG A 8 62.280 0.906 -9.264 1.00 0.00 C ATOM 137 CG ARG A 8 61.226 0.143 -10.067 1.00 0.00 C ATOM 138 CD ARG A 8 60.000 -0.113 -9.189 1.00 0.00 C ATOM 139 NE ARG A 8 58.854 -0.469 -10.015 1.00 0.00 N ATOM 140 CZ ARG A 8 57.774 -1.034 -9.486 1.00 0.00 C ATOM 141 NH1 ARG A 8 57.729 -1.279 -8.205 1.00 0.00 N ATOM 142 NH2 ARG A 8 56.761 -1.343 -10.246 1.00 0.00 N ATOM 0 H ARG A 8 60.148 2.058 -9.897 1.00 0.00 H new ATOM 0 HA ARG A 8 62.684 2.977 -8.818 1.00 0.00 H new ATOM 0 HB2 ARG A 8 63.274 0.523 -9.493 1.00 0.00 H new ATOM 0 HB3 ARG A 8 62.118 0.756 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 8 60.941 0.716 -10.949 1.00 0.00 H new ATOM 0 HG3 ARG A 8 61.637 -0.803 -10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 8 60.211 -0.916 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 8 59.772 0.777 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 8 58.881 -0.281 -11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 8 58.522 -1.037 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 8 56.901 -1.713 -7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.797 -1.151 -11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 8 55.932 -1.777 -9.840 1.00 0.00 H new ATOM 156 N PRO A 9 64.111 3.234 -10.895 1.00 0.00 N ATOM 157 CA PRO A 9 64.897 3.523 -12.130 1.00 0.00 C ATOM 158 C PRO A 9 65.494 2.257 -12.739 1.00 0.00 C ATOM 159 O PRO A 9 65.648 1.244 -12.056 1.00 0.00 O ATOM 160 CB PRO A 9 66.001 4.464 -11.650 1.00 0.00 C ATOM 161 CG PRO A 9 66.190 4.140 -10.207 1.00 0.00 C ATOM 162 CD PRO A 9 64.833 3.671 -9.685 1.00 0.00 C ATOM 0 HA PRO A 9 64.276 3.954 -12.916 1.00 0.00 H new ATOM 0 HB2 PRO A 9 66.922 4.310 -12.212 1.00 0.00 H new ATOM 0 HB3 PRO A 9 65.716 5.507 -11.785 1.00 0.00 H new ATOM 0 HG2 PRO A 9 66.944 3.363 -10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 9 66.537 5.014 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 9 64.942 2.856 -8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 9 64.303 4.475 -9.174 1.00 0.00 H new ATOM 170 N LEU A 10 65.837 2.323 -14.020 1.00 0.00 N ATOM 171 CA LEU A 10 66.425 1.175 -14.699 1.00 0.00 C ATOM 172 C LEU A 10 67.909 1.072 -14.365 1.00 0.00 C ATOM 173 O LEU A 10 68.567 2.080 -14.111 1.00 0.00 O ATOM 174 CB LEU A 10 66.251 1.309 -16.214 1.00 0.00 C ATOM 175 CG LEU A 10 64.773 1.513 -16.551 1.00 0.00 C ATOM 176 CD1 LEU A 10 64.596 1.524 -18.071 1.00 0.00 C ATOM 177 CD2 LEU A 10 63.948 0.372 -15.952 1.00 0.00 C ATOM 0 H LEU A 10 65.720 3.151 -14.605 1.00 0.00 H new ATOM 0 HA LEU A 10 65.916 0.273 -14.359 1.00 0.00 H new ATOM 0 HB2 LEU A 10 66.837 2.151 -16.583 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.627 0.416 -16.713 1.00 0.00 H new ATOM 0 HG LEU A 10 64.434 2.462 -16.136 1.00 0.00 H new ATOM 0 HD11 LEU A 10 63.543 1.669 -18.314 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.183 2.336 -18.500 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.936 0.574 -18.484 1.00 0.00 H new ATOM 0 HD21 LEU A 10 62.895 0.519 -16.193 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.286 -0.578 -16.366 1.00 0.00 H new ATOM 0 HD23 LEU A 10 64.074 0.361 -14.869 1.00 0.00 H new ATOM 189 N VAL A 11 68.427 -0.152 -14.361 1.00 0.00 N ATOM 190 CA VAL A 11 69.834 -0.370 -14.049 1.00 0.00 C ATOM 191 C VAL A 11 70.516 -1.159 -15.161 1.00 0.00 C ATOM 192 O VAL A 11 69.937 -2.088 -15.724 1.00 0.00 O ATOM 193 CB VAL A 11 69.961 -1.132 -12.729 1.00 0.00 C ATOM 194 CG1 VAL A 11 69.355 -2.529 -12.883 1.00 0.00 C ATOM 195 CG2 VAL A 11 71.438 -1.258 -12.353 1.00 0.00 C ATOM 0 H VAL A 11 67.899 -1.000 -14.568 1.00 0.00 H new ATOM 0 HA VAL A 11 70.321 0.601 -13.959 1.00 0.00 H new ATOM 0 HB VAL A 11 69.430 -0.590 -11.946 1.00 0.00 H new ATOM 0 HG11 VAL A 11 69.446 -3.071 -11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 11 68.302 -2.441 -13.151 1.00 0.00 H new ATOM 0 HG13 VAL A 11 69.885 -3.071 -13.666 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.529 -1.801 -11.412 1.00 0.00 H new ATOM 0 HG22 VAL A 11 71.968 -1.799 -13.137 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.871 -0.264 -12.241 1.00 0.00 H new ATOM 205 N THR A 12 71.754 -0.785 -15.466 1.00 0.00 N ATOM 206 CA THR A 12 72.514 -1.467 -16.506 1.00 0.00 C ATOM 207 C THR A 12 73.902 -1.836 -15.996 1.00 0.00 C ATOM 208 O THR A 12 74.371 -1.291 -14.997 1.00 0.00 O ATOM 209 CB THR A 12 72.637 -0.568 -17.739 1.00 0.00 C ATOM 210 OG1 THR A 12 73.559 0.478 -17.470 1.00 0.00 O ATOM 211 CG2 THR A 12 71.269 0.027 -18.076 1.00 0.00 C ATOM 0 H THR A 12 72.250 -0.018 -15.011 1.00 0.00 H new ATOM 0 HA THR A 12 71.986 -2.381 -16.779 1.00 0.00 H new ATOM 0 HB THR A 12 72.993 -1.156 -18.585 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.640 1.053 -18.259 1.00 0.00 H new ATOM 0 HG21 THR A 12 71.357 0.667 -18.954 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.563 -0.778 -18.283 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.911 0.616 -17.232 1.00 0.00 H new ATOM 219 N ILE A 13 74.555 -2.763 -16.689 1.00 0.00 N ATOM 220 CA ILE A 13 75.892 -3.196 -16.292 1.00 0.00 C ATOM 221 C ILE A 13 76.886 -3.002 -17.433 1.00 0.00 C ATOM 222 O ILE A 13 76.501 -2.932 -18.601 1.00 0.00 O ATOM 223 CB ILE A 13 75.858 -4.669 -15.874 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.472 -5.545 -17.073 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.826 -4.856 -14.760 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.558 -7.022 -16.679 1.00 0.00 C ATOM 0 H ILE A 13 74.186 -3.225 -17.520 1.00 0.00 H new ATOM 0 HA ILE A 13 76.216 -2.588 -15.448 1.00 0.00 H new ATOM 0 HB ILE A 13 76.845 -4.962 -15.518 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.461 -5.304 -17.402 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.137 -5.343 -17.913 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.800 -5.904 -14.461 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.100 -4.240 -13.903 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.842 -4.557 -15.122 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.283 -7.643 -17.532 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.577 -7.258 -16.372 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.875 -7.218 -15.853 1.00 0.00 H new ATOM 238 N LYS A 14 78.168 -2.927 -17.089 1.00 0.00 N ATOM 239 CA LYS A 14 79.211 -2.754 -18.094 1.00 0.00 C ATOM 240 C LYS A 14 80.292 -3.814 -17.918 1.00 0.00 C ATOM 241 O LYS A 14 80.907 -3.913 -16.858 1.00 0.00 O ATOM 242 CB LYS A 14 79.834 -1.360 -17.977 1.00 0.00 C ATOM 243 CG LYS A 14 78.777 -0.300 -18.294 1.00 0.00 C ATOM 244 CD LYS A 14 79.428 1.086 -18.285 1.00 0.00 C ATOM 245 CE LYS A 14 78.356 2.156 -18.502 1.00 0.00 C ATOM 246 NZ LYS A 14 78.210 2.421 -19.962 1.00 0.00 N ATOM 0 H LYS A 14 78.508 -2.983 -16.129 1.00 0.00 H new ATOM 0 HA LYS A 14 78.762 -2.862 -19.081 1.00 0.00 H new ATOM 0 HB2 LYS A 14 80.226 -1.209 -16.971 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.675 -1.267 -18.664 1.00 0.00 H new ATOM 0 HG2 LYS A 14 78.329 -0.497 -19.268 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.973 -0.341 -17.559 1.00 0.00 H new ATOM 0 HD2 LYS A 14 79.937 1.254 -17.336 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.184 1.149 -19.068 1.00 0.00 H new ATOM 0 HE2 LYS A 14 77.405 1.824 -18.084 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.631 3.073 -17.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.356 3.434 -20.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.916 1.867 -20.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.256 2.147 -20.271 1.00 0.00 H new ATOM 260 N ILE A 15 80.521 -4.607 -18.961 1.00 0.00 N ATOM 261 CA ILE A 15 81.535 -5.653 -18.892 1.00 0.00 C ATOM 262 C ILE A 15 82.470 -5.593 -20.096 1.00 0.00 C ATOM 263 O ILE A 15 82.037 -5.749 -21.238 1.00 0.00 O ATOM 264 CB ILE A 15 80.862 -7.024 -18.838 1.00 0.00 C ATOM 265 CG1 ILE A 15 79.918 -7.080 -17.635 1.00 0.00 C ATOM 266 CG2 ILE A 15 81.931 -8.110 -18.700 1.00 0.00 C ATOM 267 CD1 ILE A 15 79.104 -8.375 -17.678 1.00 0.00 C ATOM 0 H ILE A 15 80.026 -4.547 -19.851 1.00 0.00 H new ATOM 0 HA ILE A 15 82.124 -5.495 -17.989 1.00 0.00 H new ATOM 0 HB ILE A 15 80.294 -7.188 -19.754 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.490 -7.029 -16.709 1.00 0.00 H new ATOM 0 HG13 ILE A 15 79.250 -6.219 -17.644 1.00 0.00 H new ATOM 0 HG21 ILE A 15 81.453 -9.089 -18.661 1.00 0.00 H new ATOM 0 HG22 ILE A 15 82.604 -8.069 -19.556 1.00 0.00 H new ATOM 0 HG23 ILE A 15 82.499 -7.947 -17.784 1.00 0.00 H new ATOM 0 HD11 ILE A 15 78.433 -8.412 -16.820 1.00 0.00 H new ATOM 0 HD12 ILE A 15 78.519 -8.407 -18.597 1.00 0.00 H new ATOM 0 HD13 ILE A 15 79.779 -9.230 -17.647 1.00 0.00 H new ATOM 279 N GLY A 16 83.756 -5.375 -19.836 1.00 0.00 N ATOM 280 CA GLY A 16 84.741 -5.309 -20.908 1.00 0.00 C ATOM 281 C GLY A 16 84.660 -3.981 -21.650 1.00 0.00 C ATOM 282 O GLY A 16 85.321 -3.789 -22.670 1.00 0.00 O ATOM 0 H GLY A 16 84.137 -5.242 -18.899 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.741 -5.437 -20.495 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.577 -6.129 -21.607 1.00 0.00 H new ATOM 286 N GLY A 17 83.839 -3.071 -21.139 1.00 0.00 N ATOM 287 CA GLY A 17 83.673 -1.769 -21.773 1.00 0.00 C ATOM 288 C GLY A 17 82.445 -1.764 -22.676 1.00 0.00 C ATOM 289 O GLY A 17 82.239 -0.836 -23.457 1.00 0.00 O ATOM 0 H GLY A 17 83.283 -3.209 -20.295 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.573 -0.997 -21.010 1.00 0.00 H new ATOM 0 HA3 GLY A 17 84.561 -1.527 -22.357 1.00 0.00 H new ATOM 293 N GLN A 18 81.630 -2.809 -22.559 1.00 0.00 N ATOM 294 CA GLN A 18 80.419 -2.917 -23.364 1.00 0.00 C ATOM 295 C GLN A 18 79.192 -2.612 -22.511 1.00 0.00 C ATOM 296 O GLN A 18 79.169 -2.916 -21.318 1.00 0.00 O ATOM 297 CB GLN A 18 80.304 -4.329 -23.942 1.00 0.00 C ATOM 298 CG GLN A 18 81.494 -4.601 -24.864 1.00 0.00 C ATOM 299 CD GLN A 18 81.423 -6.028 -25.399 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.674 -6.853 -24.876 1.00 0.00 O ATOM 301 NE2 GLN A 18 82.166 -6.371 -26.416 1.00 0.00 N ATOM 0 H GLN A 18 81.785 -3.588 -21.919 1.00 0.00 H new ATOM 0 HA GLN A 18 80.474 -2.196 -24.179 1.00 0.00 H new ATOM 0 HB2 GLN A 18 80.280 -5.063 -23.136 1.00 0.00 H new ATOM 0 HB3 GLN A 18 79.371 -4.432 -24.495 1.00 0.00 H new ATOM 0 HG2 GLN A 18 81.492 -3.893 -25.692 1.00 0.00 H new ATOM 0 HG3 GLN A 18 82.427 -4.453 -24.320 1.00 0.00 H new ATOM 0 HE21 GLN A 18 82.786 -5.686 -26.848 1.00 0.00 H new ATOM 0 HE22 GLN A 18 82.126 -7.324 -26.778 1.00 0.00 H new ATOM 310 N LEU A 19 78.177 -2.009 -23.122 1.00 0.00 N ATOM 311 CA LEU A 19 76.958 -1.669 -22.394 1.00 0.00 C ATOM 312 C LEU A 19 75.923 -2.779 -22.535 1.00 0.00 C ATOM 313 O LEU A 19 75.582 -3.187 -23.646 1.00 0.00 O ATOM 314 CB LEU A 19 76.376 -0.359 -22.930 1.00 0.00 C ATOM 315 CG LEU A 19 77.381 0.777 -22.711 1.00 0.00 C ATOM 316 CD1 LEU A 19 78.593 0.588 -23.629 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.706 2.113 -23.027 1.00 0.00 C ATOM 0 H LEU A 19 78.172 -1.748 -24.108 1.00 0.00 H new ATOM 0 HA LEU A 19 77.209 -1.551 -21.340 1.00 0.00 H new ATOM 0 HB2 LEU A 19 76.149 -0.458 -23.991 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.438 -0.131 -22.423 1.00 0.00 H new ATOM 0 HG LEU A 19 77.716 0.768 -21.674 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.302 1.400 -23.467 1.00 0.00 H new ATOM 0 HD12 LEU A 19 79.074 -0.364 -23.405 1.00 0.00 H new ATOM 0 HD13 LEU A 19 78.266 0.594 -24.669 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.417 2.925 -22.873 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.372 2.115 -24.064 1.00 0.00 H new ATOM 0 HD23 LEU A 19 75.848 2.252 -22.369 1.00 0.00 H new ATOM 329 N LYS A 20 75.427 -3.263 -21.402 1.00 0.00 N ATOM 330 CA LYS A 20 74.431 -4.329 -21.407 1.00 0.00 C ATOM 331 C LYS A 20 73.356 -4.069 -20.358 1.00 0.00 C ATOM 332 O LYS A 20 73.571 -3.314 -19.409 1.00 0.00 O ATOM 333 CB LYS A 20 75.107 -5.674 -21.132 1.00 0.00 C ATOM 334 CG LYS A 20 76.105 -5.977 -22.250 1.00 0.00 C ATOM 335 CD LYS A 20 76.689 -7.377 -22.054 1.00 0.00 C ATOM 336 CE LYS A 20 77.784 -7.621 -23.094 1.00 0.00 C ATOM 337 NZ LYS A 20 79.112 -7.288 -22.505 1.00 0.00 N ATOM 0 H LYS A 20 75.696 -2.937 -20.474 1.00 0.00 H new ATOM 0 HA LYS A 20 73.959 -4.354 -22.389 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.619 -5.647 -20.170 1.00 0.00 H new ATOM 0 HB3 LYS A 20 74.359 -6.464 -21.073 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.611 -5.911 -23.219 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.904 -5.236 -22.248 1.00 0.00 H new ATOM 0 HD2 LYS A 20 77.099 -7.475 -21.049 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.905 -8.127 -22.153 1.00 0.00 H new ATOM 0 HE2 LYS A 20 77.768 -8.662 -23.417 1.00 0.00 H new ATOM 0 HE3 LYS A 20 77.603 -7.010 -23.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 79.803 -7.140 -23.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.032 -6.421 -21.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.429 -8.071 -21.899 1.00 0.00 H new ATOM 351 N GLU A 21 72.205 -4.712 -20.525 1.00 0.00 N ATOM 352 CA GLU A 21 71.109 -4.554 -19.576 1.00 0.00 C ATOM 353 C GLU A 21 70.871 -5.865 -18.834 1.00 0.00 C ATOM 354 O GLU A 21 70.943 -6.942 -19.426 1.00 0.00 O ATOM 355 CB GLU A 21 69.831 -4.141 -20.307 1.00 0.00 C ATOM 356 CG GLU A 21 68.740 -3.823 -19.281 1.00 0.00 C ATOM 357 CD GLU A 21 67.431 -3.500 -19.995 1.00 0.00 C ATOM 358 OE1 GLU A 21 67.404 -3.591 -21.210 1.00 0.00 O ATOM 359 OE2 GLU A 21 66.477 -3.162 -19.313 1.00 0.00 O ATOM 0 H GLU A 21 72.008 -5.343 -21.302 1.00 0.00 H new ATOM 0 HA GLU A 21 71.377 -3.777 -18.860 1.00 0.00 H new ATOM 0 HB2 GLU A 21 70.022 -3.270 -20.933 1.00 0.00 H new ATOM 0 HB3 GLU A 21 69.502 -4.942 -20.968 1.00 0.00 H new ATOM 0 HG2 GLU A 21 68.599 -4.672 -18.612 1.00 0.00 H new ATOM 0 HG3 GLU A 21 69.045 -2.978 -18.663 1.00 0.00 H new ATOM 366 N ALA A 22 70.591 -5.775 -17.537 1.00 0.00 N ATOM 367 CA ALA A 22 70.352 -6.973 -16.740 1.00 0.00 C ATOM 368 C ALA A 22 69.267 -6.722 -15.697 1.00 0.00 C ATOM 369 O ALA A 22 69.073 -5.594 -15.245 1.00 0.00 O ATOM 370 CB ALA A 22 71.644 -7.399 -16.041 1.00 0.00 C ATOM 0 H ALA A 22 70.525 -4.897 -17.021 1.00 0.00 H new ATOM 0 HA ALA A 22 70.018 -7.767 -17.407 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.458 -8.294 -15.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.409 -7.611 -16.788 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.987 -6.596 -15.389 1.00 0.00 H new ATOM 376 N LEU A 23 68.564 -7.787 -15.321 1.00 0.00 N ATOM 377 CA LEU A 23 67.499 -7.680 -14.329 1.00 0.00 C ATOM 378 C LEU A 23 67.978 -8.183 -12.971 1.00 0.00 C ATOM 379 O LEU A 23 68.737 -9.150 -12.890 1.00 0.00 O ATOM 380 CB LEU A 23 66.288 -8.499 -14.776 1.00 0.00 C ATOM 381 CG LEU A 23 65.860 -8.058 -16.176 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.608 -8.831 -16.594 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.552 -6.559 -16.165 1.00 0.00 C ATOM 0 H LEU A 23 68.711 -8.728 -15.686 1.00 0.00 H new ATOM 0 HA LEU A 23 67.218 -6.631 -14.238 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.535 -9.561 -14.778 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.465 -8.364 -14.074 1.00 0.00 H new ATOM 0 HG LEU A 23 66.665 -8.260 -16.883 1.00 0.00 H new ATOM 0 HD11 LEU A 23 64.303 -8.517 -17.592 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.825 -9.899 -16.600 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.803 -8.629 -15.888 1.00 0.00 H new ATOM 0 HD21 LEU A 23 65.247 -6.243 -17.163 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.747 -6.358 -15.458 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.443 -6.007 -15.866 1.00 0.00 H new ATOM 395 N LEU A 24 67.527 -7.528 -11.908 1.00 0.00 N ATOM 396 CA LEU A 24 67.913 -7.925 -10.559 1.00 0.00 C ATOM 397 C LEU A 24 66.885 -8.891 -9.978 1.00 0.00 C ATOM 398 O LEU A 24 65.680 -8.669 -10.097 1.00 0.00 O ATOM 399 CB LEU A 24 68.015 -6.689 -9.663 1.00 0.00 C ATOM 400 CG LEU A 24 68.989 -5.685 -10.281 1.00 0.00 C ATOM 401 CD1 LEU A 24 69.128 -4.474 -9.356 1.00 0.00 C ATOM 402 CD2 LEU A 24 70.359 -6.345 -10.460 1.00 0.00 C ATOM 0 H LEU A 24 66.899 -6.726 -11.952 1.00 0.00 H new ATOM 0 HA LEU A 24 68.882 -8.422 -10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 24 67.033 -6.232 -9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.356 -6.976 -8.668 1.00 0.00 H new ATOM 0 HG LEU A 24 68.610 -5.363 -11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.822 -3.758 -9.796 1.00 0.00 H new ATOM 0 HD12 LEU A 24 68.154 -4.002 -9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 24 69.507 -4.798 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 71.053 -5.629 -10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 24 70.737 -6.667 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 24 70.263 -7.209 -11.117 1.00 0.00 H new ATOM 414 N ASP A 25 67.363 -9.961 -9.351 1.00 0.00 N ATOM 415 CA ASP A 25 66.461 -10.944 -8.761 1.00 0.00 C ATOM 416 C ASP A 25 66.368 -10.756 -7.251 1.00 0.00 C ATOM 417 O ASP A 25 67.327 -10.329 -6.608 1.00 0.00 O ATOM 418 CB ASP A 25 66.943 -12.357 -9.067 1.00 0.00 C ATOM 419 CG ASP A 25 65.859 -13.361 -8.691 1.00 0.00 C ATOM 420 OD1 ASP A 25 65.831 -13.772 -7.544 1.00 0.00 O ATOM 421 OD2 ASP A 25 65.071 -13.704 -9.558 1.00 0.00 O ATOM 0 H ASP A 25 68.355 -10.168 -9.239 1.00 0.00 H new ATOM 0 HA ASP A 25 65.473 -10.797 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 25 67.185 -12.448 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 25 67.857 -12.568 -8.512 1.00 0.00 H new ATOM 426 N THR A 26 65.208 -11.086 -6.691 1.00 0.00 N ATOM 427 CA THR A 26 64.994 -10.961 -5.253 1.00 0.00 C ATOM 428 C THR A 26 65.818 -11.994 -4.486 1.00 0.00 C ATOM 429 O THR A 26 66.199 -11.767 -3.338 1.00 0.00 O ATOM 430 CB THR A 26 63.511 -11.150 -4.930 1.00 0.00 C ATOM 431 OG1 THR A 26 62.740 -10.244 -5.706 1.00 0.00 O ATOM 432 CG2 THR A 26 63.272 -10.882 -3.444 1.00 0.00 C ATOM 0 H THR A 26 64.404 -11.441 -7.209 1.00 0.00 H new ATOM 0 HA THR A 26 65.313 -9.965 -4.947 1.00 0.00 H new ATOM 0 HB THR A 26 63.216 -12.173 -5.164 1.00 0.00 H new ATOM 0 HG1 THR A 26 61.789 -10.365 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 26 62.215 -11.017 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 26 63.864 -11.578 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 26 63.567 -9.860 -3.207 1.00 0.00 H new ATOM 440 N GLY A 27 66.086 -13.130 -5.125 1.00 0.00 N ATOM 441 CA GLY A 27 66.864 -14.189 -4.485 1.00 0.00 C ATOM 442 C GLY A 27 67.047 -15.384 -5.416 1.00 0.00 C ATOM 443 O GLY A 27 66.769 -16.523 -5.040 1.00 0.00 O ATOM 0 H GLY A 27 65.780 -13.340 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 27 67.840 -13.800 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 27 66.363 -14.510 -3.572 1.00 0.00 H new ATOM 447 N ALA A 28 67.521 -15.118 -6.628 1.00 0.00 N ATOM 448 CA ALA A 28 67.743 -16.182 -7.601 1.00 0.00 C ATOM 449 C ALA A 28 68.896 -17.079 -7.160 1.00 0.00 C ATOM 450 O ALA A 28 68.941 -18.261 -7.503 1.00 0.00 O ATOM 451 CB ALA A 28 68.058 -15.591 -8.975 1.00 0.00 C ATOM 0 H ALA A 28 67.757 -14.183 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 28 66.832 -16.777 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.221 -16.398 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.222 -14.976 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.956 -14.977 -8.910 1.00 0.00 H new ATOM 457 N ASP A 29 69.831 -16.507 -6.410 1.00 0.00 N ATOM 458 CA ASP A 29 70.987 -17.262 -5.941 1.00 0.00 C ATOM 459 C ASP A 29 71.737 -17.853 -7.129 1.00 0.00 C ATOM 460 O ASP A 29 72.359 -18.910 -7.022 1.00 0.00 O ATOM 461 CB ASP A 29 70.534 -18.388 -5.008 1.00 0.00 C ATOM 462 CG ASP A 29 71.734 -18.977 -4.276 1.00 0.00 C ATOM 463 OD1 ASP A 29 72.820 -18.440 -4.430 1.00 0.00 O ATOM 464 OD2 ASP A 29 71.552 -19.956 -3.571 1.00 0.00 O ATOM 0 H ASP A 29 69.812 -15.531 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 29 71.649 -16.590 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 29 69.811 -18.005 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 29 70.031 -19.166 -5.582 1.00 0.00 H new ATOM 469 N ASP A 30 71.676 -17.153 -8.257 1.00 0.00 N ATOM 470 CA ASP A 30 72.353 -17.600 -9.469 1.00 0.00 C ATOM 471 C ASP A 30 72.519 -16.443 -10.450 1.00 0.00 C ATOM 472 O ASP A 30 71.629 -15.604 -10.590 1.00 0.00 O ATOM 473 CB ASP A 30 71.550 -18.720 -10.133 1.00 0.00 C ATOM 474 CG ASP A 30 71.595 -19.980 -9.274 1.00 0.00 C ATOM 475 OD1 ASP A 30 72.672 -20.318 -8.809 1.00 0.00 O ATOM 476 OD2 ASP A 30 70.553 -20.588 -9.093 1.00 0.00 O ATOM 0 H ASP A 30 71.166 -16.276 -8.357 1.00 0.00 H new ATOM 0 HA ASP A 30 73.340 -17.973 -9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 30 70.517 -18.403 -10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 30 71.955 -18.931 -11.123 1.00 0.00 H new ATOM 481 N THR A 31 73.657 -16.410 -11.136 1.00 0.00 N ATOM 482 CA THR A 31 73.917 -15.356 -12.110 1.00 0.00 C ATOM 483 C THR A 31 74.272 -15.965 -13.463 1.00 0.00 C ATOM 484 O THR A 31 75.226 -16.734 -13.573 1.00 0.00 O ATOM 485 CB THR A 31 75.069 -14.474 -11.627 1.00 0.00 C ATOM 486 OG1 THR A 31 74.738 -13.918 -10.362 1.00 0.00 O ATOM 487 CG2 THR A 31 75.316 -13.348 -12.633 1.00 0.00 C ATOM 0 H THR A 31 74.407 -17.094 -11.037 1.00 0.00 H new ATOM 0 HA THR A 31 73.018 -14.749 -12.218 1.00 0.00 H new ATOM 0 HB THR A 31 75.972 -15.077 -11.536 1.00 0.00 H new ATOM 0 HG1 THR A 31 75.397 -13.234 -10.123 1.00 0.00 H new ATOM 0 HG21 THR A 31 76.138 -12.722 -12.284 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.572 -13.776 -13.602 1.00 0.00 H new ATOM 0 HG23 THR A 31 74.415 -12.743 -12.730 1.00 0.00 H new ATOM 495 N VAL A 32 73.499 -15.617 -14.488 1.00 0.00 N ATOM 496 CA VAL A 32 73.750 -16.143 -15.825 1.00 0.00 C ATOM 497 C VAL A 32 73.629 -15.043 -16.876 1.00 0.00 C ATOM 498 O VAL A 32 72.715 -14.220 -16.824 1.00 0.00 O ATOM 499 CB VAL A 32 72.760 -17.265 -16.141 1.00 0.00 C ATOM 500 CG1 VAL A 32 73.153 -17.936 -17.458 1.00 0.00 C ATOM 501 CG2 VAL A 32 72.784 -18.300 -15.013 1.00 0.00 C ATOM 0 H VAL A 32 72.704 -14.982 -14.420 1.00 0.00 H new ATOM 0 HA VAL A 32 74.766 -16.536 -15.849 1.00 0.00 H new ATOM 0 HB VAL A 32 71.756 -16.849 -16.231 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.448 -18.736 -17.684 1.00 0.00 H new ATOM 0 HG12 VAL A 32 73.135 -17.199 -18.261 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.157 -18.352 -17.369 1.00 0.00 H new ATOM 0 HG21 VAL A 32 72.078 -19.100 -15.238 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.787 -18.716 -14.922 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.503 -17.822 -14.075 1.00 0.00 H new ATOM 511 N ILE A 33 74.551 -15.041 -17.835 1.00 0.00 N ATOM 512 CA ILE A 33 74.530 -14.043 -18.900 1.00 0.00 C ATOM 513 C ILE A 33 74.317 -14.716 -20.253 1.00 0.00 C ATOM 514 O ILE A 33 74.897 -15.764 -20.538 1.00 0.00 O ATOM 515 CB ILE A 33 75.844 -13.253 -18.914 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.084 -12.643 -17.532 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.773 -12.124 -19.950 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.315 -11.737 -17.585 1.00 0.00 C ATOM 0 H ILE A 33 75.316 -15.713 -17.897 1.00 0.00 H new ATOM 0 HA ILE A 33 73.705 -13.356 -18.713 1.00 0.00 H new ATOM 0 HB ILE A 33 76.659 -13.929 -19.173 1.00 0.00 H new ATOM 0 HG12 ILE A 33 75.211 -12.071 -17.218 1.00 0.00 H new ATOM 0 HG13 ILE A 33 76.231 -13.432 -16.794 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.712 -11.571 -19.950 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.602 -12.548 -20.939 1.00 0.00 H new ATOM 0 HG23 ILE A 33 74.955 -11.450 -19.698 1.00 0.00 H new ATOM 0 HD11 ILE A 33 77.488 -11.301 -16.601 1.00 0.00 H new ATOM 0 HD12 ILE A 33 78.185 -12.323 -17.881 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.150 -10.941 -18.311 1.00 0.00 H new ATOM 530 N GLU A 34 73.483 -14.100 -21.084 1.00 0.00 N ATOM 531 CA GLU A 34 73.195 -14.634 -22.411 1.00 0.00 C ATOM 532 C GLU A 34 74.492 -14.915 -23.169 1.00 0.00 C ATOM 533 O GLU A 34 75.530 -14.315 -22.887 1.00 0.00 O ATOM 534 CB GLU A 34 72.344 -13.626 -23.193 1.00 0.00 C ATOM 535 CG GLU A 34 71.887 -14.240 -24.519 1.00 0.00 C ATOM 536 CD GLU A 34 71.089 -13.214 -25.318 1.00 0.00 C ATOM 537 OE1 GLU A 34 70.953 -12.099 -24.841 1.00 0.00 O ATOM 538 OE2 GLU A 34 70.628 -13.559 -26.393 1.00 0.00 O ATOM 0 H GLU A 34 72.995 -13.232 -20.863 1.00 0.00 H new ATOM 0 HA GLU A 34 72.647 -15.570 -22.303 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.477 -13.334 -22.601 1.00 0.00 H new ATOM 0 HB3 GLU A 34 72.921 -12.721 -23.382 1.00 0.00 H new ATOM 0 HG2 GLU A 34 72.752 -14.569 -25.095 1.00 0.00 H new ATOM 0 HG3 GLU A 34 71.275 -15.122 -24.330 1.00 0.00 H new ATOM 545 N GLU A 35 74.421 -15.828 -24.133 1.00 0.00 N ATOM 546 CA GLU A 35 75.592 -16.186 -24.937 1.00 0.00 C ATOM 547 C GLU A 35 76.268 -14.945 -25.520 1.00 0.00 C ATOM 548 O GLU A 35 77.285 -15.049 -26.204 1.00 0.00 O ATOM 549 CB GLU A 35 75.192 -17.135 -26.074 1.00 0.00 C ATOM 550 CG GLU A 35 75.246 -18.591 -25.590 1.00 0.00 C ATOM 551 CD GLU A 35 74.844 -19.530 -26.722 1.00 0.00 C ATOM 552 OE1 GLU A 35 74.409 -19.035 -27.749 1.00 0.00 O ATOM 553 OE2 GLU A 35 74.977 -20.730 -26.545 1.00 0.00 O ATOM 0 H GLU A 35 73.570 -16.334 -24.378 1.00 0.00 H new ATOM 0 HA GLU A 35 76.301 -16.688 -24.279 1.00 0.00 H new ATOM 0 HB2 GLU A 35 74.187 -16.896 -26.421 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.862 -17.001 -26.923 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.252 -18.832 -25.246 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.578 -18.726 -24.740 1.00 0.00 H new ATOM 560 N MET A 36 75.716 -13.771 -25.226 1.00 0.00 N ATOM 561 CA MET A 36 76.300 -12.527 -25.710 1.00 0.00 C ATOM 562 C MET A 36 77.245 -11.967 -24.654 1.00 0.00 C ATOM 563 O MET A 36 76.804 -11.447 -23.629 1.00 0.00 O ATOM 564 CB MET A 36 75.199 -11.510 -26.011 1.00 0.00 C ATOM 565 CG MET A 36 75.818 -10.256 -26.629 1.00 0.00 C ATOM 566 SD MET A 36 74.534 -9.005 -26.872 1.00 0.00 S ATOM 567 CE MET A 36 75.552 -7.808 -27.769 1.00 0.00 C ATOM 0 H MET A 36 74.874 -13.656 -24.661 1.00 0.00 H new ATOM 0 HA MET A 36 76.855 -12.725 -26.627 1.00 0.00 H new ATOM 0 HB2 MET A 36 74.467 -11.942 -26.694 1.00 0.00 H new ATOM 0 HB3 MET A 36 74.667 -11.252 -25.095 1.00 0.00 H new ATOM 0 HG2 MET A 36 76.602 -9.866 -25.979 1.00 0.00 H new ATOM 0 HG3 MET A 36 76.287 -10.501 -27.582 1.00 0.00 H new ATOM 0 HE1 MET A 36 74.949 -6.937 -28.024 1.00 0.00 H new ATOM 0 HE2 MET A 36 76.388 -7.499 -27.142 1.00 0.00 H new ATOM 0 HE3 MET A 36 75.933 -8.266 -28.682 1.00 0.00 H new ATOM 577 N SER A 37 78.547 -12.084 -24.901 1.00 0.00 N ATOM 578 CA SER A 37 79.538 -11.593 -23.951 1.00 0.00 C ATOM 579 C SER A 37 80.909 -12.204 -24.240 1.00 0.00 C ATOM 580 O SER A 37 81.058 -13.425 -24.257 1.00 0.00 O ATOM 581 CB SER A 37 79.107 -11.947 -22.525 1.00 0.00 C ATOM 582 OG SER A 37 78.503 -10.811 -21.922 1.00 0.00 O ATOM 0 H SER A 37 78.936 -12.510 -25.742 1.00 0.00 H new ATOM 0 HA SER A 37 79.610 -10.510 -24.052 1.00 0.00 H new ATOM 0 HB2 SER A 37 78.405 -12.781 -22.541 1.00 0.00 H new ATOM 0 HB3 SER A 37 79.970 -12.268 -21.941 1.00 0.00 H new ATOM 0 HG SER A 37 77.646 -10.625 -22.360 1.00 0.00 H new ATOM 588 N LEU A 38 81.903 -11.340 -24.456 1.00 0.00 N ATOM 589 CA LEU A 38 83.269 -11.786 -24.735 1.00 0.00 C ATOM 590 C LEU A 38 83.282 -13.161 -25.402 1.00 0.00 C ATOM 591 O LEU A 38 83.819 -14.119 -24.850 1.00 0.00 O ATOM 592 CB LEU A 38 84.081 -11.849 -23.437 1.00 0.00 C ATOM 593 CG LEU A 38 83.937 -10.535 -22.659 1.00 0.00 C ATOM 594 CD1 LEU A 38 84.231 -9.357 -23.587 1.00 0.00 C ATOM 595 CD2 LEU A 38 82.513 -10.404 -22.109 1.00 0.00 C ATOM 0 H LEU A 38 81.787 -10.327 -24.443 1.00 0.00 H new ATOM 0 HA LEU A 38 83.717 -11.064 -25.418 1.00 0.00 H new ATOM 0 HB2 LEU A 38 83.737 -12.683 -22.824 1.00 0.00 H new ATOM 0 HB3 LEU A 38 85.131 -12.032 -23.665 1.00 0.00 H new ATOM 0 HG LEU A 38 84.644 -10.535 -21.829 1.00 0.00 H new ATOM 0 HD11 LEU A 38 84.129 -8.424 -23.034 1.00 0.00 H new ATOM 0 HD12 LEU A 38 85.248 -9.441 -23.971 1.00 0.00 H new ATOM 0 HD13 LEU A 38 83.527 -9.365 -24.419 1.00 0.00 H new ATOM 0 HD21 LEU A 38 82.420 -9.468 -21.558 1.00 0.00 H new ATOM 0 HD22 LEU A 38 81.802 -10.411 -22.935 1.00 0.00 H new ATOM 0 HD23 LEU A 38 82.302 -11.240 -21.442 1.00 0.00 H new ATOM 607 N PRO A 39 82.704 -13.273 -26.569 1.00 0.00 N ATOM 608 CA PRO A 39 82.651 -14.564 -27.317 1.00 0.00 C ATOM 609 C PRO A 39 84.027 -14.990 -27.829 1.00 0.00 C ATOM 610 O PRO A 39 84.630 -14.308 -28.657 1.00 0.00 O ATOM 611 CB PRO A 39 81.698 -14.278 -28.479 1.00 0.00 C ATOM 612 CG PRO A 39 81.725 -12.796 -28.666 1.00 0.00 C ATOM 613 CD PRO A 39 82.040 -12.184 -27.302 1.00 0.00 C ATOM 0 HA PRO A 39 82.318 -15.387 -26.685 1.00 0.00 H new ATOM 0 HB2 PRO A 39 82.018 -14.793 -29.385 1.00 0.00 H new ATOM 0 HB3 PRO A 39 80.690 -14.626 -28.254 1.00 0.00 H new ATOM 0 HG2 PRO A 39 82.479 -12.513 -29.400 1.00 0.00 H new ATOM 0 HG3 PRO A 39 80.766 -12.436 -29.039 1.00 0.00 H new ATOM 0 HD2 PRO A 39 82.688 -11.312 -27.395 1.00 0.00 H new ATOM 0 HD3 PRO A 39 81.134 -11.855 -26.793 1.00 0.00 H new ATOM 621 N GLY A 40 84.516 -16.122 -27.330 1.00 0.00 N ATOM 622 CA GLY A 40 85.821 -16.630 -27.744 1.00 0.00 C ATOM 623 C GLY A 40 86.742 -16.815 -26.542 1.00 0.00 C ATOM 624 O GLY A 40 86.770 -15.983 -25.634 1.00 0.00 O ATOM 0 H GLY A 40 84.033 -16.701 -26.644 1.00 0.00 H new ATOM 0 HA2 GLY A 40 85.697 -17.581 -28.262 1.00 0.00 H new ATOM 0 HA3 GLY A 40 86.276 -15.938 -28.453 1.00 0.00 H new ATOM 628 N ARG A 41 87.490 -17.915 -26.538 1.00 0.00 N ATOM 629 CA ARG A 41 88.405 -18.206 -25.439 1.00 0.00 C ATOM 630 C ARG A 41 87.660 -18.180 -24.109 1.00 0.00 C ATOM 631 O ARG A 41 87.462 -17.120 -23.516 1.00 0.00 O ATOM 632 CB ARG A 41 89.540 -17.177 -25.411 1.00 0.00 C ATOM 633 CG ARG A 41 90.628 -17.637 -24.432 1.00 0.00 C ATOM 634 CD ARG A 41 91.520 -18.687 -25.104 1.00 0.00 C ATOM 635 NE ARG A 41 91.737 -19.833 -24.218 1.00 0.00 N ATOM 636 CZ ARG A 41 92.003 -19.688 -22.920 1.00 0.00 C ATOM 637 NH1 ARG A 41 92.157 -18.499 -22.405 1.00 0.00 N ATOM 638 NH2 ARG A 41 92.133 -20.743 -22.164 1.00 0.00 N ATOM 0 H ARG A 41 87.481 -18.616 -27.279 1.00 0.00 H new ATOM 0 HA ARG A 41 88.825 -19.200 -25.593 1.00 0.00 H new ATOM 0 HB2 ARG A 41 89.961 -17.058 -26.409 1.00 0.00 H new ATOM 0 HB3 ARG A 41 89.154 -16.203 -25.110 1.00 0.00 H new ATOM 0 HG2 ARG A 41 91.229 -16.785 -24.115 1.00 0.00 H new ATOM 0 HG3 ARG A 41 90.170 -18.055 -23.535 1.00 0.00 H new ATOM 0 HD2 ARG A 41 91.058 -19.022 -26.032 1.00 0.00 H new ATOM 0 HD3 ARG A 41 92.478 -18.240 -25.369 1.00 0.00 H new ATOM 0 HE ARG A 41 91.683 -20.774 -24.608 1.00 0.00 H new ATOM 0 HH11 ARG A 41 92.074 -17.672 -22.997 1.00 0.00 H new ATOM 0 HH12 ARG A 41 92.360 -18.396 -21.411 1.00 0.00 H new ATOM 0 HH21 ARG A 41 92.031 -21.675 -22.567 1.00 0.00 H new ATOM 0 HH22 ARG A 41 92.337 -20.636 -21.170 1.00 0.00 H new ATOM 652 N TRP A 42 87.246 -19.356 -23.649 1.00 0.00 N ATOM 653 CA TRP A 42 86.519 -19.464 -22.390 1.00 0.00 C ATOM 654 C TRP A 42 86.819 -20.795 -21.706 1.00 0.00 C ATOM 655 O TRP A 42 87.738 -21.512 -22.101 1.00 0.00 O ATOM 656 CB TRP A 42 85.017 -19.343 -22.645 1.00 0.00 C ATOM 657 CG TRP A 42 84.757 -19.407 -24.116 1.00 0.00 C ATOM 658 CD1 TRP A 42 84.002 -18.523 -24.810 1.00 0.00 C ATOM 659 CD2 TRP A 42 85.237 -20.384 -25.084 1.00 0.00 C ATOM 660 NE1 TRP A 42 83.988 -18.896 -26.141 1.00 0.00 N ATOM 661 CE2 TRP A 42 84.734 -20.037 -26.361 1.00 0.00 C ATOM 662 CE3 TRP A 42 86.051 -21.526 -24.980 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.028 -20.796 -27.494 1.00 0.00 C ATOM 664 CZ3 TRP A 42 86.350 -22.292 -26.120 1.00 0.00 C ATOM 665 CH2 TRP A 42 85.839 -21.927 -27.374 1.00 0.00 C ATOM 0 H TRP A 42 87.401 -20.244 -24.127 1.00 0.00 H new ATOM 0 HA TRP A 42 86.843 -18.655 -21.735 1.00 0.00 H new ATOM 0 HB2 TRP A 42 84.484 -20.146 -22.135 1.00 0.00 H new ATOM 0 HB3 TRP A 42 84.642 -18.403 -22.239 1.00 0.00 H new ATOM 0 HD1 TRP A 42 83.494 -17.667 -24.392 1.00 0.00 H new ATOM 0 HE1 TRP A 42 83.488 -18.390 -26.872 1.00 0.00 H new ATOM 0 HE3 TRP A 42 86.449 -21.816 -24.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 84.631 -20.511 -28.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 86.977 -23.167 -26.030 1.00 0.00 H new ATOM 0 HH2 TRP A 42 86.072 -22.520 -28.246 1.00 0.00 H new ATOM 676 N LYS A 43 86.038 -21.120 -20.680 1.00 0.00 N ATOM 677 CA LYS A 43 86.231 -22.366 -19.950 1.00 0.00 C ATOM 678 C LYS A 43 85.023 -23.291 -20.143 1.00 0.00 C ATOM 679 O LYS A 43 83.969 -23.054 -19.555 1.00 0.00 O ATOM 680 CB LYS A 43 86.402 -22.067 -18.459 1.00 0.00 C ATOM 681 CG LYS A 43 87.502 -22.960 -17.884 1.00 0.00 C ATOM 682 CD LYS A 43 87.739 -22.599 -16.418 1.00 0.00 C ATOM 683 CE LYS A 43 88.817 -23.512 -15.830 1.00 0.00 C ATOM 684 NZ LYS A 43 89.524 -24.228 -16.931 1.00 0.00 N ATOM 0 H LYS A 43 85.271 -20.541 -20.338 1.00 0.00 H new ATOM 0 HA LYS A 43 87.124 -22.860 -20.334 1.00 0.00 H new ATOM 0 HB2 LYS A 43 86.658 -21.017 -18.315 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.464 -22.242 -17.932 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.216 -24.008 -17.969 1.00 0.00 H new ATOM 0 HG3 LYS A 43 88.423 -22.834 -18.454 1.00 0.00 H new ATOM 0 HD2 LYS A 43 88.047 -21.557 -16.335 1.00 0.00 H new ATOM 0 HD3 LYS A 43 86.813 -22.704 -15.853 1.00 0.00 H new ATOM 0 HE2 LYS A 43 89.528 -22.924 -15.250 1.00 0.00 H new ATOM 0 HE3 LYS A 43 88.365 -24.231 -15.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 90.310 -24.782 -16.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 88.859 -24.866 -17.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 89.896 -23.536 -17.612 1.00 0.00 H new ATOM 698 N PRO A 44 85.141 -24.329 -20.945 1.00 0.00 N ATOM 699 CA PRO A 44 84.013 -25.280 -21.182 1.00 0.00 C ATOM 700 C PRO A 44 83.463 -25.874 -19.884 1.00 0.00 C ATOM 701 O PRO A 44 84.212 -26.380 -19.051 1.00 0.00 O ATOM 702 CB PRO A 44 84.620 -26.381 -22.056 1.00 0.00 C ATOM 703 CG PRO A 44 85.846 -25.790 -22.670 1.00 0.00 C ATOM 704 CD PRO A 44 86.340 -24.704 -21.715 1.00 0.00 C ATOM 0 HA PRO A 44 83.166 -24.776 -21.649 1.00 0.00 H new ATOM 0 HB2 PRO A 44 84.867 -27.260 -21.461 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.916 -26.703 -22.823 1.00 0.00 H new ATOM 0 HG2 PRO A 44 86.611 -26.553 -22.817 1.00 0.00 H new ATOM 0 HG3 PRO A 44 85.623 -25.370 -23.651 1.00 0.00 H new ATOM 0 HD2 PRO A 44 87.131 -25.076 -21.064 1.00 0.00 H new ATOM 0 HD3 PRO A 44 86.748 -23.851 -22.258 1.00 0.00 H new ATOM 712 N LYS A 45 82.141 -25.822 -19.743 1.00 0.00 N ATOM 713 CA LYS A 45 81.468 -26.369 -18.563 1.00 0.00 C ATOM 714 C LYS A 45 80.139 -27.001 -18.958 1.00 0.00 C ATOM 715 O LYS A 45 79.551 -26.647 -19.979 1.00 0.00 O ATOM 716 CB LYS A 45 81.213 -25.278 -17.513 1.00 0.00 C ATOM 717 CG LYS A 45 82.532 -24.635 -17.057 1.00 0.00 C ATOM 718 CD LYS A 45 83.337 -25.619 -16.199 1.00 0.00 C ATOM 719 CE LYS A 45 84.500 -24.878 -15.534 1.00 0.00 C ATOM 720 NZ LYS A 45 84.191 -24.656 -14.093 1.00 0.00 N ATOM 0 H LYS A 45 81.512 -25.407 -20.430 1.00 0.00 H new ATOM 0 HA LYS A 45 82.123 -27.126 -18.132 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.556 -24.514 -17.929 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.698 -25.708 -16.654 1.00 0.00 H new ATOM 0 HG2 LYS A 45 83.118 -24.336 -17.926 1.00 0.00 H new ATOM 0 HG3 LYS A 45 82.325 -23.730 -16.486 1.00 0.00 H new ATOM 0 HD2 LYS A 45 82.695 -26.067 -15.440 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.716 -26.433 -16.817 1.00 0.00 H new ATOM 0 HE2 LYS A 45 85.418 -25.456 -15.635 1.00 0.00 H new ATOM 0 HE3 LYS A 45 84.668 -23.923 -16.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 85.076 -24.507 -13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 83.584 -23.818 -13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 83.698 -25.488 -13.711 1.00 0.00 H new ATOM 734 N MET A 46 79.665 -27.929 -18.136 1.00 0.00 N ATOM 735 CA MET A 46 78.397 -28.594 -18.404 1.00 0.00 C ATOM 736 C MET A 46 77.514 -28.551 -17.162 1.00 0.00 C ATOM 737 O MET A 46 78.005 -28.665 -16.038 1.00 0.00 O ATOM 738 CB MET A 46 78.647 -30.047 -18.807 1.00 0.00 C ATOM 739 CG MET A 46 79.516 -30.083 -20.065 1.00 0.00 C ATOM 740 SD MET A 46 79.612 -31.781 -20.686 1.00 0.00 S ATOM 741 CE MET A 46 80.365 -32.519 -19.216 1.00 0.00 C ATOM 0 H MET A 46 80.135 -28.236 -17.285 1.00 0.00 H new ATOM 0 HA MET A 46 77.892 -28.077 -19.220 1.00 0.00 H new ATOM 0 HB2 MET A 46 79.141 -30.581 -17.995 1.00 0.00 H new ATOM 0 HB3 MET A 46 77.699 -30.553 -18.992 1.00 0.00 H new ATOM 0 HG2 MET A 46 79.096 -29.429 -20.829 1.00 0.00 H new ATOM 0 HG3 MET A 46 80.515 -29.710 -19.840 1.00 0.00 H new ATOM 0 HE1 MET A 46 80.998 -33.355 -19.512 1.00 0.00 H new ATOM 0 HE2 MET A 46 80.969 -31.771 -18.702 1.00 0.00 H new ATOM 0 HE3 MET A 46 79.582 -32.876 -18.547 1.00 0.00 H new ATOM 751 N ILE A 47 76.212 -28.397 -17.368 1.00 0.00 N ATOM 752 CA ILE A 47 75.275 -28.353 -16.252 1.00 0.00 C ATOM 753 C ILE A 47 74.118 -29.313 -16.494 1.00 0.00 C ATOM 754 O ILE A 47 73.838 -29.683 -17.634 1.00 0.00 O ATOM 755 CB ILE A 47 74.744 -26.927 -16.067 1.00 0.00 C ATOM 756 CG1 ILE A 47 73.923 -26.512 -17.293 1.00 0.00 C ATOM 757 CG2 ILE A 47 75.921 -25.965 -15.897 1.00 0.00 C ATOM 758 CD1 ILE A 47 73.355 -25.110 -17.075 1.00 0.00 C ATOM 0 H ILE A 47 75.783 -28.301 -18.289 1.00 0.00 H new ATOM 0 HA ILE A 47 75.798 -28.657 -15.345 1.00 0.00 H new ATOM 0 HB ILE A 47 74.109 -26.894 -15.182 1.00 0.00 H new ATOM 0 HG12 ILE A 47 74.549 -26.528 -18.185 1.00 0.00 H new ATOM 0 HG13 ILE A 47 73.113 -27.222 -17.459 1.00 0.00 H new ATOM 0 HG21 ILE A 47 75.545 -24.950 -15.765 1.00 0.00 H new ATOM 0 HG22 ILE A 47 76.503 -26.253 -15.021 1.00 0.00 H new ATOM 0 HG23 ILE A 47 76.555 -26.005 -16.783 1.00 0.00 H new ATOM 0 HD11 ILE A 47 72.771 -24.814 -17.947 1.00 0.00 H new ATOM 0 HD12 ILE A 47 72.715 -25.110 -16.193 1.00 0.00 H new ATOM 0 HD13 ILE A 47 74.173 -24.404 -16.930 1.00 0.00 H new ATOM 770 N GLY A 48 73.446 -29.714 -15.420 1.00 0.00 N ATOM 771 CA GLY A 48 72.320 -30.632 -15.538 1.00 0.00 C ATOM 772 C GLY A 48 71.291 -30.381 -14.443 1.00 0.00 C ATOM 773 O GLY A 48 71.491 -29.533 -13.571 1.00 0.00 O ATOM 0 H GLY A 48 73.659 -29.421 -14.467 1.00 0.00 H new ATOM 0 HA2 GLY A 48 71.852 -30.514 -16.515 1.00 0.00 H new ATOM 0 HA3 GLY A 48 72.677 -31.660 -15.477 1.00 0.00 H new ATOM 777 N GLY A 49 70.188 -31.120 -14.493 1.00 0.00 N ATOM 778 CA GLY A 49 69.130 -30.971 -13.501 1.00 0.00 C ATOM 779 C GLY A 49 68.081 -29.969 -13.972 1.00 0.00 C ATOM 780 O GLY A 49 66.918 -30.321 -14.175 1.00 0.00 O ATOM 0 H GLY A 49 70.004 -31.825 -15.207 1.00 0.00 H new ATOM 0 HA2 GLY A 49 68.660 -31.937 -13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 49 69.557 -30.639 -12.555 1.00 0.00 H new ATOM 784 N ILE A 50 68.498 -28.719 -14.145 1.00 0.00 N ATOM 785 CA ILE A 50 67.584 -27.676 -14.594 1.00 0.00 C ATOM 786 C ILE A 50 68.027 -27.115 -15.942 1.00 0.00 C ATOM 787 O ILE A 50 69.192 -26.762 -16.124 1.00 0.00 O ATOM 788 CB ILE A 50 67.534 -26.548 -13.562 1.00 0.00 C ATOM 789 CG1 ILE A 50 67.109 -27.119 -12.207 1.00 0.00 C ATOM 790 CG2 ILE A 50 66.521 -25.491 -14.009 1.00 0.00 C ATOM 791 CD1 ILE A 50 67.188 -26.024 -11.143 1.00 0.00 C ATOM 0 H ILE A 50 69.455 -28.406 -13.983 1.00 0.00 H new ATOM 0 HA ILE A 50 66.592 -28.113 -14.705 1.00 0.00 H new ATOM 0 HB ILE A 50 68.520 -26.091 -13.474 1.00 0.00 H new ATOM 0 HG12 ILE A 50 66.093 -27.509 -12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 50 67.755 -27.953 -11.934 1.00 0.00 H new ATOM 0 HG21 ILE A 50 66.485 -24.687 -13.274 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.821 -25.086 -14.975 1.00 0.00 H new ATOM 0 HG23 ILE A 50 65.535 -25.946 -14.097 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.885 -26.431 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 50 68.211 -25.655 -11.076 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.524 -25.204 -11.415 1.00 0.00 H new ATOM 803 N GLY A 51 67.089 -27.033 -16.880 1.00 0.00 N ATOM 804 CA GLY A 51 67.392 -26.509 -18.207 1.00 0.00 C ATOM 805 C GLY A 51 67.874 -27.620 -19.136 1.00 0.00 C ATOM 806 O GLY A 51 68.312 -27.357 -20.256 1.00 0.00 O ATOM 0 H GLY A 51 66.119 -27.320 -16.748 1.00 0.00 H new ATOM 0 HA2 GLY A 51 66.504 -26.038 -18.628 1.00 0.00 H new ATOM 0 HA3 GLY A 51 68.157 -25.736 -18.131 1.00 0.00 H new ATOM 810 N GLY A 52 67.794 -28.859 -18.662 1.00 0.00 N ATOM 811 CA GLY A 52 68.228 -29.999 -19.460 1.00 0.00 C ATOM 812 C GLY A 52 69.744 -30.006 -19.611 1.00 0.00 C ATOM 813 O GLY A 52 70.361 -28.959 -19.815 1.00 0.00 O ATOM 0 H GLY A 52 67.436 -29.098 -17.737 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.901 -30.925 -18.988 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.760 -29.960 -20.444 1.00 0.00 H new ATOM 817 N PHE A 53 70.343 -31.188 -19.502 1.00 0.00 N ATOM 818 CA PHE A 53 71.791 -31.308 -19.623 1.00 0.00 C ATOM 819 C PHE A 53 72.281 -30.561 -20.860 1.00 0.00 C ATOM 820 O PHE A 53 72.099 -31.024 -21.986 1.00 0.00 O ATOM 821 CB PHE A 53 72.185 -32.783 -19.725 1.00 0.00 C ATOM 822 CG PHE A 53 73.688 -32.912 -19.657 1.00 0.00 C ATOM 823 CD1 PHE A 53 74.324 -33.019 -18.413 1.00 0.00 C ATOM 824 CD2 PHE A 53 74.446 -32.925 -20.834 1.00 0.00 C ATOM 825 CE1 PHE A 53 75.717 -33.141 -18.348 1.00 0.00 C ATOM 826 CE2 PHE A 53 75.839 -33.047 -20.768 1.00 0.00 C ATOM 827 CZ PHE A 53 76.475 -33.154 -19.525 1.00 0.00 C ATOM 0 H PHE A 53 69.854 -32.067 -19.332 1.00 0.00 H new ATOM 0 HA PHE A 53 72.253 -30.871 -18.738 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.724 -33.350 -18.916 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.816 -33.205 -20.660 1.00 0.00 H new ATOM 0 HD1 PHE A 53 73.740 -33.007 -17.505 1.00 0.00 H new ATOM 0 HD2 PHE A 53 73.956 -32.841 -21.793 1.00 0.00 H new ATOM 0 HE1 PHE A 53 76.207 -33.225 -17.389 1.00 0.00 H new ATOM 0 HE2 PHE A 53 76.423 -33.059 -21.676 1.00 0.00 H new ATOM 0 HZ PHE A 53 77.550 -33.247 -19.474 1.00 0.00 H new ATOM 837 N ILE A 54 72.896 -29.401 -20.645 1.00 0.00 N ATOM 838 CA ILE A 54 73.400 -28.600 -21.756 1.00 0.00 C ATOM 839 C ILE A 54 74.829 -28.134 -21.489 1.00 0.00 C ATOM 840 O ILE A 54 75.248 -28.015 -20.338 1.00 0.00 O ATOM 841 CB ILE A 54 72.495 -27.385 -21.972 1.00 0.00 C ATOM 842 CG1 ILE A 54 72.909 -26.662 -23.255 1.00 0.00 C ATOM 843 CG2 ILE A 54 72.629 -26.432 -20.783 1.00 0.00 C ATOM 844 CD1 ILE A 54 71.748 -25.796 -23.749 1.00 0.00 C ATOM 0 H ILE A 54 73.056 -28.998 -19.722 1.00 0.00 H new ATOM 0 HA ILE A 54 73.401 -29.220 -22.652 1.00 0.00 H new ATOM 0 HB ILE A 54 71.459 -27.714 -22.059 1.00 0.00 H new ATOM 0 HG12 ILE A 54 73.786 -26.042 -23.069 1.00 0.00 H new ATOM 0 HG13 ILE A 54 73.187 -27.387 -24.020 1.00 0.00 H new ATOM 0 HG21 ILE A 54 71.985 -25.566 -20.936 1.00 0.00 H new ATOM 0 HG22 ILE A 54 72.334 -26.947 -19.869 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.664 -26.103 -20.696 1.00 0.00 H new ATOM 0 HD11 ILE A 54 72.042 -25.280 -24.663 1.00 0.00 H new ATOM 0 HD12 ILE A 54 70.883 -26.428 -23.951 1.00 0.00 H new ATOM 0 HD13 ILE A 54 71.491 -25.062 -22.985 1.00 0.00 H new ATOM 856 N LYS A 55 75.571 -27.878 -22.563 1.00 0.00 N ATOM 857 CA LYS A 55 76.955 -27.430 -22.439 1.00 0.00 C ATOM 858 C LYS A 55 77.025 -25.904 -22.387 1.00 0.00 C ATOM 859 O LYS A 55 76.575 -25.227 -23.310 1.00 0.00 O ATOM 860 CB LYS A 55 77.761 -27.926 -23.641 1.00 0.00 C ATOM 861 CG LYS A 55 77.690 -29.452 -23.718 1.00 0.00 C ATOM 862 CD LYS A 55 78.582 -29.945 -24.860 1.00 0.00 C ATOM 863 CE LYS A 55 78.396 -31.452 -25.039 1.00 0.00 C ATOM 864 NZ LYS A 55 76.942 -31.765 -25.126 1.00 0.00 N ATOM 0 H LYS A 55 75.240 -27.972 -23.523 1.00 0.00 H new ATOM 0 HA LYS A 55 77.369 -27.835 -21.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.369 -27.488 -24.559 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.799 -27.605 -23.552 1.00 0.00 H new ATOM 0 HG2 LYS A 55 78.013 -29.890 -22.774 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.661 -29.771 -23.882 1.00 0.00 H new ATOM 0 HD2 LYS A 55 78.329 -29.424 -25.784 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.626 -29.720 -24.643 1.00 0.00 H new ATOM 0 HE2 LYS A 55 78.906 -31.788 -25.942 1.00 0.00 H new ATOM 0 HE3 LYS A 55 78.845 -31.987 -24.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 76.807 -32.636 -25.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 76.558 -31.899 -24.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 76.445 -30.979 -25.591 1.00 0.00 H new ATOM 878 N VAL A 56 77.585 -25.366 -21.303 1.00 0.00 N ATOM 879 CA VAL A 56 77.696 -23.917 -21.152 1.00 0.00 C ATOM 880 C VAL A 56 79.146 -23.508 -20.903 1.00 0.00 C ATOM 881 O VAL A 56 79.986 -24.341 -20.565 1.00 0.00 O ATOM 882 CB VAL A 56 76.824 -23.446 -19.987 1.00 0.00 C ATOM 883 CG1 VAL A 56 75.372 -23.855 -20.236 1.00 0.00 C ATOM 884 CG2 VAL A 56 77.318 -24.092 -18.690 1.00 0.00 C ATOM 0 H VAL A 56 77.965 -25.906 -20.525 1.00 0.00 H new ATOM 0 HA VAL A 56 77.355 -23.449 -22.076 1.00 0.00 H new ATOM 0 HB VAL A 56 76.886 -22.361 -19.903 1.00 0.00 H new ATOM 0 HG11 VAL A 56 74.752 -23.519 -19.405 1.00 0.00 H new ATOM 0 HG12 VAL A 56 75.019 -23.398 -21.161 1.00 0.00 H new ATOM 0 HG13 VAL A 56 75.309 -24.940 -20.320 1.00 0.00 H new ATOM 0 HG21 VAL A 56 76.698 -23.758 -17.858 1.00 0.00 H new ATOM 0 HG22 VAL A 56 77.255 -25.177 -18.777 1.00 0.00 H new ATOM 0 HG23 VAL A 56 78.353 -23.802 -18.510 1.00 0.00 H new ATOM 894 N ARG A 57 79.435 -22.219 -21.083 1.00 0.00 N ATOM 895 CA ARG A 57 80.792 -21.711 -20.885 1.00 0.00 C ATOM 896 C ARG A 57 80.807 -20.616 -19.821 1.00 0.00 C ATOM 897 O ARG A 57 79.835 -19.875 -19.672 1.00 0.00 O ATOM 898 CB ARG A 57 81.325 -21.153 -22.204 1.00 0.00 C ATOM 899 CG ARG A 57 81.382 -22.272 -23.243 1.00 0.00 C ATOM 900 CD ARG A 57 81.956 -21.728 -24.552 1.00 0.00 C ATOM 901 NE ARG A 57 81.790 -22.705 -25.620 1.00 0.00 N ATOM 902 CZ ARG A 57 81.916 -22.355 -26.897 1.00 0.00 C ATOM 903 NH1 ARG A 57 82.203 -21.122 -27.209 1.00 0.00 N ATOM 904 NH2 ARG A 57 81.754 -23.247 -27.836 1.00 0.00 N ATOM 0 H ARG A 57 78.754 -21.513 -21.363 1.00 0.00 H new ATOM 0 HA ARG A 57 81.427 -22.531 -20.549 1.00 0.00 H new ATOM 0 HB2 ARG A 57 80.682 -20.347 -22.557 1.00 0.00 H new ATOM 0 HB3 ARG A 57 82.318 -20.728 -22.057 1.00 0.00 H new ATOM 0 HG2 ARG A 57 82.000 -23.092 -22.876 1.00 0.00 H new ATOM 0 HG3 ARG A 57 80.384 -22.676 -23.412 1.00 0.00 H new ATOM 0 HD2 ARG A 57 81.454 -20.798 -24.819 1.00 0.00 H new ATOM 0 HD3 ARG A 57 83.013 -21.494 -24.424 1.00 0.00 H new ATOM 0 HE ARG A 57 81.574 -23.674 -25.384 1.00 0.00 H new ATOM 0 HH11 ARG A 57 82.331 -20.426 -26.474 1.00 0.00 H new ATOM 0 HH12 ARG A 57 82.300 -20.853 -28.188 1.00 0.00 H new ATOM 0 HH21 ARG A 57 81.531 -24.211 -27.590 1.00 0.00 H new ATOM 0 HH22 ARG A 57 81.850 -22.980 -28.816 1.00 0.00 H new ATOM 918 N GLN A 58 81.907 -20.522 -19.073 1.00 0.00 N ATOM 919 CA GLN A 58 82.001 -19.513 -18.020 1.00 0.00 C ATOM 920 C GLN A 58 83.408 -18.944 -17.897 1.00 0.00 C ATOM 921 O GLN A 58 84.380 -19.548 -18.352 1.00 0.00 O ATOM 922 CB GLN A 58 81.600 -20.130 -16.677 1.00 0.00 C ATOM 923 CG GLN A 58 82.750 -20.974 -16.118 1.00 0.00 C ATOM 924 CD GLN A 58 82.265 -21.765 -14.907 1.00 0.00 C ATOM 925 OE1 GLN A 58 82.988 -22.616 -14.389 1.00 0.00 O ATOM 926 NE2 GLN A 58 81.077 -21.531 -14.421 1.00 0.00 N ATOM 0 H GLN A 58 82.728 -21.118 -19.173 1.00 0.00 H new ATOM 0 HA GLN A 58 81.326 -18.700 -18.288 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.340 -19.342 -15.970 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.712 -20.750 -16.804 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.121 -21.655 -16.885 1.00 0.00 H new ATOM 0 HG3 GLN A 58 83.582 -20.330 -15.834 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.480 -20.825 -14.852 1.00 0.00 H new ATOM 0 HE22 GLN A 58 80.746 -22.054 -13.610 1.00 0.00 H new ATOM 935 N TYR A 59 83.508 -17.786 -17.245 1.00 0.00 N ATOM 936 CA TYR A 59 84.803 -17.151 -17.030 1.00 0.00 C ATOM 937 C TYR A 59 85.130 -17.164 -15.537 1.00 0.00 C ATOM 938 O TYR A 59 84.410 -16.578 -14.726 1.00 0.00 O ATOM 939 CB TYR A 59 84.781 -15.714 -17.546 1.00 0.00 C ATOM 940 CG TYR A 59 84.360 -15.708 -18.996 1.00 0.00 C ATOM 941 CD1 TYR A 59 85.305 -15.950 -20.000 1.00 0.00 C ATOM 942 CD2 TYR A 59 83.023 -15.465 -19.335 1.00 0.00 C ATOM 943 CE1 TYR A 59 84.914 -15.948 -21.343 1.00 0.00 C ATOM 944 CE2 TYR A 59 82.632 -15.463 -20.679 1.00 0.00 C ATOM 945 CZ TYR A 59 83.578 -15.704 -21.683 1.00 0.00 C ATOM 946 OH TYR A 59 83.192 -15.703 -23.007 1.00 0.00 O ATOM 0 H TYR A 59 82.714 -17.274 -16.860 1.00 0.00 H new ATOM 0 HA TYR A 59 85.568 -17.703 -17.576 1.00 0.00 H new ATOM 0 HB2 TYR A 59 84.091 -15.114 -16.953 1.00 0.00 H new ATOM 0 HB3 TYR A 59 85.768 -15.263 -17.441 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.336 -16.138 -19.738 1.00 0.00 H new ATOM 0 HD2 TYR A 59 82.294 -15.279 -18.560 1.00 0.00 H new ATOM 0 HE1 TYR A 59 85.643 -16.135 -22.118 1.00 0.00 H new ATOM 0 HE2 TYR A 59 81.601 -15.276 -20.942 1.00 0.00 H new ATOM 0 HH TYR A 59 83.838 -15.189 -23.536 1.00 0.00 H new ATOM 956 N ASP A 60 86.195 -17.874 -15.184 1.00 0.00 N ATOM 957 CA ASP A 60 86.603 -18.014 -13.788 1.00 0.00 C ATOM 958 C ASP A 60 87.175 -16.729 -13.188 1.00 0.00 C ATOM 959 O ASP A 60 87.145 -16.556 -11.969 1.00 0.00 O ATOM 960 CB ASP A 60 87.642 -19.128 -13.671 1.00 0.00 C ATOM 961 CG ASP A 60 86.994 -20.477 -13.962 1.00 0.00 C ATOM 962 OD1 ASP A 60 85.778 -20.522 -14.048 1.00 0.00 O ATOM 963 OD2 ASP A 60 87.723 -21.447 -14.091 1.00 0.00 O ATOM 0 H ASP A 60 86.795 -18.364 -15.847 1.00 0.00 H new ATOM 0 HA ASP A 60 85.703 -18.255 -13.223 1.00 0.00 H new ATOM 0 HB2 ASP A 60 88.459 -18.949 -14.370 1.00 0.00 H new ATOM 0 HB3 ASP A 60 88.073 -19.131 -12.670 1.00 0.00 H new ATOM 968 N GLN A 61 87.718 -15.840 -14.013 1.00 0.00 N ATOM 969 CA GLN A 61 88.301 -14.611 -13.482 1.00 0.00 C ATOM 970 C GLN A 61 87.930 -13.403 -14.334 1.00 0.00 C ATOM 971 O GLN A 61 88.789 -12.786 -14.964 1.00 0.00 O ATOM 972 CB GLN A 61 89.823 -14.747 -13.417 1.00 0.00 C ATOM 973 CG GLN A 61 90.410 -13.571 -12.632 1.00 0.00 C ATOM 974 CD GLN A 61 91.932 -13.651 -12.640 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.556 -13.513 -13.692 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.571 -13.868 -11.522 1.00 0.00 N ATOM 0 H GLN A 61 87.767 -15.941 -15.027 1.00 0.00 H new ATOM 0 HA GLN A 61 87.900 -14.454 -12.481 1.00 0.00 H new ATOM 0 HB2 GLN A 61 90.094 -15.688 -12.939 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.240 -14.769 -14.424 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.084 -12.629 -13.073 1.00 0.00 H new ATOM 0 HG3 GLN A 61 90.042 -13.587 -11.606 1.00 0.00 H new ATOM 0 HE21 GLN A 61 92.052 -13.982 -10.652 1.00 0.00 H new ATOM 0 HE22 GLN A 61 93.589 -13.923 -11.519 1.00 0.00 H new ATOM 985 N ILE A 62 86.649 -13.071 -14.340 1.00 0.00 N ATOM 986 CA ILE A 62 86.168 -11.929 -15.108 1.00 0.00 C ATOM 987 C ILE A 62 85.641 -10.850 -14.164 1.00 0.00 C ATOM 988 O ILE A 62 85.107 -11.156 -13.095 1.00 0.00 O ATOM 989 CB ILE A 62 85.061 -12.376 -16.063 1.00 0.00 C ATOM 990 CG1 ILE A 62 84.710 -11.240 -17.028 1.00 0.00 C ATOM 991 CG2 ILE A 62 83.817 -12.757 -15.260 1.00 0.00 C ATOM 992 CD1 ILE A 62 84.222 -11.839 -18.347 1.00 0.00 C ATOM 0 H ILE A 62 85.925 -13.572 -13.825 1.00 0.00 H new ATOM 0 HA ILE A 62 86.993 -11.517 -15.689 1.00 0.00 H new ATOM 0 HB ILE A 62 85.411 -13.237 -16.633 1.00 0.00 H new ATOM 0 HG12 ILE A 62 83.938 -10.604 -16.595 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.583 -10.610 -17.201 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.028 -13.076 -15.941 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.059 -13.572 -14.579 1.00 0.00 H new ATOM 0 HG23 ILE A 62 83.476 -11.895 -14.687 1.00 0.00 H new ATOM 0 HD11 ILE A 62 83.970 -11.036 -19.040 1.00 0.00 H new ATOM 0 HD12 ILE A 62 85.009 -12.457 -18.779 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.339 -12.451 -18.164 1.00 0.00 H new ATOM 1004 N ILE A 63 85.815 -9.588 -14.551 1.00 0.00 N ATOM 1005 CA ILE A 63 85.374 -8.481 -13.717 1.00 0.00 C ATOM 1006 C ILE A 63 84.098 -7.848 -14.264 1.00 0.00 C ATOM 1007 O ILE A 63 83.938 -7.687 -15.474 1.00 0.00 O ATOM 1008 CB ILE A 63 86.488 -7.434 -13.646 1.00 0.00 C ATOM 1009 CG1 ILE A 63 86.648 -6.733 -15.001 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.805 -8.119 -13.282 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.768 -5.696 -14.906 1.00 0.00 C ATOM 0 H ILE A 63 86.254 -9.312 -15.429 1.00 0.00 H new ATOM 0 HA ILE A 63 85.155 -8.862 -12.719 1.00 0.00 H new ATOM 0 HB ILE A 63 86.227 -6.695 -12.889 1.00 0.00 H new ATOM 0 HG12 ILE A 63 86.879 -7.464 -15.776 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.713 -6.250 -15.286 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.600 -7.375 -13.231 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.704 -8.610 -12.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 88.051 -8.861 -14.041 1.00 0.00 H new ATOM 0 HD11 ILE A 63 87.884 -5.196 -15.868 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.518 -4.960 -14.142 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.701 -6.192 -14.640 1.00 0.00 H new ATOM 1023 N ILE A 64 83.198 -7.486 -13.356 1.00 0.00 N ATOM 1024 CA ILE A 64 81.937 -6.864 -13.739 1.00 0.00 C ATOM 1025 C ILE A 64 81.807 -5.487 -13.094 1.00 0.00 C ATOM 1026 O ILE A 64 82.114 -5.315 -11.915 1.00 0.00 O ATOM 1027 CB ILE A 64 80.766 -7.745 -13.301 1.00 0.00 C ATOM 1028 CG1 ILE A 64 80.915 -9.136 -13.924 1.00 0.00 C ATOM 1029 CG2 ILE A 64 79.453 -7.113 -13.767 1.00 0.00 C ATOM 1030 CD1 ILE A 64 79.849 -10.073 -13.350 1.00 0.00 C ATOM 0 H ILE A 64 83.319 -7.613 -12.351 1.00 0.00 H new ATOM 0 HA ILE A 64 81.921 -6.752 -14.823 1.00 0.00 H new ATOM 0 HB ILE A 64 80.761 -7.833 -12.215 1.00 0.00 H new ATOM 0 HG12 ILE A 64 80.813 -9.073 -15.007 1.00 0.00 H new ATOM 0 HG13 ILE A 64 81.910 -9.532 -13.720 1.00 0.00 H new ATOM 0 HG21 ILE A 64 78.617 -7.739 -13.456 1.00 0.00 H new ATOM 0 HG22 ILE A 64 79.349 -6.122 -13.324 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.456 -7.026 -14.854 1.00 0.00 H new ATOM 0 HD11 ILE A 64 79.957 -11.062 -13.795 1.00 0.00 H new ATOM 0 HD12 ILE A 64 79.972 -10.145 -12.269 1.00 0.00 H new ATOM 0 HD13 ILE A 64 78.858 -9.679 -13.577 1.00 0.00 H new ATOM 1042 N GLU A 65 81.348 -4.511 -13.872 1.00 0.00 N ATOM 1043 CA GLU A 65 81.181 -3.157 -13.354 1.00 0.00 C ATOM 1044 C GLU A 65 79.701 -2.815 -13.220 1.00 0.00 C ATOM 1045 O GLU A 65 78.937 -2.936 -14.177 1.00 0.00 O ATOM 1046 CB GLU A 65 81.856 -2.156 -14.294 1.00 0.00 C ATOM 1047 CG GLU A 65 83.348 -2.480 -14.395 1.00 0.00 C ATOM 1048 CD GLU A 65 84.051 -1.439 -15.260 1.00 0.00 C ATOM 1049 OE1 GLU A 65 83.362 -0.638 -15.867 1.00 0.00 O ATOM 1050 OE2 GLU A 65 85.271 -1.459 -15.301 1.00 0.00 O ATOM 0 H GLU A 65 81.088 -4.629 -14.851 1.00 0.00 H new ATOM 0 HA GLU A 65 81.645 -3.102 -12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 65 81.396 -2.200 -15.281 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.717 -1.141 -13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.793 -2.498 -13.400 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.485 -3.473 -14.823 1.00 0.00 H new ATOM 1057 N ILE A 66 79.302 -2.381 -12.027 1.00 0.00 N ATOM 1058 CA ILE A 66 77.909 -2.018 -11.782 1.00 0.00 C ATOM 1059 C ILE A 66 77.815 -0.622 -11.176 1.00 0.00 C ATOM 1060 O ILE A 66 78.428 -0.342 -10.145 1.00 0.00 O ATOM 1061 CB ILE A 66 77.261 -3.030 -10.835 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.367 -4.432 -11.442 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.788 -2.665 -10.635 1.00 0.00 C ATOM 1064 CD1 ILE A 66 76.876 -5.469 -10.429 1.00 0.00 C ATOM 0 H ILE A 66 79.918 -2.273 -11.221 1.00 0.00 H new ATOM 0 HA ILE A 66 77.382 -2.024 -12.736 1.00 0.00 H new ATOM 0 HB ILE A 66 77.772 -3.013 -9.872 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.773 -4.490 -12.354 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.400 -4.642 -11.720 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.323 -3.384 -9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.716 -1.666 -10.206 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.275 -2.685 -11.596 1.00 0.00 H new ATOM 0 HD11 ILE A 66 76.952 -6.466 -10.863 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.489 -5.417 -9.529 1.00 0.00 H new ATOM 0 HD13 ILE A 66 75.837 -5.263 -10.173 1.00 0.00 H new ATOM 1076 N ALA A 67 77.046 0.253 -11.815 1.00 0.00 N ATOM 1077 CA ALA A 67 76.888 1.615 -11.319 1.00 0.00 C ATOM 1078 C ALA A 67 78.217 2.358 -11.373 1.00 0.00 C ATOM 1079 O ALA A 67 78.332 3.398 -12.023 1.00 0.00 O ATOM 1080 CB ALA A 67 76.371 1.589 -9.880 1.00 0.00 C ATOM 0 H ALA A 67 76.527 0.047 -12.669 1.00 0.00 H new ATOM 0 HA ALA A 67 76.168 2.134 -11.952 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.256 2.610 -9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.407 1.081 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 67 77.082 1.057 -9.248 1.00 0.00 H new ATOM 1086 N GLY A 68 79.221 1.820 -10.687 1.00 0.00 N ATOM 1087 CA GLY A 68 80.537 2.447 -10.672 1.00 0.00 C ATOM 1088 C GLY A 68 81.498 1.710 -9.742 1.00 0.00 C ATOM 1089 O GLY A 68 82.462 2.295 -9.248 1.00 0.00 O ATOM 0 H GLY A 68 79.150 0.962 -10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 68 80.946 2.461 -11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.443 3.485 -10.352 1.00 0.00 H new ATOM 1093 N HIS A 69 81.238 0.428 -9.505 1.00 0.00 N ATOM 1094 CA HIS A 69 82.098 -0.363 -8.632 1.00 0.00 C ATOM 1095 C HIS A 69 82.612 -1.596 -9.366 1.00 0.00 C ATOM 1096 O HIS A 69 81.870 -2.247 -10.102 1.00 0.00 O ATOM 1097 CB HIS A 69 81.326 -0.792 -7.382 1.00 0.00 C ATOM 1098 CG HIS A 69 82.245 -1.547 -6.461 1.00 0.00 C ATOM 1099 ND1 HIS A 69 83.354 -0.955 -5.875 1.00 0.00 N ATOM 1100 CD2 HIS A 69 82.233 -2.845 -6.017 1.00 0.00 C ATOM 1101 CE1 HIS A 69 83.959 -1.889 -5.119 1.00 0.00 C ATOM 1102 NE2 HIS A 69 83.317 -3.059 -5.170 1.00 0.00 N ATOM 0 H HIS A 69 80.447 -0.081 -9.900 1.00 0.00 H new ATOM 0 HA HIS A 69 82.948 0.251 -8.336 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.922 0.083 -6.873 1.00 0.00 H new ATOM 0 HB3 HIS A 69 80.479 -1.418 -7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 69 81.495 -3.587 -6.284 1.00 0.00 H new ATOM 0 HE1 HIS A 69 84.855 -1.714 -4.541 1.00 0.00 H new ATOM 0 HE2 HIS A 69 83.567 -3.924 -4.691 1.00 0.00 H new ATOM 1111 N LYS A 70 83.887 -1.911 -9.164 1.00 0.00 N ATOM 1112 CA LYS A 70 84.490 -3.067 -9.814 1.00 0.00 C ATOM 1113 C LYS A 70 84.413 -4.290 -8.905 1.00 0.00 C ATOM 1114 O LYS A 70 84.654 -4.193 -7.702 1.00 0.00 O ATOM 1115 CB LYS A 70 85.953 -2.768 -10.146 1.00 0.00 C ATOM 1116 CG LYS A 70 86.025 -1.572 -11.098 1.00 0.00 C ATOM 1117 CD LYS A 70 87.478 -1.341 -11.519 1.00 0.00 C ATOM 1118 CE LYS A 70 87.577 -0.040 -12.319 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.470 -0.243 -13.494 1.00 0.00 N ATOM 0 H LYS A 70 84.519 -1.386 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 70 83.942 -3.276 -10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.508 -2.554 -9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.419 -3.640 -10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 70 85.406 -1.755 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 70 85.631 -0.681 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 70 88.119 -1.289 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.831 -2.178 -12.121 1.00 0.00 H new ATOM 0 HE2 LYS A 70 86.587 0.271 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 70 87.966 0.759 -11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 88.536 0.642 -14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 89.417 -0.520 -13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 88.081 -0.993 -14.101 1.00 0.00 H new ATOM 1133 N ALA A 71 84.079 -5.439 -9.486 1.00 0.00 N ATOM 1134 CA ALA A 71 83.978 -6.672 -8.713 1.00 0.00 C ATOM 1135 C ALA A 71 84.493 -7.857 -9.525 1.00 0.00 C ATOM 1136 O ALA A 71 84.385 -7.876 -10.750 1.00 0.00 O ATOM 1137 CB ALA A 71 82.522 -6.919 -8.313 1.00 0.00 C ATOM 0 H ALA A 71 83.875 -5.542 -10.480 1.00 0.00 H new ATOM 0 HA ALA A 71 84.589 -6.568 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.455 -7.841 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 71 82.164 -6.086 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.908 -7.006 -9.209 1.00 0.00 H new ATOM 1143 N ILE A 72 85.058 -8.843 -8.832 1.00 0.00 N ATOM 1144 CA ILE A 72 85.594 -10.025 -9.501 1.00 0.00 C ATOM 1145 C ILE A 72 84.877 -11.289 -9.033 1.00 0.00 C ATOM 1146 O ILE A 72 84.754 -11.531 -7.832 1.00 0.00 O ATOM 1147 CB ILE A 72 87.086 -10.155 -9.199 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.800 -8.860 -9.595 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.668 -11.326 -9.995 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.263 -8.920 -9.153 1.00 0.00 C ATOM 0 H ILE A 72 85.156 -8.848 -7.817 1.00 0.00 H new ATOM 0 HA ILE A 72 85.438 -9.910 -10.574 1.00 0.00 H new ATOM 0 HB ILE A 72 87.228 -10.336 -8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.742 -8.717 -10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.306 -8.005 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.732 -11.419 -9.780 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.159 -12.247 -9.712 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.528 -11.147 -11.061 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.767 -7.996 -9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.311 -9.042 -8.071 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.755 -9.765 -9.636 1.00 0.00 H new ATOM 1162 N GLY A 73 84.409 -12.094 -9.983 1.00 0.00 N ATOM 1163 CA GLY A 73 83.713 -13.329 -9.638 1.00 0.00 C ATOM 1164 C GLY A 73 83.463 -14.190 -10.874 1.00 0.00 C ATOM 1165 O GLY A 73 83.729 -13.772 -12.000 1.00 0.00 O ATOM 0 H GLY A 73 84.497 -11.917 -10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 73 84.303 -13.891 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 73 82.763 -13.092 -9.159 1.00 0.00 H new ATOM 1169 N THR A 74 82.950 -15.396 -10.647 1.00 0.00 N ATOM 1170 CA THR A 74 82.663 -16.319 -11.742 1.00 0.00 C ATOM 1171 C THR A 74 81.367 -15.926 -12.440 1.00 0.00 C ATOM 1172 O THR A 74 80.416 -15.489 -11.792 1.00 0.00 O ATOM 1173 CB THR A 74 82.544 -17.747 -11.205 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.716 -18.076 -10.474 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.377 -18.721 -12.373 1.00 0.00 C ATOM 0 H THR A 74 82.725 -15.756 -9.720 1.00 0.00 H new ATOM 0 HA THR A 74 83.481 -16.271 -12.460 1.00 0.00 H new ATOM 0 HB THR A 74 81.676 -17.818 -10.550 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.640 -18.990 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.292 -19.738 -11.990 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.476 -18.468 -12.932 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.243 -18.652 -13.031 1.00 0.00 H new ATOM 1183 N VAL A 75 81.329 -16.078 -13.761 1.00 0.00 N ATOM 1184 CA VAL A 75 80.129 -15.721 -14.508 1.00 0.00 C ATOM 1185 C VAL A 75 79.753 -16.791 -15.533 1.00 0.00 C ATOM 1186 O VAL A 75 80.361 -16.882 -16.602 1.00 0.00 O ATOM 1187 CB VAL A 75 80.350 -14.393 -15.232 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.008 -13.858 -15.732 1.00 0.00 C ATOM 1189 CG2 VAL A 75 80.973 -13.380 -14.269 1.00 0.00 C ATOM 0 H VAL A 75 82.098 -16.438 -14.326 1.00 0.00 H new ATOM 0 HA VAL A 75 79.311 -15.635 -13.792 1.00 0.00 H new ATOM 0 HB VAL A 75 81.020 -14.549 -16.077 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.164 -12.911 -16.249 1.00 0.00 H new ATOM 0 HG12 VAL A 75 78.563 -14.577 -16.419 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.339 -13.704 -14.885 1.00 0.00 H new ATOM 0 HG21 VAL A 75 81.130 -12.434 -14.787 1.00 0.00 H new ATOM 0 HG22 VAL A 75 80.304 -13.224 -13.423 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.930 -13.760 -13.910 1.00 0.00 H new ATOM 1199 N LEU A 76 78.757 -17.608 -15.187 1.00 0.00 N ATOM 1200 CA LEU A 76 78.305 -18.678 -16.072 1.00 0.00 C ATOM 1201 C LEU A 76 77.486 -18.114 -17.229 1.00 0.00 C ATOM 1202 O LEU A 76 76.487 -17.429 -17.020 1.00 0.00 O ATOM 1203 CB LEU A 76 77.443 -19.667 -15.275 1.00 0.00 C ATOM 1204 CG LEU A 76 77.061 -20.869 -16.154 1.00 0.00 C ATOM 1205 CD1 LEU A 76 78.272 -21.783 -16.368 1.00 0.00 C ATOM 1206 CD2 LEU A 76 75.948 -21.661 -15.464 1.00 0.00 C ATOM 0 H LEU A 76 78.251 -17.548 -14.303 1.00 0.00 H new ATOM 0 HA LEU A 76 79.179 -19.186 -16.479 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.989 -20.009 -14.396 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.542 -19.169 -14.917 1.00 0.00 H new ATOM 0 HG LEU A 76 76.719 -20.505 -17.123 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.984 -22.629 -16.992 1.00 0.00 H new ATOM 0 HD12 LEU A 76 79.068 -21.223 -16.860 1.00 0.00 H new ATOM 0 HD13 LEU A 76 78.627 -22.148 -15.404 1.00 0.00 H new ATOM 0 HD21 LEU A 76 75.672 -22.515 -16.082 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.300 -22.013 -14.494 1.00 0.00 H new ATOM 0 HD23 LEU A 76 75.078 -21.019 -15.323 1.00 0.00 H new ATOM 1218 N VAL A 77 77.920 -18.404 -18.451 1.00 0.00 N ATOM 1219 CA VAL A 77 77.219 -17.917 -19.635 1.00 0.00 C ATOM 1220 C VAL A 77 76.475 -19.058 -20.324 1.00 0.00 C ATOM 1221 O VAL A 77 77.042 -20.125 -20.571 1.00 0.00 O ATOM 1222 CB VAL A 77 78.219 -17.292 -20.611 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.470 -16.655 -21.782 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.032 -16.219 -19.884 1.00 0.00 C ATOM 0 H VAL A 77 78.746 -18.969 -18.648 1.00 0.00 H new ATOM 0 HA VAL A 77 76.495 -17.164 -19.324 1.00 0.00 H new ATOM 0 HB VAL A 77 78.886 -18.066 -20.990 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.186 -16.212 -22.474 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.889 -17.418 -22.300 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.800 -15.881 -21.408 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.745 -15.772 -20.576 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.361 -15.448 -19.506 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.570 -16.672 -19.051 1.00 0.00 H new ATOM 1234 N GLY A 78 75.200 -18.824 -20.630 1.00 0.00 N ATOM 1235 CA GLY A 78 74.380 -19.837 -21.287 1.00 0.00 C ATOM 1236 C GLY A 78 73.426 -19.201 -22.298 1.00 0.00 C ATOM 1237 O GLY A 78 73.309 -17.979 -22.379 1.00 0.00 O ATOM 0 H GLY A 78 74.716 -17.948 -20.435 1.00 0.00 H new ATOM 0 HA2 GLY A 78 75.023 -20.558 -21.792 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.809 -20.388 -20.540 1.00 0.00 H new ATOM 1241 N PRO A 79 72.755 -20.017 -23.069 1.00 0.00 N ATOM 1242 CA PRO A 79 71.791 -19.552 -24.115 1.00 0.00 C ATOM 1243 C PRO A 79 70.631 -18.737 -23.543 1.00 0.00 C ATOM 1244 O PRO A 79 69.951 -18.016 -24.276 1.00 0.00 O ATOM 1245 CB PRO A 79 71.276 -20.847 -24.756 1.00 0.00 C ATOM 1246 CG PRO A 79 71.612 -21.941 -23.797 1.00 0.00 C ATOM 1247 CD PRO A 79 72.845 -21.481 -23.025 1.00 0.00 C ATOM 0 HA PRO A 79 72.277 -18.881 -24.823 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.201 -20.796 -24.929 1.00 0.00 H new ATOM 0 HB3 PRO A 79 71.747 -21.018 -25.724 1.00 0.00 H new ATOM 0 HG2 PRO A 79 70.780 -22.132 -23.120 1.00 0.00 H new ATOM 0 HG3 PRO A 79 71.812 -22.873 -24.327 1.00 0.00 H new ATOM 0 HD2 PRO A 79 72.838 -21.852 -22.000 1.00 0.00 H new ATOM 0 HD3 PRO A 79 73.764 -21.840 -23.488 1.00 0.00 H new ATOM 1255 N THR A 80 70.397 -18.860 -22.242 1.00 0.00 N ATOM 1256 CA THR A 80 69.304 -18.134 -21.604 1.00 0.00 C ATOM 1257 C THR A 80 69.247 -16.690 -22.115 1.00 0.00 C ATOM 1258 O THR A 80 70.283 -16.084 -22.391 1.00 0.00 O ATOM 1259 CB THR A 80 69.496 -18.137 -20.084 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.501 -17.323 -19.481 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.881 -17.591 -19.739 1.00 0.00 C ATOM 0 H THR A 80 70.943 -19.449 -21.613 1.00 0.00 H new ATOM 0 HA THR A 80 68.366 -18.630 -21.852 1.00 0.00 H new ATOM 0 HB THR A 80 69.408 -19.157 -19.710 1.00 0.00 H new ATOM 0 HG1 THR A 80 68.622 -17.325 -18.508 1.00 0.00 H new ATOM 0 HG21 THR A 80 71.014 -17.594 -18.657 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.644 -18.217 -20.201 1.00 0.00 H new ATOM 0 HG23 THR A 80 70.974 -16.571 -20.113 1.00 0.00 H new ATOM 1269 N PRO A 81 68.065 -16.133 -22.257 1.00 0.00 N ATOM 1270 CA PRO A 81 67.887 -14.735 -22.755 1.00 0.00 C ATOM 1271 C PRO A 81 68.402 -13.688 -21.767 1.00 0.00 C ATOM 1272 O PRO A 81 68.472 -13.934 -20.563 1.00 0.00 O ATOM 1273 CB PRO A 81 66.375 -14.603 -22.958 1.00 0.00 C ATOM 1274 CG PRO A 81 65.760 -15.630 -22.070 1.00 0.00 C ATOM 1275 CD PRO A 81 66.770 -16.770 -21.958 1.00 0.00 C ATOM 0 HA PRO A 81 68.459 -14.558 -23.666 1.00 0.00 H new ATOM 0 HB2 PRO A 81 66.030 -13.602 -22.697 1.00 0.00 H new ATOM 0 HB3 PRO A 81 66.103 -14.772 -24.000 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.538 -15.211 -21.089 1.00 0.00 H new ATOM 0 HG3 PRO A 81 64.817 -15.987 -22.485 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.764 -17.212 -20.962 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.547 -17.571 -22.663 1.00 0.00 H new ATOM 1283 N VAL A 82 68.756 -12.519 -22.293 1.00 0.00 N ATOM 1284 CA VAL A 82 69.261 -11.425 -21.465 1.00 0.00 C ATOM 1285 C VAL A 82 70.169 -11.950 -20.357 1.00 0.00 C ATOM 1286 O VAL A 82 70.727 -13.044 -20.459 1.00 0.00 O ATOM 1287 CB VAL A 82 68.097 -10.650 -20.843 1.00 0.00 C ATOM 1288 CG1 VAL A 82 68.424 -9.155 -20.842 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.821 -10.888 -21.655 1.00 0.00 C ATOM 0 H VAL A 82 68.703 -12.304 -23.289 1.00 0.00 H new ATOM 0 HA VAL A 82 69.840 -10.761 -22.107 1.00 0.00 H new ATOM 0 HB VAL A 82 67.943 -10.994 -19.820 1.00 0.00 H new ATOM 0 HG11 VAL A 82 67.596 -8.602 -20.399 1.00 0.00 H new ATOM 0 HG12 VAL A 82 69.329 -8.981 -20.260 1.00 0.00 H new ATOM 0 HG13 VAL A 82 68.580 -8.816 -21.866 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.996 -10.334 -21.207 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.973 -10.548 -22.679 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.584 -11.952 -21.657 1.00 0.00 H new ATOM 1299 N ASN A 83 70.320 -11.154 -19.302 1.00 0.00 N ATOM 1300 CA ASN A 83 71.171 -11.541 -18.180 1.00 0.00 C ATOM 1301 C ASN A 83 70.405 -11.454 -16.862 1.00 0.00 C ATOM 1302 O ASN A 83 69.536 -10.599 -16.692 1.00 0.00 O ATOM 1303 CB ASN A 83 72.400 -10.630 -18.115 1.00 0.00 C ATOM 1304 CG ASN A 83 73.011 -10.483 -19.504 1.00 0.00 C ATOM 1305 OD1 ASN A 83 73.565 -9.433 -19.833 1.00 0.00 O ATOM 1306 ND2 ASN A 83 72.939 -11.476 -20.347 1.00 0.00 N ATOM 0 H ASN A 83 69.869 -10.245 -19.200 1.00 0.00 H new ATOM 0 HA ASN A 83 71.488 -12.572 -18.335 1.00 0.00 H new ATOM 0 HB2 ASN A 83 72.118 -9.651 -17.727 1.00 0.00 H new ATOM 0 HB3 ASN A 83 73.136 -11.046 -17.427 1.00 0.00 H new ATOM 0 HD21 ASN A 83 73.342 -11.383 -21.280 1.00 0.00 H new ATOM 0 HD22 ASN A 83 72.480 -12.345 -20.074 1.00 0.00 H new ATOM 1313 N ILE A 84 70.746 -12.338 -15.929 1.00 0.00 N ATOM 1314 CA ILE A 84 70.098 -12.349 -14.622 1.00 0.00 C ATOM 1315 C ILE A 84 71.148 -12.315 -13.516 1.00 0.00 C ATOM 1316 O ILE A 84 72.159 -13.012 -13.592 1.00 0.00 O ATOM 1317 CB ILE A 84 69.234 -13.603 -14.476 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.558 -13.598 -13.103 1.00 0.00 C ATOM 1319 CG2 ILE A 84 70.112 -14.849 -14.606 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.494 -14.698 -13.049 1.00 0.00 C ATOM 0 H ILE A 84 71.463 -13.052 -16.053 1.00 0.00 H new ATOM 0 HA ILE A 84 69.464 -11.467 -14.538 1.00 0.00 H new ATOM 0 HB ILE A 84 68.474 -13.612 -15.257 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.300 -13.757 -12.321 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.101 -12.627 -12.915 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.495 -15.741 -14.502 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.595 -14.854 -15.583 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.873 -14.841 -13.826 1.00 0.00 H new ATOM 0 HD11 ILE A 84 67.014 -14.692 -12.070 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.746 -14.519 -13.821 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.964 -15.667 -13.217 1.00 0.00 H new ATOM 1332 N ILE A 85 70.909 -11.502 -12.491 1.00 0.00 N ATOM 1333 CA ILE A 85 71.855 -11.396 -11.383 1.00 0.00 C ATOM 1334 C ILE A 85 71.250 -11.951 -10.098 1.00 0.00 C ATOM 1335 O ILE A 85 70.123 -11.611 -9.728 1.00 0.00 O ATOM 1336 CB ILE A 85 72.256 -9.936 -11.175 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.843 -9.379 -12.475 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.307 -9.852 -10.066 1.00 0.00 C ATOM 1339 CD1 ILE A 85 73.083 -7.875 -12.332 1.00 0.00 C ATOM 0 H ILE A 85 70.080 -10.914 -12.404 1.00 0.00 H new ATOM 0 HA ILE A 85 72.739 -11.983 -11.632 1.00 0.00 H new ATOM 0 HB ILE A 85 71.379 -9.353 -10.892 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.780 -9.886 -12.708 1.00 0.00 H new ATOM 0 HG13 ILE A 85 72.162 -9.571 -13.304 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.595 -8.812 -9.916 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.892 -10.251 -9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 85 74.184 -10.433 -10.351 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.501 -7.483 -13.260 1.00 0.00 H new ATOM 0 HD12 ILE A 85 72.138 -7.374 -12.120 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.781 -7.694 -11.515 1.00 0.00 H new ATOM 1351 N GLY A 86 72.009 -12.813 -9.426 1.00 0.00 N ATOM 1352 CA GLY A 86 71.550 -13.424 -8.185 1.00 0.00 C ATOM 1353 C GLY A 86 71.931 -12.581 -6.971 1.00 0.00 C ATOM 1354 O GLY A 86 72.501 -11.497 -7.104 1.00 0.00 O ATOM 0 H GLY A 86 72.942 -13.102 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.468 -13.548 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.982 -14.420 -8.087 1.00 0.00 H new ATOM 1358 N ARG A 87 71.602 -13.091 -5.789 1.00 0.00 N ATOM 1359 CA ARG A 87 71.894 -12.394 -4.544 1.00 0.00 C ATOM 1360 C ARG A 87 73.398 -12.263 -4.309 1.00 0.00 C ATOM 1361 O ARG A 87 73.835 -11.436 -3.510 1.00 0.00 O ATOM 1362 CB ARG A 87 71.265 -13.151 -3.374 1.00 0.00 C ATOM 1363 CG ARG A 87 72.086 -14.409 -3.077 1.00 0.00 C ATOM 1364 CD ARG A 87 71.298 -15.325 -2.139 1.00 0.00 C ATOM 1365 NE ARG A 87 70.936 -14.616 -0.919 1.00 0.00 N ATOM 1366 CZ ARG A 87 69.988 -15.080 -0.110 1.00 0.00 C ATOM 1367 NH1 ARG A 87 69.365 -16.188 -0.405 1.00 0.00 N ATOM 1368 NH2 ARG A 87 69.681 -14.429 0.978 1.00 0.00 N ATOM 0 H ARG A 87 71.131 -13.988 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 87 71.473 -11.391 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 87 71.228 -12.512 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.237 -13.423 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.316 -14.933 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.037 -14.136 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.398 -15.681 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.895 -16.203 -1.893 1.00 0.00 H new ATOM 0 HE ARG A 87 71.418 -13.749 -0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 87 69.605 -16.697 -1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 87 68.638 -16.545 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 87 70.168 -13.563 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 87 68.954 -14.786 1.598 1.00 0.00 H new ATOM 1382 N ASN A 88 74.187 -13.086 -4.993 1.00 0.00 N ATOM 1383 CA ASN A 88 75.637 -13.040 -4.818 1.00 0.00 C ATOM 1384 C ASN A 88 76.182 -11.636 -5.084 1.00 0.00 C ATOM 1385 O ASN A 88 77.033 -11.147 -4.342 1.00 0.00 O ATOM 1386 CB ASN A 88 76.314 -14.057 -5.745 1.00 0.00 C ATOM 1387 CG ASN A 88 76.224 -13.601 -7.196 1.00 0.00 C ATOM 1388 OD1 ASN A 88 75.327 -12.838 -7.557 1.00 0.00 O ATOM 1389 ND2 ASN A 88 77.111 -14.025 -8.057 1.00 0.00 N ATOM 0 H ASN A 88 73.856 -13.781 -5.662 1.00 0.00 H new ATOM 0 HA ASN A 88 75.861 -13.297 -3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 88 77.359 -14.178 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 88 75.839 -15.032 -5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 88 77.061 -13.724 -9.030 1.00 0.00 H new ATOM 0 HD22 ASN A 88 77.853 -14.657 -7.756 1.00 0.00 H new ATOM 1396 N LEU A 89 75.684 -10.986 -6.133 1.00 0.00 N ATOM 1397 CA LEU A 89 76.135 -9.635 -6.461 1.00 0.00 C ATOM 1398 C LEU A 89 75.251 -8.579 -5.797 1.00 0.00 C ATOM 1399 O LEU A 89 75.748 -7.565 -5.306 1.00 0.00 O ATOM 1400 CB LEU A 89 76.129 -9.424 -7.979 1.00 0.00 C ATOM 1401 CG LEU A 89 77.492 -9.809 -8.561 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.714 -11.311 -8.391 1.00 0.00 C ATOM 1403 CD2 LEU A 89 77.529 -9.456 -10.050 1.00 0.00 C ATOM 0 H LEU A 89 74.978 -11.366 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 89 77.151 -9.525 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.345 -10.027 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 89 75.906 -8.382 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 89 78.277 -9.263 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.684 -11.585 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 89 77.687 -11.565 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 89 76.929 -11.856 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 89 78.499 -9.730 -10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 89 76.744 -10.002 -10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 89 77.371 -8.385 -10.174 1.00 0.00 H new ATOM 1415 N LEU A 90 73.942 -8.811 -5.800 1.00 0.00 N ATOM 1416 CA LEU A 90 73.007 -7.856 -5.210 1.00 0.00 C ATOM 1417 C LEU A 90 73.385 -7.541 -3.766 1.00 0.00 C ATOM 1418 O LEU A 90 73.287 -6.395 -3.327 1.00 0.00 O ATOM 1419 CB LEU A 90 71.589 -8.425 -5.239 1.00 0.00 C ATOM 1420 CG LEU A 90 70.582 -7.307 -4.974 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.056 -6.776 -6.307 1.00 0.00 C ATOM 1422 CD2 LEU A 90 69.417 -7.856 -4.147 1.00 0.00 C ATOM 0 H LEU A 90 73.507 -9.643 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 90 73.052 -6.938 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.391 -8.885 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.485 -9.207 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 90 71.067 -6.500 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 90 69.337 -5.978 -6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.886 -6.387 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.569 -7.584 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.698 -7.059 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 90 68.929 -8.662 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 90 69.793 -8.239 -3.198 1.00 0.00 H new ATOM 1434 N THR A 91 73.812 -8.563 -3.030 1.00 0.00 N ATOM 1435 CA THR A 91 74.193 -8.373 -1.634 1.00 0.00 C ATOM 1436 C THR A 91 75.455 -7.524 -1.529 1.00 0.00 C ATOM 1437 O THR A 91 75.620 -6.755 -0.582 1.00 0.00 O ATOM 1438 CB THR A 91 74.430 -9.729 -0.962 1.00 0.00 C ATOM 1439 OG1 THR A 91 75.531 -10.378 -1.582 1.00 0.00 O ATOM 1440 CG2 THR A 91 73.177 -10.598 -1.098 1.00 0.00 C ATOM 0 H THR A 91 73.902 -9.520 -3.371 1.00 0.00 H new ATOM 0 HA THR A 91 73.379 -7.855 -1.127 1.00 0.00 H new ATOM 0 HB THR A 91 74.647 -9.576 0.095 1.00 0.00 H new ATOM 0 HG1 THR A 91 75.220 -10.866 -2.373 1.00 0.00 H new ATOM 0 HG21 THR A 91 73.349 -11.562 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 91 72.335 -10.100 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 91 72.954 -10.752 -2.154 1.00 0.00 H new ATOM 1448 N GLN A 92 76.344 -7.664 -2.509 1.00 0.00 N ATOM 1449 CA GLN A 92 77.583 -6.897 -2.510 1.00 0.00 C ATOM 1450 C GLN A 92 77.283 -5.401 -2.524 1.00 0.00 C ATOM 1451 O GLN A 92 77.941 -4.620 -1.837 1.00 0.00 O ATOM 1452 CB GLN A 92 78.425 -7.262 -3.734 1.00 0.00 C ATOM 1453 CG GLN A 92 79.797 -6.596 -3.623 1.00 0.00 C ATOM 1454 CD GLN A 92 80.662 -6.981 -4.819 1.00 0.00 C ATOM 1455 OE1 GLN A 92 80.267 -7.821 -5.627 1.00 0.00 O ATOM 1456 NE2 GLN A 92 81.827 -6.414 -4.980 1.00 0.00 N ATOM 0 H GLN A 92 76.231 -8.294 -3.303 1.00 0.00 H new ATOM 0 HA GLN A 92 78.139 -7.138 -1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.538 -8.344 -3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 92 77.923 -6.936 -4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 92 79.682 -5.513 -3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.285 -6.902 -2.697 1.00 0.00 H new ATOM 0 HE21 GLN A 92 82.153 -5.718 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 92 82.412 -6.667 -5.777 1.00 0.00 H new ATOM 1465 N ILE A 93 76.278 -5.012 -3.303 1.00 0.00 N ATOM 1466 CA ILE A 93 75.891 -3.607 -3.390 1.00 0.00 C ATOM 1467 C ILE A 93 74.892 -3.255 -2.293 1.00 0.00 C ATOM 1468 O ILE A 93 74.892 -2.139 -1.774 1.00 0.00 O ATOM 1469 CB ILE A 93 75.282 -3.302 -4.762 1.00 0.00 C ATOM 1470 CG1 ILE A 93 76.375 -3.327 -5.838 1.00 0.00 C ATOM 1471 CG2 ILE A 93 74.633 -1.917 -4.730 1.00 0.00 C ATOM 1472 CD1 ILE A 93 75.727 -3.230 -7.220 1.00 0.00 C ATOM 0 H ILE A 93 75.721 -5.643 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 93 76.787 -3.001 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 93 74.532 -4.057 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 93 77.067 -2.498 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 93 76.957 -4.245 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 93 74.198 -1.696 -5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 93 73.850 -1.899 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 93 75.387 -1.167 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 93 76.501 -3.247 -7.987 1.00 0.00 H new ATOM 0 HD12 ILE A 93 75.053 -4.074 -7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 93 75.164 -2.299 -7.294 1.00 0.00 H new ATOM 1484 N GLY A 94 74.039 -4.214 -1.947 1.00 0.00 N ATOM 1485 CA GLY A 94 73.035 -3.994 -0.912 1.00 0.00 C ATOM 1486 C GLY A 94 71.781 -3.353 -1.498 1.00 0.00 C ATOM 1487 O GLY A 94 71.597 -3.328 -2.716 1.00 0.00 O ATOM 0 H GLY A 94 74.022 -5.144 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 94 72.777 -4.943 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 94 73.445 -3.353 -0.132 1.00 0.00 H new ATOM 1491 N ALA A 95 70.922 -2.838 -0.627 1.00 0.00 N ATOM 1492 CA ALA A 95 69.688 -2.201 -1.070 1.00 0.00 C ATOM 1493 C ALA A 95 69.981 -0.841 -1.696 1.00 0.00 C ATOM 1494 O ALA A 95 69.650 0.157 -1.077 1.00 0.00 O ATOM 1495 CB ALA A 95 68.736 -2.025 0.113 1.00 0.00 C ATOM 1496 OXT ALA A 95 70.531 -0.818 -2.784 1.00 0.00 O ATOM 0 H ALA A 95 71.056 -2.848 0.384 1.00 0.00 H new ATOM 0 HA ALA A 95 69.221 -2.840 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 95 67.817 -1.548 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 95 68.502 -3.000 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 95 69.209 -1.401 0.871 1.00 0.00 H new TER 1502 ALA A 95