USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 779 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ -153:sc= -0.511 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= -1.49 K(o=-2,f=1.2) USER MOD Single : A 2 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.36) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.2) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -1.61 (180deg=-2.44) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -170:sc= -0.112 USER MOD Single : A 36 MET CE :methyl 151:sc= -0.252 (180deg=-1.55!) USER MOD Single : A 37 SER OG : rot -5:sc= 0.211 USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -6.29! (180deg=-9.7!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.161 (180deg=0.0785) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 69 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.47) 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= -3.77! C(o=-3.8!,f=-18!) USER MOD Single : A 88 ASN : amide:sc= -0.68 X(o=-0.68,f=-0.25) USER MOD Single : A 91 THR OG1 : rot -83:sc= 0.219 USER MOD Single : A 92 GLN : amide:sc= -1.95 K(o=-2,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 50.964 1.179 -12.761 1.00 0.00 N ATOM 2 CA PRO A 1 51.871 1.673 -13.826 1.00 0.00 C ATOM 3 C PRO A 1 51.313 2.965 -14.412 1.00 0.00 C ATOM 4 O PRO A 1 51.782 4.055 -14.090 1.00 0.00 O ATOM 5 CB PRO A 1 51.965 0.603 -14.908 1.00 0.00 C ATOM 6 CG PRO A 1 50.871 -0.367 -14.590 1.00 0.00 C ATOM 7 CD PRO A 1 50.533 -0.206 -13.100 1.00 0.00 C ATOM 0 H2 PRO A 1 50.152 1.791 -12.677 1.00 0.00 H new ATOM 0 H3 PRO A 1 51.440 1.190 -11.859 1.00 0.00 H new ATOM 0 HA PRO A 1 52.862 1.876 -13.419 1.00 0.00 H new ATOM 0 HB2 PRO A 1 51.835 1.033 -15.901 1.00 0.00 H new ATOM 0 HB3 PRO A 1 52.940 0.116 -14.897 1.00 0.00 H new ATOM 0 HG2 PRO A 1 49.993 -0.171 -15.206 1.00 0.00 H new ATOM 0 HG3 PRO A 1 51.189 -1.388 -14.803 1.00 0.00 H new ATOM 0 HD2 PRO A 1 49.467 -0.344 -12.919 1.00 0.00 H new ATOM 0 HD3 PRO A 1 51.058 -0.944 -12.493 1.00 0.00 H new ATOM 17 N GLN A 2 50.311 2.834 -15.275 1.00 0.00 N ATOM 18 CA GLN A 2 49.700 4.002 -15.899 1.00 0.00 C ATOM 19 C GLN A 2 49.116 4.929 -14.836 1.00 0.00 C ATOM 20 O GLN A 2 49.178 6.152 -14.961 1.00 0.00 O ATOM 21 CB GLN A 2 48.589 3.562 -16.854 1.00 0.00 C ATOM 22 CG GLN A 2 49.170 2.650 -17.938 1.00 0.00 C ATOM 23 CD GLN A 2 50.252 3.385 -18.720 1.00 0.00 C ATOM 24 OE1 GLN A 2 50.038 4.511 -19.170 1.00 0.00 O ATOM 25 NE2 GLN A 2 51.407 2.811 -18.912 1.00 0.00 N ATOM 0 H GLN A 2 49.908 1.940 -15.556 1.00 0.00 H new ATOM 0 HA GLN A 2 50.469 4.538 -16.456 1.00 0.00 H new ATOM 0 HB2 GLN A 2 47.810 3.036 -16.303 1.00 0.00 H new ATOM 0 HB3 GLN A 2 48.123 4.435 -17.311 1.00 0.00 H new ATOM 0 HG2 GLN A 2 49.587 1.752 -17.483 1.00 0.00 H new ATOM 0 HG3 GLN A 2 48.379 2.327 -18.614 1.00 0.00 H new ATOM 0 HE21 GLN A 2 51.581 1.878 -18.538 1.00 0.00 H new ATOM 0 HE22 GLN A 2 52.136 3.295 -19.436 1.00 0.00 H new ATOM 34 N ILE A 3 48.545 4.334 -13.794 1.00 0.00 N ATOM 35 CA ILE A 3 47.945 5.107 -12.713 1.00 0.00 C ATOM 36 C ILE A 3 48.999 5.919 -11.965 1.00 0.00 C ATOM 37 O ILE A 3 48.714 7.005 -11.462 1.00 0.00 O ATOM 38 CB ILE A 3 47.235 4.169 -11.735 1.00 0.00 C ATOM 39 CG1 ILE A 3 46.135 3.402 -12.474 1.00 0.00 C ATOM 40 CG2 ILE A 3 46.612 4.991 -10.604 1.00 0.00 C ATOM 41 CD1 ILE A 3 45.553 2.328 -11.554 1.00 0.00 C ATOM 0 H ILE A 3 48.485 3.323 -13.675 1.00 0.00 H new ATOM 0 HA ILE A 3 47.224 5.798 -13.151 1.00 0.00 H new ATOM 0 HB ILE A 3 47.954 3.463 -11.319 1.00 0.00 H new ATOM 0 HG12 ILE A 3 45.350 4.088 -12.792 1.00 0.00 H new ATOM 0 HG13 ILE A 3 46.541 2.942 -13.375 1.00 0.00 H new ATOM 0 HG21 ILE A 3 46.106 4.324 -9.906 1.00 0.00 H new ATOM 0 HG22 ILE A 3 47.394 5.539 -10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 3 45.892 5.695 -11.020 1.00 0.00 H new ATOM 0 HD11 ILE A 3 44.770 1.783 -12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 3 46.341 1.636 -11.259 1.00 0.00 H new ATOM 0 HD13 ILE A 3 45.132 2.799 -10.666 1.00 0.00 H new ATOM 53 N THR A 4 50.213 5.382 -11.883 1.00 0.00 N ATOM 54 CA THR A 4 51.291 6.068 -11.178 1.00 0.00 C ATOM 55 C THR A 4 52.331 6.605 -12.159 1.00 0.00 C ATOM 56 O THR A 4 52.696 5.935 -13.124 1.00 0.00 O ATOM 57 CB THR A 4 51.965 5.107 -10.197 1.00 0.00 C ATOM 58 OG1 THR A 4 50.980 4.529 -9.352 1.00 0.00 O ATOM 59 CG2 THR A 4 52.983 5.869 -9.350 1.00 0.00 C ATOM 0 H THR A 4 50.473 4.484 -12.291 1.00 0.00 H new ATOM 0 HA THR A 4 50.860 6.908 -10.633 1.00 0.00 H new ATOM 0 HB THR A 4 52.476 4.320 -10.752 1.00 0.00 H new ATOM 0 HG1 THR A 4 51.409 3.912 -8.724 1.00 0.00 H new ATOM 0 HG21 THR A 4 53.462 5.183 -8.652 1.00 0.00 H new ATOM 0 HG22 THR A 4 53.738 6.312 -10.000 1.00 0.00 H new ATOM 0 HG23 THR A 4 52.476 6.657 -8.794 1.00 0.00 H new ATOM 67 N LEU A 5 52.803 7.821 -11.899 1.00 0.00 N ATOM 68 CA LEU A 5 53.802 8.445 -12.759 1.00 0.00 C ATOM 69 C LEU A 5 55.206 8.221 -12.209 1.00 0.00 C ATOM 70 O LEU A 5 56.188 8.693 -12.783 1.00 0.00 O ATOM 71 CB LEU A 5 53.533 9.947 -12.864 1.00 0.00 C ATOM 72 CG LEU A 5 53.588 10.573 -11.470 1.00 0.00 C ATOM 73 CD1 LEU A 5 54.820 11.474 -11.361 1.00 0.00 C ATOM 74 CD2 LEU A 5 52.327 11.408 -11.237 1.00 0.00 C ATOM 0 H LEU A 5 52.512 8.390 -11.105 1.00 0.00 H new ATOM 0 HA LEU A 5 53.735 7.989 -13.747 1.00 0.00 H new ATOM 0 HB2 LEU A 5 54.272 10.415 -13.514 1.00 0.00 H new ATOM 0 HB3 LEU A 5 52.556 10.122 -13.315 1.00 0.00 H new ATOM 0 HG LEU A 5 53.648 9.784 -10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 5 54.858 11.920 -10.367 1.00 0.00 H new ATOM 0 HD12 LEU A 5 55.720 10.882 -11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 5 54.761 12.263 -12.110 1.00 0.00 H new ATOM 0 HD21 LEU A 5 52.365 11.855 -10.244 1.00 0.00 H new ATOM 0 HD22 LEU A 5 52.269 12.196 -11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 5 51.448 10.768 -11.314 1.00 0.00 H new ATOM 86 N TRP A 6 55.299 7.503 -11.094 1.00 0.00 N ATOM 87 CA TRP A 6 56.595 7.235 -10.481 1.00 0.00 C ATOM 88 C TRP A 6 57.054 5.812 -10.778 1.00 0.00 C ATOM 89 O TRP A 6 56.293 4.856 -10.629 1.00 0.00 O ATOM 90 CB TRP A 6 56.510 7.440 -8.967 1.00 0.00 C ATOM 91 CG TRP A 6 56.452 8.903 -8.663 1.00 0.00 C ATOM 92 CD1 TRP A 6 55.317 9.615 -8.476 1.00 0.00 C ATOM 93 CD2 TRP A 6 57.555 9.841 -8.503 1.00 0.00 C ATOM 94 NE1 TRP A 6 55.654 10.931 -8.214 1.00 0.00 N ATOM 95 CE2 TRP A 6 57.022 11.120 -8.219 1.00 0.00 C ATOM 96 CE3 TRP A 6 58.954 9.707 -8.577 1.00 0.00 C ATOM 97 CZ2 TRP A 6 57.846 12.228 -8.015 1.00 0.00 C ATOM 98 CZ3 TRP A 6 59.786 10.819 -8.372 1.00 0.00 C ATOM 99 CH2 TRP A 6 59.233 12.076 -8.092 1.00 0.00 C ATOM 0 H TRP A 6 54.502 7.100 -10.601 1.00 0.00 H new ATOM 0 HA TRP A 6 57.321 7.930 -10.903 1.00 0.00 H new ATOM 0 HB2 TRP A 6 55.626 6.940 -8.571 1.00 0.00 H new ATOM 0 HB3 TRP A 6 57.375 6.991 -8.480 1.00 0.00 H new ATOM 0 HD1 TRP A 6 54.313 9.221 -8.523 1.00 0.00 H new ATOM 0 HE1 TRP A 6 54.975 11.671 -8.039 1.00 0.00 H new ATOM 0 HE3 TRP A 6 59.390 8.743 -8.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 57.415 13.195 -7.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 60.858 10.705 -8.430 1.00 0.00 H new ATOM 0 HH2 TRP A 6 59.879 12.927 -7.936 1.00 0.00 H new ATOM 110 N LYS A 7 58.310 5.684 -11.195 1.00 0.00 N ATOM 111 CA LYS A 7 58.877 4.379 -11.508 1.00 0.00 C ATOM 112 C LYS A 7 60.322 4.311 -11.024 1.00 0.00 C ATOM 113 O LYS A 7 61.105 5.233 -11.254 1.00 0.00 O ATOM 114 CB LYS A 7 58.823 4.137 -13.023 1.00 0.00 C ATOM 115 CG LYS A 7 59.337 2.730 -13.361 1.00 0.00 C ATOM 116 CD LYS A 7 58.252 1.690 -13.063 1.00 0.00 C ATOM 117 CE LYS A 7 58.679 0.335 -13.631 1.00 0.00 C ATOM 118 NZ LYS A 7 57.651 -0.690 -13.296 1.00 0.00 N ATOM 0 H LYS A 7 58.952 6.466 -11.323 1.00 0.00 H new ATOM 0 HA LYS A 7 58.296 3.608 -11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 7 57.799 4.252 -13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 7 59.426 4.885 -13.538 1.00 0.00 H new ATOM 0 HG2 LYS A 7 59.621 2.680 -14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 7 60.232 2.511 -12.778 1.00 0.00 H new ATOM 0 HD2 LYS A 7 58.093 1.612 -11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 7 57.305 2.000 -13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 7 58.801 0.404 -14.712 1.00 0.00 H new ATOM 0 HE3 LYS A 7 59.646 0.044 -13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 57.941 -1.611 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 57.556 -0.762 -12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 56.738 -0.413 -13.709 1.00 0.00 H new ATOM 132 N ARG A 8 60.673 3.219 -10.354 1.00 0.00 N ATOM 133 CA ARG A 8 62.032 3.060 -9.850 1.00 0.00 C ATOM 134 C ARG A 8 63.025 3.031 -11.012 1.00 0.00 C ATOM 135 O ARG A 8 62.696 2.564 -12.103 1.00 0.00 O ATOM 136 CB ARG A 8 62.146 1.762 -9.048 1.00 0.00 C ATOM 137 CG ARG A 8 61.817 2.032 -7.578 1.00 0.00 C ATOM 138 CD ARG A 8 62.051 0.761 -6.760 1.00 0.00 C ATOM 139 NE ARG A 8 63.418 0.732 -6.254 1.00 0.00 N ATOM 140 CZ ARG A 8 63.771 -0.094 -5.274 1.00 0.00 C ATOM 141 NH1 ARG A 8 62.885 -0.884 -4.734 1.00 0.00 N ATOM 142 NH2 ARG A 8 65.005 -0.110 -4.849 1.00 0.00 N ATOM 0 H ARG A 8 60.046 2.441 -10.149 1.00 0.00 H new ATOM 0 HA ARG A 8 62.264 3.905 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 8 61.464 1.013 -9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 8 63.154 1.356 -9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 8 62.440 2.842 -7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 8 60.780 2.355 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 8 61.347 0.720 -5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 8 61.866 -0.117 -7.378 1.00 0.00 H new ATOM 0 HE ARG A 8 64.116 1.356 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 8 61.920 -0.869 -5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 8 63.157 -1.517 -3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 8 65.697 0.511 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 8 65.277 -0.743 -4.097 1.00 0.00 H new ATOM 156 N PRO A 9 64.223 3.517 -10.804 1.00 0.00 N ATOM 157 CA PRO A 9 65.273 3.542 -11.866 1.00 0.00 C ATOM 158 C PRO A 9 65.720 2.139 -12.270 1.00 0.00 C ATOM 159 O PRO A 9 65.770 1.230 -11.440 1.00 0.00 O ATOM 160 CB PRO A 9 66.428 4.323 -11.234 1.00 0.00 C ATOM 161 CG PRO A 9 66.216 4.234 -9.758 1.00 0.00 C ATOM 162 CD PRO A 9 64.711 4.092 -9.541 1.00 0.00 C ATOM 0 HA PRO A 9 64.905 3.997 -12.785 1.00 0.00 H new ATOM 0 HB2 PRO A 9 67.390 3.897 -11.518 1.00 0.00 H new ATOM 0 HB3 PRO A 9 66.428 5.361 -11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 9 66.750 3.380 -9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 9 66.597 5.124 -9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 9 64.489 3.442 -8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 9 64.245 5.055 -9.334 1.00 0.00 H new ATOM 170 N LEU A 10 66.052 1.974 -13.546 1.00 0.00 N ATOM 171 CA LEU A 10 66.503 0.682 -14.049 1.00 0.00 C ATOM 172 C LEU A 10 68.010 0.543 -13.858 1.00 0.00 C ATOM 173 O LEU A 10 68.740 1.535 -13.881 1.00 0.00 O ATOM 174 CB LEU A 10 66.150 0.545 -15.533 1.00 0.00 C ATOM 175 CG LEU A 10 64.651 0.793 -15.727 1.00 0.00 C ATOM 176 CD1 LEU A 10 64.278 0.554 -17.192 1.00 0.00 C ATOM 177 CD2 LEU A 10 63.854 -0.166 -14.838 1.00 0.00 C ATOM 0 H LEU A 10 66.018 2.714 -14.247 1.00 0.00 H new ATOM 0 HA LEU A 10 66.001 -0.108 -13.490 1.00 0.00 H new ATOM 0 HB2 LEU A 10 66.727 1.258 -16.122 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.414 -0.450 -15.890 1.00 0.00 H new ATOM 0 HG LEU A 10 64.417 1.822 -15.454 1.00 0.00 H new ATOM 0 HD11 LEU A 10 63.211 0.731 -17.329 1.00 0.00 H new ATOM 0 HD12 LEU A 10 64.843 1.236 -17.827 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.513 -0.475 -17.464 1.00 0.00 H new ATOM 0 HD21 LEU A 10 62.787 0.011 -14.976 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.089 -1.195 -15.110 1.00 0.00 H new ATOM 0 HD23 LEU A 10 64.117 0.002 -13.794 1.00 0.00 H new ATOM 189 N VAL A 11 68.472 -0.687 -13.654 1.00 0.00 N ATOM 190 CA VAL A 11 69.896 -0.926 -13.443 1.00 0.00 C ATOM 191 C VAL A 11 70.544 -1.537 -14.681 1.00 0.00 C ATOM 192 O VAL A 11 70.020 -2.481 -15.270 1.00 0.00 O ATOM 193 CB VAL A 11 70.092 -1.872 -12.256 1.00 0.00 C ATOM 194 CG1 VAL A 11 69.065 -1.550 -11.170 1.00 0.00 C ATOM 195 CG2 VAL A 11 69.903 -3.317 -12.721 1.00 0.00 C ATOM 0 H VAL A 11 67.890 -1.524 -13.630 1.00 0.00 H new ATOM 0 HA VAL A 11 70.371 0.034 -13.240 1.00 0.00 H new ATOM 0 HB VAL A 11 71.097 -1.746 -11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 11 69.205 -2.224 -10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 11 69.197 -0.520 -10.838 1.00 0.00 H new ATOM 0 HG13 VAL A 11 68.059 -1.676 -11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 11 70.042 -3.992 -11.877 1.00 0.00 H new ATOM 0 HG22 VAL A 11 68.897 -3.441 -13.123 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.634 -3.549 -13.495 1.00 0.00 H new ATOM 205 N THR A 12 71.700 -0.997 -15.055 1.00 0.00 N ATOM 206 CA THR A 12 72.433 -1.498 -16.211 1.00 0.00 C ATOM 207 C THR A 12 73.867 -1.826 -15.811 1.00 0.00 C ATOM 208 O THR A 12 74.368 -1.316 -14.809 1.00 0.00 O ATOM 209 CB THR A 12 72.437 -0.454 -17.331 1.00 0.00 C ATOM 210 OG1 THR A 12 73.317 0.607 -16.983 1.00 0.00 O ATOM 211 CG2 THR A 12 71.022 0.097 -17.522 1.00 0.00 C ATOM 0 H THR A 12 72.147 -0.215 -14.576 1.00 0.00 H new ATOM 0 HA THR A 12 71.942 -2.402 -16.572 1.00 0.00 H new ATOM 0 HB THR A 12 72.773 -0.917 -18.259 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.323 1.276 -17.699 1.00 0.00 H new ATOM 0 HG21 THR A 12 71.025 0.840 -18.319 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.347 -0.717 -17.787 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.684 0.561 -16.595 1.00 0.00 H new ATOM 219 N ILE A 13 74.521 -2.681 -16.588 1.00 0.00 N ATOM 220 CA ILE A 13 75.896 -3.064 -16.286 1.00 0.00 C ATOM 221 C ILE A 13 76.821 -2.737 -17.453 1.00 0.00 C ATOM 222 O ILE A 13 76.379 -2.620 -18.597 1.00 0.00 O ATOM 223 CB ILE A 13 75.964 -4.561 -15.971 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.596 -5.373 -17.218 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.982 -4.890 -14.845 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.701 -6.866 -16.901 1.00 0.00 C ATOM 0 H ILE A 13 74.128 -3.118 -17.422 1.00 0.00 H new ATOM 0 HA ILE A 13 76.226 -2.496 -15.416 1.00 0.00 H new ATOM 0 HB ILE A 13 76.978 -4.816 -15.661 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.583 -5.128 -17.539 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.262 -5.117 -18.042 1.00 0.00 H new ATOM 0 HG21 ILE A 13 75.030 -5.956 -14.620 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.245 -4.319 -13.954 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.970 -4.630 -15.157 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.440 -7.445 -17.787 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.722 -7.103 -16.600 1.00 0.00 H new ATOM 0 HD13 ILE A 13 75.017 -7.115 -16.090 1.00 0.00 H new ATOM 238 N LYS A 14 78.109 -2.600 -17.156 1.00 0.00 N ATOM 239 CA LYS A 14 79.089 -2.297 -18.190 1.00 0.00 C ATOM 240 C LYS A 14 80.253 -3.280 -18.123 1.00 0.00 C ATOM 241 O LYS A 14 80.868 -3.456 -17.069 1.00 0.00 O ATOM 242 CB LYS A 14 79.609 -0.867 -18.016 1.00 0.00 C ATOM 243 CG LYS A 14 78.449 0.118 -18.161 1.00 0.00 C ATOM 244 CD LYS A 14 78.957 1.543 -17.941 1.00 0.00 C ATOM 245 CE LYS A 14 79.974 1.896 -19.029 1.00 0.00 C ATOM 246 NZ LYS A 14 79.969 3.369 -19.252 1.00 0.00 N ATOM 0 H LYS A 14 78.495 -2.693 -16.216 1.00 0.00 H new ATOM 0 HA LYS A 14 78.607 -2.388 -19.163 1.00 0.00 H new ATOM 0 HB2 LYS A 14 80.075 -0.755 -17.037 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.376 -0.654 -18.761 1.00 0.00 H new ATOM 0 HG2 LYS A 14 78.004 0.028 -19.152 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.667 -0.116 -17.438 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.124 2.245 -17.965 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.417 1.629 -16.957 1.00 0.00 H new ATOM 0 HE2 LYS A 14 80.969 1.565 -18.733 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.728 1.376 -19.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 80.660 3.611 -19.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 79.020 3.671 -19.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 80.224 3.855 -18.368 1.00 0.00 H new ATOM 260 N ILE A 15 80.550 -3.918 -19.251 1.00 0.00 N ATOM 261 CA ILE A 15 81.646 -4.879 -19.303 1.00 0.00 C ATOM 262 C ILE A 15 82.546 -4.617 -20.507 1.00 0.00 C ATOM 263 O ILE A 15 82.122 -4.774 -21.651 1.00 0.00 O ATOM 264 CB ILE A 15 81.086 -6.300 -19.389 1.00 0.00 C ATOM 265 CG1 ILE A 15 80.202 -6.575 -18.170 1.00 0.00 C ATOM 266 CG2 ILE A 15 82.239 -7.304 -19.419 1.00 0.00 C ATOM 267 CD1 ILE A 15 79.546 -7.950 -18.312 1.00 0.00 C ATOM 0 H ILE A 15 80.053 -3.789 -20.132 1.00 0.00 H new ATOM 0 HA ILE A 15 82.238 -4.769 -18.395 1.00 0.00 H new ATOM 0 HB ILE A 15 80.494 -6.401 -20.298 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.799 -6.538 -17.259 1.00 0.00 H new ATOM 0 HG13 ILE A 15 79.437 -5.803 -18.081 1.00 0.00 H new ATOM 0 HG21 ILE A 15 81.839 -8.316 -19.480 1.00 0.00 H new ATOM 0 HG22 ILE A 15 82.868 -7.109 -20.287 1.00 0.00 H new ATOM 0 HG23 ILE A 15 82.833 -7.203 -18.511 1.00 0.00 H new ATOM 0 HD11 ILE A 15 78.917 -8.144 -17.443 1.00 0.00 H new ATOM 0 HD12 ILE A 15 78.935 -7.970 -19.214 1.00 0.00 H new ATOM 0 HD13 ILE A 15 80.318 -8.716 -18.380 1.00 0.00 H new ATOM 279 N GLY A 16 83.788 -4.226 -20.246 1.00 0.00 N ATOM 280 CA GLY A 16 84.733 -3.958 -21.323 1.00 0.00 C ATOM 281 C GLY A 16 84.426 -2.631 -22.008 1.00 0.00 C ATOM 282 O GLY A 16 85.069 -2.266 -22.992 1.00 0.00 O ATOM 0 H GLY A 16 84.162 -4.088 -19.307 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.747 -3.938 -20.924 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.694 -4.765 -22.054 1.00 0.00 H new ATOM 286 N GLY A 17 83.430 -1.918 -21.491 1.00 0.00 N ATOM 287 CA GLY A 17 83.039 -0.642 -22.075 1.00 0.00 C ATOM 288 C GLY A 17 81.795 -0.808 -22.940 1.00 0.00 C ATOM 289 O GLY A 17 81.452 0.073 -23.729 1.00 0.00 O ATOM 0 H GLY A 17 82.884 -2.200 -20.677 1.00 0.00 H new ATOM 0 HA2 GLY A 17 82.845 0.082 -21.284 1.00 0.00 H new ATOM 0 HA3 GLY A 17 83.857 -0.245 -22.677 1.00 0.00 H new ATOM 293 N GLN A 18 81.121 -1.941 -22.776 1.00 0.00 N ATOM 294 CA GLN A 18 79.908 -2.215 -23.537 1.00 0.00 C ATOM 295 C GLN A 18 78.690 -2.049 -22.640 1.00 0.00 C ATOM 296 O GLN A 18 78.762 -2.292 -21.435 1.00 0.00 O ATOM 297 CB GLN A 18 79.950 -3.637 -24.096 1.00 0.00 C ATOM 298 CG GLN A 18 81.263 -3.846 -24.849 1.00 0.00 C ATOM 299 CD GLN A 18 81.411 -2.794 -25.943 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.493 -2.592 -26.738 1.00 0.00 O ATOM 301 NE2 GLN A 18 82.515 -2.105 -26.029 1.00 0.00 N ATOM 0 H GLN A 18 81.392 -2.680 -22.127 1.00 0.00 H new ATOM 0 HA GLN A 18 79.842 -1.511 -24.366 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.863 -4.361 -23.286 1.00 0.00 H new ATOM 0 HB3 GLN A 18 79.104 -3.803 -24.764 1.00 0.00 H new ATOM 0 HG2 GLN A 18 82.103 -3.783 -24.157 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.285 -4.844 -25.287 1.00 0.00 H new ATOM 0 HE21 GLN A 18 83.274 -2.274 -25.369 1.00 0.00 H new ATOM 0 HE22 GLN A 18 82.619 -1.397 -26.756 1.00 0.00 H new ATOM 310 N LEU A 19 77.576 -1.625 -23.224 1.00 0.00 N ATOM 311 CA LEU A 19 76.361 -1.420 -22.448 1.00 0.00 C ATOM 312 C LEU A 19 75.404 -2.599 -22.604 1.00 0.00 C ATOM 313 O LEU A 19 75.068 -2.998 -23.719 1.00 0.00 O ATOM 314 CB LEU A 19 75.674 -0.131 -22.903 1.00 0.00 C ATOM 315 CG LEU A 19 76.686 1.017 -22.875 1.00 0.00 C ATOM 316 CD1 LEU A 19 75.993 2.326 -23.251 1.00 0.00 C ATOM 317 CD2 LEU A 19 77.278 1.143 -21.470 1.00 0.00 C ATOM 0 H LEU A 19 77.489 -1.419 -24.219 1.00 0.00 H new ATOM 0 HA LEU A 19 76.634 -1.340 -21.396 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.274 -0.254 -23.909 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.831 0.096 -22.250 1.00 0.00 H new ATOM 0 HG LEU A 19 77.482 0.810 -23.590 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.717 3.140 -23.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.573 2.240 -24.253 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.194 2.532 -22.539 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.999 1.961 -21.451 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.480 1.346 -20.756 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.778 0.212 -21.201 1.00 0.00 H new ATOM 329 N LYS A 20 74.969 -3.147 -21.474 1.00 0.00 N ATOM 330 CA LYS A 20 74.049 -4.278 -21.482 1.00 0.00 C ATOM 331 C LYS A 20 72.969 -4.096 -20.419 1.00 0.00 C ATOM 332 O LYS A 20 73.144 -3.328 -19.473 1.00 0.00 O ATOM 333 CB LYS A 20 74.808 -5.580 -21.221 1.00 0.00 C ATOM 334 CG LYS A 20 75.807 -5.826 -22.354 1.00 0.00 C ATOM 335 CD LYS A 20 76.472 -7.189 -22.160 1.00 0.00 C ATOM 336 CE LYS A 20 77.543 -7.392 -23.233 1.00 0.00 C ATOM 337 NZ LYS A 20 78.515 -6.263 -23.184 1.00 0.00 N ATOM 0 H LYS A 20 75.238 -2.827 -20.544 1.00 0.00 H new ATOM 0 HA LYS A 20 73.577 -4.327 -22.463 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.331 -5.523 -20.267 1.00 0.00 H new ATOM 0 HB3 LYS A 20 74.109 -6.413 -21.152 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.297 -5.792 -23.317 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.562 -5.040 -22.365 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.920 -7.249 -21.168 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.726 -7.981 -22.221 1.00 0.00 H new ATOM 0 HE2 LYS A 20 78.060 -8.338 -23.072 1.00 0.00 H new ATOM 0 HE3 LYS A 20 77.080 -7.445 -24.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 79.412 -6.558 -23.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 78.129 -5.450 -23.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 78.683 -5.992 -22.194 1.00 0.00 H new ATOM 351 N GLU A 21 71.860 -4.810 -20.574 1.00 0.00 N ATOM 352 CA GLU A 21 70.768 -4.722 -19.612 1.00 0.00 C ATOM 353 C GLU A 21 70.671 -6.021 -18.818 1.00 0.00 C ATOM 354 O GLU A 21 70.949 -7.098 -19.344 1.00 0.00 O ATOM 355 CB GLU A 21 69.448 -4.463 -20.341 1.00 0.00 C ATOM 356 CG GLU A 21 69.546 -3.155 -21.129 1.00 0.00 C ATOM 357 CD GLU A 21 69.753 -1.983 -20.175 1.00 0.00 C ATOM 358 OE1 GLU A 21 69.489 -2.148 -18.996 1.00 0.00 O ATOM 359 OE2 GLU A 21 70.175 -0.936 -20.639 1.00 0.00 O ATOM 0 H GLU A 21 71.694 -5.451 -21.350 1.00 0.00 H new ATOM 0 HA GLU A 21 70.965 -3.897 -18.928 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.225 -5.290 -21.015 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.629 -4.407 -19.624 1.00 0.00 H new ATOM 0 HG2 GLU A 21 70.373 -3.209 -21.837 1.00 0.00 H new ATOM 0 HG3 GLU A 21 68.638 -3.004 -21.712 1.00 0.00 H new ATOM 366 N ALA A 22 70.279 -5.919 -17.552 1.00 0.00 N ATOM 367 CA ALA A 22 70.158 -7.105 -16.711 1.00 0.00 C ATOM 368 C ALA A 22 69.015 -6.953 -15.715 1.00 0.00 C ATOM 369 O ALA A 22 68.708 -5.847 -15.269 1.00 0.00 O ATOM 370 CB ALA A 22 71.467 -7.343 -15.956 1.00 0.00 C ATOM 0 H ALA A 22 70.043 -5.041 -17.091 1.00 0.00 H new ATOM 0 HA ALA A 22 69.945 -7.959 -17.355 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.370 -8.230 -15.330 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.277 -7.490 -16.670 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.688 -6.479 -15.329 1.00 0.00 H new ATOM 376 N LEU A 23 68.392 -8.074 -15.367 1.00 0.00 N ATOM 377 CA LEU A 23 67.286 -8.062 -14.419 1.00 0.00 C ATOM 378 C LEU A 23 67.743 -8.579 -13.059 1.00 0.00 C ATOM 379 O LEU A 23 68.583 -9.475 -12.974 1.00 0.00 O ATOM 380 CB LEU A 23 66.137 -8.935 -14.935 1.00 0.00 C ATOM 381 CG LEU A 23 65.617 -8.381 -16.263 1.00 0.00 C ATOM 382 CD1 LEU A 23 66.374 -9.029 -17.424 1.00 0.00 C ATOM 383 CD2 LEU A 23 64.125 -8.696 -16.392 1.00 0.00 C ATOM 0 H LEU A 23 68.633 -8.998 -15.726 1.00 0.00 H new ATOM 0 HA LEU A 23 66.939 -7.034 -14.312 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.480 -9.961 -15.069 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.331 -8.961 -14.202 1.00 0.00 H new ATOM 0 HG LEU A 23 65.770 -7.302 -16.290 1.00 0.00 H new ATOM 0 HD11 LEU A 23 66.001 -8.632 -18.368 1.00 0.00 H new ATOM 0 HD12 LEU A 23 67.438 -8.809 -17.333 1.00 0.00 H new ATOM 0 HD13 LEU A 23 66.223 -10.108 -17.399 1.00 0.00 H new ATOM 0 HD21 LEU A 23 63.751 -8.303 -17.337 1.00 0.00 H new ATOM 0 HD22 LEU A 23 63.977 -9.776 -16.364 1.00 0.00 H new ATOM 0 HD23 LEU A 23 63.583 -8.234 -15.567 1.00 0.00 H new ATOM 395 N LEU A 24 67.180 -8.014 -11.996 1.00 0.00 N ATOM 396 CA LEU A 24 67.536 -8.435 -10.646 1.00 0.00 C ATOM 397 C LEU A 24 66.557 -9.497 -10.157 1.00 0.00 C ATOM 398 O LEU A 24 65.343 -9.297 -10.200 1.00 0.00 O ATOM 399 CB LEU A 24 67.505 -7.234 -9.698 1.00 0.00 C ATOM 400 CG LEU A 24 68.051 -7.646 -8.328 1.00 0.00 C ATOM 401 CD1 LEU A 24 69.559 -7.899 -8.421 1.00 0.00 C ATOM 402 CD2 LEU A 24 67.787 -6.526 -7.319 1.00 0.00 C ATOM 0 H LEU A 24 66.483 -7.271 -12.042 1.00 0.00 H new ATOM 0 HA LEU A 24 68.542 -8.854 -10.662 1.00 0.00 H new ATOM 0 HB2 LEU A 24 68.101 -6.419 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.485 -6.864 -9.598 1.00 0.00 H new ATOM 0 HG LEU A 24 67.553 -8.560 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.940 -8.192 -7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 24 69.750 -8.697 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 24 70.061 -6.989 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 24 68.175 -6.817 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.284 -5.614 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 24 66.714 -6.348 -7.245 1.00 0.00 H new ATOM 414 N ASP A 25 67.087 -10.629 -9.702 1.00 0.00 N ATOM 415 CA ASP A 25 66.235 -11.710 -9.221 1.00 0.00 C ATOM 416 C ASP A 25 66.704 -12.218 -7.861 1.00 0.00 C ATOM 417 O ASP A 25 67.634 -13.020 -7.771 1.00 0.00 O ATOM 418 CB ASP A 25 66.240 -12.862 -10.225 1.00 0.00 C ATOM 419 CG ASP A 25 65.248 -13.935 -9.789 1.00 0.00 C ATOM 420 OD1 ASP A 25 64.541 -13.703 -8.822 1.00 0.00 O ATOM 421 OD2 ASP A 25 65.209 -14.974 -10.429 1.00 0.00 O ATOM 0 H ASP A 25 68.088 -10.820 -9.657 1.00 0.00 H new ATOM 0 HA ASP A 25 65.223 -11.319 -9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 25 65.977 -12.493 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 25 67.241 -13.288 -10.298 1.00 0.00 H new ATOM 426 N THR A 26 66.045 -11.748 -6.810 1.00 0.00 N ATOM 427 CA THR A 26 66.383 -12.158 -5.452 1.00 0.00 C ATOM 428 C THR A 26 66.048 -13.630 -5.234 1.00 0.00 C ATOM 429 O THR A 26 66.596 -14.274 -4.339 1.00 0.00 O ATOM 430 CB THR A 26 65.613 -11.304 -4.442 1.00 0.00 C ATOM 431 OG1 THR A 26 65.882 -9.931 -4.683 1.00 0.00 O ATOM 432 CG2 THR A 26 66.047 -11.671 -3.022 1.00 0.00 C ATOM 0 H THR A 26 65.274 -11.083 -6.871 1.00 0.00 H new ATOM 0 HA THR A 26 67.454 -12.017 -5.308 1.00 0.00 H new ATOM 0 HB THR A 26 64.544 -11.489 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 26 65.388 -9.383 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 26 65.497 -11.062 -2.305 1.00 0.00 H new ATOM 0 HG22 THR A 26 65.838 -12.725 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 26 67.116 -11.488 -2.910 1.00 0.00 H new ATOM 440 N GLY A 27 65.146 -14.156 -6.057 1.00 0.00 N ATOM 441 CA GLY A 27 64.743 -15.553 -5.948 1.00 0.00 C ATOM 442 C GLY A 27 65.816 -16.485 -6.504 1.00 0.00 C ATOM 443 O GLY A 27 65.837 -17.676 -6.193 1.00 0.00 O ATOM 0 H GLY A 27 64.682 -13.638 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 27 64.551 -15.798 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 27 63.809 -15.707 -6.488 1.00 0.00 H new ATOM 447 N ALA A 28 66.705 -15.940 -7.328 1.00 0.00 N ATOM 448 CA ALA A 28 67.772 -16.741 -7.918 1.00 0.00 C ATOM 449 C ALA A 28 69.102 -16.463 -7.226 1.00 0.00 C ATOM 450 O ALA A 28 69.537 -15.316 -7.138 1.00 0.00 O ATOM 451 CB ALA A 28 67.899 -16.427 -9.410 1.00 0.00 C ATOM 0 H ALA A 28 66.709 -14.957 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 28 67.520 -17.793 -7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.698 -17.030 -9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 28 66.959 -16.657 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.131 -15.370 -9.541 1.00 0.00 H new ATOM 457 N ASP A 29 69.749 -17.522 -6.749 1.00 0.00 N ATOM 458 CA ASP A 29 71.036 -17.380 -6.079 1.00 0.00 C ATOM 459 C ASP A 29 72.169 -17.328 -7.101 1.00 0.00 C ATOM 460 O ASP A 29 73.129 -16.576 -6.946 1.00 0.00 O ATOM 461 CB ASP A 29 71.263 -18.553 -5.124 1.00 0.00 C ATOM 462 CG ASP A 29 70.232 -18.521 -4.002 1.00 0.00 C ATOM 463 OD1 ASP A 29 69.586 -17.497 -3.846 1.00 0.00 O ATOM 464 OD2 ASP A 29 70.103 -19.520 -3.314 1.00 0.00 O ATOM 0 H ASP A 29 69.406 -18.481 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 29 71.027 -16.449 -5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 29 71.191 -19.495 -5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 29 72.268 -18.503 -4.706 1.00 0.00 H new ATOM 469 N ASP A 30 72.048 -18.143 -8.146 1.00 0.00 N ATOM 470 CA ASP A 30 73.067 -18.197 -9.189 1.00 0.00 C ATOM 471 C ASP A 30 72.919 -17.033 -10.162 1.00 0.00 C ATOM 472 O ASP A 30 71.823 -16.507 -10.358 1.00 0.00 O ATOM 473 CB ASP A 30 72.962 -19.520 -9.951 1.00 0.00 C ATOM 474 CG ASP A 30 73.316 -20.680 -9.027 1.00 0.00 C ATOM 475 OD1 ASP A 30 73.871 -20.424 -7.971 1.00 0.00 O ATOM 476 OD2 ASP A 30 73.026 -21.809 -9.390 1.00 0.00 O ATOM 0 H ASP A 30 71.258 -18.772 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 30 74.045 -18.125 -8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 30 71.951 -19.647 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 30 73.633 -19.510 -10.810 1.00 0.00 H new ATOM 481 N THR A 31 74.032 -16.644 -10.779 1.00 0.00 N ATOM 482 CA THR A 31 74.024 -15.550 -11.743 1.00 0.00 C ATOM 483 C THR A 31 74.475 -16.052 -13.111 1.00 0.00 C ATOM 484 O THR A 31 75.516 -16.699 -13.233 1.00 0.00 O ATOM 485 CB THR A 31 74.954 -14.430 -11.263 1.00 0.00 C ATOM 486 OG1 THR A 31 74.435 -13.870 -10.066 1.00 0.00 O ATOM 487 CG2 THR A 31 75.068 -13.338 -12.331 1.00 0.00 C ATOM 0 H THR A 31 74.947 -17.069 -10.629 1.00 0.00 H new ATOM 0 HA THR A 31 73.010 -15.160 -11.830 1.00 0.00 H new ATOM 0 HB THR A 31 75.945 -14.846 -11.078 1.00 0.00 H new ATOM 0 HG1 THR A 31 74.934 -13.057 -9.842 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.732 -12.550 -11.976 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.472 -13.767 -13.248 1.00 0.00 H new ATOM 0 HG23 THR A 31 74.081 -12.920 -12.530 1.00 0.00 H new ATOM 495 N VAL A 32 73.686 -15.746 -14.136 1.00 0.00 N ATOM 496 CA VAL A 32 74.013 -16.169 -15.494 1.00 0.00 C ATOM 497 C VAL A 32 73.853 -15.009 -16.471 1.00 0.00 C ATOM 498 O VAL A 32 72.833 -14.319 -16.468 1.00 0.00 O ATOM 499 CB VAL A 32 73.107 -17.328 -15.918 1.00 0.00 C ATOM 500 CG1 VAL A 32 73.408 -17.711 -17.367 1.00 0.00 C ATOM 501 CG2 VAL A 32 73.364 -18.535 -15.012 1.00 0.00 C ATOM 0 H VAL A 32 72.822 -15.211 -14.054 1.00 0.00 H new ATOM 0 HA VAL A 32 75.051 -16.500 -15.509 1.00 0.00 H new ATOM 0 HB VAL A 32 72.065 -17.021 -15.832 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.762 -18.536 -17.667 1.00 0.00 H new ATOM 0 HG12 VAL A 32 73.226 -16.854 -18.015 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.451 -18.017 -17.453 1.00 0.00 H new ATOM 0 HG21 VAL A 32 72.719 -19.360 -15.314 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.407 -18.839 -15.098 1.00 0.00 H new ATOM 0 HG23 VAL A 32 73.149 -18.266 -13.978 1.00 0.00 H new ATOM 511 N ILE A 33 74.862 -14.805 -17.308 1.00 0.00 N ATOM 512 CA ILE A 33 74.821 -13.730 -18.291 1.00 0.00 C ATOM 513 C ILE A 33 74.932 -14.302 -19.702 1.00 0.00 C ATOM 514 O ILE A 33 75.748 -15.185 -19.961 1.00 0.00 O ATOM 515 CB ILE A 33 75.964 -12.742 -18.031 1.00 0.00 C ATOM 516 CG1 ILE A 33 75.880 -12.245 -16.586 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.852 -11.543 -18.978 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.033 -11.280 -16.310 1.00 0.00 C ATOM 0 H ILE A 33 75.714 -15.366 -17.326 1.00 0.00 H new ATOM 0 HA ILE A 33 73.870 -13.204 -18.201 1.00 0.00 H new ATOM 0 HB ILE A 33 76.915 -13.246 -18.201 1.00 0.00 H new ATOM 0 HG12 ILE A 33 74.926 -11.746 -16.417 1.00 0.00 H new ATOM 0 HG13 ILE A 33 75.925 -13.088 -15.897 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.669 -10.848 -18.784 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.907 -11.888 -20.010 1.00 0.00 H new ATOM 0 HG23 ILE A 33 74.900 -11.038 -18.815 1.00 0.00 H new ATOM 0 HD11 ILE A 33 76.973 -10.926 -15.281 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.982 -11.794 -16.462 1.00 0.00 H new ATOM 0 HD13 ILE A 33 76.967 -10.431 -16.990 1.00 0.00 H new ATOM 530 N GLU A 34 74.112 -13.790 -20.613 1.00 0.00 N ATOM 531 CA GLU A 34 74.139 -14.256 -21.995 1.00 0.00 C ATOM 532 C GLU A 34 75.551 -14.170 -22.568 1.00 0.00 C ATOM 533 O GLU A 34 76.390 -13.420 -22.069 1.00 0.00 O ATOM 534 CB GLU A 34 73.196 -13.413 -22.850 1.00 0.00 C ATOM 535 CG GLU A 34 73.735 -11.983 -22.951 1.00 0.00 C ATOM 536 CD GLU A 34 72.716 -11.091 -23.652 1.00 0.00 C ATOM 537 OE1 GLU A 34 72.566 -11.228 -24.855 1.00 0.00 O ATOM 538 OE2 GLU A 34 72.101 -10.284 -22.975 1.00 0.00 O ATOM 0 H GLU A 34 73.426 -13.059 -20.423 1.00 0.00 H new ATOM 0 HA GLU A 34 73.815 -15.297 -22.008 1.00 0.00 H new ATOM 0 HB2 GLU A 34 73.103 -13.849 -23.845 1.00 0.00 H new ATOM 0 HB3 GLU A 34 72.198 -13.406 -22.411 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.947 -11.594 -21.955 1.00 0.00 H new ATOM 0 HG3 GLU A 34 74.675 -11.978 -23.502 1.00 0.00 H new ATOM 545 N GLU A 35 75.802 -14.937 -23.625 1.00 0.00 N ATOM 546 CA GLU A 35 77.112 -14.934 -24.267 1.00 0.00 C ATOM 547 C GLU A 35 77.156 -13.867 -25.357 1.00 0.00 C ATOM 548 O GLU A 35 76.207 -13.718 -26.124 1.00 0.00 O ATOM 549 CB GLU A 35 77.394 -16.306 -24.884 1.00 0.00 C ATOM 550 CG GLU A 35 78.830 -16.347 -25.412 1.00 0.00 C ATOM 551 CD GLU A 35 79.086 -17.670 -26.127 1.00 0.00 C ATOM 552 OE1 GLU A 35 78.153 -18.448 -26.245 1.00 0.00 O ATOM 553 OE2 GLU A 35 80.211 -17.887 -26.545 1.00 0.00 O ATOM 0 H GLU A 35 75.121 -15.564 -24.052 1.00 0.00 H new ATOM 0 HA GLU A 35 77.871 -14.713 -23.516 1.00 0.00 H new ATOM 0 HB2 GLU A 35 77.247 -17.088 -24.139 1.00 0.00 H new ATOM 0 HB3 GLU A 35 76.692 -16.503 -25.695 1.00 0.00 H new ATOM 0 HG2 GLU A 35 78.998 -15.516 -26.097 1.00 0.00 H new ATOM 0 HG3 GLU A 35 79.533 -16.228 -24.587 1.00 0.00 H new ATOM 560 N MET A 36 78.258 -13.126 -25.417 1.00 0.00 N ATOM 561 CA MET A 36 78.405 -12.072 -26.417 1.00 0.00 C ATOM 562 C MET A 36 79.701 -11.298 -26.199 1.00 0.00 C ATOM 563 O MET A 36 80.571 -11.724 -25.439 1.00 0.00 O ATOM 564 CB MET A 36 77.215 -11.112 -26.342 1.00 0.00 C ATOM 565 CG MET A 36 76.425 -11.170 -27.650 1.00 0.00 C ATOM 566 SD MET A 36 75.104 -9.933 -27.608 1.00 0.00 S ATOM 567 CE MET A 36 76.164 -8.467 -27.647 1.00 0.00 C ATOM 0 H MET A 36 79.056 -13.233 -24.791 1.00 0.00 H new ATOM 0 HA MET A 36 78.437 -12.536 -27.403 1.00 0.00 H new ATOM 0 HB2 MET A 36 76.571 -11.380 -25.504 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.566 -10.096 -26.162 1.00 0.00 H new ATOM 0 HG2 MET A 36 77.086 -10.984 -28.496 1.00 0.00 H new ATOM 0 HG3 MET A 36 76.002 -12.165 -27.789 1.00 0.00 H new ATOM 0 HE1 MET A 36 75.633 -7.647 -28.129 1.00 0.00 H new ATOM 0 HE2 MET A 36 76.426 -8.181 -26.629 1.00 0.00 H new ATOM 0 HE3 MET A 36 77.072 -8.690 -28.207 1.00 0.00 H new ATOM 577 N SER A 37 79.821 -10.155 -26.869 1.00 0.00 N ATOM 578 CA SER A 37 81.014 -9.324 -26.740 1.00 0.00 C ATOM 579 C SER A 37 82.275 -10.175 -26.839 1.00 0.00 C ATOM 580 O SER A 37 82.297 -11.182 -27.547 1.00 0.00 O ATOM 581 CB SER A 37 80.996 -8.594 -25.397 1.00 0.00 C ATOM 582 OG SER A 37 81.229 -9.529 -24.350 1.00 0.00 O ATOM 0 H SER A 37 79.112 -9.785 -27.502 1.00 0.00 H new ATOM 0 HA SER A 37 81.016 -8.596 -27.552 1.00 0.00 H new ATOM 0 HB2 SER A 37 81.760 -7.817 -25.382 1.00 0.00 H new ATOM 0 HB3 SER A 37 80.035 -8.100 -25.252 1.00 0.00 H new ATOM 0 HG SER A 37 81.270 -10.434 -24.723 1.00 0.00 H new ATOM 588 N LEU A 38 83.322 -9.744 -26.136 1.00 0.00 N ATOM 589 CA LEU A 38 84.607 -10.445 -26.138 1.00 0.00 C ATOM 590 C LEU A 38 84.421 -11.937 -26.432 1.00 0.00 C ATOM 591 O LEU A 38 83.400 -12.522 -26.071 1.00 0.00 O ATOM 592 CB LEU A 38 85.279 -10.277 -24.774 1.00 0.00 C ATOM 593 CG LEU A 38 84.363 -10.837 -23.687 1.00 0.00 C ATOM 594 CD1 LEU A 38 85.080 -11.967 -22.946 1.00 0.00 C ATOM 595 CD2 LEU A 38 84.007 -9.724 -22.697 1.00 0.00 C ATOM 0 H LEU A 38 83.305 -8.907 -25.554 1.00 0.00 H new ATOM 0 HA LEU A 38 85.232 -10.015 -26.921 1.00 0.00 H new ATOM 0 HB2 LEU A 38 86.237 -10.797 -24.761 1.00 0.00 H new ATOM 0 HB3 LEU A 38 85.485 -9.224 -24.585 1.00 0.00 H new ATOM 0 HG LEU A 38 83.452 -11.223 -24.144 1.00 0.00 H new ATOM 0 HD11 LEU A 38 84.426 -12.366 -22.171 1.00 0.00 H new ATOM 0 HD12 LEU A 38 85.334 -12.760 -23.650 1.00 0.00 H new ATOM 0 HD13 LEU A 38 85.991 -11.582 -22.489 1.00 0.00 H new ATOM 0 HD21 LEU A 38 83.353 -10.123 -21.921 1.00 0.00 H new ATOM 0 HD22 LEU A 38 84.918 -9.338 -22.241 1.00 0.00 H new ATOM 0 HD23 LEU A 38 83.495 -8.918 -23.224 1.00 0.00 H new ATOM 607 N PRO A 39 85.377 -12.563 -27.078 1.00 0.00 N ATOM 608 CA PRO A 39 85.289 -14.013 -27.422 1.00 0.00 C ATOM 609 C PRO A 39 85.077 -14.887 -26.190 1.00 0.00 C ATOM 610 O PRO A 39 85.667 -14.650 -25.137 1.00 0.00 O ATOM 611 CB PRO A 39 86.631 -14.331 -28.096 1.00 0.00 C ATOM 612 CG PRO A 39 87.535 -13.188 -27.770 1.00 0.00 C ATOM 613 CD PRO A 39 86.640 -11.974 -27.547 1.00 0.00 C ATOM 0 HA PRO A 39 84.434 -14.219 -28.067 1.00 0.00 H new ATOM 0 HB2 PRO A 39 87.041 -15.271 -27.726 1.00 0.00 H new ATOM 0 HB3 PRO A 39 86.511 -14.438 -29.174 1.00 0.00 H new ATOM 0 HG2 PRO A 39 88.125 -13.403 -26.879 1.00 0.00 H new ATOM 0 HG3 PRO A 39 88.239 -13.007 -28.583 1.00 0.00 H new ATOM 0 HD2 PRO A 39 87.064 -11.292 -26.809 1.00 0.00 H new ATOM 0 HD3 PRO A 39 86.501 -11.403 -28.465 1.00 0.00 H new ATOM 621 N GLY A 40 84.230 -15.898 -26.337 1.00 0.00 N ATOM 622 CA GLY A 40 83.943 -16.806 -25.235 1.00 0.00 C ATOM 623 C GLY A 40 84.941 -17.958 -25.207 1.00 0.00 C ATOM 624 O GLY A 40 85.034 -18.733 -26.158 1.00 0.00 O ATOM 0 H GLY A 40 83.733 -16.109 -27.202 1.00 0.00 H new ATOM 0 HA2 GLY A 40 83.982 -16.263 -24.291 1.00 0.00 H new ATOM 0 HA3 GLY A 40 82.931 -17.198 -25.336 1.00 0.00 H new ATOM 628 N ARG A 41 85.685 -18.066 -24.111 1.00 0.00 N ATOM 629 CA ARG A 41 86.668 -19.132 -23.977 1.00 0.00 C ATOM 630 C ARG A 41 85.976 -20.489 -24.072 1.00 0.00 C ATOM 631 O ARG A 41 85.324 -20.786 -25.072 1.00 0.00 O ATOM 632 CB ARG A 41 87.401 -19.003 -22.639 1.00 0.00 C ATOM 633 CG ARG A 41 88.661 -19.873 -22.654 1.00 0.00 C ATOM 634 CD ARG A 41 89.484 -19.597 -21.395 1.00 0.00 C ATOM 635 NE ARG A 41 88.781 -20.079 -20.213 1.00 0.00 N ATOM 636 CZ ARG A 41 89.413 -20.234 -19.055 1.00 0.00 C ATOM 637 NH1 ARG A 41 90.684 -19.952 -18.964 1.00 0.00 N ATOM 638 NH2 ARG A 41 88.764 -20.665 -18.008 1.00 0.00 N ATOM 0 H ARG A 41 85.627 -17.435 -23.311 1.00 0.00 H new ATOM 0 HA ARG A 41 87.396 -19.050 -24.784 1.00 0.00 H new ATOM 0 HB2 ARG A 41 87.669 -17.962 -22.459 1.00 0.00 H new ATOM 0 HB3 ARG A 41 86.746 -19.309 -21.824 1.00 0.00 H new ATOM 0 HG2 ARG A 41 88.388 -20.927 -22.699 1.00 0.00 H new ATOM 0 HG3 ARG A 41 89.254 -19.659 -23.543 1.00 0.00 H new ATOM 0 HD2 ARG A 41 90.455 -20.086 -21.473 1.00 0.00 H new ATOM 0 HD3 ARG A 41 89.672 -18.527 -21.303 1.00 0.00 H new ATOM 0 HE ARG A 41 87.787 -20.301 -20.276 1.00 0.00 H new ATOM 0 HH11 ARG A 41 91.191 -19.613 -19.782 1.00 0.00 H new ATOM 0 HH12 ARG A 41 91.170 -20.071 -18.075 1.00 0.00 H new ATOM 0 HH21 ARG A 41 87.770 -20.883 -18.078 1.00 0.00 H new ATOM 0 HH22 ARG A 41 89.251 -20.784 -17.119 1.00 0.00 H new ATOM 652 N TRP A 42 86.109 -21.306 -23.030 1.00 0.00 N ATOM 653 CA TRP A 42 85.477 -22.621 -23.029 1.00 0.00 C ATOM 654 C TRP A 42 85.680 -23.336 -21.698 1.00 0.00 C ATOM 655 O TRP A 42 86.644 -24.083 -21.529 1.00 0.00 O ATOM 656 CB TRP A 42 86.051 -23.481 -24.155 1.00 0.00 C ATOM 657 CG TRP A 42 85.402 -24.827 -24.130 1.00 0.00 C ATOM 658 CD1 TRP A 42 86.034 -25.990 -23.848 1.00 0.00 C ATOM 659 CD2 TRP A 42 84.009 -25.169 -24.386 1.00 0.00 C ATOM 660 NE1 TRP A 42 85.119 -27.024 -23.920 1.00 0.00 N ATOM 661 CE2 TRP A 42 83.856 -26.569 -24.247 1.00 0.00 C ATOM 662 CE3 TRP A 42 82.875 -24.408 -24.723 1.00 0.00 C ATOM 663 CZ2 TRP A 42 82.622 -27.192 -24.437 1.00 0.00 C ATOM 664 CZ3 TRP A 42 81.631 -25.032 -24.913 1.00 0.00 C ATOM 665 CH2 TRP A 42 81.505 -26.421 -24.770 1.00 0.00 C ATOM 0 H TRP A 42 86.640 -21.085 -22.188 1.00 0.00 H new ATOM 0 HA TRP A 42 84.408 -22.473 -23.183 1.00 0.00 H new ATOM 0 HB2 TRP A 42 85.880 -23.000 -25.118 1.00 0.00 H new ATOM 0 HB3 TRP A 42 87.130 -23.583 -24.036 1.00 0.00 H new ATOM 0 HD1 TRP A 42 87.082 -26.093 -23.606 1.00 0.00 H new ATOM 0 HE1 TRP A 42 85.348 -28.004 -23.752 1.00 0.00 H new ATOM 0 HE3 TRP A 42 82.961 -23.337 -24.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 82.531 -28.263 -24.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 80.766 -24.438 -25.171 1.00 0.00 H new ATOM 0 HH2 TRP A 42 80.546 -26.895 -24.917 1.00 0.00 H new ATOM 676 N LYS A 43 84.766 -23.114 -20.757 1.00 0.00 N ATOM 677 CA LYS A 43 84.852 -23.753 -19.452 1.00 0.00 C ATOM 678 C LYS A 43 83.668 -24.707 -19.273 1.00 0.00 C ATOM 679 O LYS A 43 82.619 -24.313 -18.759 1.00 0.00 O ATOM 680 CB LYS A 43 84.826 -22.688 -18.355 1.00 0.00 C ATOM 681 CG LYS A 43 85.353 -23.283 -17.045 1.00 0.00 C ATOM 682 CD LYS A 43 86.881 -23.397 -17.102 1.00 0.00 C ATOM 683 CE LYS A 43 87.501 -22.449 -16.074 1.00 0.00 C ATOM 684 NZ LYS A 43 87.020 -21.062 -16.324 1.00 0.00 N ATOM 0 H LYS A 43 83.961 -22.499 -20.875 1.00 0.00 H new ATOM 0 HA LYS A 43 85.784 -24.315 -19.384 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.436 -21.834 -18.649 1.00 0.00 H new ATOM 0 HB3 LYS A 43 83.809 -22.320 -18.216 1.00 0.00 H new ATOM 0 HG2 LYS A 43 85.057 -22.654 -16.205 1.00 0.00 H new ATOM 0 HG3 LYS A 43 84.912 -24.266 -16.878 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.188 -24.423 -16.898 1.00 0.00 H new ATOM 0 HD3 LYS A 43 87.238 -23.150 -18.102 1.00 0.00 H new ATOM 0 HE2 LYS A 43 87.231 -22.763 -15.065 1.00 0.00 H new ATOM 0 HE3 LYS A 43 88.588 -22.486 -16.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 87.743 -20.382 -16.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 86.841 -20.934 -17.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 86.140 -20.899 -15.795 1.00 0.00 H new ATOM 698 N PRO A 44 83.806 -25.935 -19.717 1.00 0.00 N ATOM 699 CA PRO A 44 82.718 -26.957 -19.638 1.00 0.00 C ATOM 700 C PRO A 44 82.023 -27.021 -18.280 1.00 0.00 C ATOM 701 O PRO A 44 82.526 -27.634 -17.339 1.00 0.00 O ATOM 702 CB PRO A 44 83.438 -28.273 -19.934 1.00 0.00 C ATOM 703 CG PRO A 44 84.610 -27.898 -20.774 1.00 0.00 C ATOM 704 CD PRO A 44 85.020 -26.490 -20.346 1.00 0.00 C ATOM 0 HA PRO A 44 81.913 -26.720 -20.334 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.754 -28.764 -19.014 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.784 -28.970 -20.459 1.00 0.00 H new ATOM 0 HG2 PRO A 44 85.431 -28.601 -20.631 1.00 0.00 H new ATOM 0 HG3 PRO A 44 84.352 -27.921 -21.833 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.856 -26.514 -19.646 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.336 -25.890 -21.200 1.00 0.00 H new ATOM 712 N LYS A 45 80.843 -26.412 -18.205 1.00 0.00 N ATOM 713 CA LYS A 45 80.048 -26.428 -16.984 1.00 0.00 C ATOM 714 C LYS A 45 78.601 -26.731 -17.362 1.00 0.00 C ATOM 715 O LYS A 45 78.079 -26.162 -18.320 1.00 0.00 O ATOM 716 CB LYS A 45 80.137 -25.077 -16.267 1.00 0.00 C ATOM 717 CG LYS A 45 79.407 -25.159 -14.925 1.00 0.00 C ATOM 718 CD LYS A 45 79.431 -23.788 -14.247 1.00 0.00 C ATOM 719 CE LYS A 45 78.860 -23.905 -12.833 1.00 0.00 C ATOM 720 NZ LYS A 45 79.844 -23.362 -11.855 1.00 0.00 N ATOM 0 H LYS A 45 80.417 -25.901 -18.978 1.00 0.00 H new ATOM 0 HA LYS A 45 80.427 -27.192 -16.305 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.181 -24.806 -16.109 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.695 -24.296 -16.886 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.378 -25.483 -15.078 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.883 -25.902 -14.285 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.452 -23.408 -14.208 1.00 0.00 H new ATOM 0 HD3 LYS A 45 78.848 -23.074 -14.828 1.00 0.00 H new ATOM 0 HE2 LYS A 45 77.920 -23.357 -12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 45 78.640 -24.947 -12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.707 -23.822 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.809 -23.547 -12.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 79.704 -22.336 -11.754 1.00 0.00 H new ATOM 734 N MET A 46 77.957 -27.636 -16.636 1.00 0.00 N ATOM 735 CA MET A 46 76.578 -27.991 -16.957 1.00 0.00 C ATOM 736 C MET A 46 75.759 -28.235 -15.697 1.00 0.00 C ATOM 737 O MET A 46 76.299 -28.590 -14.650 1.00 0.00 O ATOM 738 CB MET A 46 76.559 -29.249 -17.829 1.00 0.00 C ATOM 739 CG MET A 46 76.652 -30.494 -16.943 1.00 0.00 C ATOM 740 SD MET A 46 77.045 -31.934 -17.966 1.00 0.00 S ATOM 741 CE MET A 46 76.949 -33.174 -16.653 1.00 0.00 C ATOM 0 H MET A 46 78.356 -28.129 -15.837 1.00 0.00 H new ATOM 0 HA MET A 46 76.132 -27.156 -17.497 1.00 0.00 H new ATOM 0 HB2 MET A 46 75.644 -29.279 -18.420 1.00 0.00 H new ATOM 0 HB3 MET A 46 77.392 -29.228 -18.532 1.00 0.00 H new ATOM 0 HG2 MET A 46 77.419 -30.355 -16.182 1.00 0.00 H new ATOM 0 HG3 MET A 46 75.709 -30.653 -16.420 1.00 0.00 H new ATOM 0 HE1 MET A 46 77.161 -34.160 -17.067 1.00 0.00 H new ATOM 0 HE2 MET A 46 77.679 -32.941 -15.878 1.00 0.00 H new ATOM 0 HE3 MET A 46 75.948 -33.170 -16.221 1.00 0.00 H new ATOM 751 N ILE A 47 74.446 -28.059 -15.816 1.00 0.00 N ATOM 752 CA ILE A 47 73.549 -28.279 -14.692 1.00 0.00 C ATOM 753 C ILE A 47 72.600 -29.429 -15.014 1.00 0.00 C ATOM 754 O ILE A 47 71.897 -29.401 -16.027 1.00 0.00 O ATOM 755 CB ILE A 47 72.742 -27.008 -14.411 1.00 0.00 C ATOM 756 CG1 ILE A 47 73.701 -25.832 -14.215 1.00 0.00 C ATOM 757 CG2 ILE A 47 71.909 -27.193 -13.140 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.897 -24.543 -14.035 1.00 0.00 C ATOM 0 H ILE A 47 73.984 -27.766 -16.677 1.00 0.00 H new ATOM 0 HA ILE A 47 74.137 -28.530 -13.809 1.00 0.00 H new ATOM 0 HB ILE A 47 72.079 -26.810 -15.253 1.00 0.00 H new ATOM 0 HG12 ILE A 47 74.332 -26.005 -13.343 1.00 0.00 H new ATOM 0 HG13 ILE A 47 74.364 -25.742 -15.075 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.337 -26.286 -12.945 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.226 -28.032 -13.272 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.571 -27.393 -12.297 1.00 0.00 H new ATOM 0 HD11 ILE A 47 73.580 -23.705 -13.895 1.00 0.00 H new ATOM 0 HD12 ILE A 47 72.285 -24.369 -14.920 1.00 0.00 H new ATOM 0 HD13 ILE A 47 72.252 -24.635 -13.161 1.00 0.00 H new ATOM 770 N GLY A 48 72.594 -30.439 -14.150 1.00 0.00 N ATOM 771 CA GLY A 48 71.737 -31.602 -14.357 1.00 0.00 C ATOM 772 C GLY A 48 70.884 -31.887 -13.127 1.00 0.00 C ATOM 773 O GLY A 48 70.582 -30.985 -12.344 1.00 0.00 O ATOM 0 H GLY A 48 73.167 -30.477 -13.307 1.00 0.00 H new ATOM 0 HA2 GLY A 48 71.091 -31.432 -15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 48 72.351 -32.473 -14.586 1.00 0.00 H new ATOM 777 N GLY A 49 70.491 -33.146 -12.970 1.00 0.00 N ATOM 778 CA GLY A 49 69.663 -33.542 -11.838 1.00 0.00 C ATOM 779 C GLY A 49 68.250 -32.993 -11.992 1.00 0.00 C ATOM 780 O GLY A 49 67.587 -33.234 -13.001 1.00 0.00 O ATOM 0 H GLY A 49 70.731 -33.905 -13.608 1.00 0.00 H new ATOM 0 HA2 GLY A 49 69.631 -34.629 -11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 49 70.103 -33.174 -10.911 1.00 0.00 H new ATOM 784 N ILE A 50 67.792 -32.253 -10.990 1.00 0.00 N ATOM 785 CA ILE A 50 66.456 -31.674 -11.034 1.00 0.00 C ATOM 786 C ILE A 50 66.536 -30.152 -11.059 1.00 0.00 C ATOM 787 O ILE A 50 67.223 -29.543 -10.239 1.00 0.00 O ATOM 788 CB ILE A 50 65.648 -32.125 -9.817 1.00 0.00 C ATOM 789 CG1 ILE A 50 65.619 -33.655 -9.761 1.00 0.00 C ATOM 790 CG2 ILE A 50 64.218 -31.594 -9.927 1.00 0.00 C ATOM 791 CD1 ILE A 50 64.908 -34.105 -8.483 1.00 0.00 C ATOM 0 H ILE A 50 68.321 -32.041 -10.144 1.00 0.00 H new ATOM 0 HA ILE A 50 65.961 -32.017 -11.942 1.00 0.00 H new ATOM 0 HB ILE A 50 66.112 -31.736 -8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 50 65.104 -34.052 -10.636 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.635 -34.050 -9.783 1.00 0.00 H new ATOM 0 HG21 ILE A 50 63.643 -31.916 -9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 50 64.236 -30.505 -9.967 1.00 0.00 H new ATOM 0 HG23 ILE A 50 63.754 -31.982 -10.834 1.00 0.00 H new ATOM 0 HD11 ILE A 50 64.887 -35.194 -8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.442 -33.720 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 50 63.887 -33.722 -8.480 1.00 0.00 H new ATOM 803 N GLY A 51 65.823 -29.543 -12.002 1.00 0.00 N ATOM 804 CA GLY A 51 65.816 -28.089 -12.120 1.00 0.00 C ATOM 805 C GLY A 51 66.834 -27.608 -13.151 1.00 0.00 C ATOM 806 O GLY A 51 66.974 -26.406 -13.379 1.00 0.00 O ATOM 0 H GLY A 51 65.247 -30.029 -12.690 1.00 0.00 H new ATOM 0 HA2 GLY A 51 64.820 -27.751 -12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 51 66.039 -27.643 -11.151 1.00 0.00 H new ATOM 810 N GLY A 52 67.542 -28.546 -13.774 1.00 0.00 N ATOM 811 CA GLY A 52 68.539 -28.186 -14.778 1.00 0.00 C ATOM 812 C GLY A 52 68.854 -29.361 -15.700 1.00 0.00 C ATOM 813 O GLY A 52 68.580 -30.515 -15.369 1.00 0.00 O ATOM 0 H GLY A 52 67.447 -29.547 -13.605 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.175 -27.346 -15.369 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.452 -27.855 -14.283 1.00 0.00 H new ATOM 817 N PHE A 53 69.438 -29.053 -16.857 1.00 0.00 N ATOM 818 CA PHE A 53 69.800 -30.080 -17.834 1.00 0.00 C ATOM 819 C PHE A 53 70.398 -29.438 -19.085 1.00 0.00 C ATOM 820 O PHE A 53 70.145 -29.884 -20.204 1.00 0.00 O ATOM 821 CB PHE A 53 68.565 -30.899 -18.232 1.00 0.00 C ATOM 822 CG PHE A 53 68.937 -32.359 -18.320 1.00 0.00 C ATOM 823 CD1 PHE A 53 69.263 -33.068 -17.158 1.00 0.00 C ATOM 824 CD2 PHE A 53 68.958 -33.002 -19.562 1.00 0.00 C ATOM 825 CE1 PHE A 53 69.609 -34.423 -17.239 1.00 0.00 C ATOM 826 CE2 PHE A 53 69.303 -34.357 -19.644 1.00 0.00 C ATOM 827 CZ PHE A 53 69.629 -35.067 -18.482 1.00 0.00 C ATOM 0 H PHE A 53 69.671 -28.101 -17.141 1.00 0.00 H new ATOM 0 HA PHE A 53 70.539 -30.738 -17.376 1.00 0.00 H new ATOM 0 HB2 PHE A 53 67.771 -30.759 -17.499 1.00 0.00 H new ATOM 0 HB3 PHE A 53 68.179 -30.553 -19.191 1.00 0.00 H new ATOM 0 HD1 PHE A 53 69.248 -32.571 -16.199 1.00 0.00 H new ATOM 0 HD2 PHE A 53 68.708 -32.453 -20.458 1.00 0.00 H new ATOM 0 HE1 PHE A 53 69.860 -34.971 -16.343 1.00 0.00 H new ATOM 0 HE2 PHE A 53 69.318 -34.854 -20.603 1.00 0.00 H new ATOM 0 HZ PHE A 53 69.896 -36.112 -18.545 1.00 0.00 H new ATOM 837 N ILE A 54 71.182 -28.383 -18.890 1.00 0.00 N ATOM 838 CA ILE A 54 71.797 -27.686 -20.020 1.00 0.00 C ATOM 839 C ILE A 54 73.277 -27.426 -19.764 1.00 0.00 C ATOM 840 O ILE A 54 73.702 -27.269 -18.620 1.00 0.00 O ATOM 841 CB ILE A 54 71.080 -26.354 -20.261 1.00 0.00 C ATOM 842 CG1 ILE A 54 71.624 -25.699 -21.537 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.321 -25.424 -19.070 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.596 -24.703 -22.077 1.00 0.00 C ATOM 0 H ILE A 54 71.406 -27.994 -17.974 1.00 0.00 H new ATOM 0 HA ILE A 54 71.704 -28.321 -20.901 1.00 0.00 H new ATOM 0 HB ILE A 54 70.011 -26.534 -20.374 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.564 -25.189 -21.325 1.00 0.00 H new ATOM 0 HG13 ILE A 54 71.837 -26.461 -22.287 1.00 0.00 H new ATOM 0 HG21 ILE A 54 70.811 -24.476 -19.240 1.00 0.00 H new ATOM 0 HG22 ILE A 54 70.933 -25.887 -18.163 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.391 -25.246 -18.958 1.00 0.00 H new ATOM 0 HD11 ILE A 54 70.982 -24.237 -22.984 1.00 0.00 H new ATOM 0 HD12 ILE A 54 69.667 -25.226 -22.305 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.405 -23.935 -21.328 1.00 0.00 H new ATOM 856 N LYS A 55 74.057 -27.366 -20.842 1.00 0.00 N ATOM 857 CA LYS A 55 75.486 -27.105 -20.721 1.00 0.00 C ATOM 858 C LYS A 55 75.749 -25.605 -20.797 1.00 0.00 C ATOM 859 O LYS A 55 75.345 -24.941 -21.751 1.00 0.00 O ATOM 860 CB LYS A 55 76.252 -27.820 -21.836 1.00 0.00 C ATOM 861 CG LYS A 55 76.133 -29.333 -21.650 1.00 0.00 C ATOM 862 CD LYS A 55 76.995 -30.044 -22.694 1.00 0.00 C ATOM 863 CE LYS A 55 76.814 -31.558 -22.564 1.00 0.00 C ATOM 864 NZ LYS A 55 77.690 -32.068 -21.472 1.00 0.00 N ATOM 0 H LYS A 55 73.726 -27.493 -21.798 1.00 0.00 H new ATOM 0 HA LYS A 55 75.829 -27.482 -19.758 1.00 0.00 H new ATOM 0 HB2 LYS A 55 75.854 -27.530 -22.808 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.301 -27.523 -21.820 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.453 -29.613 -20.646 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.093 -29.642 -21.750 1.00 0.00 H new ATOM 0 HD2 LYS A 55 76.714 -29.719 -23.695 1.00 0.00 H new ATOM 0 HD3 LYS A 55 78.043 -29.780 -22.556 1.00 0.00 H new ATOM 0 HE2 LYS A 55 75.772 -31.794 -22.349 1.00 0.00 H new ATOM 0 HE3 LYS A 55 77.064 -32.048 -23.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 77.822 -33.094 -21.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 78.614 -31.593 -21.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 77.246 -31.874 -20.552 1.00 0.00 H new ATOM 878 N VAL A 56 76.410 -25.078 -19.775 1.00 0.00 N ATOM 879 CA VAL A 56 76.704 -23.652 -19.717 1.00 0.00 C ATOM 880 C VAL A 56 78.210 -23.401 -19.653 1.00 0.00 C ATOM 881 O VAL A 56 78.946 -24.147 -19.010 1.00 0.00 O ATOM 882 CB VAL A 56 76.030 -23.048 -18.484 1.00 0.00 C ATOM 883 CG1 VAL A 56 76.225 -21.533 -18.479 1.00 0.00 C ATOM 884 CG2 VAL A 56 74.534 -23.367 -18.515 1.00 0.00 C ATOM 0 H VAL A 56 76.752 -25.614 -18.977 1.00 0.00 H new ATOM 0 HA VAL A 56 76.320 -23.182 -20.622 1.00 0.00 H new ATOM 0 HB VAL A 56 76.477 -23.472 -17.585 1.00 0.00 H new ATOM 0 HG11 VAL A 56 75.743 -21.107 -17.599 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.290 -21.303 -18.456 1.00 0.00 H new ATOM 0 HG13 VAL A 56 75.781 -21.106 -19.378 1.00 0.00 H new ATOM 0 HG21 VAL A 56 74.052 -22.937 -17.637 1.00 0.00 H new ATOM 0 HG22 VAL A 56 74.090 -22.944 -19.416 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.392 -24.448 -18.514 1.00 0.00 H new ATOM 894 N ARG A 57 78.659 -22.341 -20.319 1.00 0.00 N ATOM 895 CA ARG A 57 80.077 -21.991 -20.319 1.00 0.00 C ATOM 896 C ARG A 57 80.361 -21.049 -19.152 1.00 0.00 C ATOM 897 O ARG A 57 79.568 -20.148 -18.876 1.00 0.00 O ATOM 898 CB ARG A 57 80.447 -21.304 -21.636 1.00 0.00 C ATOM 899 CG ARG A 57 81.958 -21.405 -21.860 1.00 0.00 C ATOM 900 CD ARG A 57 82.360 -20.547 -23.065 1.00 0.00 C ATOM 901 NE ARG A 57 83.484 -19.665 -22.730 1.00 0.00 N ATOM 902 CZ ARG A 57 83.478 -18.876 -21.656 1.00 0.00 C ATOM 903 NH1 ARG A 57 82.406 -18.780 -20.918 1.00 0.00 N ATOM 904 NH2 ARG A 57 84.538 -18.176 -21.359 1.00 0.00 N ATOM 0 H ARG A 57 78.067 -21.713 -20.862 1.00 0.00 H new ATOM 0 HA ARG A 57 80.673 -22.898 -20.214 1.00 0.00 H new ATOM 0 HB2 ARG A 57 79.914 -21.771 -22.464 1.00 0.00 H new ATOM 0 HB3 ARG A 57 80.142 -20.258 -21.611 1.00 0.00 H new ATOM 0 HG2 ARG A 57 82.491 -21.071 -20.970 1.00 0.00 H new ATOM 0 HG3 ARG A 57 82.242 -22.444 -22.030 1.00 0.00 H new ATOM 0 HD2 ARG A 57 82.635 -21.192 -23.900 1.00 0.00 H new ATOM 0 HD3 ARG A 57 81.509 -19.949 -23.391 1.00 0.00 H new ATOM 0 HE ARG A 57 84.300 -19.655 -23.342 1.00 0.00 H new ATOM 0 HH11 ARG A 57 81.569 -19.310 -21.163 1.00 0.00 H new ATOM 0 HH12 ARG A 57 82.405 -18.175 -20.097 1.00 0.00 H new ATOM 0 HH21 ARG A 57 85.369 -18.233 -21.948 1.00 0.00 H new ATOM 0 HH22 ARG A 57 84.536 -17.571 -20.538 1.00 0.00 H new ATOM 918 N GLN A 58 81.478 -21.258 -18.458 1.00 0.00 N ATOM 919 CA GLN A 58 81.811 -20.404 -17.316 1.00 0.00 C ATOM 920 C GLN A 58 83.057 -19.563 -17.583 1.00 0.00 C ATOM 921 O GLN A 58 84.101 -20.085 -17.973 1.00 0.00 O ATOM 922 CB GLN A 58 82.031 -21.260 -16.064 1.00 0.00 C ATOM 923 CG GLN A 58 82.221 -20.350 -14.848 1.00 0.00 C ATOM 924 CD GLN A 58 82.569 -21.183 -13.619 1.00 0.00 C ATOM 925 OE1 GLN A 58 83.649 -21.770 -13.551 1.00 0.00 O ATOM 926 NE2 GLN A 58 81.712 -21.271 -12.638 1.00 0.00 N ATOM 0 H GLN A 58 82.155 -21.994 -18.659 1.00 0.00 H new ATOM 0 HA GLN A 58 80.972 -19.727 -17.158 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.178 -21.920 -15.908 1.00 0.00 H new ATOM 0 HB3 GLN A 58 82.906 -21.896 -16.195 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.014 -19.629 -15.044 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.310 -19.780 -14.665 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.818 -20.784 -12.697 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.937 -21.827 -11.813 1.00 0.00 H new ATOM 935 N TYR A 59 82.938 -18.255 -17.354 1.00 0.00 N ATOM 936 CA TYR A 59 84.060 -17.342 -17.556 1.00 0.00 C ATOM 937 C TYR A 59 84.516 -16.789 -16.207 1.00 0.00 C ATOM 938 O TYR A 59 83.703 -16.281 -15.434 1.00 0.00 O ATOM 939 CB TYR A 59 83.627 -16.191 -18.468 1.00 0.00 C ATOM 940 CG TYR A 59 84.725 -15.872 -19.458 1.00 0.00 C ATOM 941 CD1 TYR A 59 86.065 -15.857 -19.047 1.00 0.00 C ATOM 942 CD2 TYR A 59 84.401 -15.586 -20.790 1.00 0.00 C ATOM 943 CE1 TYR A 59 87.077 -15.559 -19.968 1.00 0.00 C ATOM 944 CE2 TYR A 59 85.413 -15.287 -21.710 1.00 0.00 C ATOM 945 CZ TYR A 59 86.751 -15.274 -21.300 1.00 0.00 C ATOM 946 OH TYR A 59 87.748 -14.980 -22.206 1.00 0.00 O ATOM 0 H TYR A 59 82.081 -17.807 -17.030 1.00 0.00 H new ATOM 0 HA TYR A 59 84.886 -17.878 -18.023 1.00 0.00 H new ATOM 0 HB2 TYR A 59 82.715 -16.461 -18.999 1.00 0.00 H new ATOM 0 HB3 TYR A 59 83.398 -15.309 -17.870 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.317 -16.075 -18.020 1.00 0.00 H new ATOM 0 HD2 TYR A 59 83.369 -15.596 -21.108 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.109 -15.549 -19.651 1.00 0.00 H new ATOM 0 HE2 TYR A 59 85.161 -15.066 -22.737 1.00 0.00 H new ATOM 0 HH TYR A 59 87.351 -14.808 -23.085 1.00 0.00 H new ATOM 956 N ASP A 60 85.810 -16.908 -15.914 1.00 0.00 N ATOM 957 CA ASP A 60 86.334 -16.431 -14.636 1.00 0.00 C ATOM 958 C ASP A 60 87.447 -15.402 -14.821 1.00 0.00 C ATOM 959 O ASP A 60 87.956 -15.202 -15.923 1.00 0.00 O ATOM 960 CB ASP A 60 86.878 -17.612 -13.829 1.00 0.00 C ATOM 961 CG ASP A 60 85.750 -18.580 -13.491 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.603 -18.193 -13.631 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.051 -19.695 -13.098 1.00 0.00 O ATOM 0 H ASP A 60 86.505 -17.324 -16.534 1.00 0.00 H new ATOM 0 HA ASP A 60 85.512 -15.950 -14.105 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.651 -18.127 -14.400 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.345 -17.252 -12.913 1.00 0.00 H new ATOM 968 N GLN A 61 87.810 -14.765 -13.708 1.00 0.00 N ATOM 969 CA GLN A 61 88.869 -13.755 -13.681 1.00 0.00 C ATOM 970 C GLN A 61 88.502 -12.516 -14.494 1.00 0.00 C ATOM 971 O GLN A 61 89.365 -11.903 -15.122 1.00 0.00 O ATOM 972 CB GLN A 61 90.177 -14.345 -14.216 1.00 0.00 C ATOM 973 CG GLN A 61 90.582 -15.546 -13.362 1.00 0.00 C ATOM 974 CD GLN A 61 91.888 -16.137 -13.881 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.325 -15.810 -14.984 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.542 -16.994 -13.146 1.00 0.00 N ATOM 0 H GLN A 61 87.379 -14.934 -12.799 1.00 0.00 H new ATOM 0 HA GLN A 61 88.996 -13.451 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 61 90.053 -14.650 -15.255 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.963 -13.590 -14.197 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.699 -15.241 -12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.796 -16.301 -13.386 1.00 0.00 H new ATOM 0 HE21 GLN A 61 92.178 -17.264 -12.232 1.00 0.00 H new ATOM 0 HE22 GLN A 61 93.417 -17.394 -13.485 1.00 0.00 H new ATOM 985 N ILE A 62 87.225 -12.140 -14.475 1.00 0.00 N ATOM 986 CA ILE A 62 86.780 -10.961 -15.212 1.00 0.00 C ATOM 987 C ILE A 62 86.157 -9.933 -14.271 1.00 0.00 C ATOM 988 O ILE A 62 85.591 -10.282 -13.232 1.00 0.00 O ATOM 989 CB ILE A 62 85.773 -11.350 -16.293 1.00 0.00 C ATOM 990 CG1 ILE A 62 86.452 -12.291 -17.293 1.00 0.00 C ATOM 991 CG2 ILE A 62 85.291 -10.087 -17.014 1.00 0.00 C ATOM 992 CD1 ILE A 62 85.422 -12.813 -18.296 1.00 0.00 C ATOM 0 H ILE A 62 86.489 -12.628 -13.964 1.00 0.00 H new ATOM 0 HA ILE A 62 87.654 -10.515 -15.686 1.00 0.00 H new ATOM 0 HB ILE A 62 84.918 -11.854 -15.842 1.00 0.00 H new ATOM 0 HG12 ILE A 62 87.249 -11.765 -17.818 1.00 0.00 H new ATOM 0 HG13 ILE A 62 86.914 -13.125 -16.765 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.572 -10.361 -17.786 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.816 -9.418 -16.297 1.00 0.00 H new ATOM 0 HG23 ILE A 62 86.142 -9.583 -17.473 1.00 0.00 H new ATOM 0 HD11 ILE A 62 85.911 -13.482 -19.005 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.640 -13.356 -17.765 1.00 0.00 H new ATOM 0 HD13 ILE A 62 84.980 -11.974 -18.834 1.00 0.00 H new ATOM 1004 N ILE A 63 86.275 -8.660 -14.646 1.00 0.00 N ATOM 1005 CA ILE A 63 85.732 -7.575 -13.838 1.00 0.00 C ATOM 1006 C ILE A 63 84.411 -7.078 -14.417 1.00 0.00 C ATOM 1007 O ILE A 63 84.284 -6.881 -15.626 1.00 0.00 O ATOM 1008 CB ILE A 63 86.727 -6.412 -13.788 1.00 0.00 C ATOM 1009 CG1 ILE A 63 88.073 -6.906 -13.250 1.00 0.00 C ATOM 1010 CG2 ILE A 63 86.182 -5.319 -12.868 1.00 0.00 C ATOM 1011 CD1 ILE A 63 89.118 -5.795 -13.386 1.00 0.00 C ATOM 0 H ILE A 63 86.741 -8.358 -15.502 1.00 0.00 H new ATOM 0 HA ILE A 63 85.557 -7.956 -12.832 1.00 0.00 H new ATOM 0 HB ILE A 63 86.866 -6.011 -14.792 1.00 0.00 H new ATOM 0 HG12 ILE A 63 87.973 -7.199 -12.205 1.00 0.00 H new ATOM 0 HG13 ILE A 63 88.394 -7.791 -13.800 1.00 0.00 H new ATOM 0 HG21 ILE A 63 86.888 -4.490 -12.830 1.00 0.00 H new ATOM 0 HG22 ILE A 63 85.225 -4.964 -13.252 1.00 0.00 H new ATOM 0 HG23 ILE A 63 86.043 -5.723 -11.865 1.00 0.00 H new ATOM 0 HD11 ILE A 63 90.076 -6.147 -13.003 1.00 0.00 H new ATOM 0 HD12 ILE A 63 89.225 -5.523 -14.436 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.798 -4.923 -12.816 1.00 0.00 H new ATOM 1023 N ILE A 64 83.434 -6.871 -13.541 1.00 0.00 N ATOM 1024 CA ILE A 64 82.125 -6.390 -13.963 1.00 0.00 C ATOM 1025 C ILE A 64 81.785 -5.099 -13.225 1.00 0.00 C ATOM 1026 O ILE A 64 82.082 -4.959 -12.039 1.00 0.00 O ATOM 1027 CB ILE A 64 81.060 -7.450 -13.674 1.00 0.00 C ATOM 1028 CG1 ILE A 64 79.703 -6.969 -14.192 1.00 0.00 C ATOM 1029 CG2 ILE A 64 80.973 -7.691 -12.167 1.00 0.00 C ATOM 1030 CD1 ILE A 64 78.753 -8.162 -14.310 1.00 0.00 C ATOM 0 H ILE A 64 83.524 -7.028 -12.537 1.00 0.00 H new ATOM 0 HA ILE A 64 82.148 -6.193 -15.035 1.00 0.00 H new ATOM 0 HB ILE A 64 81.331 -8.379 -14.175 1.00 0.00 H new ATOM 0 HG12 ILE A 64 79.286 -6.224 -13.515 1.00 0.00 H new ATOM 0 HG13 ILE A 64 79.822 -6.487 -15.162 1.00 0.00 H new ATOM 0 HG21 ILE A 64 80.214 -8.446 -11.963 1.00 0.00 H new ATOM 0 HG22 ILE A 64 81.938 -8.037 -11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 64 80.705 -6.762 -11.665 1.00 0.00 H new ATOM 0 HD11 ILE A 64 77.785 -7.822 -14.679 1.00 0.00 H new ATOM 0 HD12 ILE A 64 79.170 -8.892 -15.004 1.00 0.00 H new ATOM 0 HD13 ILE A 64 78.626 -8.624 -13.331 1.00 0.00 H new ATOM 1042 N GLU A 65 81.162 -4.158 -13.927 1.00 0.00 N ATOM 1043 CA GLU A 65 80.796 -2.890 -13.306 1.00 0.00 C ATOM 1044 C GLU A 65 79.288 -2.811 -13.089 1.00 0.00 C ATOM 1045 O GLU A 65 78.508 -2.918 -14.035 1.00 0.00 O ATOM 1046 CB GLU A 65 81.251 -1.727 -14.188 1.00 0.00 C ATOM 1047 CG GLU A 65 81.001 -0.404 -13.462 1.00 0.00 C ATOM 1048 CD GLU A 65 81.349 0.766 -14.378 1.00 0.00 C ATOM 1049 OE1 GLU A 65 81.713 0.515 -15.515 1.00 0.00 O ATOM 1050 OE2 GLU A 65 81.247 1.894 -13.927 1.00 0.00 O ATOM 0 H GLU A 65 80.903 -4.246 -14.910 1.00 0.00 H new ATOM 0 HA GLU A 65 81.291 -2.826 -12.337 1.00 0.00 H new ATOM 0 HB2 GLU A 65 82.310 -1.829 -14.424 1.00 0.00 H new ATOM 0 HB3 GLU A 65 80.710 -1.742 -15.134 1.00 0.00 H new ATOM 0 HG2 GLU A 65 79.957 -0.339 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 65 81.603 -0.358 -12.554 1.00 0.00 H new ATOM 1057 N ILE A 66 78.883 -2.621 -11.834 1.00 0.00 N ATOM 1058 CA ILE A 66 77.464 -2.529 -11.509 1.00 0.00 C ATOM 1059 C ILE A 66 77.166 -1.269 -10.698 1.00 0.00 C ATOM 1060 O ILE A 66 77.788 -1.024 -9.665 1.00 0.00 O ATOM 1061 CB ILE A 66 77.031 -3.759 -10.710 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.349 -5.026 -11.510 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.526 -3.688 -10.446 1.00 0.00 C ATOM 1064 CD1 ILE A 66 77.047 -6.264 -10.660 1.00 0.00 C ATOM 0 H ILE A 66 79.511 -2.529 -11.035 1.00 0.00 H new ATOM 0 HA ILE A 66 76.907 -2.481 -12.445 1.00 0.00 H new ATOM 0 HB ILE A 66 77.567 -3.785 -9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.757 -5.048 -12.425 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.397 -5.025 -11.809 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.215 -4.564 -9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.298 -2.786 -9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 66 74.991 -3.664 -11.395 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.275 -7.163 -11.233 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.659 -6.244 -9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 66 75.993 -6.267 -10.384 1.00 0.00 H new ATOM 1076 N ALA A 67 76.200 -0.484 -11.165 1.00 0.00 N ATOM 1077 CA ALA A 67 75.813 0.739 -10.467 1.00 0.00 C ATOM 1078 C ALA A 67 77.028 1.602 -10.145 1.00 0.00 C ATOM 1079 O ALA A 67 77.119 2.177 -9.060 1.00 0.00 O ATOM 1080 CB ALA A 67 75.084 0.385 -9.170 1.00 0.00 C ATOM 0 H ALA A 67 75.673 -0.670 -12.018 1.00 0.00 H new ATOM 0 HA ALA A 67 75.153 1.306 -11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 67 74.797 1.300 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.191 -0.196 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.743 -0.202 -8.531 1.00 0.00 H new ATOM 1086 N GLY A 68 77.950 1.706 -11.094 1.00 0.00 N ATOM 1087 CA GLY A 68 79.142 2.520 -10.894 1.00 0.00 C ATOM 1088 C GLY A 68 80.127 1.848 -9.943 1.00 0.00 C ATOM 1089 O GLY A 68 81.084 2.475 -9.488 1.00 0.00 O ATOM 0 H GLY A 68 77.897 1.242 -12.001 1.00 0.00 H new ATOM 0 HA2 GLY A 68 79.626 2.699 -11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 68 78.856 3.493 -10.495 1.00 0.00 H new ATOM 1093 N HIS A 69 79.895 0.574 -9.647 1.00 0.00 N ATOM 1094 CA HIS A 69 80.781 -0.160 -8.749 1.00 0.00 C ATOM 1095 C HIS A 69 81.469 -1.296 -9.498 1.00 0.00 C ATOM 1096 O HIS A 69 80.829 -2.029 -10.251 1.00 0.00 O ATOM 1097 CB HIS A 69 79.984 -0.723 -7.570 1.00 0.00 C ATOM 1098 CG HIS A 69 80.521 -0.152 -6.287 1.00 0.00 C ATOM 1099 ND1 HIS A 69 81.880 -0.070 -6.027 1.00 0.00 N ATOM 1100 CD2 HIS A 69 79.896 0.371 -5.181 1.00 0.00 C ATOM 1101 CE1 HIS A 69 82.028 0.483 -4.809 1.00 0.00 C ATOM 1102 NE2 HIS A 69 80.849 0.770 -4.249 1.00 0.00 N ATOM 0 H HIS A 69 79.111 0.032 -10.010 1.00 0.00 H new ATOM 0 HA HIS A 69 81.541 0.525 -8.372 1.00 0.00 H new ATOM 0 HB2 HIS A 69 78.928 -0.474 -7.678 1.00 0.00 H new ATOM 0 HB3 HIS A 69 80.055 -1.811 -7.555 1.00 0.00 H new ATOM 0 HD2 HIS A 69 78.827 0.459 -5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 69 82.983 0.672 -4.341 1.00 0.00 H new ATOM 0 HE2 HIS A 69 80.683 1.191 -3.335 1.00 0.00 H new ATOM 1111 N LYS A 70 82.774 -1.435 -9.288 1.00 0.00 N ATOM 1112 CA LYS A 70 83.538 -2.485 -9.955 1.00 0.00 C ATOM 1113 C LYS A 70 83.696 -3.707 -9.055 1.00 0.00 C ATOM 1114 O LYS A 70 83.895 -3.581 -7.847 1.00 0.00 O ATOM 1115 CB LYS A 70 84.919 -1.955 -10.344 1.00 0.00 C ATOM 1116 CG LYS A 70 84.769 -0.881 -11.423 1.00 0.00 C ATOM 1117 CD LYS A 70 86.154 -0.434 -11.894 1.00 0.00 C ATOM 1118 CE LYS A 70 86.006 0.666 -12.946 1.00 0.00 C ATOM 1119 NZ LYS A 70 87.341 1.265 -13.232 1.00 0.00 N ATOM 0 H LYS A 70 83.322 -0.840 -8.667 1.00 0.00 H new ATOM 0 HA LYS A 70 82.992 -2.784 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 70 85.420 -1.539 -9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 70 85.543 -2.770 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 70 84.196 -1.273 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 70 84.215 -0.029 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 70 86.736 -0.067 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 70 86.698 -1.281 -12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 70 85.577 0.254 -13.860 1.00 0.00 H new ATOM 0 HE3 LYS A 70 85.320 1.434 -12.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 87.240 2.013 -13.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 87.733 1.672 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 87.983 0.529 -13.589 1.00 0.00 H new ATOM 1133 N ALA A 71 83.612 -4.889 -9.659 1.00 0.00 N ATOM 1134 CA ALA A 71 83.753 -6.133 -8.910 1.00 0.00 C ATOM 1135 C ALA A 71 84.334 -7.229 -9.800 1.00 0.00 C ATOM 1136 O ALA A 71 84.135 -7.225 -11.015 1.00 0.00 O ATOM 1137 CB ALA A 71 82.391 -6.576 -8.373 1.00 0.00 C ATOM 0 H ALA A 71 83.448 -5.011 -10.658 1.00 0.00 H new ATOM 0 HA ALA A 71 84.432 -5.960 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.505 -7.505 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.991 -5.804 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.706 -6.734 -9.206 1.00 0.00 H new ATOM 1143 N ILE A 72 85.053 -8.166 -9.187 1.00 0.00 N ATOM 1144 CA ILE A 72 85.657 -9.264 -9.936 1.00 0.00 C ATOM 1145 C ILE A 72 85.214 -10.605 -9.364 1.00 0.00 C ATOM 1146 O ILE A 72 85.177 -10.788 -8.147 1.00 0.00 O ATOM 1147 CB ILE A 72 87.185 -9.158 -9.878 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.808 -10.237 -10.766 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.663 -9.356 -8.439 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.289 -9.920 -10.991 1.00 0.00 C ATOM 0 H ILE A 72 85.230 -8.187 -8.183 1.00 0.00 H new ATOM 0 HA ILE A 72 85.329 -9.198 -10.974 1.00 0.00 H new ATOM 0 HB ILE A 72 87.487 -8.172 -10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.702 -11.215 -10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.286 -10.283 -11.722 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.750 -9.280 -8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.224 -8.589 -7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.356 -10.341 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.734 -10.688 -11.624 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.383 -8.950 -11.478 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.806 -9.896 -10.032 1.00 0.00 H new ATOM 1162 N GLY A 73 84.877 -11.543 -10.245 1.00 0.00 N ATOM 1163 CA GLY A 73 84.438 -12.859 -9.792 1.00 0.00 C ATOM 1164 C GLY A 73 83.979 -13.737 -10.952 1.00 0.00 C ATOM 1165 O GLY A 73 84.119 -13.373 -12.120 1.00 0.00 O ATOM 0 H GLY A 73 84.898 -11.421 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 73 85.255 -13.352 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.622 -12.744 -9.079 1.00 0.00 H new ATOM 1169 N THR A 74 83.432 -14.901 -10.609 1.00 0.00 N ATOM 1170 CA THR A 74 82.947 -15.850 -11.607 1.00 0.00 C ATOM 1171 C THR A 74 81.634 -15.372 -12.217 1.00 0.00 C ATOM 1172 O THR A 74 80.741 -14.907 -11.507 1.00 0.00 O ATOM 1173 CB THR A 74 82.742 -17.219 -10.948 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.968 -17.653 -10.377 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.272 -18.238 -11.987 1.00 0.00 C ATOM 0 H THR A 74 83.314 -15.210 -9.644 1.00 0.00 H new ATOM 0 HA THR A 74 83.687 -15.929 -12.403 1.00 0.00 H new ATOM 0 HB THR A 74 81.983 -17.132 -10.170 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.840 -18.527 -9.953 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.130 -19.207 -11.508 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.329 -17.906 -12.422 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.022 -18.329 -12.773 1.00 0.00 H new ATOM 1183 N VAL A 75 81.520 -15.495 -13.536 1.00 0.00 N ATOM 1184 CA VAL A 75 80.307 -15.079 -14.230 1.00 0.00 C ATOM 1185 C VAL A 75 79.898 -16.121 -15.269 1.00 0.00 C ATOM 1186 O VAL A 75 80.499 -16.217 -16.341 1.00 0.00 O ATOM 1187 CB VAL A 75 80.537 -13.729 -14.914 1.00 0.00 C ATOM 1188 CG1 VAL A 75 81.939 -13.698 -15.526 1.00 0.00 C ATOM 1189 CG2 VAL A 75 79.498 -13.529 -16.017 1.00 0.00 C ATOM 0 H VAL A 75 82.247 -15.876 -14.141 1.00 0.00 H new ATOM 0 HA VAL A 75 79.505 -14.983 -13.499 1.00 0.00 H new ATOM 0 HB VAL A 75 80.443 -12.931 -14.177 1.00 0.00 H new ATOM 0 HG11 VAL A 75 82.102 -12.737 -16.013 1.00 0.00 H new ATOM 0 HG12 VAL A 75 82.682 -13.838 -14.741 1.00 0.00 H new ATOM 0 HG13 VAL A 75 82.033 -14.497 -16.261 1.00 0.00 H new ATOM 0 HG21 VAL A 75 79.663 -12.567 -16.503 1.00 0.00 H new ATOM 0 HG22 VAL A 75 79.590 -14.328 -16.753 1.00 0.00 H new ATOM 0 HG23 VAL A 75 78.498 -13.549 -15.583 1.00 0.00 H new ATOM 1199 N LEU A 76 78.899 -16.929 -14.924 1.00 0.00 N ATOM 1200 CA LEU A 76 78.440 -17.989 -15.816 1.00 0.00 C ATOM 1201 C LEU A 76 77.906 -17.435 -17.134 1.00 0.00 C ATOM 1202 O LEU A 76 77.069 -16.532 -17.158 1.00 0.00 O ATOM 1203 CB LEU A 76 77.333 -18.798 -15.136 1.00 0.00 C ATOM 1204 CG LEU A 76 77.914 -19.588 -13.962 1.00 0.00 C ATOM 1205 CD1 LEU A 76 78.263 -18.639 -12.812 1.00 0.00 C ATOM 1206 CD2 LEU A 76 76.882 -20.612 -13.481 1.00 0.00 C ATOM 0 H LEU A 76 78.395 -16.871 -14.039 1.00 0.00 H new ATOM 0 HA LEU A 76 79.299 -18.624 -16.033 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.547 -18.131 -14.783 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.875 -19.479 -15.853 1.00 0.00 H new ATOM 0 HG LEU A 76 78.819 -20.100 -14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 76 78.676 -19.211 -11.981 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.999 -17.910 -13.152 1.00 0.00 H new ATOM 0 HD13 LEU A 76 77.363 -18.119 -12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 76 77.293 -21.177 -12.644 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.978 -20.094 -13.160 1.00 0.00 H new ATOM 0 HD23 LEU A 76 76.640 -21.295 -14.296 1.00 0.00 H new ATOM 1218 N VAL A 77 78.396 -18.010 -18.226 1.00 0.00 N ATOM 1219 CA VAL A 77 77.970 -17.602 -19.558 1.00 0.00 C ATOM 1220 C VAL A 77 77.123 -18.701 -20.189 1.00 0.00 C ATOM 1221 O VAL A 77 77.520 -19.865 -20.205 1.00 0.00 O ATOM 1222 CB VAL A 77 79.188 -17.317 -20.438 1.00 0.00 C ATOM 1223 CG1 VAL A 77 78.723 -16.794 -21.799 1.00 0.00 C ATOM 1224 CG2 VAL A 77 80.064 -16.261 -19.760 1.00 0.00 C ATOM 0 H VAL A 77 79.088 -18.759 -18.215 1.00 0.00 H new ATOM 0 HA VAL A 77 77.375 -16.693 -19.474 1.00 0.00 H new ATOM 0 HB VAL A 77 79.760 -18.234 -20.578 1.00 0.00 H new ATOM 0 HG11 VAL A 77 79.591 -16.591 -22.426 1.00 0.00 H new ATOM 0 HG12 VAL A 77 78.094 -17.543 -22.281 1.00 0.00 H new ATOM 0 HG13 VAL A 77 78.152 -15.876 -21.660 1.00 0.00 H new ATOM 0 HG21 VAL A 77 80.934 -16.055 -20.384 1.00 0.00 H new ATOM 0 HG22 VAL A 77 79.490 -15.345 -19.624 1.00 0.00 H new ATOM 0 HG23 VAL A 77 80.394 -16.631 -18.789 1.00 0.00 H new ATOM 1234 N GLY A 78 75.952 -18.330 -20.703 1.00 0.00 N ATOM 1235 CA GLY A 78 75.060 -19.309 -21.320 1.00 0.00 C ATOM 1236 C GLY A 78 74.528 -18.811 -22.662 1.00 0.00 C ATOM 1237 O GLY A 78 74.632 -17.628 -22.986 1.00 0.00 O ATOM 0 H GLY A 78 75.602 -17.372 -20.705 1.00 0.00 H new ATOM 0 HA2 GLY A 78 75.593 -20.249 -21.464 1.00 0.00 H new ATOM 0 HA3 GLY A 78 74.225 -19.516 -20.650 1.00 0.00 H new ATOM 1241 N PRO A 79 73.971 -19.700 -23.439 1.00 0.00 N ATOM 1242 CA PRO A 79 73.411 -19.371 -24.785 1.00 0.00 C ATOM 1243 C PRO A 79 72.189 -18.451 -24.718 1.00 0.00 C ATOM 1244 O PRO A 79 71.834 -17.811 -25.708 1.00 0.00 O ATOM 1245 CB PRO A 79 73.032 -20.732 -25.374 1.00 0.00 C ATOM 1246 CG PRO A 79 72.891 -21.655 -24.210 1.00 0.00 C ATOM 1247 CD PRO A 79 73.813 -21.125 -23.114 1.00 0.00 C ATOM 0 HA PRO A 79 74.135 -18.823 -25.388 1.00 0.00 H new ATOM 0 HB2 PRO A 79 72.101 -20.668 -25.937 1.00 0.00 H new ATOM 0 HB3 PRO A 79 73.798 -21.087 -26.063 1.00 0.00 H new ATOM 0 HG2 PRO A 79 71.858 -21.687 -23.864 1.00 0.00 H new ATOM 0 HG3 PRO A 79 73.166 -22.673 -24.488 1.00 0.00 H new ATOM 0 HD2 PRO A 79 73.377 -21.263 -22.125 1.00 0.00 H new ATOM 0 HD3 PRO A 79 74.772 -21.643 -23.114 1.00 0.00 H new ATOM 1255 N THR A 80 71.540 -18.403 -23.558 1.00 0.00 N ATOM 1256 CA THR A 80 70.350 -17.572 -23.395 1.00 0.00 C ATOM 1257 C THR A 80 70.677 -16.083 -23.599 1.00 0.00 C ATOM 1258 O THR A 80 71.671 -15.590 -23.067 1.00 0.00 O ATOM 1259 CB THR A 80 69.772 -17.773 -21.992 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.503 -17.139 -21.911 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.718 -17.164 -20.955 1.00 0.00 C ATOM 0 H THR A 80 71.814 -18.924 -22.725 1.00 0.00 H new ATOM 0 HA THR A 80 69.622 -17.872 -24.149 1.00 0.00 H new ATOM 0 HB THR A 80 69.660 -18.839 -21.793 1.00 0.00 H new ATOM 0 HG1 THR A 80 68.130 -17.268 -21.014 1.00 0.00 H new ATOM 0 HG21 THR A 80 70.305 -17.308 -19.957 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.691 -17.652 -21.019 1.00 0.00 H new ATOM 0 HG23 THR A 80 70.833 -16.098 -21.150 1.00 0.00 H new ATOM 1269 N PRO A 81 69.864 -15.355 -24.342 1.00 0.00 N ATOM 1270 CA PRO A 81 70.086 -13.896 -24.588 1.00 0.00 C ATOM 1271 C PRO A 81 69.624 -13.035 -23.411 1.00 0.00 C ATOM 1272 O PRO A 81 69.257 -11.874 -23.590 1.00 0.00 O ATOM 1273 CB PRO A 81 69.231 -13.615 -25.821 1.00 0.00 C ATOM 1274 CG PRO A 81 68.097 -14.578 -25.723 1.00 0.00 C ATOM 1275 CD PRO A 81 68.648 -15.829 -25.036 1.00 0.00 C ATOM 0 HA PRO A 81 71.141 -13.658 -24.720 1.00 0.00 H new ATOM 0 HB2 PRO A 81 68.876 -12.585 -25.830 1.00 0.00 H new ATOM 0 HB3 PRO A 81 69.799 -13.764 -26.739 1.00 0.00 H new ATOM 0 HG2 PRO A 81 67.274 -14.151 -25.150 1.00 0.00 H new ATOM 0 HG3 PRO A 81 67.706 -14.819 -26.712 1.00 0.00 H new ATOM 0 HD2 PRO A 81 67.927 -16.249 -24.334 1.00 0.00 H new ATOM 0 HD3 PRO A 81 68.881 -16.611 -25.759 1.00 0.00 H new ATOM 1283 N VAL A 82 69.621 -13.616 -22.215 1.00 0.00 N ATOM 1284 CA VAL A 82 69.175 -12.894 -21.026 1.00 0.00 C ATOM 1285 C VAL A 82 70.240 -12.884 -19.933 1.00 0.00 C ATOM 1286 O VAL A 82 71.143 -13.724 -19.911 1.00 0.00 O ATOM 1287 CB VAL A 82 67.898 -13.532 -20.481 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.438 -12.769 -19.238 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.803 -13.473 -21.549 1.00 0.00 C ATOM 0 H VAL A 82 69.919 -14.576 -22.043 1.00 0.00 H new ATOM 0 HA VAL A 82 68.984 -11.862 -21.321 1.00 0.00 H new ATOM 0 HB VAL A 82 68.094 -14.571 -20.218 1.00 0.00 H new ATOM 0 HG11 VAL A 82 66.527 -13.223 -18.849 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.218 -12.809 -18.477 1.00 0.00 H new ATOM 0 HG13 VAL A 82 67.241 -11.730 -19.501 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.892 -13.928 -21.161 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.606 -12.434 -21.811 1.00 0.00 H new ATOM 0 HG23 VAL A 82 67.130 -14.016 -22.436 1.00 0.00 H new ATOM 1299 N ASN A 83 70.118 -11.921 -19.023 1.00 0.00 N ATOM 1300 CA ASN A 83 71.059 -11.800 -17.912 1.00 0.00 C ATOM 1301 C ASN A 83 70.305 -11.740 -16.585 1.00 0.00 C ATOM 1302 O ASN A 83 69.368 -10.957 -16.428 1.00 0.00 O ATOM 1303 CB ASN A 83 71.924 -10.546 -18.077 1.00 0.00 C ATOM 1304 CG ASN A 83 72.697 -10.622 -19.388 1.00 0.00 C ATOM 1305 OD1 ASN A 83 73.024 -11.713 -19.853 1.00 0.00 O ATOM 1306 ND2 ASN A 83 73.011 -9.521 -20.016 1.00 0.00 N ATOM 0 H ASN A 83 69.381 -11.216 -19.032 1.00 0.00 H new ATOM 0 HA ASN A 83 71.707 -12.676 -17.913 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.296 -9.655 -18.066 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.617 -10.458 -17.240 1.00 0.00 H new ATOM 0 HD21 ASN A 83 73.528 -9.564 -20.894 1.00 0.00 H new ATOM 0 HD22 ASN A 83 72.739 -8.618 -19.629 1.00 0.00 H new ATOM 1313 N ILE A 84 70.719 -12.571 -15.632 1.00 0.00 N ATOM 1314 CA ILE A 84 70.071 -12.600 -14.323 1.00 0.00 C ATOM 1315 C ILE A 84 71.105 -12.462 -13.209 1.00 0.00 C ATOM 1316 O ILE A 84 72.176 -13.061 -13.272 1.00 0.00 O ATOM 1317 CB ILE A 84 69.303 -13.912 -14.149 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.532 -13.878 -12.827 1.00 0.00 C ATOM 1319 CG2 ILE A 84 70.289 -15.082 -14.132 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.405 -14.911 -12.866 1.00 0.00 C ATOM 0 H ILE A 84 71.492 -13.227 -15.739 1.00 0.00 H new ATOM 0 HA ILE A 84 69.376 -11.762 -14.264 1.00 0.00 H new ATOM 0 HB ILE A 84 68.604 -14.037 -14.976 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.205 -14.090 -11.996 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.121 -12.882 -12.659 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.742 -16.017 -14.008 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.841 -15.106 -15.072 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.987 -14.957 -13.304 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.856 -14.887 -11.925 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.727 -14.679 -13.687 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.827 -15.905 -13.014 1.00 0.00 H new ATOM 1332 N ILE A 85 70.773 -11.671 -12.190 1.00 0.00 N ATOM 1333 CA ILE A 85 71.683 -11.461 -11.065 1.00 0.00 C ATOM 1334 C ILE A 85 71.150 -12.144 -9.808 1.00 0.00 C ATOM 1335 O ILE A 85 69.952 -12.093 -9.523 1.00 0.00 O ATOM 1336 CB ILE A 85 71.842 -9.962 -10.799 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.210 -9.242 -12.101 1.00 0.00 C ATOM 1338 CG2 ILE A 85 72.949 -9.742 -9.766 1.00 0.00 C ATOM 1339 CD1 ILE A 85 73.407 -9.934 -12.756 1.00 0.00 C ATOM 0 H ILE A 85 69.888 -11.169 -12.120 1.00 0.00 H new ATOM 0 HA ILE A 85 72.651 -11.894 -11.319 1.00 0.00 H new ATOM 0 HB ILE A 85 70.902 -9.562 -10.418 1.00 0.00 H new ATOM 0 HG12 ILE A 85 71.359 -9.245 -12.782 1.00 0.00 H new ATOM 0 HG13 ILE A 85 72.449 -8.199 -11.895 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.063 -8.675 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.687 -10.250 -8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 85 73.887 -10.145 -10.147 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.664 -9.418 -13.681 1.00 0.00 H new ATOM 0 HD12 ILE A 85 74.259 -9.907 -12.077 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.152 -10.970 -12.978 1.00 0.00 H new ATOM 1351 N GLY A 86 72.045 -12.788 -9.061 1.00 0.00 N ATOM 1352 CA GLY A 86 71.646 -13.485 -7.840 1.00 0.00 C ATOM 1353 C GLY A 86 72.726 -13.393 -6.762 1.00 0.00 C ATOM 1354 O GLY A 86 73.530 -12.455 -6.745 1.00 0.00 O ATOM 0 H GLY A 86 73.041 -12.842 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.717 -13.057 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.446 -14.532 -8.067 1.00 0.00 H new ATOM 1358 N ARG A 87 72.732 -14.374 -5.860 1.00 0.00 N ATOM 1359 CA ARG A 87 73.706 -14.398 -4.773 1.00 0.00 C ATOM 1360 C ARG A 87 75.059 -13.932 -5.278 1.00 0.00 C ATOM 1361 O ARG A 87 75.791 -13.240 -4.570 1.00 0.00 O ATOM 1362 CB ARG A 87 73.830 -15.814 -4.206 1.00 0.00 C ATOM 1363 CG ARG A 87 74.758 -15.803 -2.989 1.00 0.00 C ATOM 1364 CD ARG A 87 74.858 -17.218 -2.416 1.00 0.00 C ATOM 1365 NE ARG A 87 75.571 -18.086 -3.346 1.00 0.00 N ATOM 1366 CZ ARG A 87 76.045 -19.265 -2.960 1.00 0.00 C ATOM 1367 NH1 ARG A 87 75.869 -19.669 -1.732 1.00 0.00 N ATOM 1368 NH2 ARG A 87 76.685 -20.019 -3.812 1.00 0.00 N ATOM 0 H ARG A 87 72.078 -15.157 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 87 73.365 -13.727 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.847 -16.190 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 87 74.221 -16.488 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 87 75.747 -15.443 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 87 74.376 -15.118 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 87 75.377 -17.195 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 87 73.860 -17.614 -2.229 1.00 0.00 H new ATOM 0 HE ARG A 87 75.708 -17.782 -4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 87 75.367 -19.079 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 87 76.233 -20.575 -1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 87 76.820 -19.702 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 87 77.050 -20.925 -3.518 1.00 0.00 H new ATOM 1382 N ASN A 88 75.378 -14.288 -6.514 1.00 0.00 N ATOM 1383 CA ASN A 88 76.636 -13.865 -7.098 1.00 0.00 C ATOM 1384 C ASN A 88 76.602 -12.356 -7.297 1.00 0.00 C ATOM 1385 O ASN A 88 75.564 -11.793 -7.641 1.00 0.00 O ATOM 1386 CB ASN A 88 76.866 -14.570 -8.437 1.00 0.00 C ATOM 1387 CG ASN A 88 77.904 -15.676 -8.271 1.00 0.00 C ATOM 1388 OD1 ASN A 88 77.719 -16.783 -8.780 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.991 -15.443 -7.588 1.00 0.00 N ATOM 0 H ASN A 88 74.791 -14.860 -7.122 1.00 0.00 H new ATOM 0 HA ASN A 88 77.456 -14.130 -6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 88 75.929 -14.991 -8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 88 77.204 -13.851 -9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.689 -16.178 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 88 79.142 -14.526 -7.167 1.00 0.00 H new ATOM 1396 N LEU A 89 77.745 -11.716 -7.101 1.00 0.00 N ATOM 1397 CA LEU A 89 77.850 -10.273 -7.274 1.00 0.00 C ATOM 1398 C LEU A 89 76.895 -9.514 -6.346 1.00 0.00 C ATOM 1399 O LEU A 89 77.263 -8.478 -5.790 1.00 0.00 O ATOM 1400 CB LEU A 89 77.546 -9.908 -8.726 1.00 0.00 C ATOM 1401 CG LEU A 89 78.470 -10.694 -9.660 1.00 0.00 C ATOM 1402 CD1 LEU A 89 78.205 -10.273 -11.107 1.00 0.00 C ATOM 1403 CD2 LEU A 89 79.930 -10.400 -9.309 1.00 0.00 C ATOM 0 H LEU A 89 78.614 -12.172 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 89 78.868 -9.981 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 89 76.504 -10.131 -8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 89 77.684 -8.838 -8.879 1.00 0.00 H new ATOM 0 HG LEU A 89 78.277 -11.761 -9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.862 -10.831 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 89 77.166 -10.482 -11.362 1.00 0.00 H new ATOM 0 HD13 LEU A 89 78.398 -9.206 -11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 89 80.585 -10.961 -9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 89 80.124 -9.333 -9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 89 80.123 -10.696 -8.278 1.00 0.00 H new ATOM 1415 N LEU A 90 75.669 -10.013 -6.187 1.00 0.00 N ATOM 1416 CA LEU A 90 74.696 -9.339 -5.330 1.00 0.00 C ATOM 1417 C LEU A 90 75.241 -9.172 -3.913 1.00 0.00 C ATOM 1418 O LEU A 90 75.108 -8.106 -3.315 1.00 0.00 O ATOM 1419 CB LEU A 90 73.390 -10.142 -5.294 1.00 0.00 C ATOM 1420 CG LEU A 90 72.333 -9.401 -4.462 1.00 0.00 C ATOM 1421 CD1 LEU A 90 71.836 -8.168 -5.223 1.00 0.00 C ATOM 1422 CD2 LEU A 90 71.153 -10.339 -4.200 1.00 0.00 C ATOM 0 H LEU A 90 75.331 -10.866 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 90 74.503 -8.349 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 90 73.022 -10.297 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 90 73.573 -11.128 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 90 72.777 -9.085 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 90 71.087 -7.649 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 90 72.674 -7.498 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 90 71.393 -8.479 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 90 70.399 -9.819 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.719 -10.651 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 90 71.500 -11.216 -3.654 1.00 0.00 H new ATOM 1434 N THR A 91 75.843 -10.226 -3.372 1.00 0.00 N ATOM 1435 CA THR A 91 76.386 -10.160 -2.020 1.00 0.00 C ATOM 1436 C THR A 91 77.683 -9.355 -1.985 1.00 0.00 C ATOM 1437 O THR A 91 77.985 -8.696 -0.990 1.00 0.00 O ATOM 1438 CB THR A 91 76.647 -11.573 -1.491 1.00 0.00 C ATOM 1439 OG1 THR A 91 77.629 -12.206 -2.300 1.00 0.00 O ATOM 1440 CG2 THR A 91 75.351 -12.383 -1.528 1.00 0.00 C ATOM 0 H THR A 91 75.966 -11.124 -3.841 1.00 0.00 H new ATOM 0 HA THR A 91 75.652 -9.661 -1.387 1.00 0.00 H new ATOM 0 HB THR A 91 77.005 -11.516 -0.463 1.00 0.00 H new ATOM 0 HG1 THR A 91 77.202 -12.586 -3.096 1.00 0.00 H new ATOM 0 HG21 THR A 91 75.539 -13.388 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 91 74.600 -11.897 -0.905 1.00 0.00 H new ATOM 0 HG23 THR A 91 74.988 -12.442 -2.554 1.00 0.00 H new ATOM 1448 N GLN A 92 78.451 -9.420 -3.068 1.00 0.00 N ATOM 1449 CA GLN A 92 79.718 -8.699 -3.133 1.00 0.00 C ATOM 1450 C GLN A 92 79.499 -7.189 -3.085 1.00 0.00 C ATOM 1451 O GLN A 92 80.142 -6.486 -2.304 1.00 0.00 O ATOM 1452 CB GLN A 92 80.457 -9.067 -4.420 1.00 0.00 C ATOM 1453 CG GLN A 92 81.853 -8.444 -4.403 1.00 0.00 C ATOM 1454 CD GLN A 92 82.610 -8.839 -5.666 1.00 0.00 C ATOM 1455 OE1 GLN A 92 82.134 -9.668 -6.442 1.00 0.00 O ATOM 1456 NE2 GLN A 92 83.767 -8.294 -5.921 1.00 0.00 N ATOM 0 H GLN A 92 78.222 -9.958 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 92 80.315 -8.986 -2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 92 80.532 -10.151 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.899 -8.712 -5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.776 -7.359 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 92 82.400 -8.778 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 92 84.160 -7.607 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 92 84.279 -8.554 -6.764 1.00 0.00 H new ATOM 1465 N ILE A 93 78.591 -6.693 -3.921 1.00 0.00 N ATOM 1466 CA ILE A 93 78.305 -5.262 -3.954 1.00 0.00 C ATOM 1467 C ILE A 93 77.620 -4.817 -2.666 1.00 0.00 C ATOM 1468 O ILE A 93 77.736 -3.663 -2.256 1.00 0.00 O ATOM 1469 CB ILE A 93 77.418 -4.923 -5.155 1.00 0.00 C ATOM 1470 CG1 ILE A 93 77.445 -3.411 -5.395 1.00 0.00 C ATOM 1471 CG2 ILE A 93 75.982 -5.365 -4.876 1.00 0.00 C ATOM 1472 CD1 ILE A 93 76.763 -3.095 -6.725 1.00 0.00 C ATOM 0 H ILE A 93 78.047 -7.253 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 93 79.252 -4.731 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 93 77.791 -5.442 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 93 76.937 -2.894 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 93 78.474 -3.052 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 93 75.354 -5.122 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 93 75.960 -6.441 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 93 75.607 -4.848 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 93 76.782 -2.019 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 93 77.291 -3.601 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 93 75.729 -3.440 -6.695 1.00 0.00 H new ATOM 1484 N GLY A 94 76.902 -5.741 -2.034 1.00 0.00 N ATOM 1485 CA GLY A 94 76.198 -5.431 -0.795 1.00 0.00 C ATOM 1486 C GLY A 94 74.829 -4.823 -1.088 1.00 0.00 C ATOM 1487 O GLY A 94 74.327 -4.914 -2.209 1.00 0.00 O ATOM 0 H GLY A 94 76.793 -6.703 -2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 94 76.079 -6.338 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 94 76.790 -4.736 -0.199 1.00 0.00 H new ATOM 1491 N ALA A 95 74.230 -4.203 -0.076 1.00 0.00 N ATOM 1492 CA ALA A 95 72.919 -3.585 -0.243 1.00 0.00 C ATOM 1493 C ALA A 95 72.945 -2.136 0.233 1.00 0.00 C ATOM 1494 O ALA A 95 72.176 -1.810 1.121 1.00 0.00 O ATOM 1495 CB ALA A 95 71.866 -4.362 0.549 1.00 0.00 C ATOM 1496 OXT ALA A 95 73.735 -1.373 -0.299 1.00 0.00 O ATOM 0 H ALA A 95 74.627 -4.115 0.860 1.00 0.00 H new ATOM 0 HA ALA A 95 72.664 -3.606 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 95 70.891 -3.892 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 95 71.825 -5.390 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 95 72.130 -4.359 1.606 1.00 0.00 H new TER 1502 ALA A 95