USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 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 18 GLN : amide:sc= -1.6! K(o=-2.3!,f=-0.45) USER MOD Set 1.2: A 20 LYS NZ :NH3+ -160:sc= -0.729 (180deg=-0.726) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.078 (180deg=-0.576) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -148:sc= -0.308 (180deg=-1.75!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.0909 (180deg=-0.474) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.752 K(o=-0.75,f=-2.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.000439 K(o=-0.00044,f=-1.4!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.03) 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 USER MOD Single : A 83 ASN : amide:sc= -0.895 K(o=-0.89,f=-14!) USER MOD Single : A 88 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.2!) USER MOD Single : A 91 THR OG1 : rot 90:sc= 0.732 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 56.464 16.079 -20.893 1.00 0.00 N ATOM 2 CA PRO A 1 56.659 14.612 -20.782 1.00 0.00 C ATOM 3 C PRO A 1 56.144 14.131 -19.429 1.00 0.00 C ATOM 4 O PRO A 1 56.069 12.929 -19.174 1.00 0.00 O ATOM 5 CB PRO A 1 58.150 14.317 -20.920 1.00 0.00 C ATOM 6 CG PRO A 1 58.753 15.593 -21.415 1.00 0.00 C ATOM 7 CD PRO A 1 57.796 16.734 -21.029 1.00 0.00 C ATOM 0 H2 PRO A 1 55.979 16.434 -20.069 1.00 0.00 H new ATOM 0 H3 PRO A 1 55.880 16.297 -21.700 1.00 0.00 H new ATOM 0 HA PRO A 1 56.108 14.091 -21.565 1.00 0.00 H new ATOM 0 HB2 PRO A 1 58.584 14.020 -19.965 1.00 0.00 H new ATOM 0 HB3 PRO A 1 58.328 13.499 -21.619 1.00 0.00 H new ATOM 0 HG2 PRO A 1 59.736 15.750 -20.972 1.00 0.00 H new ATOM 0 HG3 PRO A 1 58.892 15.558 -22.495 1.00 0.00 H new ATOM 0 HD2 PRO A 1 58.101 17.209 -20.096 1.00 0.00 H new ATOM 0 HD3 PRO A 1 57.779 17.512 -21.792 1.00 0.00 H new ATOM 17 N GLN A 2 55.789 15.077 -18.566 1.00 0.00 N ATOM 18 CA GLN A 2 55.280 14.741 -17.241 1.00 0.00 C ATOM 19 C GLN A 2 56.114 13.631 -16.610 1.00 0.00 C ATOM 20 O GLN A 2 55.908 12.451 -16.892 1.00 0.00 O ATOM 21 CB GLN A 2 53.820 14.292 -17.341 1.00 0.00 C ATOM 22 CG GLN A 2 53.233 14.144 -15.935 1.00 0.00 C ATOM 23 CD GLN A 2 51.814 13.594 -16.021 1.00 0.00 C ATOM 24 OE1 GLN A 2 51.618 12.428 -16.363 1.00 0.00 O ATOM 25 NE2 GLN A 2 50.805 14.370 -15.730 1.00 0.00 N ATOM 0 H GLN A 2 55.844 16.077 -18.758 1.00 0.00 H new ATOM 0 HA GLN A 2 55.345 15.629 -16.612 1.00 0.00 H new ATOM 0 HB2 GLN A 2 53.243 15.019 -17.913 1.00 0.00 H new ATOM 0 HB3 GLN A 2 53.756 13.344 -17.875 1.00 0.00 H new ATOM 0 HG2 GLN A 2 53.856 13.476 -15.340 1.00 0.00 H new ATOM 0 HG3 GLN A 2 53.228 15.110 -15.430 1.00 0.00 H new ATOM 0 HE21 GLN A 2 50.970 15.336 -15.447 1.00 0.00 H new ATOM 0 HE22 GLN A 2 49.852 14.010 -15.786 1.00 0.00 H new ATOM 34 N ILE A 3 57.057 14.018 -15.758 1.00 0.00 N ATOM 35 CA ILE A 3 57.919 13.047 -15.094 1.00 0.00 C ATOM 36 C ILE A 3 57.651 13.046 -13.589 1.00 0.00 C ATOM 37 O ILE A 3 57.646 14.099 -12.952 1.00 0.00 O ATOM 38 CB ILE A 3 59.385 13.393 -15.363 1.00 0.00 C ATOM 39 CG1 ILE A 3 59.615 13.472 -16.876 1.00 0.00 C ATOM 40 CG2 ILE A 3 60.287 12.309 -14.771 1.00 0.00 C ATOM 41 CD1 ILE A 3 61.027 13.991 -17.159 1.00 0.00 C ATOM 0 H ILE A 3 57.243 14.990 -15.512 1.00 0.00 H new ATOM 0 HA ILE A 3 57.705 12.053 -15.488 1.00 0.00 H new ATOM 0 HB ILE A 3 59.622 14.352 -14.902 1.00 0.00 H new ATOM 0 HG12 ILE A 3 59.483 12.488 -17.325 1.00 0.00 H new ATOM 0 HG13 ILE A 3 58.877 14.132 -17.331 1.00 0.00 H new ATOM 0 HG21 ILE A 3 61.330 12.558 -14.964 1.00 0.00 H new ATOM 0 HG22 ILE A 3 60.122 12.246 -13.695 1.00 0.00 H new ATOM 0 HG23 ILE A 3 60.052 11.349 -15.231 1.00 0.00 H new ATOM 0 HD11 ILE A 3 61.186 14.045 -18.236 1.00 0.00 H new ATOM 0 HD12 ILE A 3 61.144 14.984 -16.724 1.00 0.00 H new ATOM 0 HD13 ILE A 3 61.759 13.314 -16.718 1.00 0.00 H new ATOM 53 N THR A 4 57.420 11.860 -13.028 1.00 0.00 N ATOM 54 CA THR A 4 57.141 11.750 -11.598 1.00 0.00 C ATOM 55 C THR A 4 58.230 10.958 -10.872 1.00 0.00 C ATOM 56 O THR A 4 58.198 10.835 -9.649 1.00 0.00 O ATOM 57 CB THR A 4 55.790 11.065 -11.385 1.00 0.00 C ATOM 58 OG1 THR A 4 55.876 9.713 -11.813 1.00 0.00 O ATOM 59 CG2 THR A 4 54.713 11.791 -12.195 1.00 0.00 C ATOM 0 H THR A 4 57.420 10.974 -13.533 1.00 0.00 H new ATOM 0 HA THR A 4 57.119 12.758 -11.185 1.00 0.00 H new ATOM 0 HB THR A 4 55.528 11.097 -10.327 1.00 0.00 H new ATOM 0 HG1 THR A 4 55.012 9.271 -11.676 1.00 0.00 H new ATOM 0 HG21 THR A 4 53.751 11.302 -12.042 1.00 0.00 H new ATOM 0 HG22 THR A 4 54.649 12.828 -11.867 1.00 0.00 H new ATOM 0 HG23 THR A 4 54.971 11.761 -13.253 1.00 0.00 H new ATOM 67 N LEU A 5 59.190 10.424 -11.621 1.00 0.00 N ATOM 68 CA LEU A 5 60.268 9.654 -11.007 1.00 0.00 C ATOM 69 C LEU A 5 61.623 10.087 -11.558 1.00 0.00 C ATOM 70 O LEU A 5 61.954 9.813 -12.711 1.00 0.00 O ATOM 71 CB LEU A 5 60.073 8.148 -11.243 1.00 0.00 C ATOM 72 CG LEU A 5 59.152 7.903 -12.443 1.00 0.00 C ATOM 73 CD1 LEU A 5 59.847 8.362 -13.726 1.00 0.00 C ATOM 74 CD2 LEU A 5 58.847 6.407 -12.546 1.00 0.00 C ATOM 0 H LEU A 5 59.245 10.507 -12.636 1.00 0.00 H new ATOM 0 HA LEU A 5 60.242 9.848 -9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 5 61.039 7.674 -11.417 1.00 0.00 H new ATOM 0 HB3 LEU A 5 59.648 7.687 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 5 58.226 8.463 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 5 59.190 8.187 -14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 5 60.075 9.426 -13.656 1.00 0.00 H new ATOM 0 HD13 LEU A 5 60.772 7.801 -13.859 1.00 0.00 H new ATOM 0 HD21 LEU A 5 58.192 6.227 -13.398 1.00 0.00 H new ATOM 0 HD22 LEU A 5 59.777 5.854 -12.680 1.00 0.00 H new ATOM 0 HD23 LEU A 5 58.355 6.072 -11.633 1.00 0.00 H new ATOM 86 N TRP A 6 62.402 10.768 -10.721 1.00 0.00 N ATOM 87 CA TRP A 6 63.721 11.240 -11.126 1.00 0.00 C ATOM 88 C TRP A 6 64.652 10.067 -11.421 1.00 0.00 C ATOM 89 O TRP A 6 65.431 10.105 -12.373 1.00 0.00 O ATOM 90 CB TRP A 6 64.326 12.100 -10.015 1.00 0.00 C ATOM 91 CG TRP A 6 63.439 13.275 -9.756 1.00 0.00 C ATOM 92 CD1 TRP A 6 63.309 14.347 -10.571 1.00 0.00 C ATOM 93 CD2 TRP A 6 62.559 13.517 -8.620 1.00 0.00 C ATOM 94 NE1 TRP A 6 62.405 15.230 -10.009 1.00 0.00 N ATOM 95 CE2 TRP A 6 61.916 14.762 -8.805 1.00 0.00 C ATOM 96 CE3 TRP A 6 62.260 12.782 -7.457 1.00 0.00 C ATOM 97 CZ2 TRP A 6 61.006 15.262 -7.871 1.00 0.00 C ATOM 98 CZ3 TRP A 6 61.347 13.283 -6.515 1.00 0.00 C ATOM 99 CH2 TRP A 6 60.722 14.520 -6.723 1.00 0.00 C ATOM 0 H TRP A 6 62.143 11.004 -9.763 1.00 0.00 H new ATOM 0 HA TRP A 6 63.608 11.833 -12.033 1.00 0.00 H new ATOM 0 HB2 TRP A 6 64.441 11.510 -9.106 1.00 0.00 H new ATOM 0 HB3 TRP A 6 65.321 12.439 -10.303 1.00 0.00 H new ATOM 0 HD1 TRP A 6 63.827 14.490 -11.508 1.00 0.00 H new ATOM 0 HE1 TRP A 6 62.133 16.118 -10.432 1.00 0.00 H new ATOM 0 HE3 TRP A 6 62.736 11.827 -7.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 60.526 16.215 -8.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 61.125 12.712 -5.625 1.00 0.00 H new ATOM 0 HH2 TRP A 6 60.020 14.899 -5.995 1.00 0.00 H new ATOM 110 N LYS A 7 64.570 9.029 -10.593 1.00 0.00 N ATOM 111 CA LYS A 7 65.418 7.854 -10.769 1.00 0.00 C ATOM 112 C LYS A 7 64.655 6.733 -11.471 1.00 0.00 C ATOM 113 O LYS A 7 63.471 6.518 -11.211 1.00 0.00 O ATOM 114 CB LYS A 7 65.914 7.363 -9.407 1.00 0.00 C ATOM 115 CG LYS A 7 67.039 6.346 -9.607 1.00 0.00 C ATOM 116 CD LYS A 7 67.507 5.826 -8.246 1.00 0.00 C ATOM 117 CE LYS A 7 68.765 4.974 -8.429 1.00 0.00 C ATOM 118 NZ LYS A 7 68.705 3.796 -7.519 1.00 0.00 N ATOM 0 H LYS A 7 63.931 8.977 -9.800 1.00 0.00 H new ATOM 0 HA LYS A 7 66.269 8.135 -11.389 1.00 0.00 H new ATOM 0 HB2 LYS A 7 66.272 8.205 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 7 65.093 6.908 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 7 66.689 5.518 -10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 7 67.872 6.809 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 7 67.715 6.662 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 7 66.719 5.234 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 7 68.845 4.643 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 7 69.653 5.568 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 69.560 3.217 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 68.648 4.122 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 67.865 3.226 -7.744 1.00 0.00 H new ATOM 132 N ARG A 8 65.343 6.023 -12.361 1.00 0.00 N ATOM 133 CA ARG A 8 64.723 4.925 -13.095 1.00 0.00 C ATOM 134 C ARG A 8 64.884 3.604 -12.330 1.00 0.00 C ATOM 135 O ARG A 8 66.000 3.102 -12.197 1.00 0.00 O ATOM 136 CB ARG A 8 65.383 4.790 -14.470 1.00 0.00 C ATOM 137 CG ARG A 8 64.312 4.504 -15.525 1.00 0.00 C ATOM 138 CD ARG A 8 64.982 4.007 -16.810 1.00 0.00 C ATOM 139 NE ARG A 8 64.460 4.717 -17.980 1.00 0.00 N ATOM 140 CZ ARG A 8 63.160 4.951 -18.143 1.00 0.00 C ATOM 141 NH1 ARG A 8 62.294 4.484 -17.286 1.00 0.00 N ATOM 142 NH2 ARG A 8 62.746 5.631 -19.178 1.00 0.00 N ATOM 0 H ARG A 8 66.323 6.187 -12.590 1.00 0.00 H new ATOM 0 HA ARG A 8 63.661 5.142 -13.209 1.00 0.00 H new ATOM 0 HB2 ARG A 8 65.919 5.706 -14.719 1.00 0.00 H new ATOM 0 HB3 ARG A 8 66.118 3.985 -14.455 1.00 0.00 H new ATOM 0 HG2 ARG A 8 63.612 3.756 -15.154 1.00 0.00 H new ATOM 0 HG3 ARG A 8 63.736 5.407 -15.728 1.00 0.00 H new ATOM 0 HD2 ARG A 8 66.060 4.153 -16.742 1.00 0.00 H new ATOM 0 HD3 ARG A 8 64.811 2.936 -16.923 1.00 0.00 H new ATOM 0 HE ARG A 8 65.113 5.042 -18.692 1.00 0.00 H new ATOM 0 HH11 ARG A 8 62.612 3.937 -16.486 1.00 0.00 H new ATOM 0 HH12 ARG A 8 61.299 4.666 -17.416 1.00 0.00 H new ATOM 0 HH21 ARG A 8 63.419 5.982 -19.860 1.00 0.00 H new ATOM 0 HH22 ARG A 8 61.750 5.811 -19.305 1.00 0.00 H new ATOM 156 N PRO A 9 63.812 3.022 -11.834 1.00 0.00 N ATOM 157 CA PRO A 9 63.884 1.731 -11.086 1.00 0.00 C ATOM 158 C PRO A 9 64.682 0.673 -11.842 1.00 0.00 C ATOM 159 O PRO A 9 65.043 -0.363 -11.284 1.00 0.00 O ATOM 160 CB PRO A 9 62.424 1.300 -10.941 1.00 0.00 C ATOM 161 CG PRO A 9 61.616 2.548 -11.065 1.00 0.00 C ATOM 162 CD PRO A 9 62.427 3.522 -11.919 1.00 0.00 C ATOM 0 HA PRO A 9 64.393 1.849 -10.129 1.00 0.00 H new ATOM 0 HB2 PRO A 9 62.151 0.579 -11.712 1.00 0.00 H new ATOM 0 HB3 PRO A 9 62.253 0.818 -9.979 1.00 0.00 H new ATOM 0 HG2 PRO A 9 60.652 2.339 -11.529 1.00 0.00 H new ATOM 0 HG3 PRO A 9 61.411 2.974 -10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 9 62.073 3.536 -12.950 1.00 0.00 H new ATOM 0 HD3 PRO A 9 62.349 4.541 -11.541 1.00 0.00 H new ATOM 170 N LEU A 10 64.953 0.940 -13.115 1.00 0.00 N ATOM 171 CA LEU A 10 65.706 0.001 -13.939 1.00 0.00 C ATOM 172 C LEU A 10 67.205 0.246 -13.791 1.00 0.00 C ATOM 173 O LEU A 10 67.663 1.388 -13.810 1.00 0.00 O ATOM 174 CB LEU A 10 65.302 0.153 -15.407 1.00 0.00 C ATOM 175 CG LEU A 10 65.979 -0.937 -16.244 1.00 0.00 C ATOM 176 CD1 LEU A 10 65.362 -2.302 -15.920 1.00 0.00 C ATOM 177 CD2 LEU A 10 65.781 -0.630 -17.730 1.00 0.00 C ATOM 0 H LEU A 10 64.665 1.792 -13.596 1.00 0.00 H new ATOM 0 HA LEU A 10 65.480 -1.012 -13.606 1.00 0.00 H new ATOM 0 HB2 LEU A 10 64.219 0.081 -15.506 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.590 1.138 -15.773 1.00 0.00 H new ATOM 0 HG LEU A 10 67.044 -0.960 -16.011 1.00 0.00 H new ATOM 0 HD11 LEU A 10 65.848 -3.072 -16.519 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.502 -2.523 -14.862 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.296 -2.283 -16.149 1.00 0.00 H new ATOM 0 HD21 LEU A 10 66.262 -1.404 -18.329 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.715 -0.605 -17.957 1.00 0.00 H new ATOM 0 HD23 LEU A 10 66.225 0.338 -17.964 1.00 0.00 H new ATOM 189 N VAL A 11 67.961 -0.836 -13.639 1.00 0.00 N ATOM 190 CA VAL A 11 69.408 -0.731 -13.482 1.00 0.00 C ATOM 191 C VAL A 11 70.127 -1.235 -14.729 1.00 0.00 C ATOM 192 O VAL A 11 69.732 -2.237 -15.324 1.00 0.00 O ATOM 193 CB VAL A 11 69.864 -1.541 -12.267 1.00 0.00 C ATOM 194 CG1 VAL A 11 71.368 -1.350 -12.062 1.00 0.00 C ATOM 195 CG2 VAL A 11 69.115 -1.059 -11.023 1.00 0.00 C ATOM 0 H VAL A 11 67.600 -1.790 -13.621 1.00 0.00 H new ATOM 0 HA VAL A 11 69.658 0.320 -13.334 1.00 0.00 H new ATOM 0 HB VAL A 11 69.651 -2.597 -12.434 1.00 0.00 H new ATOM 0 HG11 VAL A 11 71.693 -1.927 -11.196 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.902 -1.693 -12.948 1.00 0.00 H new ATOM 0 HG13 VAL A 11 71.581 -0.294 -11.895 1.00 0.00 H new ATOM 0 HG21 VAL A 11 69.439 -1.636 -10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 11 69.328 -0.003 -10.856 1.00 0.00 H new ATOM 0 HG23 VAL A 11 68.043 -1.194 -11.168 1.00 0.00 H new ATOM 205 N THR A 12 71.190 -0.535 -15.112 1.00 0.00 N ATOM 206 CA THR A 12 71.967 -0.922 -16.285 1.00 0.00 C ATOM 207 C THR A 12 73.422 -1.169 -15.898 1.00 0.00 C ATOM 208 O THR A 12 73.901 -0.653 -14.889 1.00 0.00 O ATOM 209 CB THR A 12 71.899 0.178 -17.345 1.00 0.00 C ATOM 210 OG1 THR A 12 72.705 1.274 -16.937 1.00 0.00 O ATOM 211 CG2 THR A 12 70.451 0.641 -17.514 1.00 0.00 C ATOM 0 H THR A 12 71.532 0.297 -14.631 1.00 0.00 H new ATOM 0 HA THR A 12 71.546 -1.841 -16.692 1.00 0.00 H new ATOM 0 HB THR A 12 72.265 -0.210 -18.296 1.00 0.00 H new ATOM 0 HG1 THR A 12 72.665 1.980 -17.615 1.00 0.00 H new ATOM 0 HG21 THR A 12 70.406 1.425 -18.270 1.00 0.00 H new ATOM 0 HG22 THR A 12 69.834 -0.201 -17.827 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.080 1.030 -16.566 1.00 0.00 H new ATOM 219 N ILE A 13 74.118 -1.970 -16.700 1.00 0.00 N ATOM 220 CA ILE A 13 75.515 -2.282 -16.420 1.00 0.00 C ATOM 221 C ILE A 13 76.404 -1.979 -17.623 1.00 0.00 C ATOM 222 O ILE A 13 75.924 -1.842 -18.748 1.00 0.00 O ATOM 223 CB ILE A 13 75.650 -3.758 -16.031 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.293 -4.648 -17.228 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.703 -4.070 -14.872 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.486 -6.116 -16.846 1.00 0.00 C ATOM 0 H ILE A 13 73.742 -2.410 -17.540 1.00 0.00 H new ATOM 0 HA ILE A 13 75.843 -1.654 -15.592 1.00 0.00 H new ATOM 0 HB ILE A 13 76.679 -3.954 -15.729 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.261 -4.472 -17.530 1.00 0.00 H new ATOM 0 HG13 ILE A 13 75.922 -4.397 -18.082 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.800 -5.120 -14.596 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.957 -3.445 -14.016 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.676 -3.868 -15.177 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.233 -6.750 -17.696 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.525 -6.285 -16.565 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.838 -6.361 -16.005 1.00 0.00 H new ATOM 238 N LYS A 14 77.706 -1.887 -17.369 1.00 0.00 N ATOM 239 CA LYS A 14 78.675 -1.613 -18.425 1.00 0.00 C ATOM 240 C LYS A 14 79.812 -2.627 -18.361 1.00 0.00 C ATOM 241 O LYS A 14 80.484 -2.753 -17.335 1.00 0.00 O ATOM 242 CB LYS A 14 79.233 -0.198 -18.261 1.00 0.00 C ATOM 243 CG LYS A 14 80.222 0.104 -19.391 1.00 0.00 C ATOM 244 CD LYS A 14 80.793 1.511 -19.202 1.00 0.00 C ATOM 245 CE LYS A 14 81.649 1.882 -20.415 1.00 0.00 C ATOM 246 NZ LYS A 14 80.780 1.992 -21.621 1.00 0.00 N ATOM 0 H LYS A 14 78.114 -1.998 -16.441 1.00 0.00 H new ATOM 0 HA LYS A 14 78.180 -1.693 -19.393 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.419 0.527 -18.274 1.00 0.00 H new ATOM 0 HB3 LYS A 14 79.730 -0.103 -17.295 1.00 0.00 H new ATOM 0 HG2 LYS A 14 81.027 -0.631 -19.391 1.00 0.00 H new ATOM 0 HG3 LYS A 14 79.722 0.029 -20.357 1.00 0.00 H new ATOM 0 HD2 LYS A 14 79.983 2.230 -19.081 1.00 0.00 H new ATOM 0 HD3 LYS A 14 81.394 1.552 -18.293 1.00 0.00 H new ATOM 0 HE2 LYS A 14 82.162 2.827 -20.236 1.00 0.00 H new ATOM 0 HE3 LYS A 14 82.418 1.127 -20.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 81.243 2.598 -22.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.624 1.046 -22.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.866 2.409 -21.353 1.00 0.00 H new ATOM 260 N ILE A 15 80.023 -3.353 -19.454 1.00 0.00 N ATOM 261 CA ILE A 15 81.085 -4.353 -19.493 1.00 0.00 C ATOM 262 C ILE A 15 81.888 -4.257 -20.788 1.00 0.00 C ATOM 263 O ILE A 15 81.345 -4.414 -21.882 1.00 0.00 O ATOM 264 CB ILE A 15 80.478 -5.752 -19.368 1.00 0.00 C ATOM 265 CG1 ILE A 15 79.652 -5.833 -18.080 1.00 0.00 C ATOM 266 CG2 ILE A 15 81.596 -6.794 -19.318 1.00 0.00 C ATOM 267 CD1 ILE A 15 78.905 -7.167 -18.035 1.00 0.00 C ATOM 0 H ILE A 15 79.481 -3.270 -20.314 1.00 0.00 H new ATOM 0 HA ILE A 15 81.760 -4.166 -18.658 1.00 0.00 H new ATOM 0 HB ILE A 15 79.838 -5.948 -20.228 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.304 -5.740 -17.211 1.00 0.00 H new ATOM 0 HG13 ILE A 15 78.943 -5.006 -18.037 1.00 0.00 H new ATOM 0 HG21 ILE A 15 81.162 -7.790 -19.229 1.00 0.00 H new ATOM 0 HG22 ILE A 15 82.188 -6.737 -20.231 1.00 0.00 H new ATOM 0 HG23 ILE A 15 82.237 -6.599 -18.458 1.00 0.00 H new ATOM 0 HD11 ILE A 15 78.318 -7.224 -17.119 1.00 0.00 H new ATOM 0 HD12 ILE A 15 78.242 -7.242 -18.897 1.00 0.00 H new ATOM 0 HD13 ILE A 15 79.623 -7.987 -18.058 1.00 0.00 H new ATOM 279 N GLY A 16 83.189 -4.021 -20.654 1.00 0.00 N ATOM 280 CA GLY A 16 84.069 -3.931 -21.815 1.00 0.00 C ATOM 281 C GLY A 16 83.585 -2.893 -22.824 1.00 0.00 C ATOM 282 O GLY A 16 83.630 -3.128 -24.030 1.00 0.00 O ATOM 0 H GLY A 16 83.656 -3.889 -19.757 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.076 -3.674 -21.487 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.130 -4.906 -22.299 1.00 0.00 H new ATOM 286 N GLY A 17 83.140 -1.740 -22.334 1.00 0.00 N ATOM 287 CA GLY A 17 82.676 -0.679 -23.222 1.00 0.00 C ATOM 288 C GLY A 17 81.290 -0.979 -23.785 1.00 0.00 C ATOM 289 O GLY A 17 80.760 -0.209 -24.587 1.00 0.00 O ATOM 0 H GLY A 17 83.091 -1.518 -21.340 1.00 0.00 H new ATOM 0 HA2 GLY A 17 82.651 0.265 -22.678 1.00 0.00 H new ATOM 0 HA3 GLY A 17 83.383 -0.556 -24.042 1.00 0.00 H new ATOM 293 N GLN A 18 80.706 -2.097 -23.371 1.00 0.00 N ATOM 294 CA GLN A 18 79.383 -2.472 -23.859 1.00 0.00 C ATOM 295 C GLN A 18 78.340 -2.349 -22.752 1.00 0.00 C ATOM 296 O GLN A 18 78.618 -2.634 -21.586 1.00 0.00 O ATOM 297 CB GLN A 18 79.406 -3.910 -24.385 1.00 0.00 C ATOM 298 CG GLN A 18 80.371 -4.009 -25.569 1.00 0.00 C ATOM 299 CD GLN A 18 80.304 -5.405 -26.184 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.975 -5.678 -27.179 1.00 0.00 O ATOM 301 NE2 GLN A 18 79.530 -6.309 -25.647 1.00 0.00 N ATOM 0 H GLN A 18 81.120 -2.752 -22.708 1.00 0.00 H new ATOM 0 HA GLN A 18 79.114 -1.793 -24.668 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.715 -4.593 -23.593 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.405 -4.211 -24.693 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.117 -3.260 -26.319 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.388 -3.797 -25.238 1.00 0.00 H new ATOM 0 HE21 GLN A 18 78.975 -6.080 -24.822 1.00 0.00 H new ATOM 0 HE22 GLN A 18 79.481 -7.244 -26.052 1.00 0.00 H new ATOM 310 N LEU A 19 77.136 -1.928 -23.128 1.00 0.00 N ATOM 311 CA LEU A 19 76.049 -1.775 -22.166 1.00 0.00 C ATOM 312 C LEU A 19 75.078 -2.945 -22.275 1.00 0.00 C ATOM 313 O LEU A 19 74.678 -3.330 -23.374 1.00 0.00 O ATOM 314 CB LEU A 19 75.302 -0.466 -22.428 1.00 0.00 C ATOM 315 CG LEU A 19 76.276 0.712 -22.336 1.00 0.00 C ATOM 316 CD1 LEU A 19 75.594 1.983 -22.844 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.698 0.919 -20.877 1.00 0.00 C ATOM 0 H LEU A 19 76.889 -1.688 -24.088 1.00 0.00 H new ATOM 0 HA LEU A 19 76.473 -1.756 -21.162 1.00 0.00 H new ATOM 0 HB2 LEU A 19 74.839 -0.491 -23.415 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.498 -0.343 -21.702 1.00 0.00 H new ATOM 0 HG LEU A 19 77.154 0.498 -22.945 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.289 2.820 -22.778 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.292 1.844 -23.882 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.715 2.192 -22.235 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.391 1.758 -20.814 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.818 1.130 -20.270 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.186 0.017 -20.508 1.00 0.00 H new ATOM 329 N LYS A 20 74.703 -3.508 -21.133 1.00 0.00 N ATOM 330 CA LYS A 20 73.780 -4.636 -21.115 1.00 0.00 C ATOM 331 C LYS A 20 72.682 -4.415 -20.080 1.00 0.00 C ATOM 332 O LYS A 20 72.861 -3.660 -19.125 1.00 0.00 O ATOM 333 CB LYS A 20 74.538 -5.924 -20.789 1.00 0.00 C ATOM 334 CG LYS A 20 75.601 -6.175 -21.859 1.00 0.00 C ATOM 335 CD LYS A 20 76.271 -7.526 -21.604 1.00 0.00 C ATOM 336 CE LYS A 20 77.430 -7.716 -22.584 1.00 0.00 C ATOM 337 NZ LYS A 20 77.074 -7.109 -23.898 1.00 0.00 N ATOM 0 H LYS A 20 75.021 -3.204 -20.213 1.00 0.00 H new ATOM 0 HA LYS A 20 73.322 -4.722 -22.100 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.006 -5.845 -19.808 1.00 0.00 H new ATOM 0 HB3 LYS A 20 73.846 -6.765 -20.745 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.145 -6.164 -22.849 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.345 -5.379 -21.842 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.637 -7.574 -20.578 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.546 -8.331 -21.722 1.00 0.00 H new ATOM 0 HE2 LYS A 20 78.334 -7.251 -22.190 1.00 0.00 H new ATOM 0 HE3 LYS A 20 77.645 -8.777 -22.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 77.677 -7.514 -24.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 76.077 -7.309 -24.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 77.219 -6.080 -23.856 1.00 0.00 H new ATOM 351 N GLU A 21 71.550 -5.085 -20.267 1.00 0.00 N ATOM 352 CA GLU A 21 70.439 -4.961 -19.332 1.00 0.00 C ATOM 353 C GLU A 21 70.263 -6.268 -18.568 1.00 0.00 C ATOM 354 O GLU A 21 70.394 -7.348 -19.142 1.00 0.00 O ATOM 355 CB GLU A 21 69.150 -4.629 -20.087 1.00 0.00 C ATOM 356 CG GLU A 21 69.335 -3.326 -20.869 1.00 0.00 C ATOM 357 CD GLU A 21 69.599 -2.172 -19.909 1.00 0.00 C ATOM 358 OE1 GLU A 21 69.292 -2.319 -18.736 1.00 0.00 O ATOM 359 OE2 GLU A 21 70.101 -1.155 -20.359 1.00 0.00 O ATOM 0 H GLU A 21 71.379 -5.715 -21.051 1.00 0.00 H new ATOM 0 HA GLU A 21 70.656 -4.156 -18.629 1.00 0.00 H new ATOM 0 HB2 GLU A 21 68.896 -5.441 -20.768 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.321 -4.530 -19.386 1.00 0.00 H new ATOM 0 HG2 GLU A 21 70.166 -3.426 -21.567 1.00 0.00 H new ATOM 0 HG3 GLU A 21 68.444 -3.119 -21.462 1.00 0.00 H new ATOM 366 N ALA A 22 69.975 -6.174 -17.274 1.00 0.00 N ATOM 367 CA ALA A 22 69.798 -7.375 -16.463 1.00 0.00 C ATOM 368 C ALA A 22 68.819 -7.130 -15.320 1.00 0.00 C ATOM 369 O ALA A 22 68.663 -6.003 -14.849 1.00 0.00 O ATOM 370 CB ALA A 22 71.146 -7.820 -15.894 1.00 0.00 C ATOM 0 H ALA A 22 69.861 -5.295 -16.770 1.00 0.00 H new ATOM 0 HA ALA A 22 69.390 -8.158 -17.103 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.008 -8.717 -15.290 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.833 -8.036 -16.712 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.560 -7.025 -15.274 1.00 0.00 H new ATOM 376 N LEU A 23 68.168 -8.200 -14.874 1.00 0.00 N ATOM 377 CA LEU A 23 67.209 -8.108 -13.781 1.00 0.00 C ATOM 378 C LEU A 23 67.819 -8.648 -12.489 1.00 0.00 C ATOM 379 O LEU A 23 68.615 -9.587 -12.514 1.00 0.00 O ATOM 380 CB LEU A 23 65.944 -8.901 -14.120 1.00 0.00 C ATOM 381 CG LEU A 23 65.251 -8.279 -15.338 1.00 0.00 C ATOM 382 CD1 LEU A 23 65.826 -8.867 -16.630 1.00 0.00 C ATOM 383 CD2 LEU A 23 63.752 -8.575 -15.272 1.00 0.00 C ATOM 0 H LEU A 23 68.288 -9.139 -15.253 1.00 0.00 H new ATOM 0 HA LEU A 23 66.949 -7.059 -13.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.200 -9.940 -14.327 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.266 -8.904 -13.267 1.00 0.00 H new ATOM 0 HG LEU A 23 65.418 -7.202 -15.331 1.00 0.00 H new ATOM 0 HD11 LEU A 23 65.326 -8.418 -17.488 1.00 0.00 H new ATOM 0 HD12 LEU A 23 66.894 -8.657 -16.681 1.00 0.00 H new ATOM 0 HD13 LEU A 23 65.667 -9.945 -16.641 1.00 0.00 H new ATOM 0 HD21 LEU A 23 63.256 -8.134 -16.137 1.00 0.00 H new ATOM 0 HD22 LEU A 23 63.594 -9.653 -15.273 1.00 0.00 H new ATOM 0 HD23 LEU A 23 63.337 -8.149 -14.359 1.00 0.00 H new ATOM 395 N LEU A 24 67.437 -8.053 -11.363 1.00 0.00 N ATOM 396 CA LEU A 24 67.954 -8.491 -10.071 1.00 0.00 C ATOM 397 C LEU A 24 67.027 -9.538 -9.458 1.00 0.00 C ATOM 398 O LEU A 24 65.807 -9.374 -9.457 1.00 0.00 O ATOM 399 CB LEU A 24 68.077 -7.298 -9.113 1.00 0.00 C ATOM 400 CG LEU A 24 68.914 -6.185 -9.756 1.00 0.00 C ATOM 401 CD1 LEU A 24 70.232 -6.766 -10.273 1.00 0.00 C ATOM 402 CD2 LEU A 24 68.146 -5.553 -10.923 1.00 0.00 C ATOM 0 H LEU A 24 66.779 -7.275 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 24 68.940 -8.929 -10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 24 67.086 -6.919 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.540 -7.618 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 24 69.118 -5.421 -9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 24 70.825 -5.973 -10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 24 70.788 -7.203 -9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 24 70.024 -7.536 -11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 68.750 -4.764 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.930 -6.315 -11.672 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.211 -5.130 -10.556 1.00 0.00 H new ATOM 414 N ASP A 25 67.611 -10.614 -8.940 1.00 0.00 N ATOM 415 CA ASP A 25 66.820 -11.679 -8.330 1.00 0.00 C ATOM 416 C ASP A 25 66.862 -11.575 -6.808 1.00 0.00 C ATOM 417 O ASP A 25 67.876 -11.182 -6.230 1.00 0.00 O ATOM 418 CB ASP A 25 67.349 -13.045 -8.765 1.00 0.00 C ATOM 419 CG ASP A 25 66.344 -14.130 -8.393 1.00 0.00 C ATOM 420 OD1 ASP A 25 66.434 -14.642 -7.290 1.00 0.00 O ATOM 421 OD2 ASP A 25 65.494 -14.429 -9.216 1.00 0.00 O ATOM 0 H ASP A 25 68.619 -10.772 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 25 65.788 -11.570 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 25 67.524 -13.052 -9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 25 68.307 -13.244 -8.285 1.00 0.00 H new ATOM 426 N THR A 26 65.756 -11.934 -6.163 1.00 0.00 N ATOM 427 CA THR A 26 65.673 -11.885 -4.706 1.00 0.00 C ATOM 428 C THR A 26 66.620 -12.901 -4.069 1.00 0.00 C ATOM 429 O THR A 26 67.084 -12.711 -2.946 1.00 0.00 O ATOM 430 CB THR A 26 64.240 -12.174 -4.256 1.00 0.00 C ATOM 431 OG1 THR A 26 63.353 -11.268 -4.897 1.00 0.00 O ATOM 432 CG2 THR A 26 64.135 -12.007 -2.739 1.00 0.00 C ATOM 0 H THR A 26 64.907 -12.261 -6.624 1.00 0.00 H new ATOM 0 HA THR A 26 65.966 -10.886 -4.383 1.00 0.00 H new ATOM 0 HB THR A 26 63.974 -13.196 -4.525 1.00 0.00 H new ATOM 0 HG1 THR A 26 62.434 -11.453 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 26 63.113 -12.213 -2.420 1.00 0.00 H new ATOM 0 HG22 THR A 26 64.816 -12.703 -2.248 1.00 0.00 H new ATOM 0 HG23 THR A 26 64.401 -10.986 -2.466 1.00 0.00 H new ATOM 440 N GLY A 27 66.898 -13.980 -4.795 1.00 0.00 N ATOM 441 CA GLY A 27 67.787 -15.021 -4.288 1.00 0.00 C ATOM 442 C GLY A 27 67.910 -16.169 -5.284 1.00 0.00 C ATOM 443 O GLY A 27 67.654 -17.326 -4.949 1.00 0.00 O ATOM 0 H GLY A 27 66.525 -14.156 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 27 68.772 -14.598 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 27 67.407 -15.398 -3.339 1.00 0.00 H new ATOM 447 N ALA A 28 68.301 -15.841 -6.510 1.00 0.00 N ATOM 448 CA ALA A 28 68.454 -16.851 -7.550 1.00 0.00 C ATOM 449 C ALA A 28 69.587 -17.813 -7.210 1.00 0.00 C ATOM 450 O ALA A 28 69.587 -18.964 -7.644 1.00 0.00 O ATOM 451 CB ALA A 28 68.740 -16.177 -8.892 1.00 0.00 C ATOM 0 H ALA A 28 68.517 -14.889 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 28 67.525 -17.417 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.853 -16.938 -9.664 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.912 -15.517 -9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 28 69.659 -15.595 -8.818 1.00 0.00 H new ATOM 457 N ASP A 29 70.560 -17.330 -6.443 1.00 0.00 N ATOM 458 CA ASP A 29 71.701 -18.157 -6.068 1.00 0.00 C ATOM 459 C ASP A 29 72.435 -18.623 -7.319 1.00 0.00 C ATOM 460 O ASP A 29 73.191 -19.592 -7.287 1.00 0.00 O ATOM 461 CB ASP A 29 71.227 -19.373 -5.267 1.00 0.00 C ATOM 462 CG ASP A 29 72.426 -20.129 -4.706 1.00 0.00 C ATOM 463 OD1 ASP A 29 73.537 -19.658 -4.886 1.00 0.00 O ATOM 464 OD2 ASP A 29 72.216 -21.169 -4.105 1.00 0.00 O ATOM 0 H ASP A 29 70.582 -16.380 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 29 72.378 -17.566 -5.452 1.00 0.00 H new ATOM 0 HB2 ASP A 29 70.577 -19.052 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 29 70.638 -20.032 -5.905 1.00 0.00 H new ATOM 469 N ASP A 30 72.205 -17.907 -8.415 1.00 0.00 N ATOM 470 CA ASP A 30 72.845 -18.223 -9.687 1.00 0.00 C ATOM 471 C ASP A 30 72.784 -17.023 -10.625 1.00 0.00 C ATOM 472 O ASP A 30 71.786 -16.302 -10.658 1.00 0.00 O ATOM 473 CB ASP A 30 72.148 -19.417 -10.345 1.00 0.00 C ATOM 474 CG ASP A 30 72.500 -20.705 -9.610 1.00 0.00 C ATOM 475 OD1 ASP A 30 73.630 -20.824 -9.166 1.00 0.00 O ATOM 476 OD2 ASP A 30 71.635 -21.561 -9.509 1.00 0.00 O ATOM 0 H ASP A 30 71.579 -17.102 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 30 73.888 -18.473 -9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 30 71.068 -19.268 -10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 30 72.449 -19.492 -11.390 1.00 0.00 H new ATOM 481 N THR A 31 73.847 -16.818 -11.393 1.00 0.00 N ATOM 482 CA THR A 31 73.883 -15.706 -12.334 1.00 0.00 C ATOM 483 C THR A 31 74.150 -16.220 -13.743 1.00 0.00 C ATOM 484 O THR A 31 75.026 -17.058 -13.952 1.00 0.00 O ATOM 485 CB THR A 31 74.981 -14.717 -11.934 1.00 0.00 C ATOM 486 OG1 THR A 31 76.241 -15.212 -12.363 1.00 0.00 O ATOM 487 CG2 THR A 31 74.987 -14.545 -10.416 1.00 0.00 C ATOM 0 H THR A 31 74.685 -17.399 -11.384 1.00 0.00 H new ATOM 0 HA THR A 31 72.918 -15.200 -12.314 1.00 0.00 H new ATOM 0 HB THR A 31 74.791 -13.752 -12.405 1.00 0.00 H new ATOM 0 HG1 THR A 31 76.945 -14.579 -12.109 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.769 -13.841 -10.133 1.00 0.00 H new ATOM 0 HG22 THR A 31 74.020 -14.164 -10.089 1.00 0.00 H new ATOM 0 HG23 THR A 31 75.177 -15.508 -9.941 1.00 0.00 H new ATOM 495 N VAL A 32 73.391 -15.714 -14.708 1.00 0.00 N ATOM 496 CA VAL A 32 73.560 -16.132 -16.095 1.00 0.00 C ATOM 497 C VAL A 32 73.617 -14.920 -17.015 1.00 0.00 C ATOM 498 O VAL A 32 72.785 -14.017 -16.919 1.00 0.00 O ATOM 499 CB VAL A 32 72.403 -17.039 -16.514 1.00 0.00 C ATOM 500 CG1 VAL A 32 72.650 -17.562 -17.929 1.00 0.00 C ATOM 501 CG2 VAL A 32 72.307 -18.221 -15.545 1.00 0.00 C ATOM 0 H VAL A 32 72.659 -15.020 -14.558 1.00 0.00 H new ATOM 0 HA VAL A 32 74.498 -16.681 -16.177 1.00 0.00 H new ATOM 0 HB VAL A 32 71.472 -16.473 -16.494 1.00 0.00 H new ATOM 0 HG11 VAL A 32 71.825 -18.209 -18.227 1.00 0.00 H new ATOM 0 HG12 VAL A 32 72.721 -16.722 -18.620 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.581 -18.129 -17.950 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.482 -18.869 -15.842 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.239 -18.786 -15.567 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.131 -17.850 -14.535 1.00 0.00 H new ATOM 511 N ILE A 33 74.599 -14.904 -17.908 1.00 0.00 N ATOM 512 CA ILE A 33 74.747 -13.797 -18.845 1.00 0.00 C ATOM 513 C ILE A 33 74.720 -14.301 -20.284 1.00 0.00 C ATOM 514 O ILE A 33 75.415 -15.258 -20.628 1.00 0.00 O ATOM 515 CB ILE A 33 76.064 -13.064 -18.587 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.092 -12.557 -17.143 1.00 0.00 C ATOM 517 CG2 ILE A 33 76.185 -11.879 -19.545 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.457 -11.933 -16.843 1.00 0.00 C ATOM 0 H ILE A 33 75.300 -15.639 -18.003 1.00 0.00 H new ATOM 0 HA ILE A 33 73.913 -13.111 -18.696 1.00 0.00 H new ATOM 0 HB ILE A 33 76.897 -13.748 -18.748 1.00 0.00 H new ATOM 0 HG12 ILE A 33 75.303 -11.821 -16.990 1.00 0.00 H new ATOM 0 HG13 ILE A 33 75.898 -13.379 -16.455 1.00 0.00 H new ATOM 0 HG21 ILE A 33 77.124 -11.357 -19.361 1.00 0.00 H new ATOM 0 HG22 ILE A 33 76.166 -12.239 -20.574 1.00 0.00 H new ATOM 0 HG23 ILE A 33 75.352 -11.195 -19.385 1.00 0.00 H new ATOM 0 HD11 ILE A 33 77.474 -11.573 -15.814 1.00 0.00 H new ATOM 0 HD12 ILE A 33 78.237 -12.682 -16.978 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.633 -11.099 -17.522 1.00 0.00 H new ATOM 530 N GLU A 34 73.927 -13.645 -21.124 1.00 0.00 N ATOM 531 CA GLU A 34 73.836 -14.030 -22.530 1.00 0.00 C ATOM 532 C GLU A 34 75.210 -13.972 -23.192 1.00 0.00 C ATOM 533 O GLU A 34 76.102 -13.260 -22.730 1.00 0.00 O ATOM 534 CB GLU A 34 72.876 -13.098 -23.271 1.00 0.00 C ATOM 535 CG GLU A 34 73.469 -11.689 -23.338 1.00 0.00 C ATOM 536 CD GLU A 34 72.455 -10.727 -23.951 1.00 0.00 C ATOM 537 OE1 GLU A 34 71.384 -11.180 -24.319 1.00 0.00 O ATOM 538 OE2 GLU A 34 72.766 -9.551 -24.043 1.00 0.00 O ATOM 0 H GLU A 34 73.343 -12.852 -20.861 1.00 0.00 H new ATOM 0 HA GLU A 34 73.460 -15.052 -22.580 1.00 0.00 H new ATOM 0 HB2 GLU A 34 72.694 -13.474 -24.278 1.00 0.00 H new ATOM 0 HB3 GLU A 34 71.913 -13.073 -22.761 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.744 -11.353 -22.338 1.00 0.00 H new ATOM 0 HG3 GLU A 34 74.382 -11.697 -23.934 1.00 0.00 H new ATOM 545 N GLU A 35 75.372 -14.716 -24.283 1.00 0.00 N ATOM 546 CA GLU A 35 76.640 -14.732 -25.006 1.00 0.00 C ATOM 547 C GLU A 35 76.649 -13.662 -26.097 1.00 0.00 C ATOM 548 O GLU A 35 75.672 -13.499 -26.826 1.00 0.00 O ATOM 549 CB GLU A 35 76.867 -16.109 -25.633 1.00 0.00 C ATOM 550 CG GLU A 35 78.250 -16.154 -26.287 1.00 0.00 C ATOM 551 CD GLU A 35 78.453 -17.494 -26.985 1.00 0.00 C ATOM 552 OE1 GLU A 35 77.552 -18.314 -26.926 1.00 0.00 O ATOM 553 OE2 GLU A 35 79.509 -17.681 -27.568 1.00 0.00 O ATOM 0 H GLU A 35 74.647 -15.311 -24.683 1.00 0.00 H new ATOM 0 HA GLU A 35 77.443 -14.520 -24.300 1.00 0.00 H new ATOM 0 HB2 GLU A 35 76.789 -16.884 -24.871 1.00 0.00 H new ATOM 0 HB3 GLU A 35 76.096 -16.313 -26.376 1.00 0.00 H new ATOM 0 HG2 GLU A 35 78.348 -15.341 -27.007 1.00 0.00 H new ATOM 0 HG3 GLU A 35 79.023 -16.007 -25.533 1.00 0.00 H new ATOM 560 N MET A 36 77.762 -12.940 -26.205 1.00 0.00 N ATOM 561 CA MET A 36 77.895 -11.890 -27.212 1.00 0.00 C ATOM 562 C MET A 36 79.340 -11.797 -27.686 1.00 0.00 C ATOM 563 O MET A 36 79.721 -10.827 -28.339 1.00 0.00 O ATOM 564 CB MET A 36 77.474 -10.537 -26.628 1.00 0.00 C ATOM 565 CG MET A 36 75.966 -10.521 -26.375 1.00 0.00 C ATOM 566 SD MET A 36 75.082 -10.688 -27.946 1.00 0.00 S ATOM 567 CE MET A 36 75.675 -9.153 -28.701 1.00 0.00 C ATOM 0 H MET A 36 78.582 -13.062 -25.610 1.00 0.00 H new ATOM 0 HA MET A 36 77.249 -12.140 -28.054 1.00 0.00 H new ATOM 0 HB2 MET A 36 78.009 -10.352 -25.697 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.744 -9.735 -27.316 1.00 0.00 H new ATOM 0 HG2 MET A 36 75.691 -11.335 -25.704 1.00 0.00 H new ATOM 0 HG3 MET A 36 75.680 -9.592 -25.883 1.00 0.00 H new ATOM 0 HE1 MET A 36 74.905 -8.750 -29.359 1.00 0.00 H new ATOM 0 HE2 MET A 36 75.901 -8.427 -27.920 1.00 0.00 H new ATOM 0 HE3 MET A 36 76.576 -9.357 -29.279 1.00 0.00 H new ATOM 577 N SER A 37 80.134 -12.804 -27.321 1.00 0.00 N ATOM 578 CA SER A 37 81.555 -12.855 -27.673 1.00 0.00 C ATOM 579 C SER A 37 82.384 -12.329 -26.509 1.00 0.00 C ATOM 580 O SER A 37 83.114 -11.347 -26.639 1.00 0.00 O ATOM 581 CB SER A 37 81.849 -12.038 -28.934 1.00 0.00 C ATOM 582 OG SER A 37 83.050 -12.515 -29.529 1.00 0.00 O ATOM 0 H SER A 37 79.813 -13.604 -26.776 1.00 0.00 H new ATOM 0 HA SER A 37 81.820 -13.892 -27.878 1.00 0.00 H new ATOM 0 HB2 SER A 37 81.021 -12.123 -29.638 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.947 -10.982 -28.683 1.00 0.00 H new ATOM 0 HG SER A 37 83.243 -11.997 -30.338 1.00 0.00 H new ATOM 588 N LEU A 38 82.255 -12.998 -25.370 1.00 0.00 N ATOM 589 CA LEU A 38 82.984 -12.604 -24.170 1.00 0.00 C ATOM 590 C LEU A 38 83.924 -13.716 -23.715 1.00 0.00 C ATOM 591 O LEU A 38 85.072 -13.462 -23.351 1.00 0.00 O ATOM 592 CB LEU A 38 82.001 -12.260 -23.045 1.00 0.00 C ATOM 593 CG LEU A 38 82.289 -10.854 -22.516 1.00 0.00 C ATOM 594 CD1 LEU A 38 83.741 -10.773 -22.044 1.00 0.00 C ATOM 595 CD2 LEU A 38 82.058 -9.830 -23.630 1.00 0.00 C ATOM 0 H LEU A 38 81.654 -13.814 -25.252 1.00 0.00 H new ATOM 0 HA LEU A 38 83.581 -11.723 -24.408 1.00 0.00 H new ATOM 0 HB2 LEU A 38 80.977 -12.317 -23.415 1.00 0.00 H new ATOM 0 HB3 LEU A 38 82.089 -12.987 -22.238 1.00 0.00 H new ATOM 0 HG LEU A 38 81.622 -10.639 -21.681 1.00 0.00 H new ATOM 0 HD11 LEU A 38 83.946 -9.771 -21.667 1.00 0.00 H new ATOM 0 HD12 LEU A 38 83.906 -11.500 -21.249 1.00 0.00 H new ATOM 0 HD13 LEU A 38 84.408 -10.990 -22.879 1.00 0.00 H new ATOM 0 HD21 LEU A 38 82.263 -8.829 -23.252 1.00 0.00 H new ATOM 0 HD22 LEU A 38 82.723 -10.046 -24.466 1.00 0.00 H new ATOM 0 HD23 LEU A 38 81.023 -9.886 -23.966 1.00 0.00 H new ATOM 607 N PRO A 39 83.455 -14.931 -23.728 1.00 0.00 N ATOM 608 CA PRO A 39 84.254 -16.113 -23.309 1.00 0.00 C ATOM 609 C PRO A 39 85.294 -16.499 -24.357 1.00 0.00 C ATOM 610 O PRO A 39 84.953 -16.803 -25.500 1.00 0.00 O ATOM 611 CB PRO A 39 83.215 -17.234 -23.136 1.00 0.00 C ATOM 612 CG PRO A 39 81.871 -16.634 -23.423 1.00 0.00 C ATOM 613 CD PRO A 39 82.110 -15.312 -24.146 1.00 0.00 C ATOM 0 HA PRO A 39 84.819 -15.914 -22.398 1.00 0.00 H new ATOM 0 HB2 PRO A 39 83.422 -18.060 -23.817 1.00 0.00 H new ATOM 0 HB3 PRO A 39 83.249 -17.638 -22.124 1.00 0.00 H new ATOM 0 HG2 PRO A 39 81.274 -17.306 -24.039 1.00 0.00 H new ATOM 0 HG3 PRO A 39 81.317 -16.472 -22.498 1.00 0.00 H new ATOM 0 HD2 PRO A 39 82.044 -15.429 -25.228 1.00 0.00 H new ATOM 0 HD3 PRO A 39 81.374 -14.560 -23.861 1.00 0.00 H new ATOM 621 N GLY A 40 86.563 -16.493 -23.960 1.00 0.00 N ATOM 622 CA GLY A 40 87.639 -16.852 -24.877 1.00 0.00 C ATOM 623 C GLY A 40 87.844 -18.361 -24.895 1.00 0.00 C ATOM 624 O GLY A 40 87.391 -19.047 -25.811 1.00 0.00 O ATOM 0 H GLY A 40 86.869 -16.246 -23.019 1.00 0.00 H new ATOM 0 HA2 GLY A 40 87.402 -16.499 -25.881 1.00 0.00 H new ATOM 0 HA3 GLY A 40 88.562 -16.357 -24.575 1.00 0.00 H new ATOM 628 N ARG A 41 88.513 -18.877 -23.868 1.00 0.00 N ATOM 629 CA ARG A 41 88.748 -20.311 -23.768 1.00 0.00 C ATOM 630 C ARG A 41 87.551 -20.981 -23.105 1.00 0.00 C ATOM 631 O ARG A 41 87.101 -22.042 -23.534 1.00 0.00 O ATOM 632 CB ARG A 41 90.013 -20.579 -22.949 1.00 0.00 C ATOM 633 CG ARG A 41 90.351 -22.071 -23.001 1.00 0.00 C ATOM 634 CD ARG A 41 91.584 -22.344 -22.136 1.00 0.00 C ATOM 635 NE ARG A 41 92.009 -23.731 -22.277 1.00 0.00 N ATOM 636 CZ ARG A 41 93.215 -24.124 -21.880 1.00 0.00 C ATOM 637 NH1 ARG A 41 94.041 -23.263 -21.350 1.00 0.00 N ATOM 638 NH2 ARG A 41 93.575 -25.371 -22.020 1.00 0.00 N ATOM 0 H ARG A 41 88.899 -18.328 -23.100 1.00 0.00 H new ATOM 0 HA ARG A 41 88.882 -20.721 -24.769 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.844 -19.994 -23.342 1.00 0.00 H new ATOM 0 HB3 ARG A 41 89.863 -20.265 -21.916 1.00 0.00 H new ATOM 0 HG2 ARG A 41 89.506 -22.659 -22.644 1.00 0.00 H new ATOM 0 HG3 ARG A 41 90.540 -22.377 -24.030 1.00 0.00 H new ATOM 0 HD2 ARG A 41 92.395 -21.677 -22.428 1.00 0.00 H new ATOM 0 HD3 ARG A 41 91.357 -22.131 -21.091 1.00 0.00 H new ATOM 0 HE ARG A 41 91.370 -24.412 -22.687 1.00 0.00 H new ATOM 0 HH11 ARG A 41 93.761 -22.288 -21.240 1.00 0.00 H new ATOM 0 HH12 ARG A 41 94.966 -23.565 -21.045 1.00 0.00 H new ATOM 0 HH21 ARG A 41 92.931 -26.044 -22.434 1.00 0.00 H new ATOM 0 HH22 ARG A 41 94.501 -25.672 -21.715 1.00 0.00 H new ATOM 652 N TRP A 42 87.044 -20.329 -22.057 1.00 0.00 N ATOM 653 CA TRP A 42 85.888 -20.823 -21.308 1.00 0.00 C ATOM 654 C TRP A 42 86.008 -22.306 -20.976 1.00 0.00 C ATOM 655 O TRP A 42 86.874 -23.010 -21.493 1.00 0.00 O ATOM 656 CB TRP A 42 84.602 -20.587 -22.106 1.00 0.00 C ATOM 657 CG TRP A 42 84.706 -21.246 -23.444 1.00 0.00 C ATOM 658 CD1 TRP A 42 85.165 -20.650 -24.565 1.00 0.00 C ATOM 659 CD2 TRP A 42 84.356 -22.610 -23.820 1.00 0.00 C ATOM 660 NE1 TRP A 42 85.118 -21.558 -25.608 1.00 0.00 N ATOM 661 CE2 TRP A 42 84.628 -22.781 -25.197 1.00 0.00 C ATOM 662 CE3 TRP A 42 83.836 -23.703 -23.107 1.00 0.00 C ATOM 663 CZ2 TRP A 42 84.392 -23.995 -25.845 1.00 0.00 C ATOM 664 CZ3 TRP A 42 83.596 -24.926 -23.754 1.00 0.00 C ATOM 665 CH2 TRP A 42 83.873 -25.072 -25.120 1.00 0.00 C ATOM 0 H TRP A 42 87.421 -19.449 -21.705 1.00 0.00 H new ATOM 0 HA TRP A 42 85.854 -20.269 -20.370 1.00 0.00 H new ATOM 0 HB2 TRP A 42 83.747 -20.985 -21.560 1.00 0.00 H new ATOM 0 HB3 TRP A 42 84.431 -19.518 -22.230 1.00 0.00 H new ATOM 0 HD1 TRP A 42 85.513 -19.630 -24.636 1.00 0.00 H new ATOM 0 HE1 TRP A 42 85.410 -21.349 -26.563 1.00 0.00 H new ATOM 0 HE3 TRP A 42 83.619 -23.602 -22.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 84.609 -24.101 -26.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 83.196 -25.759 -23.196 1.00 0.00 H new ATOM 0 HH2 TRP A 42 83.686 -26.015 -25.612 1.00 0.00 H new ATOM 676 N LYS A 43 85.118 -22.772 -20.104 1.00 0.00 N ATOM 677 CA LYS A 43 85.109 -24.173 -19.705 1.00 0.00 C ATOM 678 C LYS A 43 83.683 -24.730 -19.793 1.00 0.00 C ATOM 679 O LYS A 43 82.725 -24.039 -19.436 1.00 0.00 O ATOM 680 CB LYS A 43 85.625 -24.315 -18.272 1.00 0.00 C ATOM 681 CG LYS A 43 86.997 -23.653 -18.153 1.00 0.00 C ATOM 682 CD LYS A 43 87.388 -23.558 -16.677 1.00 0.00 C ATOM 683 CE LYS A 43 87.084 -22.150 -16.161 1.00 0.00 C ATOM 684 NZ LYS A 43 88.033 -21.180 -16.776 1.00 0.00 N ATOM 0 H LYS A 43 84.397 -22.201 -19.663 1.00 0.00 H new ATOM 0 HA LYS A 43 85.759 -24.734 -20.376 1.00 0.00 H new ATOM 0 HB2 LYS A 43 84.925 -23.853 -17.575 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.694 -25.369 -18.002 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.741 -24.231 -18.701 1.00 0.00 H new ATOM 0 HG3 LYS A 43 86.973 -22.659 -18.599 1.00 0.00 H new ATOM 0 HD2 LYS A 43 86.838 -24.297 -16.095 1.00 0.00 H new ATOM 0 HD3 LYS A 43 88.448 -23.781 -16.555 1.00 0.00 H new ATOM 0 HE2 LYS A 43 86.058 -21.875 -16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 43 87.172 -22.122 -15.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 88.169 -20.373 -16.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 88.947 -21.647 -16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 87.646 -20.841 -17.680 1.00 0.00 H new ATOM 698 N PRO A 44 83.519 -25.944 -20.266 1.00 0.00 N ATOM 699 CA PRO A 44 82.172 -26.577 -20.402 1.00 0.00 C ATOM 700 C PRO A 44 81.543 -26.937 -19.057 1.00 0.00 C ATOM 701 O PRO A 44 82.199 -27.504 -18.183 1.00 0.00 O ATOM 702 CB PRO A 44 82.442 -27.838 -21.226 1.00 0.00 C ATOM 703 CG PRO A 44 83.875 -28.172 -20.978 1.00 0.00 C ATOM 704 CD PRO A 44 84.591 -26.847 -20.721 1.00 0.00 C ATOM 0 HA PRO A 44 81.459 -25.896 -20.866 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.789 -28.655 -20.920 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.257 -27.662 -22.286 1.00 0.00 H new ATOM 0 HG2 PRO A 44 83.975 -28.839 -20.122 1.00 0.00 H new ATOM 0 HG3 PRO A 44 84.308 -28.687 -21.836 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.370 -26.954 -19.966 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.072 -26.472 -21.624 1.00 0.00 H new ATOM 712 N LYS A 45 80.262 -26.616 -18.912 1.00 0.00 N ATOM 713 CA LYS A 45 79.531 -26.917 -17.687 1.00 0.00 C ATOM 714 C LYS A 45 78.125 -27.401 -18.025 1.00 0.00 C ATOM 715 O LYS A 45 77.511 -26.923 -18.978 1.00 0.00 O ATOM 716 CB LYS A 45 79.442 -25.676 -16.795 1.00 0.00 C ATOM 717 CG LYS A 45 78.758 -26.049 -15.477 1.00 0.00 C ATOM 718 CD LYS A 45 78.593 -24.798 -14.610 1.00 0.00 C ATOM 719 CE LYS A 45 78.040 -25.195 -13.240 1.00 0.00 C ATOM 720 NZ LYS A 45 79.051 -24.890 -12.189 1.00 0.00 N ATOM 0 H LYS A 45 79.708 -26.147 -19.629 1.00 0.00 H new ATOM 0 HA LYS A 45 80.067 -27.700 -17.151 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.439 -25.281 -16.601 1.00 0.00 H new ATOM 0 HB3 LYS A 45 78.880 -24.890 -17.300 1.00 0.00 H new ATOM 0 HG2 LYS A 45 77.784 -26.497 -15.675 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.350 -26.795 -14.947 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.552 -24.294 -14.494 1.00 0.00 H new ATOM 0 HD3 LYS A 45 77.919 -24.093 -15.096 1.00 0.00 H new ATOM 0 HE2 LYS A 45 77.116 -24.654 -13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 45 77.797 -26.257 -13.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 78.676 -25.160 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 79.922 -25.425 -12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 79.262 -23.872 -12.195 1.00 0.00 H new ATOM 734 N MET A 46 77.616 -28.347 -17.244 1.00 0.00 N ATOM 735 CA MET A 46 76.277 -28.871 -17.486 1.00 0.00 C ATOM 736 C MET A 46 75.323 -28.420 -16.384 1.00 0.00 C ATOM 737 O MET A 46 75.672 -28.437 -15.204 1.00 0.00 O ATOM 738 CB MET A 46 76.312 -30.399 -17.541 1.00 0.00 C ATOM 739 CG MET A 46 77.147 -30.847 -18.743 1.00 0.00 C ATOM 740 SD MET A 46 77.069 -32.648 -18.892 1.00 0.00 S ATOM 741 CE MET A 46 78.222 -32.813 -20.277 1.00 0.00 C ATOM 0 H MET A 46 78.102 -28.762 -16.449 1.00 0.00 H new ATOM 0 HA MET A 46 75.923 -28.485 -18.442 1.00 0.00 H new ATOM 0 HB2 MET A 46 76.738 -30.797 -16.620 1.00 0.00 H new ATOM 0 HB3 MET A 46 75.299 -30.794 -17.621 1.00 0.00 H new ATOM 0 HG2 MET A 46 76.773 -30.379 -19.654 1.00 0.00 H new ATOM 0 HG3 MET A 46 78.181 -30.526 -18.621 1.00 0.00 H new ATOM 0 HE1 MET A 46 78.326 -33.866 -20.541 1.00 0.00 H new ATOM 0 HE2 MET A 46 77.841 -32.260 -21.135 1.00 0.00 H new ATOM 0 HE3 MET A 46 79.195 -32.413 -19.990 1.00 0.00 H new ATOM 751 N ILE A 47 74.112 -28.033 -16.773 1.00 0.00 N ATOM 752 CA ILE A 47 73.119 -27.598 -15.796 1.00 0.00 C ATOM 753 C ILE A 47 71.730 -28.107 -16.169 1.00 0.00 C ATOM 754 O ILE A 47 71.494 -28.518 -17.305 1.00 0.00 O ATOM 755 CB ILE A 47 73.105 -26.068 -15.688 1.00 0.00 C ATOM 756 CG1 ILE A 47 72.591 -25.446 -16.992 1.00 0.00 C ATOM 757 CG2 ILE A 47 74.522 -25.563 -15.413 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.444 -23.935 -16.805 1.00 0.00 C ATOM 0 H ILE A 47 73.797 -28.011 -17.743 1.00 0.00 H new ATOM 0 HA ILE A 47 73.393 -28.018 -14.828 1.00 0.00 H new ATOM 0 HB ILE A 47 72.443 -25.780 -14.871 1.00 0.00 H new ATOM 0 HG12 ILE A 47 73.283 -25.658 -17.807 1.00 0.00 H new ATOM 0 HG13 ILE A 47 71.632 -25.886 -17.265 1.00 0.00 H new ATOM 0 HG21 ILE A 47 74.512 -24.476 -15.336 1.00 0.00 H new ATOM 0 HG22 ILE A 47 74.885 -25.990 -14.478 1.00 0.00 H new ATOM 0 HG23 ILE A 47 75.180 -25.863 -16.229 1.00 0.00 H new ATOM 0 HD11 ILE A 47 72.079 -23.488 -17.730 1.00 0.00 H new ATOM 0 HD12 ILE A 47 71.736 -23.735 -16.001 1.00 0.00 H new ATOM 0 HD13 ILE A 47 73.412 -23.504 -16.551 1.00 0.00 H new ATOM 770 N GLY A 48 70.815 -28.068 -15.207 1.00 0.00 N ATOM 771 CA GLY A 48 69.448 -28.520 -15.446 1.00 0.00 C ATOM 772 C GLY A 48 69.183 -29.858 -14.768 1.00 0.00 C ATOM 773 O GLY A 48 68.034 -30.208 -14.496 1.00 0.00 O ATOM 0 H GLY A 48 70.992 -27.731 -14.261 1.00 0.00 H new ATOM 0 HA2 GLY A 48 68.745 -27.775 -15.073 1.00 0.00 H new ATOM 0 HA3 GLY A 48 69.275 -28.612 -16.518 1.00 0.00 H new ATOM 777 N GLY A 49 70.247 -30.603 -14.492 1.00 0.00 N ATOM 778 CA GLY A 49 70.105 -31.897 -13.838 1.00 0.00 C ATOM 779 C GLY A 49 69.072 -32.759 -14.557 1.00 0.00 C ATOM 780 O GLY A 49 69.135 -32.939 -15.772 1.00 0.00 O ATOM 0 H GLY A 49 71.208 -30.337 -14.708 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.067 -32.410 -13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 49 69.806 -31.754 -12.800 1.00 0.00 H new ATOM 784 N ILE A 50 68.120 -33.286 -13.792 1.00 0.00 N ATOM 785 CA ILE A 50 67.072 -34.128 -14.356 1.00 0.00 C ATOM 786 C ILE A 50 66.242 -33.354 -15.378 1.00 0.00 C ATOM 787 O ILE A 50 65.682 -33.938 -16.307 1.00 0.00 O ATOM 788 CB ILE A 50 66.160 -34.636 -13.239 1.00 0.00 C ATOM 789 CG1 ILE A 50 65.293 -35.783 -13.763 1.00 0.00 C ATOM 790 CG2 ILE A 50 65.261 -33.496 -12.759 1.00 0.00 C ATOM 791 CD1 ILE A 50 64.618 -36.491 -12.588 1.00 0.00 C ATOM 0 H ILE A 50 68.053 -33.145 -12.784 1.00 0.00 H new ATOM 0 HA ILE A 50 67.544 -34.972 -14.859 1.00 0.00 H new ATOM 0 HB ILE A 50 66.770 -34.995 -12.410 1.00 0.00 H new ATOM 0 HG12 ILE A 50 64.540 -35.399 -14.451 1.00 0.00 H new ATOM 0 HG13 ILE A 50 65.906 -36.489 -14.323 1.00 0.00 H new ATOM 0 HG21 ILE A 50 64.610 -33.857 -11.963 1.00 0.00 H new ATOM 0 HG22 ILE A 50 65.878 -32.680 -12.382 1.00 0.00 H new ATOM 0 HG23 ILE A 50 64.653 -33.137 -13.590 1.00 0.00 H new ATOM 0 HD11 ILE A 50 64.001 -37.308 -12.962 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.379 -36.889 -11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 50 63.992 -35.782 -12.047 1.00 0.00 H new ATOM 803 N GLY A 51 66.167 -32.038 -15.201 1.00 0.00 N ATOM 804 CA GLY A 51 65.402 -31.195 -16.114 1.00 0.00 C ATOM 805 C GLY A 51 66.113 -31.064 -17.456 1.00 0.00 C ATOM 806 O GLY A 51 65.823 -30.159 -18.239 1.00 0.00 O ATOM 0 H GLY A 51 66.623 -31.535 -14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 51 64.410 -31.620 -16.263 1.00 0.00 H new ATOM 0 HA3 GLY A 51 65.263 -30.208 -15.674 1.00 0.00 H new ATOM 810 N GLY A 52 67.046 -31.973 -17.712 1.00 0.00 N ATOM 811 CA GLY A 52 67.802 -31.953 -18.958 1.00 0.00 C ATOM 812 C GLY A 52 69.174 -31.328 -18.742 1.00 0.00 C ATOM 813 O GLY A 52 69.339 -30.456 -17.890 1.00 0.00 O ATOM 0 H GLY A 52 67.297 -32.730 -17.076 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.915 -32.968 -19.338 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.254 -31.389 -19.713 1.00 0.00 H new ATOM 817 N PHE A 53 70.157 -31.780 -19.511 1.00 0.00 N ATOM 818 CA PHE A 53 71.510 -31.256 -19.381 1.00 0.00 C ATOM 819 C PHE A 53 71.896 -30.417 -20.597 1.00 0.00 C ATOM 820 O PHE A 53 71.818 -30.883 -21.733 1.00 0.00 O ATOM 821 CB PHE A 53 72.500 -32.411 -19.228 1.00 0.00 C ATOM 822 CG PHE A 53 72.202 -33.167 -17.956 1.00 0.00 C ATOM 823 CD1 PHE A 53 71.293 -34.232 -17.971 1.00 0.00 C ATOM 824 CD2 PHE A 53 72.834 -32.802 -16.762 1.00 0.00 C ATOM 825 CE1 PHE A 53 71.019 -34.933 -16.791 1.00 0.00 C ATOM 826 CE2 PHE A 53 72.560 -33.504 -15.582 1.00 0.00 C ATOM 827 CZ PHE A 53 71.651 -34.568 -15.596 1.00 0.00 C ATOM 0 H PHE A 53 70.045 -32.501 -20.224 1.00 0.00 H new ATOM 0 HA PHE A 53 71.542 -30.619 -18.497 1.00 0.00 H new ATOM 0 HB2 PHE A 53 72.430 -33.080 -20.086 1.00 0.00 H new ATOM 0 HB3 PHE A 53 73.520 -32.028 -19.205 1.00 0.00 H new ATOM 0 HD1 PHE A 53 70.804 -34.512 -18.892 1.00 0.00 H new ATOM 0 HD2 PHE A 53 73.533 -31.979 -16.751 1.00 0.00 H new ATOM 0 HE1 PHE A 53 70.320 -35.756 -16.802 1.00 0.00 H new ATOM 0 HE2 PHE A 53 73.050 -33.224 -14.661 1.00 0.00 H new ATOM 0 HZ PHE A 53 71.437 -35.108 -14.685 1.00 0.00 H new ATOM 837 N ILE A 54 72.330 -29.187 -20.344 1.00 0.00 N ATOM 838 CA ILE A 54 72.751 -28.290 -21.415 1.00 0.00 C ATOM 839 C ILE A 54 74.167 -27.806 -21.133 1.00 0.00 C ATOM 840 O ILE A 54 74.525 -27.576 -19.977 1.00 0.00 O ATOM 841 CB ILE A 54 71.804 -27.091 -21.512 1.00 0.00 C ATOM 842 CG1 ILE A 54 72.237 -26.184 -22.671 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.851 -26.297 -20.206 1.00 0.00 C ATOM 844 CD1 ILE A 54 71.043 -25.348 -23.137 1.00 0.00 C ATOM 0 H ILE A 54 72.400 -28.788 -19.408 1.00 0.00 H new ATOM 0 HA ILE A 54 72.726 -28.828 -22.362 1.00 0.00 H new ATOM 0 HB ILE A 54 70.789 -27.448 -21.688 1.00 0.00 H new ATOM 0 HG12 ILE A 54 73.050 -25.531 -22.352 1.00 0.00 H new ATOM 0 HG13 ILE A 54 72.617 -26.786 -23.496 1.00 0.00 H new ATOM 0 HG21 ILE A 54 71.177 -25.443 -20.275 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.543 -26.937 -19.380 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.867 -25.944 -20.031 1.00 0.00 H new ATOM 0 HD11 ILE A 54 71.350 -24.703 -23.961 1.00 0.00 H new ATOM 0 HD12 ILE A 54 70.244 -26.010 -23.472 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.683 -24.735 -22.311 1.00 0.00 H new ATOM 856 N LYS A 55 74.970 -27.655 -22.179 1.00 0.00 N ATOM 857 CA LYS A 55 76.346 -27.202 -22.002 1.00 0.00 C ATOM 858 C LYS A 55 76.403 -25.684 -21.893 1.00 0.00 C ATOM 859 O LYS A 55 76.002 -24.967 -22.810 1.00 0.00 O ATOM 860 CB LYS A 55 77.206 -27.663 -23.180 1.00 0.00 C ATOM 861 CG LYS A 55 77.298 -29.189 -23.180 1.00 0.00 C ATOM 862 CD LYS A 55 78.245 -29.644 -24.292 1.00 0.00 C ATOM 863 CE LYS A 55 78.258 -31.173 -24.363 1.00 0.00 C ATOM 864 NZ LYS A 55 78.419 -31.603 -25.780 1.00 0.00 N ATOM 0 H LYS A 55 74.699 -27.836 -23.145 1.00 0.00 H new ATOM 0 HA LYS A 55 76.732 -27.635 -21.079 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.773 -27.314 -24.118 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.203 -27.228 -23.108 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.659 -29.542 -22.214 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.310 -29.623 -23.329 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.926 -29.228 -25.248 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.251 -29.270 -24.102 1.00 0.00 H new ATOM 0 HE2 LYS A 55 79.073 -31.569 -23.757 1.00 0.00 H new ATOM 0 HE3 LYS A 55 77.331 -31.575 -23.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 78.428 -32.642 -25.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 77.627 -31.237 -26.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 79.315 -31.231 -26.156 1.00 0.00 H new ATOM 878 N VAL A 56 76.901 -25.203 -20.761 1.00 0.00 N ATOM 879 CA VAL A 56 77.009 -23.771 -20.525 1.00 0.00 C ATOM 880 C VAL A 56 78.468 -23.369 -20.346 1.00 0.00 C ATOM 881 O VAL A 56 79.231 -24.055 -19.666 1.00 0.00 O ATOM 882 CB VAL A 56 76.210 -23.400 -19.275 1.00 0.00 C ATOM 883 CG1 VAL A 56 76.268 -21.890 -19.044 1.00 0.00 C ATOM 884 CG2 VAL A 56 74.756 -23.826 -19.469 1.00 0.00 C ATOM 0 H VAL A 56 77.236 -25.784 -19.993 1.00 0.00 H new ATOM 0 HA VAL A 56 76.607 -23.238 -21.387 1.00 0.00 H new ATOM 0 HB VAL A 56 76.637 -23.908 -18.410 1.00 0.00 H new ATOM 0 HG11 VAL A 56 75.696 -21.636 -18.152 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.305 -21.582 -18.910 1.00 0.00 H new ATOM 0 HG13 VAL A 56 75.844 -21.374 -19.905 1.00 0.00 H new ATOM 0 HG21 VAL A 56 74.179 -23.565 -18.582 1.00 0.00 H new ATOM 0 HG22 VAL A 56 74.339 -23.314 -20.336 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.711 -24.903 -19.627 1.00 0.00 H new ATOM 894 N ARG A 57 78.849 -22.258 -20.961 1.00 0.00 N ATOM 895 CA ARG A 57 80.220 -21.778 -20.862 1.00 0.00 C ATOM 896 C ARG A 57 80.369 -20.842 -19.669 1.00 0.00 C ATOM 897 O ARG A 57 79.537 -19.962 -19.455 1.00 0.00 O ATOM 898 CB ARG A 57 80.602 -21.036 -22.143 1.00 0.00 C ATOM 899 CG ARG A 57 80.589 -22.010 -23.322 1.00 0.00 C ATOM 900 CD ARG A 57 81.091 -21.292 -24.575 1.00 0.00 C ATOM 901 NE ARG A 57 80.640 -21.984 -25.786 1.00 0.00 N ATOM 902 CZ ARG A 57 80.775 -23.299 -25.950 1.00 0.00 C ATOM 903 NH1 ARG A 57 81.491 -24.002 -25.117 1.00 0.00 N ATOM 904 NH2 ARG A 57 80.235 -23.878 -26.987 1.00 0.00 N ATOM 0 H ARG A 57 78.234 -21.676 -21.529 1.00 0.00 H new ATOM 0 HA ARG A 57 80.881 -22.634 -20.725 1.00 0.00 H new ATOM 0 HB2 ARG A 57 79.903 -20.220 -22.325 1.00 0.00 H new ATOM 0 HB3 ARG A 57 81.591 -20.591 -22.037 1.00 0.00 H new ATOM 0 HG2 ARG A 57 81.221 -22.871 -23.104 1.00 0.00 H new ATOM 0 HG3 ARG A 57 79.580 -22.388 -23.485 1.00 0.00 H new ATOM 0 HD2 ARG A 57 80.728 -20.264 -24.581 1.00 0.00 H new ATOM 0 HD3 ARG A 57 82.180 -21.245 -24.561 1.00 0.00 H new ATOM 0 HE ARG A 57 80.207 -21.438 -26.531 1.00 0.00 H new ATOM 0 HH11 ARG A 57 81.954 -23.545 -24.331 1.00 0.00 H new ATOM 0 HH12 ARG A 57 81.588 -25.008 -25.251 1.00 0.00 H new ATOM 0 HH21 ARG A 57 79.713 -23.324 -27.666 1.00 0.00 H new ATOM 0 HH22 ARG A 57 80.335 -24.885 -27.119 1.00 0.00 H new ATOM 918 N GLN A 58 81.429 -21.039 -18.891 1.00 0.00 N ATOM 919 CA GLN A 58 81.659 -20.199 -17.720 1.00 0.00 C ATOM 920 C GLN A 58 83.025 -19.530 -17.791 1.00 0.00 C ATOM 921 O GLN A 58 83.997 -20.133 -18.246 1.00 0.00 O ATOM 922 CB GLN A 58 81.573 -21.042 -16.445 1.00 0.00 C ATOM 923 CG GLN A 58 82.848 -21.877 -16.292 1.00 0.00 C ATOM 924 CD GLN A 58 82.662 -22.920 -15.195 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.620 -23.572 -15.129 1.00 0.00 O ATOM 926 NE2 GLN A 58 83.613 -23.117 -14.323 1.00 0.00 N ATOM 0 H GLN A 58 82.133 -21.761 -19.046 1.00 0.00 H new ATOM 0 HA GLN A 58 80.890 -19.426 -17.702 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.444 -20.395 -15.577 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.702 -21.695 -16.487 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.086 -22.368 -17.235 1.00 0.00 H new ATOM 0 HG3 GLN A 58 83.690 -21.229 -16.049 1.00 0.00 H new ATOM 0 HE21 GLN A 58 84.476 -22.576 -14.379 1.00 0.00 H new ATOM 0 HE22 GLN A 58 83.493 -23.812 -13.586 1.00 0.00 H new ATOM 935 N TYR A 59 83.099 -18.282 -17.331 1.00 0.00 N ATOM 936 CA TYR A 59 84.368 -17.562 -17.345 1.00 0.00 C ATOM 937 C TYR A 59 84.673 -16.989 -15.966 1.00 0.00 C ATOM 938 O TYR A 59 83.771 -16.552 -15.251 1.00 0.00 O ATOM 939 CB TYR A 59 84.333 -16.437 -18.378 1.00 0.00 C ATOM 940 CG TYR A 59 85.671 -16.373 -19.072 1.00 0.00 C ATOM 941 CD1 TYR A 59 86.729 -15.667 -18.492 1.00 0.00 C ATOM 942 CD2 TYR A 59 85.852 -17.030 -20.294 1.00 0.00 C ATOM 943 CE1 TYR A 59 87.971 -15.615 -19.136 1.00 0.00 C ATOM 944 CE2 TYR A 59 87.093 -16.978 -20.938 1.00 0.00 C ATOM 945 CZ TYR A 59 88.153 -16.271 -20.360 1.00 0.00 C ATOM 946 OH TYR A 59 89.377 -16.220 -20.996 1.00 0.00 O ATOM 0 H TYR A 59 82.311 -17.758 -16.951 1.00 0.00 H new ATOM 0 HA TYR A 59 85.155 -18.266 -17.616 1.00 0.00 H new ATOM 0 HB2 TYR A 59 83.540 -16.615 -19.104 1.00 0.00 H new ATOM 0 HB3 TYR A 59 84.113 -15.486 -17.893 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.588 -15.162 -17.548 1.00 0.00 H new ATOM 0 HD2 TYR A 59 85.034 -17.577 -20.740 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.789 -15.069 -18.689 1.00 0.00 H new ATOM 0 HE2 TYR A 59 87.233 -17.484 -21.882 1.00 0.00 H new ATOM 0 HH TYR A 59 89.332 -16.728 -21.833 1.00 0.00 H new ATOM 956 N ASP A 60 85.950 -17.002 -15.594 1.00 0.00 N ATOM 957 CA ASP A 60 86.358 -16.490 -14.291 1.00 0.00 C ATOM 958 C ASP A 60 87.336 -15.327 -14.434 1.00 0.00 C ATOM 959 O ASP A 60 87.842 -15.053 -15.521 1.00 0.00 O ATOM 960 CB ASP A 60 87.015 -17.607 -13.477 1.00 0.00 C ATOM 961 CG ASP A 60 85.996 -18.699 -13.169 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.820 -18.466 -13.397 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.405 -19.751 -12.709 1.00 0.00 O ATOM 0 H ASP A 60 86.713 -17.358 -16.170 1.00 0.00 H new ATOM 0 HA ASP A 60 85.467 -16.130 -13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.854 -18.027 -14.032 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.418 -17.202 -12.549 1.00 0.00 H new ATOM 968 N GLN A 61 87.598 -14.657 -13.314 1.00 0.00 N ATOM 969 CA GLN A 61 88.523 -13.526 -13.285 1.00 0.00 C ATOM 970 C GLN A 61 88.050 -12.386 -14.182 1.00 0.00 C ATOM 971 O GLN A 61 88.857 -11.741 -14.853 1.00 0.00 O ATOM 972 CB GLN A 61 89.916 -13.981 -13.723 1.00 0.00 C ATOM 973 CG GLN A 61 90.426 -15.054 -12.759 1.00 0.00 C ATOM 974 CD GLN A 61 91.797 -15.547 -13.205 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.189 -15.342 -14.354 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.556 -16.188 -12.360 1.00 0.00 N ATOM 0 H GLN A 61 87.180 -14.879 -12.410 1.00 0.00 H new ATOM 0 HA GLN A 61 88.560 -13.155 -12.261 1.00 0.00 H new ATOM 0 HB2 GLN A 61 89.879 -14.376 -14.738 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.600 -13.133 -13.736 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.487 -14.648 -11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.724 -15.887 -12.725 1.00 0.00 H new ATOM 0 HE21 GLN A 61 92.230 -16.357 -11.408 1.00 0.00 H new ATOM 0 HE22 GLN A 61 93.476 -16.520 -12.651 1.00 0.00 H new ATOM 985 N ILE A 62 86.746 -12.134 -14.188 1.00 0.00 N ATOM 986 CA ILE A 62 86.192 -11.061 -15.005 1.00 0.00 C ATOM 987 C ILE A 62 85.635 -9.952 -14.117 1.00 0.00 C ATOM 988 O ILE A 62 85.028 -10.219 -13.079 1.00 0.00 O ATOM 989 CB ILE A 62 85.080 -11.602 -15.907 1.00 0.00 C ATOM 990 CG1 ILE A 62 85.603 -12.795 -16.715 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.623 -10.503 -16.867 1.00 0.00 C ATOM 992 CD1 ILE A 62 86.900 -12.410 -17.430 1.00 0.00 C ATOM 0 H ILE A 62 86.058 -12.653 -13.642 1.00 0.00 H new ATOM 0 HA ILE A 62 86.990 -10.654 -15.626 1.00 0.00 H new ATOM 0 HB ILE A 62 84.241 -11.923 -15.290 1.00 0.00 H new ATOM 0 HG12 ILE A 62 85.780 -13.644 -16.054 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.855 -13.108 -17.443 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.831 -10.888 -17.510 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.247 -9.654 -16.296 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.465 -10.183 -17.481 1.00 0.00 H new ATOM 0 HD11 ILE A 62 87.267 -13.262 -18.002 1.00 0.00 H new ATOM 0 HD12 ILE A 62 86.710 -11.575 -18.104 1.00 0.00 H new ATOM 0 HD13 ILE A 62 87.649 -12.119 -16.693 1.00 0.00 H new ATOM 1004 N ILE A 63 85.852 -8.707 -14.531 1.00 0.00 N ATOM 1005 CA ILE A 63 85.378 -7.565 -13.769 1.00 0.00 C ATOM 1006 C ILE A 63 84.257 -6.843 -14.515 1.00 0.00 C ATOM 1007 O ILE A 63 84.286 -6.732 -15.740 1.00 0.00 O ATOM 1008 CB ILE A 63 86.542 -6.603 -13.527 1.00 0.00 C ATOM 1009 CG1 ILE A 63 87.018 -6.013 -14.861 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.699 -7.356 -12.868 1.00 0.00 C ATOM 1011 CD1 ILE A 63 88.165 -5.035 -14.605 1.00 0.00 C ATOM 0 H ILE A 63 86.352 -8.468 -15.387 1.00 0.00 H new ATOM 0 HA ILE A 63 84.983 -7.917 -12.816 1.00 0.00 H new ATOM 0 HB ILE A 63 86.208 -5.797 -12.874 1.00 0.00 H new ATOM 0 HG12 ILE A 63 87.348 -6.811 -15.527 1.00 0.00 H new ATOM 0 HG13 ILE A 63 86.194 -5.502 -15.359 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.528 -6.670 -12.696 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.368 -7.771 -11.916 1.00 0.00 H new ATOM 0 HG23 ILE A 63 88.027 -8.164 -13.522 1.00 0.00 H new ATOM 0 HD11 ILE A 63 88.504 -4.615 -15.552 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.819 -4.231 -13.955 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.991 -5.560 -14.125 1.00 0.00 H new ATOM 1023 N ILE A 64 83.278 -6.349 -13.765 1.00 0.00 N ATOM 1024 CA ILE A 64 82.155 -5.633 -14.362 1.00 0.00 C ATOM 1025 C ILE A 64 81.879 -4.336 -13.604 1.00 0.00 C ATOM 1026 O ILE A 64 82.278 -4.188 -12.449 1.00 0.00 O ATOM 1027 CB ILE A 64 80.908 -6.523 -14.351 1.00 0.00 C ATOM 1028 CG1 ILE A 64 80.478 -6.793 -12.906 1.00 0.00 C ATOM 1029 CG2 ILE A 64 81.223 -7.850 -15.042 1.00 0.00 C ATOM 1030 CD1 ILE A 64 79.228 -7.677 -12.905 1.00 0.00 C ATOM 0 H ILE A 64 83.238 -6.430 -12.749 1.00 0.00 H new ATOM 0 HA ILE A 64 82.409 -5.382 -15.392 1.00 0.00 H new ATOM 0 HB ILE A 64 80.101 -6.017 -14.880 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.284 -7.283 -12.360 1.00 0.00 H new ATOM 0 HG13 ILE A 64 80.273 -5.853 -12.394 1.00 0.00 H new ATOM 0 HG21 ILE A 64 80.336 -8.484 -15.034 1.00 0.00 H new ATOM 0 HG22 ILE A 64 81.525 -7.661 -16.072 1.00 0.00 H new ATOM 0 HG23 ILE A 64 82.033 -8.353 -14.513 1.00 0.00 H new ATOM 0 HD11 ILE A 64 78.920 -7.871 -11.877 1.00 0.00 H new ATOM 0 HD12 ILE A 64 78.423 -7.169 -13.436 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.450 -8.622 -13.401 1.00 0.00 H new ATOM 1042 N GLU A 65 81.192 -3.401 -14.255 1.00 0.00 N ATOM 1043 CA GLU A 65 80.870 -2.128 -13.616 1.00 0.00 C ATOM 1044 C GLU A 65 79.374 -2.035 -13.330 1.00 0.00 C ATOM 1045 O GLU A 65 78.553 -2.134 -14.243 1.00 0.00 O ATOM 1046 CB GLU A 65 81.288 -0.968 -14.524 1.00 0.00 C ATOM 1047 CG GLU A 65 82.792 -1.045 -14.795 1.00 0.00 C ATOM 1048 CD GLU A 65 83.236 0.152 -15.629 1.00 0.00 C ATOM 1049 OE1 GLU A 65 82.373 0.882 -16.088 1.00 0.00 O ATOM 1050 OE2 GLU A 65 84.432 0.322 -15.796 1.00 0.00 O ATOM 0 H GLU A 65 80.851 -3.498 -15.212 1.00 0.00 H new ATOM 0 HA GLU A 65 81.414 -2.068 -12.674 1.00 0.00 H new ATOM 0 HB2 GLU A 65 80.736 -1.011 -15.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.041 -0.017 -14.053 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.339 -1.064 -13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.028 -1.971 -15.319 1.00 0.00 H new ATOM 1057 N ILE A 66 79.024 -1.842 -12.061 1.00 0.00 N ATOM 1058 CA ILE A 66 77.620 -1.735 -11.678 1.00 0.00 C ATOM 1059 C ILE A 66 77.382 -0.469 -10.863 1.00 0.00 C ATOM 1060 O ILE A 66 78.058 -0.232 -9.861 1.00 0.00 O ATOM 1061 CB ILE A 66 77.207 -2.959 -10.859 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.458 -4.227 -11.678 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.721 -2.862 -10.513 1.00 0.00 C ATOM 1064 CD1 ILE A 66 77.212 -5.460 -10.807 1.00 0.00 C ATOM 0 H ILE A 66 79.685 -1.757 -11.289 1.00 0.00 H new ATOM 0 HA ILE A 66 77.018 -1.687 -12.585 1.00 0.00 H new ATOM 0 HB ILE A 66 77.792 -2.997 -9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.800 -4.246 -12.547 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.482 -4.233 -12.053 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.426 -3.734 -9.929 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.541 -1.958 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.135 -2.825 -11.431 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.392 -6.361 -11.393 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.888 -5.442 -9.952 1.00 0.00 H new ATOM 0 HD13 ILE A 66 76.181 -5.456 -10.454 1.00 0.00 H new ATOM 1076 N ALA A 67 76.420 0.341 -11.294 1.00 0.00 N ATOM 1077 CA ALA A 67 76.111 1.580 -10.590 1.00 0.00 C ATOM 1078 C ALA A 67 77.324 2.503 -10.586 1.00 0.00 C ATOM 1079 O ALA A 67 77.322 3.551 -11.231 1.00 0.00 O ATOM 1080 CB ALA A 67 75.694 1.274 -9.149 1.00 0.00 C ATOM 0 H ALA A 67 75.846 0.164 -12.119 1.00 0.00 H new ATOM 0 HA ALA A 67 75.289 2.076 -11.105 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.465 2.205 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.811 0.635 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.509 0.764 -8.635 1.00 0.00 H new ATOM 1086 N GLY A 68 78.360 2.102 -9.859 1.00 0.00 N ATOM 1087 CA GLY A 68 79.580 2.899 -9.783 1.00 0.00 C ATOM 1088 C GLY A 68 80.687 2.160 -9.038 1.00 0.00 C ATOM 1089 O GLY A 68 81.639 2.778 -8.559 1.00 0.00 O ATOM 0 H GLY A 68 78.381 1.238 -9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 68 79.919 3.144 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 68 79.368 3.842 -9.279 1.00 0.00 H new ATOM 1093 N HIS A 69 80.565 0.837 -8.938 1.00 0.00 N ATOM 1094 CA HIS A 69 81.573 0.044 -8.244 1.00 0.00 C ATOM 1095 C HIS A 69 81.995 -1.153 -9.092 1.00 0.00 C ATOM 1096 O HIS A 69 81.174 -1.755 -9.784 1.00 0.00 O ATOM 1097 CB HIS A 69 81.024 -0.446 -6.902 1.00 0.00 C ATOM 1098 CG HIS A 69 80.729 0.735 -6.019 1.00 0.00 C ATOM 1099 ND1 HIS A 69 79.450 1.246 -5.870 1.00 0.00 N ATOM 1100 CD2 HIS A 69 81.540 1.520 -5.236 1.00 0.00 C ATOM 1101 CE1 HIS A 69 79.526 2.292 -5.027 1.00 0.00 C ATOM 1102 NE2 HIS A 69 80.777 2.503 -4.610 1.00 0.00 N ATOM 0 H HIS A 69 79.789 0.299 -9.324 1.00 0.00 H new ATOM 0 HA HIS A 69 82.444 0.675 -8.070 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.118 -1.031 -7.060 1.00 0.00 H new ATOM 0 HB3 HIS A 69 81.748 -1.103 -6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 69 82.607 1.394 -5.123 1.00 0.00 H new ATOM 0 HE1 HIS A 69 78.678 2.889 -4.724 1.00 0.00 H new ATOM 0 HE2 HIS A 69 81.103 3.228 -3.971 1.00 0.00 H new ATOM 1111 N LYS A 70 83.277 -1.491 -9.032 1.00 0.00 N ATOM 1112 CA LYS A 70 83.795 -2.617 -9.800 1.00 0.00 C ATOM 1113 C LYS A 70 83.776 -3.895 -8.965 1.00 0.00 C ATOM 1114 O LYS A 70 84.148 -3.885 -7.791 1.00 0.00 O ATOM 1115 CB LYS A 70 85.229 -2.323 -10.249 1.00 0.00 C ATOM 1116 CG LYS A 70 85.247 -1.070 -11.126 1.00 0.00 C ATOM 1117 CD LYS A 70 86.636 -0.900 -11.747 1.00 0.00 C ATOM 1118 CE LYS A 70 87.667 -0.660 -10.642 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.685 0.320 -11.117 1.00 0.00 N ATOM 0 H LYS A 70 83.972 -1.006 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 70 83.158 -2.759 -10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 70 85.871 -2.179 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 70 85.628 -3.172 -10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 70 84.494 -1.151 -11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 70 84.994 -0.193 -10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 70 86.901 -1.789 -12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 70 86.634 -0.062 -12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 70 87.174 -0.283 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 70 88.149 -1.599 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 89.386 0.484 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 89.162 -0.057 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 88.218 1.218 -11.356 1.00 0.00 H new ATOM 1133 N ALA A 71 83.346 -4.994 -9.579 1.00 0.00 N ATOM 1134 CA ALA A 71 83.289 -6.276 -8.885 1.00 0.00 C ATOM 1135 C ALA A 71 83.908 -7.371 -9.747 1.00 0.00 C ATOM 1136 O ALA A 71 83.760 -7.368 -10.968 1.00 0.00 O ATOM 1137 CB ALA A 71 81.836 -6.634 -8.566 1.00 0.00 C ATOM 0 H ALA A 71 83.034 -5.023 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 71 83.852 -6.194 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 71 81.803 -7.592 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.402 -5.862 -7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.266 -6.703 -9.493 1.00 0.00 H new ATOM 1143 N ILE A 72 84.603 -8.303 -9.105 1.00 0.00 N ATOM 1144 CA ILE A 72 85.244 -9.396 -9.831 1.00 0.00 C ATOM 1145 C ILE A 72 84.798 -10.751 -9.287 1.00 0.00 C ATOM 1146 O ILE A 72 84.750 -10.959 -8.075 1.00 0.00 O ATOM 1147 CB ILE A 72 86.767 -9.272 -9.726 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.426 -10.423 -10.493 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.197 -9.333 -8.258 1.00 0.00 C ATOM 1150 CD1 ILE A 72 88.944 -10.225 -10.516 1.00 0.00 C ATOM 0 H ILE A 72 84.737 -8.326 -8.094 1.00 0.00 H new ATOM 0 HA ILE A 72 84.945 -9.330 -10.877 1.00 0.00 H new ATOM 0 HB ILE A 72 87.077 -8.318 -10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.181 -11.375 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.039 -10.463 -11.511 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.281 -9.244 -8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 72 86.732 -8.515 -7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 72 86.884 -10.284 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.410 -11.045 -11.062 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.180 -9.281 -11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.324 -10.207 -9.495 1.00 0.00 H new ATOM 1162 N GLY A 73 84.470 -11.668 -10.193 1.00 0.00 N ATOM 1163 CA GLY A 73 84.031 -12.999 -9.787 1.00 0.00 C ATOM 1164 C GLY A 73 83.660 -13.855 -10.994 1.00 0.00 C ATOM 1165 O GLY A 73 83.811 -13.431 -12.140 1.00 0.00 O ATOM 0 H GLY A 73 84.499 -11.517 -11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 73 84.824 -13.489 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.172 -12.913 -9.122 1.00 0.00 H new ATOM 1169 N THR A 74 83.175 -15.065 -10.724 1.00 0.00 N ATOM 1170 CA THR A 74 82.785 -15.984 -11.790 1.00 0.00 C ATOM 1171 C THR A 74 81.500 -15.512 -12.461 1.00 0.00 C ATOM 1172 O THR A 74 80.554 -15.099 -11.791 1.00 0.00 O ATOM 1173 CB THR A 74 82.577 -17.387 -11.215 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.772 -17.817 -10.577 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.219 -18.360 -12.340 1.00 0.00 C ATOM 0 H THR A 74 83.043 -15.430 -9.781 1.00 0.00 H new ATOM 0 HA THR A 74 83.581 -16.009 -12.534 1.00 0.00 H new ATOM 0 HB THR A 74 81.764 -17.363 -10.490 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.640 -18.715 -10.207 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.072 -19.357 -11.925 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.301 -18.031 -12.828 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.028 -18.386 -13.070 1.00 0.00 H new ATOM 1183 N VAL A 75 81.473 -15.575 -13.790 1.00 0.00 N ATOM 1184 CA VAL A 75 80.296 -15.148 -14.534 1.00 0.00 C ATOM 1185 C VAL A 75 79.879 -16.202 -15.559 1.00 0.00 C ATOM 1186 O VAL A 75 80.457 -16.292 -16.646 1.00 0.00 O ATOM 1187 CB VAL A 75 80.591 -13.830 -15.252 1.00 0.00 C ATOM 1188 CG1 VAL A 75 80.994 -12.765 -14.229 1.00 0.00 C ATOM 1189 CG2 VAL A 75 81.738 -14.039 -16.245 1.00 0.00 C ATOM 0 H VAL A 75 82.244 -15.914 -14.366 1.00 0.00 H new ATOM 0 HA VAL A 75 79.478 -15.012 -13.827 1.00 0.00 H new ATOM 0 HB VAL A 75 79.699 -13.501 -15.785 1.00 0.00 H new ATOM 0 HG11 VAL A 75 81.204 -11.827 -14.743 1.00 0.00 H new ATOM 0 HG12 VAL A 75 80.180 -12.616 -13.519 1.00 0.00 H new ATOM 0 HG13 VAL A 75 81.886 -13.093 -13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 75 81.950 -13.101 -16.758 1.00 0.00 H new ATOM 0 HG22 VAL A 75 82.628 -14.369 -15.709 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.453 -14.796 -16.976 1.00 0.00 H new ATOM 1199 N LEU A 76 78.896 -17.019 -15.190 1.00 0.00 N ATOM 1200 CA LEU A 76 78.425 -18.083 -16.071 1.00 0.00 C ATOM 1201 C LEU A 76 77.834 -17.515 -17.360 1.00 0.00 C ATOM 1202 O LEU A 76 76.968 -16.641 -17.331 1.00 0.00 O ATOM 1203 CB LEU A 76 77.361 -18.919 -15.356 1.00 0.00 C ATOM 1204 CG LEU A 76 76.985 -20.123 -16.224 1.00 0.00 C ATOM 1205 CD1 LEU A 76 78.177 -21.077 -16.329 1.00 0.00 C ATOM 1206 CD2 LEU A 76 75.803 -20.861 -15.592 1.00 0.00 C ATOM 0 H LEU A 76 78.413 -16.965 -14.293 1.00 0.00 H new ATOM 0 HA LEU A 76 79.281 -18.708 -16.327 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.738 -19.257 -14.391 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.478 -18.311 -15.158 1.00 0.00 H new ATOM 0 HG LEU A 76 76.710 -19.774 -17.219 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.905 -21.932 -16.947 1.00 0.00 H new ATOM 0 HD12 LEU A 76 79.021 -20.556 -16.781 1.00 0.00 H new ATOM 0 HD13 LEU A 76 78.455 -21.423 -15.333 1.00 0.00 H new ATOM 0 HD21 LEU A 76 75.536 -21.718 -16.211 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.080 -21.205 -14.595 1.00 0.00 H new ATOM 0 HD23 LEU A 76 74.950 -20.186 -15.519 1.00 0.00 H new ATOM 1218 N VAL A 77 78.313 -18.030 -18.488 1.00 0.00 N ATOM 1219 CA VAL A 77 77.834 -17.584 -19.791 1.00 0.00 C ATOM 1220 C VAL A 77 76.965 -18.661 -20.436 1.00 0.00 C ATOM 1221 O VAL A 77 77.350 -19.831 -20.491 1.00 0.00 O ATOM 1222 CB VAL A 77 79.023 -17.270 -20.703 1.00 0.00 C ATOM 1223 CG1 VAL A 77 78.517 -16.687 -22.022 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.938 -16.256 -20.013 1.00 0.00 C ATOM 0 H VAL A 77 79.030 -18.754 -18.526 1.00 0.00 H new ATOM 0 HA VAL A 77 77.235 -16.684 -19.652 1.00 0.00 H new ATOM 0 HB VAL A 77 79.579 -18.186 -20.903 1.00 0.00 H new ATOM 0 HG11 VAL A 77 79.365 -16.464 -22.670 1.00 0.00 H new ATOM 0 HG12 VAL A 77 77.865 -17.410 -22.513 1.00 0.00 H new ATOM 0 HG13 VAL A 77 77.960 -15.771 -21.825 1.00 0.00 H new ATOM 0 HG21 VAL A 77 80.785 -16.031 -20.661 1.00 0.00 H new ATOM 0 HG22 VAL A 77 79.381 -15.341 -19.813 1.00 0.00 H new ATOM 0 HG23 VAL A 77 80.300 -16.673 -19.073 1.00 0.00 H new ATOM 1234 N GLY A 78 75.790 -18.261 -20.919 1.00 0.00 N ATOM 1235 CA GLY A 78 74.875 -19.207 -21.550 1.00 0.00 C ATOM 1236 C GLY A 78 74.352 -18.677 -22.883 1.00 0.00 C ATOM 1237 O GLY A 78 74.443 -17.483 -23.172 1.00 0.00 O ATOM 0 H GLY A 78 75.453 -17.299 -20.886 1.00 0.00 H new ATOM 0 HA2 GLY A 78 75.386 -20.157 -21.710 1.00 0.00 H new ATOM 0 HA3 GLY A 78 74.037 -19.405 -20.882 1.00 0.00 H new ATOM 1241 N PRO A 79 73.815 -19.552 -23.690 1.00 0.00 N ATOM 1242 CA PRO A 79 73.262 -19.197 -25.033 1.00 0.00 C ATOM 1243 C PRO A 79 71.994 -18.346 -24.953 1.00 0.00 C ATOM 1244 O PRO A 79 71.631 -17.669 -25.916 1.00 0.00 O ATOM 1245 CB PRO A 79 72.958 -20.555 -25.673 1.00 0.00 C ATOM 1246 CG PRO A 79 72.785 -21.501 -24.532 1.00 0.00 C ATOM 1247 CD PRO A 79 73.677 -20.988 -23.404 1.00 0.00 C ATOM 0 HA PRO A 79 73.966 -18.590 -25.603 1.00 0.00 H new ATOM 0 HB2 PRO A 79 72.057 -20.508 -26.285 1.00 0.00 H new ATOM 0 HB3 PRO A 79 73.771 -20.872 -26.327 1.00 0.00 H new ATOM 0 HG2 PRO A 79 71.743 -21.540 -24.215 1.00 0.00 H new ATOM 0 HG3 PRO A 79 73.068 -22.513 -24.821 1.00 0.00 H new ATOM 0 HD2 PRO A 79 73.225 -21.159 -22.427 1.00 0.00 H new ATOM 0 HD3 PRO A 79 74.645 -21.490 -23.400 1.00 0.00 H new ATOM 1255 N THR A 80 71.315 -18.397 -23.812 1.00 0.00 N ATOM 1256 CA THR A 80 70.079 -17.640 -23.636 1.00 0.00 C ATOM 1257 C THR A 80 70.325 -16.131 -23.784 1.00 0.00 C ATOM 1258 O THR A 80 71.323 -15.615 -23.278 1.00 0.00 O ATOM 1259 CB THR A 80 69.496 -17.924 -22.249 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.615 -16.871 -21.882 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.629 -18.023 -21.229 1.00 0.00 C ATOM 0 H THR A 80 71.595 -18.949 -23.001 1.00 0.00 H new ATOM 0 HA THR A 80 69.377 -17.952 -24.409 1.00 0.00 H new ATOM 0 HB THR A 80 68.947 -18.865 -22.271 1.00 0.00 H new ATOM 0 HG1 THR A 80 68.240 -17.052 -20.995 1.00 0.00 H new ATOM 0 HG21 THR A 80 70.213 -18.225 -20.242 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.303 -18.832 -21.511 1.00 0.00 H new ATOM 0 HG23 THR A 80 71.180 -17.083 -21.205 1.00 0.00 H new ATOM 1269 N PRO A 81 69.443 -15.410 -24.447 1.00 0.00 N ATOM 1270 CA PRO A 81 69.584 -13.934 -24.634 1.00 0.00 C ATOM 1271 C PRO A 81 69.139 -13.151 -23.399 1.00 0.00 C ATOM 1272 O PRO A 81 68.556 -12.074 -23.517 1.00 0.00 O ATOM 1273 CB PRO A 81 68.655 -13.643 -25.809 1.00 0.00 C ATOM 1274 CG PRO A 81 67.569 -14.656 -25.691 1.00 0.00 C ATOM 1275 CD PRO A 81 68.214 -15.912 -25.101 1.00 0.00 C ATOM 0 HA PRO A 81 70.619 -13.638 -24.804 1.00 0.00 H new ATOM 0 HB2 PRO A 81 68.258 -12.629 -25.759 1.00 0.00 H new ATOM 0 HB3 PRO A 81 69.179 -13.733 -26.760 1.00 0.00 H new ATOM 0 HG2 PRO A 81 66.767 -14.293 -25.049 1.00 0.00 H new ATOM 0 HG3 PRO A 81 67.127 -14.867 -26.665 1.00 0.00 H new ATOM 0 HD2 PRO A 81 67.553 -16.402 -24.386 1.00 0.00 H new ATOM 0 HD3 PRO A 81 68.444 -16.644 -25.875 1.00 0.00 H new ATOM 1283 N VAL A 82 69.395 -13.707 -22.218 1.00 0.00 N ATOM 1284 CA VAL A 82 68.987 -13.054 -20.977 1.00 0.00 C ATOM 1285 C VAL A 82 70.160 -12.859 -20.018 1.00 0.00 C ATOM 1286 O VAL A 82 71.149 -13.597 -20.054 1.00 0.00 O ATOM 1287 CB VAL A 82 67.905 -13.885 -20.288 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.416 -13.151 -19.038 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.732 -14.090 -21.249 1.00 0.00 C ATOM 0 H VAL A 82 69.877 -14.597 -22.094 1.00 0.00 H new ATOM 0 HA VAL A 82 68.600 -12.069 -21.238 1.00 0.00 H new ATOM 0 HB VAL A 82 68.317 -14.853 -20.003 1.00 0.00 H new ATOM 0 HG11 VAL A 82 66.644 -13.744 -18.547 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.251 -13.003 -18.353 1.00 0.00 H new ATOM 0 HG13 VAL A 82 67.004 -12.183 -19.322 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.959 -14.683 -20.759 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.321 -13.121 -21.533 1.00 0.00 H new ATOM 0 HG23 VAL A 82 67.079 -14.612 -22.141 1.00 0.00 H new ATOM 1299 N ASN A 83 70.027 -11.856 -19.152 1.00 0.00 N ATOM 1300 CA ASN A 83 71.055 -11.559 -18.159 1.00 0.00 C ATOM 1301 C ASN A 83 70.421 -11.430 -16.777 1.00 0.00 C ATOM 1302 O ASN A 83 69.574 -10.564 -16.553 1.00 0.00 O ATOM 1303 CB ASN A 83 71.790 -10.263 -18.513 1.00 0.00 C ATOM 1304 CG ASN A 83 72.470 -10.413 -19.866 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.659 -11.532 -20.343 1.00 0.00 O ATOM 1306 ND2 ASN A 83 72.851 -9.349 -20.518 1.00 0.00 N ATOM 0 H ASN A 83 69.218 -11.236 -19.119 1.00 0.00 H new ATOM 0 HA ASN A 83 71.775 -12.377 -18.153 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.087 -9.430 -18.539 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.530 -10.032 -17.747 1.00 0.00 H new ATOM 0 HD21 ASN A 83 73.307 -9.443 -21.426 1.00 0.00 H new ATOM 0 HD22 ASN A 83 72.693 -8.423 -20.120 1.00 0.00 H new ATOM 1313 N ILE A 84 70.832 -12.293 -15.854 1.00 0.00 N ATOM 1314 CA ILE A 84 70.289 -12.259 -14.499 1.00 0.00 C ATOM 1315 C ILE A 84 71.414 -12.241 -13.469 1.00 0.00 C ATOM 1316 O ILE A 84 72.437 -12.903 -13.641 1.00 0.00 O ATOM 1317 CB ILE A 84 69.389 -13.474 -14.264 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.768 -13.384 -12.868 1.00 0.00 C ATOM 1319 CG2 ILE A 84 70.214 -14.757 -14.373 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.565 -14.323 -12.781 1.00 0.00 C ATOM 0 H ILE A 84 71.532 -13.018 -16.015 1.00 0.00 H new ATOM 0 HA ILE A 84 69.700 -11.349 -14.387 1.00 0.00 H new ATOM 0 HB ILE A 84 68.600 -13.489 -15.015 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.507 -13.652 -12.112 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.458 -12.359 -12.662 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.569 -15.620 -14.205 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.656 -14.822 -15.367 1.00 0.00 H new ATOM 0 HG23 ILE A 84 71.006 -14.745 -13.624 1.00 0.00 H new ATOM 0 HD11 ILE A 84 67.124 -14.258 -11.786 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.824 -14.035 -13.526 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.888 -15.347 -12.968 1.00 0.00 H new ATOM 1332 N ILE A 85 71.217 -11.476 -12.398 1.00 0.00 N ATOM 1333 CA ILE A 85 72.224 -11.379 -11.348 1.00 0.00 C ATOM 1334 C ILE A 85 71.718 -12.023 -10.060 1.00 0.00 C ATOM 1335 O ILE A 85 70.607 -11.741 -9.605 1.00 0.00 O ATOM 1336 CB ILE A 85 72.562 -9.909 -11.090 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.988 -9.249 -12.403 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.709 -9.817 -10.084 1.00 0.00 C ATOM 1339 CD1 ILE A 85 73.218 -7.754 -12.173 1.00 0.00 C ATOM 0 H ILE A 85 70.377 -10.920 -12.236 1.00 0.00 H new ATOM 0 HA ILE A 85 73.120 -11.907 -11.675 1.00 0.00 H new ATOM 0 HB ILE A 85 71.685 -9.400 -10.690 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.900 -9.715 -12.777 1.00 0.00 H new ATOM 0 HG13 ILE A 85 72.220 -9.397 -13.162 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.949 -8.770 -9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 85 73.411 -10.290 -9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 85 74.586 -10.326 -10.485 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.521 -7.284 -13.109 1.00 0.00 H new ATOM 0 HD12 ILE A 85 72.295 -7.294 -11.819 1.00 0.00 H new ATOM 0 HD13 ILE A 85 74.001 -7.617 -11.427 1.00 0.00 H new ATOM 1351 N GLY A 86 72.540 -12.896 -9.480 1.00 0.00 N ATOM 1352 CA GLY A 86 72.167 -13.584 -8.249 1.00 0.00 C ATOM 1353 C GLY A 86 72.665 -12.838 -7.014 1.00 0.00 C ATOM 1354 O GLY A 86 73.312 -11.791 -7.117 1.00 0.00 O ATOM 0 H GLY A 86 73.462 -13.141 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 86 71.083 -13.684 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.580 -14.593 -8.256 1.00 0.00 H new ATOM 1358 N ARG A 87 72.357 -13.387 -5.842 1.00 0.00 N ATOM 1359 CA ARG A 87 72.768 -12.777 -4.585 1.00 0.00 C ATOM 1360 C ARG A 87 74.287 -12.745 -4.459 1.00 0.00 C ATOM 1361 O ARG A 87 74.836 -11.957 -3.688 1.00 0.00 O ATOM 1362 CB ARG A 87 72.178 -13.558 -3.409 1.00 0.00 C ATOM 1363 CG ARG A 87 72.835 -14.939 -3.329 1.00 0.00 C ATOM 1364 CD ARG A 87 72.046 -15.818 -2.357 1.00 0.00 C ATOM 1365 NE ARG A 87 72.947 -16.539 -1.455 1.00 0.00 N ATOM 1366 CZ ARG A 87 74.070 -17.113 -1.883 1.00 0.00 C ATOM 1367 NH1 ARG A 87 74.368 -17.120 -3.153 1.00 0.00 N ATOM 1368 NH2 ARG A 87 74.866 -17.694 -1.026 1.00 0.00 N ATOM 0 H ARG A 87 71.825 -14.251 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 87 72.397 -11.752 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.340 -13.013 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 87 71.100 -13.663 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.860 -15.400 -4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.868 -14.844 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 87 71.361 -15.200 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.438 -16.530 -2.916 1.00 0.00 H new ATOM 0 HE ARG A 87 72.706 -16.604 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 87 73.739 -16.684 -3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 87 75.230 -17.562 -3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 87 74.626 -17.707 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 87 75.727 -18.135 -1.348 1.00 0.00 H new ATOM 1382 N ASN A 88 74.964 -13.606 -5.212 1.00 0.00 N ATOM 1383 CA ASN A 88 76.421 -13.661 -5.159 1.00 0.00 C ATOM 1384 C ASN A 88 77.018 -12.288 -5.453 1.00 0.00 C ATOM 1385 O ASN A 88 77.922 -11.833 -4.752 1.00 0.00 O ATOM 1386 CB ASN A 88 76.941 -14.672 -6.182 1.00 0.00 C ATOM 1387 CG ASN A 88 78.426 -14.933 -5.949 1.00 0.00 C ATOM 1388 OD1 ASN A 88 78.892 -14.898 -4.810 1.00 0.00 O ATOM 1389 ND2 ASN A 88 79.199 -15.192 -6.968 1.00 0.00 N ATOM 0 H ASN A 88 74.534 -14.268 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 88 76.719 -13.970 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 88 76.382 -15.604 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.784 -14.293 -7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 88 80.193 -15.366 -6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 88 78.809 -15.220 -7.910 1.00 0.00 H new ATOM 1396 N LEU A 89 76.503 -11.632 -6.487 1.00 0.00 N ATOM 1397 CA LEU A 89 76.991 -10.308 -6.855 1.00 0.00 C ATOM 1398 C LEU A 89 76.396 -9.234 -5.951 1.00 0.00 C ATOM 1399 O LEU A 89 77.099 -8.324 -5.514 1.00 0.00 O ATOM 1400 CB LEU A 89 76.643 -10.005 -8.312 1.00 0.00 C ATOM 1401 CG LEU A 89 77.770 -10.499 -9.222 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.952 -12.006 -9.048 1.00 0.00 C ATOM 1403 CD2 LEU A 89 77.415 -10.194 -10.680 1.00 0.00 C ATOM 0 H LEU A 89 75.755 -11.991 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 89 78.074 -10.302 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.705 -10.491 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 89 76.497 -8.933 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 89 78.697 -9.992 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.755 -12.353 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 89 78.205 -12.225 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 89 77.026 -12.517 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 89 78.216 -10.545 -11.331 1.00 0.00 H new ATOM 0 HD22 LEU A 89 76.486 -10.701 -10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 89 77.289 -9.119 -10.807 1.00 0.00 H new ATOM 1415 N LEU A 90 75.097 -9.338 -5.675 1.00 0.00 N ATOM 1416 CA LEU A 90 74.444 -8.351 -4.822 1.00 0.00 C ATOM 1417 C LEU A 90 75.080 -8.341 -3.437 1.00 0.00 C ATOM 1418 O LEU A 90 75.295 -7.280 -2.851 1.00 0.00 O ATOM 1419 CB LEU A 90 72.952 -8.664 -4.698 1.00 0.00 C ATOM 1420 CG LEU A 90 72.334 -8.769 -6.092 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.827 -9.007 -5.966 1.00 0.00 C ATOM 1422 CD2 LEU A 90 72.580 -7.469 -6.860 1.00 0.00 C ATOM 0 H LEU A 90 74.488 -10.079 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 90 74.568 -7.368 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.810 -9.598 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.452 -7.883 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 90 72.791 -9.601 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 90 70.386 -9.082 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.649 -9.933 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.371 -8.176 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 90 72.139 -7.545 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 90 72.124 -6.637 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 90 73.653 -7.298 -6.951 1.00 0.00 H new ATOM 1434 N THR A 91 75.383 -9.529 -2.919 1.00 0.00 N ATOM 1435 CA THR A 91 76.000 -9.639 -1.603 1.00 0.00 C ATOM 1436 C THR A 91 77.349 -8.931 -1.589 1.00 0.00 C ATOM 1437 O THR A 91 77.710 -8.279 -0.609 1.00 0.00 O ATOM 1438 CB THR A 91 76.190 -11.114 -1.237 1.00 0.00 C ATOM 1439 OG1 THR A 91 74.943 -11.789 -1.340 1.00 0.00 O ATOM 1440 CG2 THR A 91 76.715 -11.222 0.194 1.00 0.00 C ATOM 0 H THR A 91 75.213 -10.420 -3.386 1.00 0.00 H new ATOM 0 HA THR A 91 75.345 -9.166 -0.871 1.00 0.00 H new ATOM 0 HB THR A 91 76.908 -11.570 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 91 74.836 -12.141 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 91 76.850 -12.272 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 91 77.671 -10.703 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 91 75.999 -10.768 0.879 1.00 0.00 H new ATOM 1448 N GLN A 92 78.088 -9.061 -2.686 1.00 0.00 N ATOM 1449 CA GLN A 92 79.394 -8.425 -2.792 1.00 0.00 C ATOM 1450 C GLN A 92 79.273 -7.098 -3.540 1.00 0.00 C ATOM 1451 O GLN A 92 78.873 -7.070 -4.704 1.00 0.00 O ATOM 1452 CB GLN A 92 80.362 -9.348 -3.535 1.00 0.00 C ATOM 1453 CG GLN A 92 81.765 -8.741 -3.518 1.00 0.00 C ATOM 1454 CD GLN A 92 82.750 -9.679 -4.209 1.00 0.00 C ATOM 1455 OE1 GLN A 92 82.388 -10.799 -4.575 1.00 0.00 O ATOM 1456 NE2 GLN A 92 83.979 -9.291 -4.407 1.00 0.00 N ATOM 0 H GLN A 92 77.807 -9.597 -3.507 1.00 0.00 H new ATOM 0 HA GLN A 92 79.776 -8.234 -1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 92 80.375 -10.332 -3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 92 80.029 -9.490 -4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.758 -7.774 -4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 92 82.080 -8.563 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 92 84.276 -8.364 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 92 84.643 -9.915 -4.866 1.00 0.00 H new ATOM 1465 N ILE A 93 79.616 -6.002 -2.868 1.00 0.00 N ATOM 1466 CA ILE A 93 79.533 -4.684 -3.487 1.00 0.00 C ATOM 1467 C ILE A 93 80.181 -3.635 -2.591 1.00 0.00 C ATOM 1468 O ILE A 93 80.608 -2.580 -3.060 1.00 0.00 O ATOM 1469 CB ILE A 93 78.068 -4.315 -3.729 1.00 0.00 C ATOM 1470 CG1 ILE A 93 77.990 -3.103 -4.661 1.00 0.00 C ATOM 1471 CG2 ILE A 93 77.406 -3.972 -2.393 1.00 0.00 C ATOM 1472 CD1 ILE A 93 78.520 -3.481 -6.046 1.00 0.00 C ATOM 0 H ILE A 93 79.951 -6.000 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 93 80.063 -4.713 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 93 77.552 -5.158 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 93 76.959 -2.757 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 93 78.573 -2.279 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 93 76.362 -3.708 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 93 77.460 -4.834 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 93 77.924 -3.129 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 93 78.463 -2.616 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 93 79.557 -3.806 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 93 77.918 -4.291 -6.457 1.00 0.00 H new ATOM 1484 N GLY A 94 80.251 -3.934 -1.297 1.00 0.00 N ATOM 1485 CA GLY A 94 80.850 -3.009 -0.343 1.00 0.00 C ATOM 1486 C GLY A 94 82.265 -2.637 -0.766 1.00 0.00 C ATOM 1487 O GLY A 94 82.717 -1.515 -0.536 1.00 0.00 O ATOM 0 H GLY A 94 79.904 -4.802 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 94 80.239 -2.109 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 94 80.869 -3.463 0.648 1.00 0.00 H new ATOM 1491 N ALA A 95 82.959 -3.586 -1.386 1.00 0.00 N ATOM 1492 CA ALA A 95 84.325 -3.346 -1.838 1.00 0.00 C ATOM 1493 C ALA A 95 85.311 -3.552 -0.692 1.00 0.00 C ATOM 1494 O ALA A 95 86.502 -3.555 -0.956 1.00 0.00 O ATOM 1495 CB ALA A 95 84.453 -1.919 -2.373 1.00 0.00 C ATOM 1496 OXT ALA A 95 84.860 -3.705 0.431 1.00 0.00 O ATOM 0 H ALA A 95 82.602 -4.520 -1.586 1.00 0.00 H new ATOM 0 HA ALA A 95 84.556 -4.055 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 95 85.476 -1.747 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 95 83.768 -1.781 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 95 84.207 -1.210 -1.582 1.00 0.00 H new TER 1502 ALA A 95