USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 739 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 53 SER OG : rot -31:sc= -0.115 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.972 X(o=-1.1,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.00472 (180deg=0.00472) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -100:sc= 1.28 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 13 SER OG : rot 180:sc= -0.293 USER MOD Single : A 16 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0727 X(o=-0.073,f=-0.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -1.13 (180deg=-1.88!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0647 K(o=-0.065,f=-3.1!) USER MOD Single : A 68 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.21) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 31:sc= -0.286 USER MOD Single : A 85 SER OG : rot -110:sc= -1.88! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.3) USER MOD Single : A 99 HIS : no HE2:sc= -6.12! C(o=-6.1!,f=-6!) USER MOD Single : A 100 SER OG : rot -40:sc= 0.85 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 20:sc= 0.198 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.618 6.903 0.777 1.00 22.44 N ATOM 2 CA MET A 1 -17.018 7.792 -0.211 1.00 25.41 C ATOM 3 C MET A 1 -15.760 7.170 -0.810 1.00 72.12 C ATOM 4 O MET A 1 -15.596 7.131 -2.030 1.00 30.13 O ATOM 5 CB MET A 1 -16.679 9.141 0.424 1.00 51.41 C ATOM 6 CG MET A 1 -17.881 10.060 0.575 1.00 20.24 C ATOM 7 SD MET A 1 -18.675 9.906 2.188 1.00 64.32 S ATOM 8 CE MET A 1 -19.694 11.379 2.205 1.00 32.32 C ATOM 0 H1 MET A 1 -18.472 7.347 1.171 1.00 22.44 H new ATOM 0 H2 MET A 1 -17.874 6.003 0.324 1.00 22.44 H new ATOM 0 H3 MET A 1 -16.937 6.724 1.542 1.00 22.44 H new ATOM 0 HA MET A 1 -17.743 7.946 -1.011 1.00 25.41 H new ATOM 0 HB2 MET A 1 -16.237 8.971 1.405 1.00 51.41 H new ATOM 0 HB3 MET A 1 -15.924 9.640 -0.184 1.00 51.41 H new ATOM 0 HG2 MET A 1 -17.565 11.093 0.427 1.00 20.24 H new ATOM 0 HG3 MET A 1 -18.607 9.834 -0.206 1.00 20.24 H new ATOM 0 HE1 MET A 1 -20.249 11.427 3.142 1.00 32.32 H new ATOM 0 HE2 MET A 1 -19.060 12.261 2.114 1.00 32.32 H new ATOM 0 HE3 MET A 1 -20.394 11.347 1.370 1.00 32.32 H new ATOM 16 N ASP A 2 -14.876 6.685 0.054 1.00 0.11 N ATOM 17 CA ASP A 2 -13.633 6.064 -0.390 1.00 5.21 C ATOM 18 C ASP A 2 -12.806 7.039 -1.221 1.00 21.33 C ATOM 19 O ASP A 2 -12.760 6.943 -2.448 1.00 21.03 O ATOM 20 CB ASP A 2 -13.931 4.803 -1.204 1.00 44.14 C ATOM 21 CG ASP A 2 -14.622 3.734 -0.383 1.00 31.11 C ATOM 22 OD1 ASP A 2 -14.621 3.846 0.861 1.00 61.31 O ATOM 23 OD2 ASP A 2 -15.165 2.783 -0.984 1.00 51.45 O ATOM 0 H ASP A 2 -14.997 6.710 1.067 1.00 0.11 H new ATOM 0 HA ASP A 2 -13.056 5.788 0.493 1.00 5.21 H new ATOM 0 HB2 ASP A 2 -14.558 5.064 -2.056 1.00 44.14 H new ATOM 0 HB3 ASP A 2 -12.999 4.404 -1.604 1.00 44.14 H new ATOM 27 N THR A 3 -12.151 7.979 -0.545 1.00 15.24 N ATOM 28 CA THR A 3 -11.328 8.973 -1.221 1.00 25.41 C ATOM 29 C THR A 3 -9.873 8.875 -0.775 1.00 63.14 C ATOM 30 O THR A 3 -9.573 8.324 0.284 1.00 54.45 O ATOM 31 CB THR A 3 -11.839 10.401 -0.955 1.00 72.43 C ATOM 32 OG1 THR A 3 -12.704 10.408 0.186 1.00 33.42 O ATOM 33 CG2 THR A 3 -12.585 10.941 -2.166 1.00 45.25 C ATOM 0 H THR A 3 -12.175 8.072 0.470 1.00 15.24 H new ATOM 0 HA THR A 3 -11.394 8.765 -2.289 1.00 25.41 H new ATOM 0 HB THR A 3 -10.979 11.041 -0.761 1.00 72.43 H new ATOM 0 HG1 THR A 3 -13.023 11.320 0.349 1.00 33.42 H new ATOM 0 HG21 THR A 3 -12.937 11.951 -1.956 1.00 45.25 H new ATOM 0 HG22 THR A 3 -11.916 10.962 -3.026 1.00 45.25 H new ATOM 0 HG23 THR A 3 -13.437 10.298 -2.385 1.00 45.25 H new ATOM 41 N SER A 4 -8.972 9.414 -1.591 1.00 62.01 N ATOM 42 CA SER A 4 -7.547 9.385 -1.282 1.00 2.23 C ATOM 43 C SER A 4 -7.268 10.053 0.061 1.00 51.24 C ATOM 44 O SER A 4 -6.373 9.642 0.800 1.00 15.35 O ATOM 45 CB SER A 4 -6.749 10.082 -2.385 1.00 75.52 C ATOM 46 OG SER A 4 -7.477 11.169 -2.932 1.00 22.24 O ATOM 0 H SER A 4 -9.204 9.876 -2.471 1.00 62.01 H new ATOM 0 HA SER A 4 -7.236 8.342 -1.222 1.00 2.23 H new ATOM 0 HB2 SER A 4 -5.802 10.441 -1.982 1.00 75.52 H new ATOM 0 HB3 SER A 4 -6.510 9.367 -3.172 1.00 75.52 H new ATOM 0 HG SER A 4 -7.893 10.893 -3.775 1.00 22.24 H new ATOM 51 N LYS A 5 -8.042 11.089 0.370 1.00 4.35 N ATOM 52 CA LYS A 5 -7.882 11.816 1.625 1.00 21.12 C ATOM 53 C LYS A 5 -8.238 10.932 2.815 1.00 5.42 C ATOM 54 O LYS A 5 -7.741 11.136 3.923 1.00 23.21 O ATOM 55 CB LYS A 5 -8.759 13.070 1.626 1.00 11.41 C ATOM 56 CG LYS A 5 -10.248 12.771 1.605 1.00 53.00 C ATOM 57 CD LYS A 5 -10.999 13.741 0.708 1.00 34.34 C ATOM 58 CE LYS A 5 -12.181 14.368 1.432 1.00 42.12 C ATOM 59 NZ LYS A 5 -12.938 15.301 0.552 1.00 34.11 N ATOM 0 H LYS A 5 -8.786 11.444 -0.231 1.00 4.35 H new ATOM 0 HA LYS A 5 -6.837 12.111 1.715 1.00 21.12 H new ATOM 0 HB2 LYS A 5 -8.529 13.664 2.511 1.00 11.41 H new ATOM 0 HB3 LYS A 5 -8.507 13.680 0.758 1.00 11.41 H new ATOM 0 HG2 LYS A 5 -10.410 11.751 1.256 1.00 53.00 H new ATOM 0 HG3 LYS A 5 -10.646 12.828 2.618 1.00 53.00 H new ATOM 0 HD2 LYS A 5 -10.321 14.524 0.369 1.00 34.34 H new ATOM 0 HD3 LYS A 5 -11.351 13.218 -0.181 1.00 34.34 H new ATOM 0 HE2 LYS A 5 -12.848 13.582 1.787 1.00 42.12 H new ATOM 0 HE3 LYS A 5 -11.825 14.906 2.311 1.00 42.12 H new ATOM 0 HZ1 LYS A 5 -13.735 15.708 1.082 1.00 34.11 H new ATOM 0 HZ2 LYS A 5 -12.309 16.065 0.233 1.00 34.11 H new ATOM 0 HZ3 LYS A 5 -13.299 14.783 -0.274 1.00 34.11 H new ATOM 69 N PHE A 6 -9.101 9.949 2.581 1.00 71.24 N ATOM 70 CA PHE A 6 -9.524 9.034 3.634 1.00 23.52 C ATOM 71 C PHE A 6 -8.588 7.830 3.715 1.00 51.42 C ATOM 72 O PHE A 6 -8.455 7.205 4.767 1.00 35.40 O ATOM 73 CB PHE A 6 -10.958 8.563 3.386 1.00 70.10 C ATOM 74 CG PHE A 6 -11.865 8.758 4.566 1.00 3.15 C ATOM 75 CD1 PHE A 6 -11.566 8.181 5.790 1.00 62.32 C ATOM 76 CD2 PHE A 6 -13.018 9.518 4.453 1.00 50.30 C ATOM 77 CE1 PHE A 6 -12.397 8.359 6.879 1.00 54.54 C ATOM 78 CE2 PHE A 6 -13.854 9.699 5.539 1.00 75.25 C ATOM 79 CZ PHE A 6 -13.545 9.118 6.752 1.00 10.13 C ATOM 0 H PHE A 6 -9.521 9.766 1.670 1.00 71.24 H new ATOM 0 HA PHE A 6 -9.485 9.569 4.583 1.00 23.52 H new ATOM 0 HB2 PHE A 6 -11.366 9.102 2.531 1.00 70.10 H new ATOM 0 HB3 PHE A 6 -10.944 7.506 3.119 1.00 70.10 H new ATOM 0 HD1 PHE A 6 -10.672 7.584 5.894 1.00 62.32 H new ATOM 0 HD2 PHE A 6 -13.266 9.974 3.506 1.00 50.30 H new ATOM 0 HE1 PHE A 6 -12.150 7.906 7.828 1.00 54.54 H new ATOM 0 HE2 PHE A 6 -14.749 10.295 5.438 1.00 75.25 H new ATOM 0 HZ PHE A 6 -14.199 9.256 7.600 1.00 10.13 H new ATOM 88 N TRP A 7 -7.945 7.512 2.598 1.00 44.52 N ATOM 89 CA TRP A 7 -7.023 6.384 2.542 1.00 32.51 C ATOM 90 C TRP A 7 -5.587 6.841 2.776 1.00 71.23 C ATOM 91 O TRP A 7 -4.670 6.024 2.851 1.00 35.52 O ATOM 92 CB TRP A 7 -7.132 5.677 1.191 1.00 74.41 C ATOM 93 CG TRP A 7 -8.196 4.621 1.156 1.00 25.34 C ATOM 94 CD1 TRP A 7 -9.202 4.501 0.241 1.00 1.23 C ATOM 95 CD2 TRP A 7 -8.358 3.538 2.078 1.00 44.51 C ATOM 96 NE1 TRP A 7 -9.981 3.409 0.539 1.00 1.14 N ATOM 97 CE2 TRP A 7 -9.484 2.801 1.662 1.00 62.52 C ATOM 98 CE3 TRP A 7 -7.661 3.119 3.215 1.00 35.22 C ATOM 99 CZ2 TRP A 7 -9.926 1.670 2.343 1.00 1.11 C ATOM 100 CZ3 TRP A 7 -8.102 1.997 3.890 1.00 21.22 C ATOM 101 CH2 TRP A 7 -9.225 1.282 3.452 1.00 11.54 C ATOM 0 H TRP A 7 -8.045 8.019 1.719 1.00 44.52 H new ATOM 0 HA TRP A 7 -7.295 5.685 3.333 1.00 32.51 H new ATOM 0 HB2 TRP A 7 -7.339 6.417 0.418 1.00 74.41 H new ATOM 0 HB3 TRP A 7 -6.171 5.223 0.948 1.00 74.41 H new ATOM 0 HD1 TRP A 7 -9.362 5.167 -0.594 1.00 1.23 H new ATOM 0 HE1 TRP A 7 -10.797 3.101 0.010 1.00 1.14 H new ATOM 0 HE3 TRP A 7 -6.794 3.662 3.560 1.00 35.22 H new ATOM 0 HZ2 TRP A 7 -10.792 1.118 2.008 1.00 1.11 H new ATOM 0 HZ3 TRP A 7 -7.572 1.665 4.771 1.00 21.22 H new ATOM 0 HH2 TRP A 7 -9.543 0.408 4.001 1.00 11.54 H new ATOM 111 N TYR A 8 -5.400 8.151 2.891 1.00 73.22 N ATOM 112 CA TYR A 8 -4.074 8.717 3.114 1.00 11.34 C ATOM 113 C TYR A 8 -3.972 9.332 4.507 1.00 31.25 C ATOM 114 O TYR A 8 -4.576 10.367 4.788 1.00 2.53 O ATOM 115 CB TYR A 8 -3.763 9.774 2.054 1.00 23.45 C ATOM 116 CG TYR A 8 -2.495 10.552 2.328 1.00 33.14 C ATOM 117 CD1 TYR A 8 -1.342 9.909 2.760 1.00 32.34 C ATOM 118 CD2 TYR A 8 -2.452 11.930 2.155 1.00 4.11 C ATOM 119 CE1 TYR A 8 -0.182 10.615 3.012 1.00 51.34 C ATOM 120 CE2 TYR A 8 -1.296 12.645 2.404 1.00 11.15 C ATOM 121 CZ TYR A 8 -0.164 11.983 2.833 1.00 32.43 C ATOM 122 OH TYR A 8 0.990 12.690 3.082 1.00 40.33 O ATOM 0 H TYR A 8 -6.149 8.841 2.834 1.00 73.22 H new ATOM 0 HA TYR A 8 -3.345 7.910 3.038 1.00 11.34 H new ATOM 0 HB2 TYR A 8 -3.678 9.288 1.082 1.00 23.45 H new ATOM 0 HB3 TYR A 8 -4.600 10.470 1.990 1.00 23.45 H new ATOM 0 HD1 TYR A 8 -1.353 8.838 2.901 1.00 32.34 H new ATOM 0 HD2 TYR A 8 -3.337 12.451 1.820 1.00 4.11 H new ATOM 0 HE1 TYR A 8 0.706 10.099 3.347 1.00 51.34 H new ATOM 0 HE2 TYR A 8 -1.279 13.716 2.264 1.00 11.15 H new ATOM 0 HH TYR A 8 0.835 13.642 2.906 1.00 40.33 H new ATOM 131 N LYS A 9 -3.203 8.686 5.376 1.00 23.35 N ATOM 132 CA LYS A 9 -3.017 9.168 6.740 1.00 33.13 C ATOM 133 C LYS A 9 -1.572 8.981 7.191 1.00 10.42 C ATOM 134 O LYS A 9 -1.098 7.861 7.392 1.00 54.44 O ATOM 135 CB LYS A 9 -3.960 8.432 7.695 1.00 31.11 C ATOM 136 CG LYS A 9 -5.413 8.854 7.560 1.00 60.12 C ATOM 137 CD LYS A 9 -5.641 10.254 8.107 1.00 21.35 C ATOM 138 CE LYS A 9 -7.095 10.469 8.495 1.00 42.51 C ATOM 139 NZ LYS A 9 -7.296 11.772 9.189 1.00 11.32 N ATOM 0 H LYS A 9 -2.698 7.827 5.160 1.00 23.35 H new ATOM 0 HA LYS A 9 -3.249 10.233 6.758 1.00 33.13 H new ATOM 0 HB2 LYS A 9 -3.883 7.360 7.514 1.00 31.11 H new ATOM 0 HB3 LYS A 9 -3.634 8.606 8.720 1.00 31.11 H new ATOM 0 HG2 LYS A 9 -5.707 8.820 6.511 1.00 60.12 H new ATOM 0 HG3 LYS A 9 -6.049 8.147 8.092 1.00 60.12 H new ATOM 0 HD2 LYS A 9 -5.003 10.415 8.976 1.00 21.35 H new ATOM 0 HD3 LYS A 9 -5.350 10.991 7.358 1.00 21.35 H new ATOM 0 HE2 LYS A 9 -7.719 10.433 7.602 1.00 42.51 H new ATOM 0 HE3 LYS A 9 -7.422 9.657 9.145 1.00 42.51 H new ATOM 0 HZ1 LYS A 9 -8.300 11.882 9.437 1.00 11.32 H new ATOM 0 HZ2 LYS A 9 -6.720 11.797 10.055 1.00 11.32 H new ATOM 0 HZ3 LYS A 9 -7.008 12.548 8.560 1.00 11.32 H new ATOM 149 N PRO A 10 -0.854 10.101 7.358 1.00 60.22 N ATOM 150 CA PRO A 10 0.548 10.086 7.790 1.00 54.11 C ATOM 151 C PRO A 10 0.701 9.656 9.244 1.00 35.53 C ATOM 152 O PRO A 10 1.665 8.978 9.603 1.00 12.34 O ATOM 153 CB PRO A 10 0.989 11.541 7.613 1.00 12.43 C ATOM 154 CG PRO A 10 -0.269 12.333 7.717 1.00 3.42 C ATOM 155 CD PRO A 10 -1.353 11.468 7.137 1.00 11.12 C ATOM 0 HA PRO A 10 1.143 9.374 7.219 1.00 54.11 H new ATOM 0 HB2 PRO A 10 1.706 11.834 8.380 1.00 12.43 H new ATOM 0 HB3 PRO A 10 1.474 11.693 6.649 1.00 12.43 H new ATOM 0 HG2 PRO A 10 -0.486 12.587 8.755 1.00 3.42 H new ATOM 0 HG3 PRO A 10 -0.185 13.272 7.170 1.00 3.42 H new ATOM 0 HD2 PRO A 10 -2.308 11.633 7.636 1.00 11.12 H new ATOM 0 HD3 PRO A 10 -1.507 11.673 6.078 1.00 11.12 H new ATOM 160 N HIS A 11 -0.255 10.052 10.078 1.00 12.01 N ATOM 161 CA HIS A 11 -0.226 9.705 11.494 1.00 53.42 C ATOM 162 C HIS A 11 -0.592 8.239 11.703 1.00 74.30 C ATOM 163 O HIS A 11 -0.496 7.715 12.814 1.00 53.13 O ATOM 164 CB HIS A 11 -1.188 10.599 12.279 1.00 24.24 C ATOM 165 CG HIS A 11 -0.668 10.997 13.627 1.00 51.43 C ATOM 166 ND1 HIS A 11 -0.352 12.298 13.956 1.00 2.33 N ATOM 167 CD2 HIS A 11 -0.413 10.258 14.732 1.00 14.00 C ATOM 168 CE1 HIS A 11 0.077 12.342 15.205 1.00 22.43 C ATOM 169 NE2 HIS A 11 0.049 11.117 15.698 1.00 32.25 N ATOM 0 H HIS A 11 -1.059 10.613 9.798 1.00 12.01 H new ATOM 0 HA HIS A 11 0.788 9.863 11.860 1.00 53.42 H new ATOM 0 HB2 HIS A 11 -1.393 11.498 11.697 1.00 24.24 H new ATOM 0 HB3 HIS A 11 -2.137 10.077 12.404 1.00 24.24 H new ATOM 0 HD2 HIS A 11 -0.548 9.191 14.835 1.00 14.00 H new ATOM 0 HE1 HIS A 11 0.396 13.229 15.733 1.00 22.43 H new ATOM 0 HE2 HIS A 11 0.326 10.852 16.643 1.00 32.25 H new ATOM 176 N LEU A 12 -1.012 7.580 10.628 1.00 25.30 N ATOM 177 CA LEU A 12 -1.393 6.174 10.692 1.00 11.34 C ATOM 178 C LEU A 12 -0.163 5.282 10.831 1.00 61.41 C ATOM 179 O LEU A 12 0.903 5.592 10.299 1.00 22.10 O ATOM 180 CB LEU A 12 -2.184 5.781 9.443 1.00 22.03 C ATOM 181 CG LEU A 12 -3.354 4.822 9.663 1.00 43.30 C ATOM 182 CD1 LEU A 12 -4.366 5.427 10.625 1.00 25.04 C ATOM 183 CD2 LEU A 12 -4.016 4.476 8.338 1.00 14.24 C ATOM 0 H LEU A 12 -1.097 7.998 9.701 1.00 25.30 H new ATOM 0 HA LEU A 12 -2.022 6.034 11.571 1.00 11.34 H new ATOM 0 HB2 LEU A 12 -2.568 6.690 8.980 1.00 22.03 H new ATOM 0 HB3 LEU A 12 -1.496 5.326 8.730 1.00 22.03 H new ATOM 0 HG LEU A 12 -2.968 3.903 10.104 1.00 43.30 H new ATOM 0 HD11 LEU A 12 -5.192 4.731 10.770 1.00 25.04 H new ATOM 0 HD12 LEU A 12 -3.885 5.623 11.583 1.00 25.04 H new ATOM 0 HD13 LEU A 12 -4.747 6.361 10.212 1.00 25.04 H new ATOM 0 HD21 LEU A 12 -4.847 3.792 8.514 1.00 14.24 H new ATOM 0 HD22 LEU A 12 -4.388 5.387 7.869 1.00 14.24 H new ATOM 0 HD23 LEU A 12 -3.288 4.001 7.681 1.00 14.24 H new ATOM 194 N SER A 13 -0.320 4.172 11.546 1.00 64.44 N ATOM 195 CA SER A 13 0.778 3.237 11.755 1.00 32.32 C ATOM 196 C SER A 13 0.586 1.976 10.916 1.00 42.42 C ATOM 197 O SER A 13 -0.494 1.736 10.377 1.00 53.11 O ATOM 198 CB SER A 13 0.885 2.866 13.235 1.00 25.45 C ATOM 199 OG SER A 13 1.844 1.841 13.436 1.00 11.22 O ATOM 0 H SER A 13 -1.197 3.899 11.990 1.00 64.44 H new ATOM 0 HA SER A 13 1.701 3.724 11.442 1.00 32.32 H new ATOM 0 HB2 SER A 13 1.162 3.746 13.815 1.00 25.45 H new ATOM 0 HB3 SER A 13 -0.087 2.536 13.602 1.00 25.45 H new ATOM 0 HG SER A 13 1.895 1.623 14.390 1.00 11.22 H new ATOM 204 N ARG A 14 1.642 1.176 10.811 1.00 51.44 N ATOM 205 CA ARG A 14 1.590 -0.059 10.038 1.00 71.35 C ATOM 206 C ARG A 14 0.464 -0.962 10.530 1.00 34.42 C ATOM 207 O ARG A 14 -0.331 -1.469 9.737 1.00 43.10 O ATOM 208 CB ARG A 14 2.927 -0.797 10.126 1.00 43.13 C ATOM 209 CG ARG A 14 2.917 -2.156 9.447 1.00 32.33 C ATOM 210 CD ARG A 14 3.153 -3.280 10.445 1.00 50.13 C ATOM 211 NE ARG A 14 4.484 -3.212 11.042 1.00 73.23 N ATOM 212 CZ ARG A 14 4.884 -3.993 12.039 1.00 12.45 C ATOM 213 NH1 ARG A 14 4.058 -4.895 12.549 1.00 11.05 N ATOM 214 NH2 ARG A 14 6.111 -3.872 12.527 1.00 44.11 N ATOM 0 H ARG A 14 2.543 1.361 11.251 1.00 51.44 H new ATOM 0 HA ARG A 14 1.394 0.201 8.998 1.00 71.35 H new ATOM 0 HB2 ARG A 14 3.704 -0.180 9.674 1.00 43.13 H new ATOM 0 HB3 ARG A 14 3.193 -0.926 11.175 1.00 43.13 H new ATOM 0 HG2 ARG A 14 1.960 -2.307 8.947 1.00 32.33 H new ATOM 0 HG3 ARG A 14 3.687 -2.185 8.676 1.00 32.33 H new ATOM 0 HD2 ARG A 14 2.400 -3.230 11.232 1.00 50.13 H new ATOM 0 HD3 ARG A 14 3.029 -4.241 9.945 1.00 50.13 H new ATOM 0 HE ARG A 14 5.143 -2.527 10.673 1.00 73.23 H new ATOM 0 HH11 ARG A 14 3.113 -4.990 12.176 1.00 11.05 H new ATOM 0 HH12 ARG A 14 4.367 -5.494 13.315 1.00 11.05 H new ATOM 0 HH21 ARG A 14 6.749 -3.178 12.137 1.00 44.11 H new ATOM 0 HH22 ARG A 14 6.417 -4.472 13.293 1.00 44.11 H new ATOM 225 N ASP A 15 0.403 -1.161 11.842 1.00 13.50 N ATOM 226 CA ASP A 15 -0.627 -2.003 12.441 1.00 64.31 C ATOM 227 C ASP A 15 -2.020 -1.508 12.067 1.00 70.01 C ATOM 228 O ASP A 15 -2.907 -2.301 11.752 1.00 4.22 O ATOM 229 CB ASP A 15 -0.472 -2.030 13.962 1.00 50.23 C ATOM 230 CG ASP A 15 -0.465 -3.439 14.518 1.00 4.02 C ATOM 231 OD1 ASP A 15 -1.522 -4.102 14.470 1.00 41.42 O ATOM 232 OD2 ASP A 15 0.598 -3.880 15.004 1.00 22.42 O ATOM 0 H ASP A 15 1.054 -0.751 12.511 1.00 13.50 H new ATOM 0 HA ASP A 15 -0.506 -3.014 12.053 1.00 64.31 H new ATOM 0 HB2 ASP A 15 0.456 -1.529 14.239 1.00 50.23 H new ATOM 0 HB3 ASP A 15 -1.287 -1.467 14.417 1.00 50.23 H new ATOM 236 N GLN A 16 -2.205 -0.192 12.103 1.00 64.10 N ATOM 237 CA GLN A 16 -3.491 0.408 11.771 1.00 70.33 C ATOM 238 C GLN A 16 -3.863 0.127 10.318 1.00 21.22 C ATOM 239 O GLN A 16 -5.016 -0.171 10.010 1.00 60.42 O ATOM 240 CB GLN A 16 -3.452 1.917 12.016 1.00 41.25 C ATOM 241 CG GLN A 16 -3.422 2.294 13.489 1.00 73.03 C ATOM 242 CD GLN A 16 -4.766 2.109 14.165 1.00 15.03 C ATOM 243 OE1 GLN A 16 -5.694 1.542 13.586 1.00 64.52 O ATOM 244 NE2 GLN A 16 -4.878 2.588 15.399 1.00 0.13 N ATOM 0 H GLN A 16 -1.480 0.479 12.359 1.00 64.10 H new ATOM 0 HA GLN A 16 -4.249 -0.038 12.415 1.00 70.33 H new ATOM 0 HB2 GLN A 16 -2.573 2.334 11.525 1.00 41.25 H new ATOM 0 HB3 GLN A 16 -4.324 2.375 11.550 1.00 41.25 H new ATOM 0 HG2 GLN A 16 -2.675 1.687 14.001 1.00 73.03 H new ATOM 0 HG3 GLN A 16 -3.110 3.334 13.588 1.00 73.03 H new ATOM 0 HE21 GLN A 16 -4.083 3.051 15.841 1.00 0.13 H new ATOM 0 HE22 GLN A 16 -5.759 2.493 15.905 1.00 0.13 H new ATOM 251 N ALA A 17 -2.879 0.224 9.431 1.00 62.03 N ATOM 252 CA ALA A 17 -3.102 -0.022 8.012 1.00 41.24 C ATOM 253 C ALA A 17 -3.508 -1.470 7.763 1.00 74.53 C ATOM 254 O ALA A 17 -4.387 -1.747 6.946 1.00 21.10 O ATOM 255 CB ALA A 17 -1.854 0.323 7.213 1.00 42.35 C ATOM 0 H ALA A 17 -1.919 0.471 9.670 1.00 62.03 H new ATOM 0 HA ALA A 17 -3.920 0.619 7.682 1.00 41.24 H new ATOM 0 HB1 ALA A 17 -2.036 0.134 6.155 1.00 42.35 H new ATOM 0 HB2 ALA A 17 -1.609 1.375 7.357 1.00 42.35 H new ATOM 0 HB3 ALA A 17 -1.022 -0.293 7.554 1.00 42.35 H new ATOM 261 N ILE A 18 -2.862 -2.390 8.470 1.00 3.13 N ATOM 262 CA ILE A 18 -3.157 -3.811 8.326 1.00 4.01 C ATOM 263 C ILE A 18 -4.570 -4.130 8.803 1.00 20.31 C ATOM 264 O ILE A 18 -5.289 -4.902 8.170 1.00 33.23 O ATOM 265 CB ILE A 18 -2.154 -4.677 9.112 1.00 73.44 C ATOM 266 CG1 ILE A 18 -0.727 -4.410 8.626 1.00 74.21 C ATOM 267 CG2 ILE A 18 -2.501 -6.151 8.968 1.00 4.35 C ATOM 268 CD1 ILE A 18 0.336 -4.828 9.617 1.00 1.03 C ATOM 0 H ILE A 18 -2.131 -2.178 9.149 1.00 3.13 H new ATOM 0 HA ILE A 18 -3.073 -4.045 7.265 1.00 4.01 H new ATOM 0 HB ILE A 18 -2.215 -4.411 10.167 1.00 73.44 H new ATOM 0 HG12 ILE A 18 -0.566 -4.940 7.687 1.00 74.21 H new ATOM 0 HG13 ILE A 18 -0.617 -3.346 8.414 1.00 74.21 H new ATOM 0 HG21 ILE A 18 -1.784 -6.750 9.529 1.00 4.35 H new ATOM 0 HG22 ILE A 18 -3.504 -6.328 9.356 1.00 4.35 H new ATOM 0 HG23 ILE A 18 -2.465 -6.432 7.916 1.00 4.35 H new ATOM 0 HD11 ILE A 18 1.322 -4.610 9.207 1.00 1.03 H new ATOM 0 HD12 ILE A 18 0.201 -4.279 10.549 1.00 1.03 H new ATOM 0 HD13 ILE A 18 0.252 -5.897 9.811 1.00 1.03 H new ATOM 279 N ALA A 19 -4.961 -3.530 9.921 1.00 43.21 N ATOM 280 CA ALA A 19 -6.289 -3.746 10.481 1.00 33.11 C ATOM 281 C ALA A 19 -7.368 -3.169 9.573 1.00 55.42 C ATOM 282 O ALA A 19 -8.450 -3.744 9.432 1.00 61.12 O ATOM 283 CB ALA A 19 -6.383 -3.135 11.871 1.00 42.30 C ATOM 0 H ALA A 19 -4.376 -2.889 10.458 1.00 43.21 H new ATOM 0 HA ALA A 19 -6.453 -4.821 10.558 1.00 33.11 H new ATOM 0 HB1 ALA A 19 -7.381 -3.304 12.276 1.00 42.30 H new ATOM 0 HB2 ALA A 19 -5.643 -3.599 12.523 1.00 42.30 H new ATOM 0 HB3 ALA A 19 -6.193 -2.063 11.811 1.00 42.30 H new ATOM 289 N LEU A 20 -7.071 -2.030 8.958 1.00 64.12 N ATOM 290 CA LEU A 20 -8.017 -1.374 8.062 1.00 44.52 C ATOM 291 C LEU A 20 -8.148 -2.141 6.751 1.00 61.32 C ATOM 292 O LEU A 20 -9.208 -2.144 6.124 1.00 32.00 O ATOM 293 CB LEU A 20 -7.573 0.064 7.784 1.00 32.25 C ATOM 294 CG LEU A 20 -8.668 1.129 7.852 1.00 63.42 C ATOM 295 CD1 LEU A 20 -9.242 1.216 9.257 1.00 20.10 C ATOM 296 CD2 LEU A 20 -8.124 2.481 7.412 1.00 5.41 C ATOM 0 H LEU A 20 -6.182 -1.541 9.063 1.00 64.12 H new ATOM 0 HA LEU A 20 -8.991 -1.359 8.550 1.00 44.52 H new ATOM 0 HB2 LEU A 20 -6.793 0.327 8.499 1.00 32.25 H new ATOM 0 HB3 LEU A 20 -7.121 0.098 6.793 1.00 32.25 H new ATOM 0 HG LEU A 20 -9.470 0.842 7.171 1.00 63.42 H new ATOM 0 HD11 LEU A 20 -10.020 1.979 9.286 1.00 20.10 H new ATOM 0 HD12 LEU A 20 -9.669 0.253 9.536 1.00 20.10 H new ATOM 0 HD13 LEU A 20 -8.450 1.479 9.958 1.00 20.10 H new ATOM 0 HD21 LEU A 20 -8.917 3.227 7.466 1.00 5.41 H new ATOM 0 HD22 LEU A 20 -7.304 2.774 8.068 1.00 5.41 H new ATOM 0 HD23 LEU A 20 -7.761 2.411 6.386 1.00 5.41 H new ATOM 307 N LEU A 21 -7.065 -2.791 6.342 1.00 24.54 N ATOM 308 CA LEU A 21 -7.058 -3.565 5.105 1.00 31.32 C ATOM 309 C LEU A 21 -7.794 -4.888 5.287 1.00 32.21 C ATOM 310 O LEU A 21 -8.522 -5.334 4.399 1.00 61.43 O ATOM 311 CB LEU A 21 -5.620 -3.827 4.652 1.00 34.25 C ATOM 312 CG LEU A 21 -4.954 -2.707 3.853 1.00 74.33 C ATOM 313 CD1 LEU A 21 -3.496 -3.042 3.577 1.00 3.15 C ATOM 314 CD2 LEU A 21 -5.702 -2.463 2.551 1.00 74.51 C ATOM 0 H LEU A 21 -6.180 -2.798 6.849 1.00 24.54 H new ATOM 0 HA LEU A 21 -7.574 -2.985 4.340 1.00 31.32 H new ATOM 0 HB2 LEU A 21 -5.013 -4.027 5.535 1.00 34.25 H new ATOM 0 HB3 LEU A 21 -5.610 -4.733 4.047 1.00 34.25 H new ATOM 0 HG LEU A 21 -4.990 -1.793 4.446 1.00 74.33 H new ATOM 0 HD11 LEU A 21 -3.038 -2.233 3.007 1.00 3.15 H new ATOM 0 HD12 LEU A 21 -2.966 -3.166 4.521 1.00 3.15 H new ATOM 0 HD13 LEU A 21 -3.437 -3.968 3.004 1.00 3.15 H new ATOM 0 HD21 LEU A 21 -5.214 -1.662 1.995 1.00 74.51 H new ATOM 0 HD22 LEU A 21 -5.698 -3.374 1.953 1.00 74.51 H new ATOM 0 HD23 LEU A 21 -6.731 -2.177 2.770 1.00 74.51 H new ATOM 325 N LYS A 22 -7.603 -5.513 6.444 1.00 51.13 N ATOM 326 CA LYS A 22 -8.251 -6.783 6.746 1.00 55.22 C ATOM 327 C LYS A 22 -9.723 -6.576 7.087 1.00 71.02 C ATOM 328 O LYS A 22 -10.479 -7.537 7.228 1.00 32.31 O ATOM 329 CB LYS A 22 -7.541 -7.479 7.909 1.00 63.30 C ATOM 330 CG LYS A 22 -7.853 -6.869 9.265 1.00 71.25 C ATOM 331 CD LYS A 22 -7.138 -7.605 10.385 1.00 4.20 C ATOM 332 CE LYS A 22 -7.814 -7.370 11.727 1.00 43.30 C ATOM 333 NZ LYS A 22 -8.049 -8.644 12.460 1.00 51.20 N ATOM 0 H LYS A 22 -7.003 -5.159 7.189 1.00 51.13 H new ATOM 0 HA LYS A 22 -8.186 -7.414 5.859 1.00 55.22 H new ATOM 0 HB2 LYS A 22 -7.825 -8.531 7.919 1.00 63.30 H new ATOM 0 HB3 LYS A 22 -6.465 -7.441 7.742 1.00 63.30 H new ATOM 0 HG2 LYS A 22 -7.556 -5.820 9.270 1.00 71.25 H new ATOM 0 HG3 LYS A 22 -8.929 -6.897 9.439 1.00 71.25 H new ATOM 0 HD2 LYS A 22 -7.121 -8.673 10.167 1.00 4.20 H new ATOM 0 HD3 LYS A 22 -6.101 -7.273 10.436 1.00 4.20 H new ATOM 0 HE2 LYS A 22 -7.195 -6.710 12.335 1.00 43.30 H new ATOM 0 HE3 LYS A 22 -8.765 -6.860 11.570 1.00 43.30 H new ATOM 0 HZ1 LYS A 22 -8.511 -8.441 13.369 1.00 51.20 H new ATOM 0 HZ2 LYS A 22 -8.661 -9.264 11.891 1.00 51.20 H new ATOM 0 HZ3 LYS A 22 -7.140 -9.118 12.632 1.00 51.20 H new ATOM 343 N ASP A 23 -10.124 -5.315 7.215 1.00 33.44 N ATOM 344 CA ASP A 23 -11.506 -4.982 7.537 1.00 74.11 C ATOM 345 C ASP A 23 -12.205 -4.347 6.338 1.00 44.45 C ATOM 346 O ASP A 23 -13.385 -4.001 6.405 1.00 64.12 O ATOM 347 CB ASP A 23 -11.559 -4.033 8.735 1.00 4.34 C ATOM 348 CG ASP A 23 -12.927 -4.001 9.389 1.00 40.34 C ATOM 349 OD1 ASP A 23 -13.185 -4.853 10.264 1.00 0.24 O ATOM 350 OD2 ASP A 23 -13.738 -3.124 9.024 1.00 10.12 O ATOM 0 H ASP A 23 -9.511 -4.508 7.101 1.00 33.44 H new ATOM 0 HA ASP A 23 -12.026 -5.905 7.792 1.00 74.11 H new ATOM 0 HB2 ASP A 23 -10.815 -4.339 9.470 1.00 4.34 H new ATOM 0 HB3 ASP A 23 -11.291 -3.028 8.410 1.00 4.34 H new ATOM 354 N LYS A 24 -11.469 -4.195 5.243 1.00 70.34 N ATOM 355 CA LYS A 24 -12.016 -3.601 4.029 1.00 30.33 C ATOM 356 C LYS A 24 -11.961 -4.589 2.867 1.00 3.05 C ATOM 357 O LYS A 24 -11.230 -5.578 2.917 1.00 33.50 O ATOM 358 CB LYS A 24 -11.246 -2.329 3.667 1.00 40.52 C ATOM 359 CG LYS A 24 -11.907 -1.056 4.167 1.00 20.23 C ATOM 360 CD LYS A 24 -11.799 -0.928 5.677 1.00 0.52 C ATOM 361 CE LYS A 24 -13.040 -0.279 6.272 1.00 73.11 C ATOM 362 NZ LYS A 24 -12.948 1.208 6.260 1.00 20.32 N ATOM 0 H LYS A 24 -10.491 -4.475 5.171 1.00 70.34 H new ATOM 0 HA LYS A 24 -13.059 -3.346 4.217 1.00 30.33 H new ATOM 0 HB2 LYS A 24 -10.240 -2.393 4.081 1.00 40.52 H new ATOM 0 HB3 LYS A 24 -11.142 -2.273 2.583 1.00 40.52 H new ATOM 0 HG2 LYS A 24 -11.440 -0.192 3.693 1.00 20.23 H new ATOM 0 HG3 LYS A 24 -12.957 -1.051 3.875 1.00 20.23 H new ATOM 0 HD2 LYS A 24 -11.657 -1.915 6.118 1.00 0.52 H new ATOM 0 HD3 LYS A 24 -10.920 -0.336 5.931 1.00 0.52 H new ATOM 0 HE2 LYS A 24 -13.919 -0.593 5.710 1.00 73.11 H new ATOM 0 HE3 LYS A 24 -13.176 -0.626 7.296 1.00 73.11 H new ATOM 0 HZ1 LYS A 24 -13.812 1.613 6.673 1.00 20.32 H new ATOM 0 HZ2 LYS A 24 -12.124 1.509 6.818 1.00 20.32 H new ATOM 0 HZ3 LYS A 24 -12.844 1.541 5.280 1.00 20.32 H new ATOM 372 N ASP A 25 -12.736 -4.314 1.825 1.00 52.24 N ATOM 373 CA ASP A 25 -12.774 -5.177 0.650 1.00 4.23 C ATOM 374 C ASP A 25 -11.373 -5.380 0.080 1.00 51.42 C ATOM 375 O ASP A 25 -10.466 -4.574 0.295 1.00 74.14 O ATOM 376 CB ASP A 25 -13.691 -4.581 -0.418 1.00 63.34 C ATOM 377 CG ASP A 25 -15.115 -5.087 -0.307 1.00 32.02 C ATOM 378 OD1 ASP A 25 -15.514 -5.495 0.804 1.00 31.31 O ATOM 379 OD2 ASP A 25 -15.831 -5.077 -1.330 1.00 42.24 O ATOM 0 H ASP A 25 -13.347 -3.499 1.769 1.00 52.24 H new ATOM 0 HA ASP A 25 -13.167 -6.147 0.955 1.00 4.23 H new ATOM 0 HB2 ASP A 25 -13.687 -3.494 -0.331 1.00 63.34 H new ATOM 0 HB3 ASP A 25 -13.299 -4.823 -1.406 1.00 63.34 H new ATOM 383 N PRO A 26 -11.190 -6.481 -0.663 1.00 64.31 N ATOM 384 CA PRO A 26 -9.902 -6.816 -1.278 1.00 40.32 C ATOM 385 C PRO A 26 -9.541 -5.868 -2.417 1.00 22.11 C ATOM 386 O PRO A 26 -10.401 -5.463 -3.198 1.00 10.13 O ATOM 387 CB PRO A 26 -10.121 -8.233 -1.812 1.00 3.24 C ATOM 388 CG PRO A 26 -11.592 -8.334 -2.027 1.00 5.13 C ATOM 389 CD PRO A 26 -12.225 -7.484 -0.959 1.00 14.02 C ATOM 0 HA PRO A 26 -9.078 -6.736 -0.568 1.00 40.32 H new ATOM 0 HB2 PRO A 26 -9.573 -8.395 -2.740 1.00 3.24 H new ATOM 0 HB3 PRO A 26 -9.772 -8.982 -1.101 1.00 3.24 H new ATOM 0 HG2 PRO A 26 -11.866 -7.981 -3.021 1.00 5.13 H new ATOM 0 HG3 PRO A 26 -11.927 -9.368 -1.953 1.00 5.13 H new ATOM 0 HD2 PRO A 26 -13.147 -7.019 -1.309 1.00 14.02 H new ATOM 0 HD3 PRO A 26 -12.480 -8.071 -0.077 1.00 14.02 H new ATOM 394 N GLY A 27 -8.261 -5.519 -2.507 1.00 1.13 N ATOM 395 CA GLY A 27 -7.808 -4.622 -3.554 1.00 51.32 C ATOM 396 C GLY A 27 -7.588 -3.208 -3.052 1.00 34.24 C ATOM 397 O GLY A 27 -6.901 -2.415 -3.694 1.00 62.11 O ATOM 0 H GLY A 27 -7.530 -5.842 -1.873 1.00 1.13 H new ATOM 0 HA2 GLY A 27 -6.878 -5.003 -3.977 1.00 51.32 H new ATOM 0 HA3 GLY A 27 -8.543 -4.608 -4.359 1.00 51.32 H new ATOM 401 N ALA A 28 -8.174 -2.893 -1.902 1.00 34.30 N ATOM 402 CA ALA A 28 -8.039 -1.566 -1.315 1.00 4.20 C ATOM 403 C ALA A 28 -6.624 -1.338 -0.794 1.00 63.53 C ATOM 404 O ALA A 28 -5.947 -2.278 -0.375 1.00 40.35 O ATOM 405 CB ALA A 28 -9.051 -1.378 -0.195 1.00 3.25 C ATOM 0 H ALA A 28 -8.747 -3.539 -1.358 1.00 34.30 H new ATOM 0 HA ALA A 28 -8.235 -0.830 -2.095 1.00 4.20 H new ATOM 0 HB1 ALA A 28 -8.938 -0.382 0.234 1.00 3.25 H new ATOM 0 HB2 ALA A 28 -10.059 -1.489 -0.593 1.00 3.25 H new ATOM 0 HB3 ALA A 28 -8.881 -2.127 0.578 1.00 3.25 H new ATOM 411 N PHE A 29 -6.181 -0.085 -0.825 1.00 2.12 N ATOM 412 CA PHE A 29 -4.845 0.266 -0.357 1.00 55.03 C ATOM 413 C PHE A 29 -4.868 1.581 0.416 1.00 21.34 C ATOM 414 O PHE A 29 -5.868 2.300 0.413 1.00 1.24 O ATOM 415 CB PHE A 29 -3.880 0.373 -1.540 1.00 52.12 C ATOM 416 CG PHE A 29 -4.080 1.612 -2.366 1.00 53.12 C ATOM 417 CD1 PHE A 29 -5.132 1.700 -3.263 1.00 53.05 C ATOM 418 CD2 PHE A 29 -3.215 2.688 -2.245 1.00 54.34 C ATOM 419 CE1 PHE A 29 -5.319 2.839 -4.024 1.00 54.20 C ATOM 420 CE2 PHE A 29 -3.397 3.829 -3.003 1.00 53.21 C ATOM 421 CZ PHE A 29 -4.450 3.904 -3.894 1.00 62.43 C ATOM 0 H PHE A 29 -6.728 0.704 -1.169 1.00 2.12 H new ATOM 0 HA PHE A 29 -4.502 -0.523 0.313 1.00 55.03 H new ATOM 0 HB2 PHE A 29 -2.856 0.356 -1.166 1.00 52.12 H new ATOM 0 HB3 PHE A 29 -4.001 -0.503 -2.178 1.00 52.12 H new ATOM 0 HD1 PHE A 29 -5.814 0.869 -3.369 1.00 53.05 H new ATOM 0 HD2 PHE A 29 -2.390 2.634 -1.551 1.00 54.34 H new ATOM 0 HE1 PHE A 29 -6.144 2.896 -4.719 1.00 54.20 H new ATOM 0 HE2 PHE A 29 -2.717 4.661 -2.899 1.00 53.21 H new ATOM 0 HZ PHE A 29 -4.593 4.794 -4.488 1.00 62.43 H new ATOM 430 N LEU A 30 -3.758 1.888 1.080 1.00 74.24 N ATOM 431 CA LEU A 30 -3.649 3.116 1.860 1.00 70.22 C ATOM 432 C LEU A 30 -2.195 3.562 1.974 1.00 31.33 C ATOM 433 O LEU A 30 -1.275 2.760 1.806 1.00 3.13 O ATOM 434 CB LEU A 30 -4.243 2.912 3.254 1.00 43.51 C ATOM 435 CG LEU A 30 -3.366 2.157 4.254 1.00 21.44 C ATOM 436 CD1 LEU A 30 -2.490 3.125 5.034 1.00 31.10 C ATOM 437 CD2 LEU A 30 -4.225 1.330 5.199 1.00 21.51 C ATOM 0 H LEU A 30 -2.922 1.304 1.094 1.00 74.24 H new ATOM 0 HA LEU A 30 -4.209 3.896 1.344 1.00 70.22 H new ATOM 0 HB2 LEU A 30 -4.478 3.890 3.674 1.00 43.51 H new ATOM 0 HB3 LEU A 30 -5.186 2.375 3.150 1.00 43.51 H new ATOM 0 HG LEU A 30 -2.717 1.479 3.699 1.00 21.44 H new ATOM 0 HD11 LEU A 30 -1.873 2.569 5.740 1.00 31.10 H new ATOM 0 HD12 LEU A 30 -1.848 3.672 4.344 1.00 31.10 H new ATOM 0 HD13 LEU A 30 -3.120 3.829 5.578 1.00 31.10 H new ATOM 0 HD21 LEU A 30 -3.584 0.800 5.903 1.00 21.51 H new ATOM 0 HD22 LEU A 30 -4.900 1.988 5.747 1.00 21.51 H new ATOM 0 HD23 LEU A 30 -4.807 0.609 4.625 1.00 21.51 H new ATOM 448 N ILE A 31 -1.995 4.843 2.261 1.00 65.12 N ATOM 449 CA ILE A 31 -0.652 5.393 2.400 1.00 4.55 C ATOM 450 C ILE A 31 -0.440 5.979 3.792 1.00 44.20 C ATOM 451 O ILE A 31 -1.335 6.613 4.353 1.00 32.23 O ATOM 452 CB ILE A 31 -0.379 6.485 1.349 1.00 2.21 C ATOM 453 CG1 ILE A 31 -0.498 5.906 -0.062 1.00 11.34 C ATOM 454 CG2 ILE A 31 0.999 7.094 1.563 1.00 13.22 C ATOM 455 CD1 ILE A 31 0.544 4.856 -0.375 1.00 41.23 C ATOM 0 H ILE A 31 -2.745 5.520 2.402 1.00 65.12 H new ATOM 0 HA ILE A 31 0.044 4.569 2.245 1.00 4.55 H new ATOM 0 HB ILE A 31 -1.124 7.272 1.463 1.00 2.21 H new ATOM 0 HG12 ILE A 31 -1.489 5.470 -0.184 1.00 11.34 H new ATOM 0 HG13 ILE A 31 -0.414 6.716 -0.786 1.00 11.34 H new ATOM 0 HG21 ILE A 31 1.177 7.864 0.812 1.00 13.22 H new ATOM 0 HG22 ILE A 31 1.050 7.538 2.557 1.00 13.22 H new ATOM 0 HG23 ILE A 31 1.758 6.317 1.473 1.00 13.22 H new ATOM 0 HD11 ILE A 31 0.398 4.491 -1.392 1.00 41.23 H new ATOM 0 HD12 ILE A 31 1.539 5.293 -0.285 1.00 41.23 H new ATOM 0 HD13 ILE A 31 0.447 4.027 0.326 1.00 41.23 H new ATOM 466 N ARG A 32 0.750 5.765 4.344 1.00 40.12 N ATOM 467 CA ARG A 32 1.080 6.272 5.670 1.00 43.12 C ATOM 468 C ARG A 32 2.499 6.832 5.700 1.00 24.23 C ATOM 469 O ARG A 32 3.300 6.569 4.803 1.00 0.11 O ATOM 470 CB ARG A 32 0.934 5.163 6.714 1.00 64.11 C ATOM 471 CG ARG A 32 2.053 4.135 6.670 1.00 74.55 C ATOM 472 CD ARG A 32 1.505 2.716 6.700 1.00 63.24 C ATOM 473 NE ARG A 32 2.562 1.727 6.895 1.00 31.41 N ATOM 474 CZ ARG A 32 2.427 0.439 6.596 1.00 70.33 C ATOM 475 NH1 ARG A 32 1.287 -0.012 6.090 1.00 64.24 N ATOM 476 NH2 ARG A 32 3.434 -0.400 6.801 1.00 12.15 N ATOM 0 H ARG A 32 1.502 5.244 3.893 1.00 40.12 H new ATOM 0 HA ARG A 32 0.385 7.078 5.907 1.00 43.12 H new ATOM 0 HB2 ARG A 32 0.903 5.612 7.707 1.00 64.11 H new ATOM 0 HB3 ARG A 32 -0.019 4.657 6.563 1.00 64.11 H new ATOM 0 HG2 ARG A 32 2.646 4.279 5.767 1.00 74.55 H new ATOM 0 HG3 ARG A 32 2.722 4.286 7.517 1.00 74.55 H new ATOM 0 HD2 ARG A 32 0.772 2.627 7.502 1.00 63.24 H new ATOM 0 HD3 ARG A 32 0.982 2.509 5.766 1.00 63.24 H new ATOM 0 HE ARG A 32 3.452 2.042 7.282 1.00 31.41 H new ATOM 0 HH11 ARG A 32 0.511 0.630 5.929 1.00 64.24 H new ATOM 0 HH12 ARG A 32 1.186 -1.001 5.861 1.00 64.24 H new ATOM 0 HH21 ARG A 32 4.313 -0.057 7.188 1.00 12.15 H new ATOM 0 HH22 ARG A 32 3.329 -1.388 6.571 1.00 12.15 H new ATOM 487 N ASP A 33 2.802 7.605 6.737 1.00 22.21 N ATOM 488 CA ASP A 33 4.125 8.201 6.885 1.00 53.52 C ATOM 489 C ASP A 33 5.173 7.133 7.181 1.00 20.31 C ATOM 490 O ASP A 33 5.088 6.428 8.187 1.00 24.40 O ATOM 491 CB ASP A 33 4.114 9.246 8.002 1.00 24.54 C ATOM 492 CG ASP A 33 5.368 10.100 8.008 1.00 12.34 C ATOM 493 OD1 ASP A 33 6.224 9.901 7.122 1.00 71.22 O ATOM 494 OD2 ASP A 33 5.491 10.966 8.899 1.00 24.12 O ATOM 0 H ASP A 33 2.150 7.834 7.487 1.00 22.21 H new ATOM 0 HA ASP A 33 4.385 8.687 5.945 1.00 53.52 H new ATOM 0 HB2 ASP A 33 3.241 9.888 7.886 1.00 24.54 H new ATOM 0 HB3 ASP A 33 4.015 8.744 8.964 1.00 24.54 H new ATOM 498 N SER A 34 6.159 7.018 6.298 1.00 63.53 N ATOM 499 CA SER A 34 7.221 6.033 6.461 1.00 23.43 C ATOM 500 C SER A 34 8.290 6.539 7.425 1.00 50.05 C ATOM 501 O SER A 34 9.156 7.330 7.049 1.00 60.24 O ATOM 502 CB SER A 34 7.854 5.704 5.107 1.00 34.25 C ATOM 503 OG SER A 34 8.496 4.441 5.138 1.00 73.51 O ATOM 0 H SER A 34 6.245 7.595 5.462 1.00 63.53 H new ATOM 0 HA SER A 34 6.780 5.127 6.878 1.00 23.43 H new ATOM 0 HB2 SER A 34 7.087 5.707 4.333 1.00 34.25 H new ATOM 0 HB3 SER A 34 8.576 6.476 4.842 1.00 34.25 H new ATOM 0 HG SER A 34 8.891 4.253 4.261 1.00 73.51 H new ATOM 508 N HIS A 35 8.222 6.080 8.669 1.00 12.53 N ATOM 509 CA HIS A 35 9.183 6.485 9.688 1.00 3.51 C ATOM 510 C HIS A 35 10.564 5.910 9.392 1.00 11.23 C ATOM 511 O HIS A 35 11.557 6.309 10.001 1.00 33.23 O ATOM 512 CB HIS A 35 8.714 6.032 11.071 1.00 4.23 C ATOM 513 CG HIS A 35 9.223 6.891 12.188 1.00 11.04 C ATOM 514 ND1 HIS A 35 9.137 8.267 12.178 1.00 61.52 N ATOM 515 CD2 HIS A 35 9.825 6.561 13.355 1.00 41.14 C ATOM 516 CE1 HIS A 35 9.666 8.747 13.289 1.00 43.31 C ATOM 517 NE2 HIS A 35 10.091 7.733 14.020 1.00 0.45 N ATOM 0 H HIS A 35 7.511 5.426 8.997 1.00 12.53 H new ATOM 0 HA HIS A 35 9.252 7.573 9.675 1.00 3.51 H new ATOM 0 HB2 HIS A 35 7.624 6.030 11.093 1.00 4.23 H new ATOM 0 HB3 HIS A 35 9.038 5.005 11.237 1.00 4.23 H new ATOM 0 HD2 HIS A 35 10.053 5.563 13.699 1.00 41.14 H new ATOM 0 HE1 HIS A 35 9.739 9.791 13.554 1.00 43.31 H new ATOM 0 HE2 HIS A 35 10.544 7.808 14.931 1.00 0.45 H new ATOM 524 N SER A 36 10.619 4.969 8.455 1.00 32.43 N ATOM 525 CA SER A 36 11.879 4.335 8.082 1.00 13.31 C ATOM 526 C SER A 36 12.936 5.382 7.748 1.00 34.20 C ATOM 527 O SER A 36 13.855 5.623 8.529 1.00 45.12 O ATOM 528 CB SER A 36 11.669 3.404 6.885 1.00 64.13 C ATOM 529 OG SER A 36 11.258 2.115 7.307 1.00 61.21 O ATOM 0 H SER A 36 9.807 4.629 7.940 1.00 32.43 H new ATOM 0 HA SER A 36 12.230 3.750 8.932 1.00 13.31 H new ATOM 0 HB2 SER A 36 10.919 3.828 6.218 1.00 64.13 H new ATOM 0 HB3 SER A 36 12.595 3.325 6.315 1.00 64.13 H new ATOM 0 HG SER A 36 11.129 1.540 6.524 1.00 61.21 H new ATOM 534 N PHE A 37 12.798 6.002 6.580 1.00 12.14 N ATOM 535 CA PHE A 37 13.741 7.022 6.140 1.00 41.22 C ATOM 536 C PHE A 37 13.014 8.176 5.454 1.00 25.12 C ATOM 537 O PHE A 37 11.885 8.021 4.990 1.00 43.03 O ATOM 538 CB PHE A 37 14.773 6.417 5.186 1.00 4.11 C ATOM 539 CG PHE A 37 16.116 6.189 5.823 1.00 72.02 C ATOM 540 CD1 PHE A 37 16.973 7.251 6.062 1.00 54.44 C ATOM 541 CD2 PHE A 37 16.519 4.913 6.180 1.00 30.43 C ATOM 542 CE1 PHE A 37 18.208 7.045 6.646 1.00 3.14 C ATOM 543 CE2 PHE A 37 17.753 4.701 6.765 1.00 4.33 C ATOM 544 CZ PHE A 37 18.599 5.768 6.998 1.00 41.44 C ATOM 0 H PHE A 37 12.042 5.815 5.922 1.00 12.14 H new ATOM 0 HA PHE A 37 14.254 7.410 7.020 1.00 41.22 H new ATOM 0 HB2 PHE A 37 14.394 5.468 4.807 1.00 4.11 H new ATOM 0 HB3 PHE A 37 14.894 7.078 4.328 1.00 4.11 H new ATOM 0 HD1 PHE A 37 16.672 8.252 5.789 1.00 54.44 H new ATOM 0 HD2 PHE A 37 15.862 4.075 5.999 1.00 30.43 H new ATOM 0 HE1 PHE A 37 18.867 7.881 6.827 1.00 3.14 H new ATOM 0 HE2 PHE A 37 18.056 3.701 7.040 1.00 4.33 H new ATOM 0 HZ PHE A 37 19.564 5.604 7.454 1.00 41.44 H new ATOM 553 N GLN A 38 13.670 9.330 5.396 1.00 65.51 N ATOM 554 CA GLN A 38 13.086 10.509 4.768 1.00 44.02 C ATOM 555 C GLN A 38 12.805 10.256 3.291 1.00 52.04 C ATOM 556 O GLN A 38 13.546 9.538 2.621 1.00 21.32 O ATOM 557 CB GLN A 38 14.020 11.711 4.923 1.00 2.32 C ATOM 558 CG GLN A 38 13.842 12.453 6.238 1.00 23.54 C ATOM 559 CD GLN A 38 14.019 13.951 6.091 1.00 51.25 C ATOM 560 OE1 GLN A 38 13.081 14.722 6.301 1.00 63.40 O ATOM 561 NE2 GLN A 38 15.224 14.374 5.729 1.00 22.34 N ATOM 0 H GLN A 38 14.606 9.474 5.776 1.00 65.51 H new ATOM 0 HA GLN A 38 12.141 10.725 5.267 1.00 44.02 H new ATOM 0 HB2 GLN A 38 15.053 11.371 4.844 1.00 2.32 H new ATOM 0 HB3 GLN A 38 13.848 12.403 4.099 1.00 2.32 H new ATOM 0 HG2 GLN A 38 12.849 12.246 6.636 1.00 23.54 H new ATOM 0 HG3 GLN A 38 14.562 12.075 6.964 1.00 23.54 H new ATOM 0 HE21 GLN A 38 15.973 13.701 5.565 1.00 22.34 H new ATOM 0 HE22 GLN A 38 15.401 15.372 5.615 1.00 22.34 H new ATOM 568 N GLY A 39 11.728 10.853 2.788 1.00 51.30 N ATOM 569 CA GLY A 39 11.367 10.679 1.393 1.00 23.30 C ATOM 570 C GLY A 39 10.818 9.296 1.103 1.00 3.34 C ATOM 571 O GLY A 39 10.950 8.790 -0.010 1.00 64.40 O ATOM 0 H GLY A 39 11.100 11.454 3.322 1.00 51.30 H new ATOM 0 HA2 GLY A 39 10.623 11.427 1.118 1.00 23.30 H new ATOM 0 HA3 GLY A 39 12.243 10.857 0.770 1.00 23.30 H new ATOM 575 N ALA A 40 10.203 8.683 2.109 1.00 12.12 N ATOM 576 CA ALA A 40 9.632 7.350 1.956 1.00 5.21 C ATOM 577 C ALA A 40 8.181 7.319 2.425 1.00 35.31 C ATOM 578 O ALA A 40 7.804 8.022 3.362 1.00 61.24 O ATOM 579 CB ALA A 40 10.459 6.331 2.726 1.00 23.10 C ATOM 0 H ALA A 40 10.087 9.088 3.038 1.00 12.12 H new ATOM 0 HA ALA A 40 9.651 7.092 0.897 1.00 5.21 H new ATOM 0 HB1 ALA A 40 10.022 5.340 2.603 1.00 23.10 H new ATOM 0 HB2 ALA A 40 11.480 6.327 2.344 1.00 23.10 H new ATOM 0 HB3 ALA A 40 10.469 6.595 3.784 1.00 23.10 H new ATOM 585 N TYR A 41 7.371 6.498 1.765 1.00 1.24 N ATOM 586 CA TYR A 41 5.959 6.376 2.113 1.00 73.34 C ATOM 587 C TYR A 41 5.552 4.910 2.231 1.00 42.01 C ATOM 588 O TYR A 41 5.860 4.096 1.361 1.00 22.23 O ATOM 589 CB TYR A 41 5.093 7.075 1.063 1.00 32.21 C ATOM 590 CG TYR A 41 5.041 8.577 1.223 1.00 34.13 C ATOM 591 CD1 TYR A 41 6.026 9.388 0.673 1.00 53.22 C ATOM 592 CD2 TYR A 41 4.008 9.185 1.925 1.00 12.42 C ATOM 593 CE1 TYR A 41 5.983 10.762 0.818 1.00 52.00 C ATOM 594 CE2 TYR A 41 3.956 10.557 2.074 1.00 50.21 C ATOM 595 CZ TYR A 41 4.946 11.342 1.519 1.00 35.21 C ATOM 596 OH TYR A 41 4.898 12.709 1.665 1.00 22.42 O ATOM 0 H TYR A 41 7.667 5.908 0.987 1.00 1.24 H new ATOM 0 HA TYR A 41 5.805 6.855 3.080 1.00 73.34 H new ATOM 0 HB2 TYR A 41 5.477 6.837 0.071 1.00 32.21 H new ATOM 0 HB3 TYR A 41 4.080 6.677 1.117 1.00 32.21 H new ATOM 0 HD1 TYR A 41 6.839 8.937 0.123 1.00 53.22 H new ATOM 0 HD2 TYR A 41 3.232 8.574 2.362 1.00 12.42 H new ATOM 0 HE1 TYR A 41 6.757 11.378 0.385 1.00 52.00 H new ATOM 0 HE2 TYR A 41 3.145 11.013 2.622 1.00 50.21 H new ATOM 0 HH TYR A 41 4.104 12.955 2.184 1.00 22.42 H new ATOM 605 N GLY A 42 4.855 4.583 3.315 1.00 34.32 N ATOM 606 CA GLY A 42 4.416 3.216 3.529 1.00 72.23 C ATOM 607 C GLY A 42 3.127 2.900 2.796 1.00 31.10 C ATOM 608 O GLY A 42 2.068 3.434 3.128 1.00 51.23 O ATOM 0 H GLY A 42 4.587 5.239 4.048 1.00 34.32 H new ATOM 0 HA2 GLY A 42 5.196 2.531 3.198 1.00 72.23 H new ATOM 0 HA3 GLY A 42 4.275 3.046 4.596 1.00 72.23 H new ATOM 612 N LEU A 43 3.216 2.032 1.794 1.00 11.35 N ATOM 613 CA LEU A 43 2.047 1.647 1.010 1.00 23.32 C ATOM 614 C LEU A 43 1.541 0.269 1.428 1.00 72.14 C ATOM 615 O LEU A 43 2.297 -0.702 1.445 1.00 53.50 O ATOM 616 CB LEU A 43 2.387 1.646 -0.481 1.00 41.54 C ATOM 617 CG LEU A 43 1.346 1.017 -1.407 1.00 15.24 C ATOM 618 CD1 LEU A 43 0.097 1.884 -1.474 1.00 73.43 C ATOM 619 CD2 LEU A 43 1.926 0.805 -2.797 1.00 52.55 C ATOM 0 H LEU A 43 4.085 1.582 1.505 1.00 11.35 H new ATOM 0 HA LEU A 43 1.258 2.376 1.197 1.00 23.32 H new ATOM 0 HB2 LEU A 43 2.549 2.677 -0.797 1.00 41.54 H new ATOM 0 HB3 LEU A 43 3.331 1.119 -0.617 1.00 41.54 H new ATOM 0 HG LEU A 43 1.067 0.045 -1.000 1.00 15.24 H new ATOM 0 HD11 LEU A 43 -0.633 1.420 -2.138 1.00 73.43 H new ATOM 0 HD12 LEU A 43 -0.331 1.983 -0.477 1.00 73.43 H new ATOM 0 HD13 LEU A 43 0.359 2.871 -1.856 1.00 73.43 H new ATOM 0 HD21 LEU A 43 1.170 0.356 -3.442 1.00 52.55 H new ATOM 0 HD22 LEU A 43 2.235 1.764 -3.213 1.00 52.55 H new ATOM 0 HD23 LEU A 43 2.789 0.142 -2.734 1.00 52.55 H new ATOM 630 N ALA A 44 0.257 0.194 1.763 1.00 73.21 N ATOM 631 CA ALA A 44 -0.352 -1.065 2.176 1.00 71.42 C ATOM 632 C ALA A 44 -1.476 -1.468 1.228 1.00 11.44 C ATOM 633 O ALA A 44 -2.275 -0.631 0.805 1.00 51.02 O ATOM 634 CB ALA A 44 -0.872 -0.956 3.601 1.00 3.42 C ATOM 0 H ALA A 44 -0.381 0.990 1.757 1.00 73.21 H new ATOM 0 HA ALA A 44 0.413 -1.841 2.139 1.00 71.42 H new ATOM 0 HB1 ALA A 44 -1.324 -1.903 3.897 1.00 3.42 H new ATOM 0 HB2 ALA A 44 -0.046 -0.723 4.273 1.00 3.42 H new ATOM 0 HB3 ALA A 44 -1.619 -0.164 3.656 1.00 3.42 H new ATOM 640 N LEU A 45 -1.534 -2.754 0.900 1.00 32.00 N ATOM 641 CA LEU A 45 -2.562 -3.268 0.001 1.00 21.25 C ATOM 642 C LEU A 45 -3.153 -4.568 0.538 1.00 12.23 C ATOM 643 O LEU A 45 -2.449 -5.386 1.131 1.00 23.10 O ATOM 644 CB LEU A 45 -1.979 -3.498 -1.394 1.00 41.34 C ATOM 645 CG LEU A 45 -2.922 -4.129 -2.419 1.00 70.13 C ATOM 646 CD1 LEU A 45 -4.230 -3.357 -2.488 1.00 40.25 C ATOM 647 CD2 LEU A 45 -2.259 -4.183 -3.789 1.00 53.21 C ATOM 0 H LEU A 45 -0.882 -3.460 1.243 1.00 32.00 H new ATOM 0 HA LEU A 45 -3.358 -2.527 -0.063 1.00 21.25 H new ATOM 0 HB2 LEU A 45 -1.637 -2.540 -1.786 1.00 41.34 H new ATOM 0 HB3 LEU A 45 -1.100 -4.135 -1.298 1.00 41.34 H new ATOM 0 HG LEU A 45 -3.143 -5.148 -2.103 1.00 70.13 H new ATOM 0 HD11 LEU A 45 -4.888 -3.821 -3.223 1.00 40.25 H new ATOM 0 HD12 LEU A 45 -4.712 -3.369 -1.510 1.00 40.25 H new ATOM 0 HD13 LEU A 45 -4.029 -2.326 -2.780 1.00 40.25 H new ATOM 0 HD21 LEU A 45 -2.943 -4.635 -4.507 1.00 53.21 H new ATOM 0 HD22 LEU A 45 -2.009 -3.173 -4.112 1.00 53.21 H new ATOM 0 HD23 LEU A 45 -1.349 -4.780 -3.730 1.00 53.21 H new ATOM 658 N LYS A 46 -4.451 -4.754 0.325 1.00 54.14 N ATOM 659 CA LYS A 46 -5.139 -5.955 0.784 1.00 71.34 C ATOM 660 C LYS A 46 -5.295 -6.960 -0.354 1.00 13.21 C ATOM 661 O LYS A 46 -5.758 -6.615 -1.442 1.00 10.32 O ATOM 662 CB LYS A 46 -6.513 -5.596 1.353 1.00 70.24 C ATOM 663 CG LYS A 46 -7.324 -6.802 1.793 1.00 21.25 C ATOM 664 CD LYS A 46 -6.689 -7.494 2.988 1.00 73.12 C ATOM 665 CE LYS A 46 -7.101 -8.957 3.068 1.00 25.13 C ATOM 666 NZ LYS A 46 -7.484 -9.351 4.452 1.00 64.13 N ATOM 0 H LYS A 46 -5.049 -4.087 -0.163 1.00 54.14 H new ATOM 0 HA LYS A 46 -4.536 -6.411 1.569 1.00 71.34 H new ATOM 0 HB2 LYS A 46 -6.381 -4.928 2.204 1.00 70.24 H new ATOM 0 HB3 LYS A 46 -7.076 -5.045 0.600 1.00 70.24 H new ATOM 0 HG2 LYS A 46 -8.336 -6.488 2.049 1.00 21.25 H new ATOM 0 HG3 LYS A 46 -7.408 -7.507 0.966 1.00 21.25 H new ATOM 0 HD2 LYS A 46 -5.604 -7.424 2.916 1.00 73.12 H new ATOM 0 HD3 LYS A 46 -6.982 -6.982 3.905 1.00 73.12 H new ATOM 0 HE2 LYS A 46 -7.939 -9.135 2.395 1.00 25.13 H new ATOM 0 HE3 LYS A 46 -6.278 -9.585 2.726 1.00 25.13 H new ATOM 0 HZ1 LYS A 46 -7.445 -10.386 4.541 1.00 64.13 H new ATOM 0 HZ2 LYS A 46 -6.824 -8.920 5.131 1.00 64.13 H new ATOM 0 HZ3 LYS A 46 -8.450 -9.022 4.652 1.00 64.13 H new ATOM 676 N VAL A 47 -4.907 -8.205 -0.095 1.00 53.14 N ATOM 677 CA VAL A 47 -5.007 -9.260 -1.096 1.00 61.32 C ATOM 678 C VAL A 47 -6.060 -10.291 -0.705 1.00 22.14 C ATOM 679 O VAL A 47 -6.424 -10.408 0.465 1.00 63.32 O ATOM 680 CB VAL A 47 -3.656 -9.973 -1.297 1.00 1.42 C ATOM 681 CG1 VAL A 47 -2.582 -8.976 -1.708 1.00 54.04 C ATOM 682 CG2 VAL A 47 -3.251 -10.713 -0.031 1.00 42.04 C ATOM 0 H VAL A 47 -4.521 -8.507 0.799 1.00 53.14 H new ATOM 0 HA VAL A 47 -5.300 -8.782 -2.031 1.00 61.32 H new ATOM 0 HB VAL A 47 -3.766 -10.704 -2.098 1.00 1.42 H new ATOM 0 HG11 VAL A 47 -1.635 -9.498 -1.845 1.00 54.04 H new ATOM 0 HG12 VAL A 47 -2.870 -8.495 -2.643 1.00 54.04 H new ATOM 0 HG13 VAL A 47 -2.471 -8.220 -0.931 1.00 54.04 H new ATOM 0 HG21 VAL A 47 -2.295 -11.211 -0.191 1.00 42.04 H new ATOM 0 HG22 VAL A 47 -3.158 -10.003 0.791 1.00 42.04 H new ATOM 0 HG23 VAL A 47 -4.010 -11.456 0.215 1.00 42.04 H new ATOM 692 N ALA A 48 -6.544 -11.038 -1.692 1.00 51.33 N ATOM 693 CA ALA A 48 -7.553 -12.062 -1.450 1.00 40.00 C ATOM 694 C ALA A 48 -7.002 -13.179 -0.571 1.00 1.44 C ATOM 695 O ALA A 48 -7.632 -13.582 0.408 1.00 63.12 O ATOM 696 CB ALA A 48 -8.059 -12.626 -2.770 1.00 65.03 C ATOM 0 H ALA A 48 -6.254 -10.953 -2.666 1.00 51.33 H new ATOM 0 HA ALA A 48 -8.387 -11.599 -0.922 1.00 40.00 H new ATOM 0 HB1 ALA A 48 -8.812 -13.390 -2.575 1.00 65.03 H new ATOM 0 HB2 ALA A 48 -8.500 -11.825 -3.363 1.00 65.03 H new ATOM 0 HB3 ALA A 48 -7.228 -13.068 -3.319 1.00 65.03 H new ATOM 702 N THR A 49 -5.823 -13.678 -0.926 1.00 25.22 N ATOM 703 CA THR A 49 -5.188 -14.751 -0.171 1.00 20.12 C ATOM 704 C THR A 49 -3.794 -15.052 -0.709 1.00 0.35 C ATOM 705 O THR A 49 -3.458 -14.726 -1.848 1.00 42.30 O ATOM 706 CB THR A 49 -6.030 -16.040 -0.209 1.00 64.00 C ATOM 707 OG1 THR A 49 -6.983 -15.971 -1.277 1.00 24.04 O ATOM 708 CG2 THR A 49 -6.756 -16.252 1.112 1.00 64.55 C ATOM 0 H THR A 49 -5.288 -13.356 -1.732 1.00 25.22 H new ATOM 0 HA THR A 49 -5.110 -14.407 0.860 1.00 20.12 H new ATOM 0 HB THR A 49 -5.358 -16.882 -0.375 1.00 64.00 H new ATOM 0 HG1 THR A 49 -7.514 -16.795 -1.296 1.00 24.04 H new ATOM 0 HG21 THR A 49 -7.344 -17.168 1.061 1.00 64.55 H new ATOM 0 HG22 THR A 49 -6.027 -16.333 1.919 1.00 64.55 H new ATOM 0 HG23 THR A 49 -7.417 -15.407 1.304 1.00 64.55 H new ATOM 716 N PRO A 50 -2.961 -15.691 0.126 1.00 44.01 N ATOM 717 CA PRO A 50 -1.589 -16.051 -0.245 1.00 14.44 C ATOM 718 C PRO A 50 -1.545 -17.159 -1.292 1.00 13.32 C ATOM 719 O PRO A 50 -2.547 -17.815 -1.581 1.00 64.14 O ATOM 720 CB PRO A 50 -0.981 -16.537 1.072 1.00 4.24 C ATOM 721 CG PRO A 50 -2.145 -17.001 1.879 1.00 31.15 C ATOM 722 CD PRO A 50 -3.295 -16.110 1.498 1.00 23.42 C ATOM 0 HA PRO A 50 -1.055 -15.213 -0.693 1.00 14.44 H new ATOM 0 HB2 PRO A 50 -0.268 -17.345 0.905 1.00 4.24 H new ATOM 0 HB3 PRO A 50 -0.442 -15.736 1.579 1.00 4.24 H new ATOM 0 HG2 PRO A 50 -2.374 -18.046 1.668 1.00 31.15 H new ATOM 0 HG3 PRO A 50 -1.933 -16.930 2.946 1.00 31.15 H new ATOM 0 HD2 PRO A 50 -4.245 -16.642 1.536 1.00 23.42 H new ATOM 0 HD3 PRO A 50 -3.381 -15.256 2.169 1.00 23.42 H new ATOM 727 N PRO A 51 -0.357 -17.375 -1.877 1.00 3.23 N ATOM 728 CA PRO A 51 -0.154 -18.404 -2.900 1.00 64.53 C ATOM 729 C PRO A 51 -0.239 -19.815 -2.328 1.00 73.13 C ATOM 730 O PRO A 51 -0.234 -20.020 -1.115 1.00 33.21 O ATOM 731 CB PRO A 51 1.261 -18.119 -3.413 1.00 2.43 C ATOM 732 CG PRO A 51 1.943 -17.432 -2.280 1.00 72.34 C ATOM 733 CD PRO A 51 0.880 -16.631 -1.581 1.00 52.42 C ATOM 0 HA PRO A 51 -0.919 -18.365 -3.675 1.00 64.53 H new ATOM 0 HB2 PRO A 51 1.776 -19.040 -3.686 1.00 2.43 H new ATOM 0 HB3 PRO A 51 1.240 -17.490 -4.303 1.00 2.43 H new ATOM 0 HG2 PRO A 51 2.396 -18.155 -1.602 1.00 72.34 H new ATOM 0 HG3 PRO A 51 2.744 -16.787 -2.640 1.00 72.34 H new ATOM 0 HD2 PRO A 51 1.064 -16.568 -0.509 1.00 52.42 H new ATOM 0 HD3 PRO A 51 0.834 -15.609 -1.957 1.00 52.42 H new ATOM 738 N PRO A 52 -0.320 -20.812 -3.223 1.00 1.44 N ATOM 739 CA PRO A 52 -0.408 -22.222 -2.830 1.00 44.53 C ATOM 740 C PRO A 52 0.894 -22.737 -2.227 1.00 4.33 C ATOM 741 O PRO A 52 1.761 -23.245 -2.938 1.00 41.30 O ATOM 742 CB PRO A 52 -0.707 -22.939 -4.149 1.00 22.34 C ATOM 743 CG PRO A 52 -0.156 -22.041 -5.202 1.00 20.33 C ATOM 744 CD PRO A 52 -0.332 -20.640 -4.685 1.00 71.41 C ATOM 0 HA PRO A 52 -1.162 -22.385 -2.060 1.00 44.53 H new ATOM 0 HB2 PRO A 52 -0.236 -23.922 -4.181 1.00 22.34 H new ATOM 0 HB3 PRO A 52 -1.778 -23.094 -4.281 1.00 22.34 H new ATOM 0 HG2 PRO A 52 0.895 -22.259 -5.389 1.00 20.33 H new ATOM 0 HG3 PRO A 52 -0.683 -22.178 -6.146 1.00 20.33 H new ATOM 0 HD2 PRO A 52 0.472 -19.984 -5.019 1.00 71.41 H new ATOM 0 HD3 PRO A 52 -1.267 -20.199 -5.030 1.00 71.41 H new ATOM 749 N SER A 53 1.024 -22.604 -0.910 1.00 12.52 N ATOM 750 CA SER A 53 2.222 -23.054 -0.211 1.00 31.33 C ATOM 751 C SER A 53 2.062 -24.493 0.272 1.00 52.30 C ATOM 752 O SER A 53 2.878 -24.995 1.044 1.00 44.24 O ATOM 753 CB SER A 53 2.521 -22.136 0.976 1.00 74.40 C ATOM 754 OG SER A 53 3.727 -22.510 1.619 1.00 11.43 O ATOM 0 H SER A 53 0.315 -22.188 -0.306 1.00 12.52 H new ATOM 0 HA SER A 53 3.057 -23.015 -0.911 1.00 31.33 H new ATOM 0 HB2 SER A 53 2.593 -21.104 0.632 1.00 74.40 H new ATOM 0 HB3 SER A 53 1.697 -22.178 1.689 1.00 74.40 H new ATOM 0 HG SER A 53 3.855 -23.478 1.537 1.00 11.43 H new ATOM 759 N ALA A 54 1.003 -25.150 -0.190 1.00 71.41 N ATOM 760 CA ALA A 54 0.735 -26.532 0.193 1.00 64.13 C ATOM 761 C ALA A 54 0.768 -26.698 1.708 1.00 45.03 C ATOM 762 O ALA A 54 1.256 -27.705 2.220 1.00 52.01 O ATOM 763 CB ALA A 54 1.741 -27.465 -0.464 1.00 33.33 C ATOM 0 H ALA A 54 0.317 -24.748 -0.829 1.00 71.41 H new ATOM 0 HA ALA A 54 -0.266 -26.792 -0.153 1.00 64.13 H new ATOM 0 HB1 ALA A 54 1.530 -28.493 -0.170 1.00 33.33 H new ATOM 0 HB2 ALA A 54 1.667 -27.375 -1.548 1.00 33.33 H new ATOM 0 HB3 ALA A 54 2.748 -27.196 -0.146 1.00 33.33 H new ATOM 769 N GLN A 55 0.246 -25.703 2.419 1.00 61.14 N ATOM 770 CA GLN A 55 0.218 -25.740 3.876 1.00 50.21 C ATOM 771 C GLN A 55 -0.979 -24.965 4.417 1.00 35.34 C ATOM 772 O GLN A 55 -0.846 -23.867 4.957 1.00 40.42 O ATOM 773 CB GLN A 55 1.514 -25.162 4.448 1.00 23.02 C ATOM 774 CG GLN A 55 1.888 -23.810 3.863 1.00 61.53 C ATOM 775 CD GLN A 55 3.288 -23.374 4.248 1.00 11.41 C ATOM 776 OE1 GLN A 55 4.263 -24.081 3.991 1.00 2.20 O ATOM 777 NE2 GLN A 55 3.394 -22.204 4.868 1.00 13.22 N ATOM 0 H GLN A 55 -0.163 -24.863 2.010 1.00 61.14 H new ATOM 0 HA GLN A 55 0.125 -26.781 4.185 1.00 50.21 H new ATOM 0 HB2 GLN A 55 1.413 -25.065 5.529 1.00 23.02 H new ATOM 0 HB3 GLN A 55 2.327 -25.865 4.266 1.00 23.02 H new ATOM 0 HG2 GLN A 55 1.812 -23.855 2.777 1.00 61.53 H new ATOM 0 HG3 GLN A 55 1.172 -23.061 4.202 1.00 61.53 H new ATOM 0 HE21 GLN A 55 2.559 -21.651 5.061 1.00 13.22 H new ATOM 0 HE22 GLN A 55 4.311 -21.858 5.151 1.00 13.22 H new ATOM 784 N PRO A 56 -2.178 -25.549 4.269 1.00 2.32 N ATOM 785 CA PRO A 56 -3.422 -24.931 4.737 1.00 74.21 C ATOM 786 C PRO A 56 -3.517 -24.896 6.258 1.00 22.23 C ATOM 787 O PRO A 56 -3.194 -25.875 6.932 1.00 60.21 O ATOM 788 CB PRO A 56 -4.510 -25.837 4.154 1.00 70.45 C ATOM 789 CG PRO A 56 -3.845 -27.158 3.974 1.00 41.01 C ATOM 790 CD PRO A 56 -2.411 -26.857 3.636 1.00 75.41 C ATOM 0 HA PRO A 56 -3.502 -23.890 4.424 1.00 74.21 H new ATOM 0 HB2 PRO A 56 -5.365 -25.912 4.826 1.00 70.45 H new ATOM 0 HB3 PRO A 56 -4.883 -25.449 3.206 1.00 70.45 H new ATOM 0 HG2 PRO A 56 -3.914 -27.757 4.882 1.00 41.01 H new ATOM 0 HG3 PRO A 56 -4.322 -27.730 3.178 1.00 41.01 H new ATOM 0 HD2 PRO A 56 -1.737 -27.619 4.028 1.00 75.41 H new ATOM 0 HD3 PRO A 56 -2.252 -26.816 2.558 1.00 75.41 H new ATOM 795 N TRP A 57 -3.962 -23.766 6.794 1.00 60.14 N ATOM 796 CA TRP A 57 -4.099 -23.605 8.237 1.00 71.21 C ATOM 797 C TRP A 57 -5.559 -23.396 8.624 1.00 23.01 C ATOM 798 O TRP A 57 -5.964 -23.701 9.747 1.00 64.42 O ATOM 799 CB TRP A 57 -3.256 -22.425 8.722 1.00 64.43 C ATOM 800 CG TRP A 57 -2.217 -22.813 9.730 1.00 4.52 C ATOM 801 CD1 TRP A 57 -2.412 -23.538 10.871 1.00 71.04 C ATOM 802 CD2 TRP A 57 -0.822 -22.494 9.689 1.00 31.21 C ATOM 803 NE1 TRP A 57 -1.223 -23.689 11.542 1.00 60.41 N ATOM 804 CE2 TRP A 57 -0.231 -23.059 10.837 1.00 10.34 C ATOM 805 CE3 TRP A 57 -0.013 -21.789 8.794 1.00 52.13 C ATOM 806 CZ2 TRP A 57 1.129 -22.937 11.111 1.00 75.22 C ATOM 807 CZ3 TRP A 57 1.336 -21.669 9.068 1.00 73.33 C ATOM 808 CH2 TRP A 57 1.896 -22.241 10.217 1.00 24.44 C ATOM 0 H TRP A 57 -4.234 -22.947 6.251 1.00 60.14 H new ATOM 0 HA TRP A 57 -3.742 -24.517 8.715 1.00 71.21 H new ATOM 0 HB2 TRP A 57 -2.766 -21.961 7.866 1.00 64.43 H new ATOM 0 HB3 TRP A 57 -3.913 -21.673 9.159 1.00 64.43 H new ATOM 0 HD1 TRP A 57 -3.362 -23.934 11.198 1.00 71.04 H new ATOM 0 HE1 TRP A 57 -1.099 -24.189 12.422 1.00 60.41 H new ATOM 0 HE3 TRP A 57 -0.435 -21.346 7.904 1.00 52.13 H new ATOM 0 HZ2 TRP A 57 1.563 -23.376 11.997 1.00 75.22 H new ATOM 0 HZ3 TRP A 57 1.970 -21.124 8.384 1.00 73.33 H new ATOM 0 HH2 TRP A 57 2.954 -22.131 10.401 1.00 24.44 H new ATOM 818 N LYS A 58 -6.346 -22.874 7.690 1.00 11.12 N ATOM 819 CA LYS A 58 -7.762 -22.625 7.934 1.00 74.13 C ATOM 820 C LYS A 58 -7.950 -21.591 9.039 1.00 40.21 C ATOM 821 O LYS A 58 -8.979 -21.571 9.714 1.00 65.14 O ATOM 822 CB LYS A 58 -8.473 -23.927 8.311 1.00 65.45 C ATOM 823 CG LYS A 58 -9.986 -23.844 8.215 1.00 51.44 C ATOM 824 CD LYS A 58 -10.658 -24.582 9.359 1.00 53.20 C ATOM 825 CE LYS A 58 -11.582 -25.678 8.849 1.00 44.24 C ATOM 826 NZ LYS A 58 -12.422 -26.248 9.939 1.00 22.42 N ATOM 0 H LYS A 58 -6.027 -22.615 6.756 1.00 11.12 H new ATOM 0 HA LYS A 58 -8.200 -22.233 7.016 1.00 74.13 H new ATOM 0 HB2 LYS A 58 -8.119 -24.726 7.659 1.00 65.45 H new ATOM 0 HB3 LYS A 58 -8.196 -24.200 9.329 1.00 65.45 H new ATOM 0 HG2 LYS A 58 -10.295 -22.799 8.224 1.00 51.44 H new ATOM 0 HG3 LYS A 58 -10.315 -24.266 7.265 1.00 51.44 H new ATOM 0 HD2 LYS A 58 -9.899 -25.018 10.008 1.00 53.20 H new ATOM 0 HD3 LYS A 58 -11.228 -23.876 9.964 1.00 53.20 H new ATOM 0 HE2 LYS A 58 -12.226 -25.275 8.067 1.00 44.24 H new ATOM 0 HE3 LYS A 58 -10.988 -26.472 8.395 1.00 44.24 H new ATOM 0 HZ1 LYS A 58 -13.037 -26.991 9.551 1.00 22.42 H new ATOM 0 HZ2 LYS A 58 -11.808 -26.655 10.673 1.00 22.42 H new ATOM 0 HZ3 LYS A 58 -13.008 -25.496 10.355 1.00 22.42 H new ATOM 836 N GLY A 59 -6.951 -20.733 9.217 1.00 4.32 N ATOM 837 CA GLY A 59 -7.027 -19.707 10.241 1.00 54.31 C ATOM 838 C GLY A 59 -7.312 -18.333 9.667 1.00 35.32 C ATOM 839 O GLY A 59 -8.366 -18.110 9.070 1.00 52.00 O ATOM 0 H GLY A 59 -6.090 -20.730 8.670 1.00 4.32 H new ATOM 0 HA2 GLY A 59 -7.808 -19.968 10.955 1.00 54.31 H new ATOM 0 HA3 GLY A 59 -6.087 -19.679 10.793 1.00 54.31 H new ATOM 843 N ASP A 60 -6.373 -17.412 9.847 1.00 4.15 N ATOM 844 CA ASP A 60 -6.528 -16.053 9.342 1.00 12.45 C ATOM 845 C ASP A 60 -5.201 -15.302 9.387 1.00 52.14 C ATOM 846 O ASP A 60 -5.019 -14.360 10.159 1.00 53.41 O ATOM 847 CB ASP A 60 -7.582 -15.300 10.158 1.00 33.43 C ATOM 848 CG ASP A 60 -8.970 -15.420 9.559 1.00 10.40 C ATOM 849 OD1 ASP A 60 -9.145 -15.034 8.385 1.00 51.10 O ATOM 850 OD2 ASP A 60 -9.882 -15.899 10.266 1.00 71.33 O ATOM 0 H ASP A 60 -5.496 -17.581 10.339 1.00 4.15 H new ATOM 0 HA ASP A 60 -6.857 -16.112 8.304 1.00 12.45 H new ATOM 0 HB2 ASP A 60 -7.594 -15.687 11.177 1.00 33.43 H new ATOM 0 HB3 ASP A 60 -7.306 -14.247 10.220 1.00 33.43 H new ATOM 854 N PRO A 61 -4.252 -15.727 8.541 1.00 65.41 N ATOM 855 CA PRO A 61 -2.924 -15.109 8.466 1.00 73.11 C ATOM 856 C PRO A 61 -2.971 -13.709 7.864 1.00 74.30 C ATOM 857 O PRO A 61 -2.645 -13.515 6.693 1.00 54.14 O ATOM 858 CB PRO A 61 -2.143 -16.058 7.554 1.00 70.45 C ATOM 859 CG PRO A 61 -3.183 -16.723 6.719 1.00 20.53 C ATOM 860 CD PRO A 61 -4.400 -16.844 7.593 1.00 10.23 C ATOM 0 HA PRO A 61 -2.477 -14.980 9.452 1.00 73.11 H new ATOM 0 HB2 PRO A 61 -1.428 -15.514 6.937 1.00 70.45 H new ATOM 0 HB3 PRO A 61 -1.575 -16.786 8.133 1.00 70.45 H new ATOM 0 HG2 PRO A 61 -3.400 -16.137 5.826 1.00 20.53 H new ATOM 0 HG3 PRO A 61 -2.845 -17.703 6.382 1.00 20.53 H new ATOM 0 HD2 PRO A 61 -5.320 -16.761 7.014 1.00 10.23 H new ATOM 0 HD3 PRO A 61 -4.432 -17.805 8.106 1.00 10.23 H new ATOM 865 N VAL A 62 -3.377 -12.735 8.672 1.00 34.43 N ATOM 866 CA VAL A 62 -3.465 -11.352 8.219 1.00 31.12 C ATOM 867 C VAL A 62 -2.124 -10.864 7.682 1.00 0.11 C ATOM 868 O VAL A 62 -2.069 -9.951 6.860 1.00 3.21 O ATOM 869 CB VAL A 62 -3.922 -10.418 9.354 1.00 4.32 C ATOM 870 CG1 VAL A 62 -3.994 -8.979 8.866 1.00 52.03 C ATOM 871 CG2 VAL A 62 -5.264 -10.870 9.909 1.00 71.42 C ATOM 0 H VAL A 62 -3.650 -12.878 9.644 1.00 34.43 H new ATOM 0 HA VAL A 62 -4.205 -11.327 7.419 1.00 31.12 H new ATOM 0 HB VAL A 62 -3.188 -10.467 10.158 1.00 4.32 H new ATOM 0 HG11 VAL A 62 -4.319 -8.334 9.682 1.00 52.03 H new ATOM 0 HG12 VAL A 62 -3.009 -8.662 8.522 1.00 52.03 H new ATOM 0 HG13 VAL A 62 -4.705 -8.909 8.043 1.00 52.03 H new ATOM 0 HG21 VAL A 62 -5.571 -10.198 10.710 1.00 71.42 H new ATOM 0 HG22 VAL A 62 -6.010 -10.853 9.115 1.00 71.42 H new ATOM 0 HG23 VAL A 62 -5.173 -11.883 10.300 1.00 71.42 H new ATOM 881 N GLU A 63 -1.044 -11.480 8.154 1.00 31.51 N ATOM 882 CA GLU A 63 0.298 -11.107 7.721 1.00 54.23 C ATOM 883 C GLU A 63 0.451 -11.282 6.213 1.00 52.55 C ATOM 884 O GLU A 63 1.070 -10.456 5.542 1.00 53.52 O ATOM 885 CB GLU A 63 1.346 -11.948 8.452 1.00 54.42 C ATOM 886 CG GLU A 63 2.365 -11.120 9.217 1.00 31.33 C ATOM 887 CD GLU A 63 3.622 -11.902 9.545 1.00 24.20 C ATOM 888 OE1 GLU A 63 4.257 -12.427 8.607 1.00 71.34 O ATOM 889 OE2 GLU A 63 3.972 -11.986 10.741 1.00 63.34 O ATOM 0 H GLU A 63 -1.072 -12.239 8.835 1.00 31.51 H new ATOM 0 HA GLU A 63 0.452 -10.056 7.965 1.00 54.23 H new ATOM 0 HB2 GLU A 63 0.841 -12.619 9.146 1.00 54.42 H new ATOM 0 HB3 GLU A 63 1.868 -12.573 7.727 1.00 54.42 H new ATOM 0 HG2 GLU A 63 2.631 -10.242 8.628 1.00 31.33 H new ATOM 0 HG3 GLU A 63 1.914 -10.759 10.141 1.00 31.33 H new ATOM 894 N GLN A 64 -0.117 -12.363 5.688 1.00 53.21 N ATOM 895 CA GLN A 64 -0.043 -12.647 4.260 1.00 72.03 C ATOM 896 C GLN A 64 -1.205 -11.998 3.514 1.00 33.43 C ATOM 897 O GLN A 64 -1.106 -11.707 2.322 1.00 72.45 O ATOM 898 CB GLN A 64 -0.045 -14.157 4.017 1.00 22.33 C ATOM 899 CG GLN A 64 1.219 -14.668 3.345 1.00 62.24 C ATOM 900 CD GLN A 64 2.404 -14.715 4.290 1.00 21.43 C ATOM 901 OE1 GLN A 64 2.567 -13.845 5.146 1.00 54.23 O ATOM 902 NE2 GLN A 64 3.240 -15.737 4.139 1.00 42.52 N ATOM 0 H GLN A 64 -0.633 -13.056 6.230 1.00 53.21 H new ATOM 0 HA GLN A 64 0.888 -12.227 3.880 1.00 72.03 H new ATOM 0 HB2 GLN A 64 -0.172 -14.670 4.971 1.00 22.33 H new ATOM 0 HB3 GLN A 64 -0.905 -14.416 3.399 1.00 22.33 H new ATOM 0 HG2 GLN A 64 1.036 -15.666 2.947 1.00 62.24 H new ATOM 0 HG3 GLN A 64 1.460 -14.026 2.497 1.00 62.24 H new ATOM 0 HE21 GLN A 64 3.066 -16.435 3.416 1.00 42.52 H new ATOM 0 HE22 GLN A 64 4.055 -15.823 4.746 1.00 42.52 H new ATOM 909 N LEU A 65 -2.306 -11.777 4.224 1.00 61.41 N ATOM 910 CA LEU A 65 -3.489 -11.164 3.629 1.00 24.13 C ATOM 911 C LEU A 65 -3.260 -9.678 3.375 1.00 53.45 C ATOM 912 O LEU A 65 -3.996 -9.047 2.614 1.00 70.12 O ATOM 913 CB LEU A 65 -4.701 -11.356 4.542 1.00 22.05 C ATOM 914 CG LEU A 65 -5.080 -12.804 4.857 1.00 73.34 C ATOM 915 CD1 LEU A 65 -5.871 -12.879 6.154 1.00 65.11 C ATOM 916 CD2 LEU A 65 -5.877 -13.409 3.709 1.00 44.40 C ATOM 0 H LEU A 65 -2.404 -12.013 5.211 1.00 61.41 H new ATOM 0 HA LEU A 65 -3.681 -11.653 2.674 1.00 24.13 H new ATOM 0 HB2 LEU A 65 -4.508 -10.839 5.482 1.00 22.05 H new ATOM 0 HB3 LEU A 65 -5.560 -10.869 4.080 1.00 22.05 H new ATOM 0 HG LEU A 65 -4.163 -13.380 4.980 1.00 73.34 H new ATOM 0 HD11 LEU A 65 -6.132 -13.917 6.362 1.00 65.11 H new ATOM 0 HD12 LEU A 65 -5.267 -12.486 6.972 1.00 65.11 H new ATOM 0 HD13 LEU A 65 -6.782 -12.288 6.059 1.00 65.11 H new ATOM 0 HD21 LEU A 65 -6.138 -14.439 3.951 1.00 44.40 H new ATOM 0 HD22 LEU A 65 -6.788 -12.831 3.554 1.00 44.40 H new ATOM 0 HD23 LEU A 65 -5.276 -13.391 2.800 1.00 44.40 H new ATOM 927 N VAL A 66 -2.237 -9.123 4.014 1.00 44.43 N ATOM 928 CA VAL A 66 -1.910 -7.711 3.855 1.00 45.14 C ATOM 929 C VAL A 66 -0.437 -7.524 3.508 1.00 51.33 C ATOM 930 O VAL A 66 0.446 -7.971 4.240 1.00 53.55 O ATOM 931 CB VAL A 66 -2.230 -6.912 5.133 1.00 52.12 C ATOM 932 CG1 VAL A 66 -1.845 -5.451 4.960 1.00 24.51 C ATOM 933 CG2 VAL A 66 -3.703 -7.045 5.488 1.00 15.21 C ATOM 0 H VAL A 66 -1.619 -9.630 4.648 1.00 44.43 H new ATOM 0 HA VAL A 66 -2.524 -7.335 3.037 1.00 45.14 H new ATOM 0 HB VAL A 66 -1.643 -7.322 5.954 1.00 52.12 H new ATOM 0 HG11 VAL A 66 -2.078 -4.903 5.873 1.00 24.51 H new ATOM 0 HG12 VAL A 66 -0.777 -5.378 4.756 1.00 24.51 H new ATOM 0 HG13 VAL A 66 -2.404 -5.024 4.127 1.00 24.51 H new ATOM 0 HG21 VAL A 66 -3.912 -6.475 6.393 1.00 15.21 H new ATOM 0 HG22 VAL A 66 -4.311 -6.661 4.669 1.00 15.21 H new ATOM 0 HG23 VAL A 66 -3.943 -8.095 5.657 1.00 15.21 H new ATOM 943 N ARG A 67 -0.179 -6.859 2.386 1.00 10.32 N ATOM 944 CA ARG A 67 1.188 -6.613 1.941 1.00 74.23 C ATOM 945 C ARG A 67 1.537 -5.132 2.053 1.00 62.03 C ATOM 946 O ARG A 67 0.939 -4.289 1.383 1.00 23.24 O ATOM 947 CB ARG A 67 1.368 -7.083 0.496 1.00 5.21 C ATOM 948 CG ARG A 67 2.346 -8.236 0.349 1.00 20.31 C ATOM 949 CD ARG A 67 1.641 -9.511 -0.088 1.00 24.45 C ATOM 950 NE ARG A 67 2.518 -10.677 -0.008 1.00 4.42 N ATOM 951 CZ ARG A 67 2.802 -11.306 1.128 1.00 63.24 C ATOM 952 NH1 ARG A 67 2.281 -10.883 2.272 1.00 33.21 N ATOM 953 NH2 ARG A 67 3.608 -12.359 1.121 1.00 60.25 N ATOM 0 H ARG A 67 -0.898 -6.481 1.769 1.00 10.32 H new ATOM 0 HA ARG A 67 1.862 -7.177 2.586 1.00 74.23 H new ATOM 0 HB2 ARG A 67 0.400 -7.386 0.098 1.00 5.21 H new ATOM 0 HB3 ARG A 67 1.713 -6.245 -0.109 1.00 5.21 H new ATOM 0 HG2 ARG A 67 3.112 -7.974 -0.381 1.00 20.31 H new ATOM 0 HG3 ARG A 67 2.854 -8.407 1.298 1.00 20.31 H new ATOM 0 HD2 ARG A 67 0.764 -9.673 0.539 1.00 24.45 H new ATOM 0 HD3 ARG A 67 1.284 -9.395 -1.111 1.00 24.45 H new ATOM 0 HE ARG A 67 2.935 -11.027 -0.871 1.00 4.42 H new ATOM 0 HH11 ARG A 67 1.661 -10.073 2.281 1.00 33.21 H new ATOM 0 HH12 ARG A 67 2.500 -11.367 3.142 1.00 33.21 H new ATOM 0 HH21 ARG A 67 4.011 -12.687 0.243 1.00 60.25 H new ATOM 0 HH22 ARG A 67 3.825 -12.841 1.993 1.00 60.25 H new ATOM 964 N HIS A 68 2.510 -4.822 2.905 1.00 42.24 N ATOM 965 CA HIS A 68 2.940 -3.442 3.105 1.00 1.54 C ATOM 966 C HIS A 68 4.416 -3.277 2.756 1.00 1.45 C ATOM 967 O HIS A 68 5.272 -3.984 3.287 1.00 33.13 O ATOM 968 CB HIS A 68 2.694 -3.014 4.552 1.00 21.22 C ATOM 969 CG HIS A 68 3.451 -3.831 5.555 1.00 33.41 C ATOM 970 ND1 HIS A 68 2.974 -5.017 6.073 1.00 60.24 N ATOM 971 CD2 HIS A 68 4.658 -3.629 6.132 1.00 1.41 C ATOM 972 CE1 HIS A 68 3.854 -5.507 6.927 1.00 14.24 C ATOM 973 NE2 HIS A 68 4.886 -4.684 6.981 1.00 14.52 N ATOM 0 H HIS A 68 3.015 -5.507 3.467 1.00 42.24 H new ATOM 0 HA HIS A 68 2.355 -2.805 2.442 1.00 1.54 H new ATOM 0 HB2 HIS A 68 2.972 -1.966 4.665 1.00 21.22 H new ATOM 0 HB3 HIS A 68 1.628 -3.086 4.767 1.00 21.22 H new ATOM 0 HD2 HIS A 68 5.319 -2.793 5.957 1.00 1.41 H new ATOM 0 HE1 HIS A 68 3.748 -6.425 7.486 1.00 14.24 H new ATOM 0 HE2 HIS A 68 5.717 -4.811 7.559 1.00 14.52 H new ATOM 980 N PHE A 69 4.705 -2.340 1.860 1.00 52.10 N ATOM 981 CA PHE A 69 6.077 -2.083 1.439 1.00 71.34 C ATOM 982 C PHE A 69 6.393 -0.590 1.493 1.00 33.53 C ATOM 983 O PHE A 69 5.494 0.248 1.425 1.00 44.23 O ATOM 984 CB PHE A 69 6.306 -2.613 0.021 1.00 41.13 C ATOM 985 CG PHE A 69 6.479 -4.103 -0.041 1.00 61.51 C ATOM 986 CD1 PHE A 69 7.455 -4.732 0.715 1.00 14.20 C ATOM 987 CD2 PHE A 69 5.666 -4.875 -0.855 1.00 52.21 C ATOM 988 CE1 PHE A 69 7.616 -6.104 0.659 1.00 44.13 C ATOM 989 CE2 PHE A 69 5.823 -6.247 -0.915 1.00 73.13 C ATOM 990 CZ PHE A 69 6.799 -6.862 -0.156 1.00 73.32 C ATOM 0 H PHE A 69 4.008 -1.746 1.411 1.00 52.10 H new ATOM 0 HA PHE A 69 6.744 -2.603 2.126 1.00 71.34 H new ATOM 0 HB2 PHE A 69 5.462 -2.327 -0.606 1.00 41.13 H new ATOM 0 HB3 PHE A 69 7.191 -2.135 -0.399 1.00 41.13 H new ATOM 0 HD1 PHE A 69 8.097 -4.144 1.355 1.00 14.20 H new ATOM 0 HD2 PHE A 69 4.900 -4.399 -1.450 1.00 52.21 H new ATOM 0 HE1 PHE A 69 8.381 -6.583 1.253 1.00 44.13 H new ATOM 0 HE2 PHE A 69 5.183 -6.837 -1.555 1.00 73.13 H new ATOM 0 HZ PHE A 69 6.923 -7.934 -0.200 1.00 73.32 H new ATOM 999 N LEU A 70 7.676 -0.268 1.617 1.00 72.12 N ATOM 1000 CA LEU A 70 8.112 1.123 1.682 1.00 55.21 C ATOM 1001 C LEU A 70 8.596 1.605 0.319 1.00 65.35 C ATOM 1002 O LEU A 70 9.511 1.025 -0.268 1.00 5.40 O ATOM 1003 CB LEU A 70 9.227 1.281 2.717 1.00 13.21 C ATOM 1004 CG LEU A 70 10.347 0.241 2.661 1.00 75.14 C ATOM 1005 CD1 LEU A 70 11.681 0.874 3.025 1.00 1.34 C ATOM 1006 CD2 LEU A 70 10.038 -0.927 3.586 1.00 54.13 C ATOM 0 H LEU A 70 8.432 -0.950 1.675 1.00 72.12 H new ATOM 0 HA LEU A 70 7.259 1.732 1.981 1.00 55.21 H new ATOM 0 HB2 LEU A 70 9.670 2.270 2.596 1.00 13.21 H new ATOM 0 HB3 LEU A 70 8.780 1.251 3.711 1.00 13.21 H new ATOM 0 HG LEU A 70 10.414 -0.138 1.641 1.00 75.14 H new ATOM 0 HD11 LEU A 70 12.466 0.119 2.980 1.00 1.34 H new ATOM 0 HD12 LEU A 70 11.907 1.676 2.322 1.00 1.34 H new ATOM 0 HD13 LEU A 70 11.627 1.281 4.035 1.00 1.34 H new ATOM 0 HD21 LEU A 70 10.846 -1.657 3.533 1.00 54.13 H new ATOM 0 HD22 LEU A 70 9.943 -0.565 4.610 1.00 54.13 H new ATOM 0 HD23 LEU A 70 9.104 -1.397 3.279 1.00 54.13 H new ATOM 1017 N ILE A 71 7.978 2.671 -0.180 1.00 2.22 N ATOM 1018 CA ILE A 71 8.350 3.233 -1.472 1.00 54.12 C ATOM 1019 C ILE A 71 9.231 4.467 -1.303 1.00 14.32 C ATOM 1020 O ILE A 71 8.951 5.330 -0.472 1.00 64.23 O ATOM 1021 CB ILE A 71 7.106 3.613 -2.299 1.00 31.10 C ATOM 1022 CG1 ILE A 71 6.085 2.474 -2.277 1.00 23.32 C ATOM 1023 CG2 ILE A 71 7.503 3.950 -3.728 1.00 15.11 C ATOM 1024 CD1 ILE A 71 4.806 2.795 -3.018 1.00 63.11 C ATOM 0 H ILE A 71 7.218 3.162 0.291 1.00 2.22 H new ATOM 0 HA ILE A 71 8.908 2.462 -2.003 1.00 54.12 H new ATOM 0 HB ILE A 71 6.647 4.495 -1.853 1.00 31.10 H new ATOM 0 HG12 ILE A 71 6.536 1.584 -2.716 1.00 23.32 H new ATOM 0 HG13 ILE A 71 5.845 2.232 -1.242 1.00 23.32 H new ATOM 0 HG21 ILE A 71 6.614 4.216 -4.299 1.00 15.11 H new ATOM 0 HG22 ILE A 71 8.197 4.790 -3.724 1.00 15.11 H new ATOM 0 HG23 ILE A 71 7.983 3.085 -4.186 1.00 15.11 H new ATOM 0 HD11 ILE A 71 4.129 1.943 -2.961 1.00 63.11 H new ATOM 0 HD12 ILE A 71 4.332 3.666 -2.565 1.00 63.11 H new ATOM 0 HD13 ILE A 71 5.034 3.008 -4.062 1.00 63.11 H new ATOM 1035 N GLU A 72 10.293 4.542 -2.099 1.00 53.54 N ATOM 1036 CA GLU A 72 11.213 5.671 -2.037 1.00 22.24 C ATOM 1037 C GLU A 72 11.147 6.498 -3.318 1.00 40.21 C ATOM 1038 O GLU A 72 11.191 5.956 -4.423 1.00 51.23 O ATOM 1039 CB GLU A 72 12.644 5.179 -1.808 1.00 31.40 C ATOM 1040 CG GLU A 72 13.138 5.384 -0.386 1.00 1.31 C ATOM 1041 CD GLU A 72 14.633 5.171 -0.252 1.00 4.31 C ATOM 1042 OE1 GLU A 72 15.264 4.750 -1.244 1.00 14.23 O ATOM 1043 OE2 GLU A 72 15.173 5.425 0.845 1.00 25.41 O ATOM 0 H GLU A 72 10.537 3.836 -2.793 1.00 53.54 H new ATOM 0 HA GLU A 72 10.915 6.304 -1.201 1.00 22.24 H new ATOM 0 HB2 GLU A 72 12.698 4.118 -2.053 1.00 31.40 H new ATOM 0 HB3 GLU A 72 13.312 5.699 -2.494 1.00 31.40 H new ATOM 0 HG2 GLU A 72 12.888 6.394 -0.060 1.00 1.31 H new ATOM 0 HG3 GLU A 72 12.616 4.696 0.279 1.00 1.31 H new ATOM 1048 N THR A 73 11.042 7.814 -3.161 1.00 33.24 N ATOM 1049 CA THR A 73 10.968 8.716 -4.303 1.00 14.14 C ATOM 1050 C THR A 73 12.121 9.712 -4.292 1.00 52.04 C ATOM 1051 O THR A 73 12.420 10.320 -3.266 1.00 41.52 O ATOM 1052 CB THR A 73 9.636 9.490 -4.322 1.00 34.24 C ATOM 1053 OG1 THR A 73 9.564 10.314 -5.491 1.00 22.23 O ATOM 1054 CG2 THR A 73 9.494 10.353 -3.078 1.00 11.43 C ATOM 0 H THR A 73 11.006 8.279 -2.254 1.00 33.24 H new ATOM 0 HA THR A 73 11.034 8.098 -5.199 1.00 14.14 H new ATOM 0 HB THR A 73 8.821 8.766 -4.338 1.00 34.24 H new ATOM 0 HG1 THR A 73 8.714 10.801 -5.496 1.00 22.23 H new ATOM 0 HG21 THR A 73 8.546 10.890 -3.114 1.00 11.43 H new ATOM 0 HG22 THR A 73 9.519 9.720 -2.191 1.00 11.43 H new ATOM 0 HG23 THR A 73 10.315 11.069 -3.036 1.00 11.43 H new ATOM 1062 N GLY A 74 12.767 9.876 -5.443 1.00 73.14 N ATOM 1063 CA GLY A 74 13.880 10.800 -5.545 1.00 44.42 C ATOM 1064 C GLY A 74 14.027 11.382 -6.936 1.00 54.25 C ATOM 1065 O GLY A 74 13.124 11.293 -7.768 1.00 54.24 O ATOM 0 H GLY A 74 12.538 9.384 -6.307 1.00 73.14 H new ATOM 0 HA2 GLY A 74 13.742 11.610 -4.829 1.00 44.42 H new ATOM 0 HA3 GLY A 74 14.801 10.286 -5.271 1.00 44.42 H new ATOM 1069 N PRO A 75 15.188 11.997 -7.206 1.00 63.21 N ATOM 1070 CA PRO A 75 15.476 12.609 -8.507 1.00 52.30 C ATOM 1071 C PRO A 75 15.657 11.571 -9.608 1.00 33.43 C ATOM 1072 O PRO A 75 15.774 11.913 -10.786 1.00 3.13 O ATOM 1073 CB PRO A 75 16.786 13.362 -8.261 1.00 41.03 C ATOM 1074 CG PRO A 75 17.432 12.641 -7.129 1.00 53.43 C ATOM 1075 CD PRO A 75 16.309 12.141 -6.263 1.00 5.10 C ATOM 0 HA PRO A 75 14.660 13.245 -8.848 1.00 52.30 H new ATOM 0 HB2 PRO A 75 17.419 13.354 -9.148 1.00 41.03 H new ATOM 0 HB3 PRO A 75 16.601 14.407 -8.011 1.00 41.03 H new ATOM 0 HG2 PRO A 75 18.044 11.815 -7.491 1.00 53.43 H new ATOM 0 HG3 PRO A 75 18.091 13.304 -6.569 1.00 53.43 H new ATOM 0 HD2 PRO A 75 16.559 11.192 -5.789 1.00 5.10 H new ATOM 0 HD3 PRO A 75 16.074 12.844 -5.464 1.00 5.10 H new ATOM 1080 N LYS A 76 15.678 10.300 -9.220 1.00 42.04 N ATOM 1081 CA LYS A 76 15.843 9.211 -10.175 1.00 52.12 C ATOM 1082 C LYS A 76 14.528 8.467 -10.384 1.00 11.42 C ATOM 1083 O LYS A 76 14.463 7.502 -11.143 1.00 31.52 O ATOM 1084 CB LYS A 76 16.919 8.238 -9.689 1.00 62.40 C ATOM 1085 CG LYS A 76 18.297 8.866 -9.567 1.00 63.05 C ATOM 1086 CD LYS A 76 19.290 8.223 -10.521 1.00 52.10 C ATOM 1087 CE LYS A 76 20.089 7.125 -9.836 1.00 61.43 C ATOM 1088 NZ LYS A 76 19.751 5.777 -10.370 1.00 63.45 N ATOM 0 H LYS A 76 15.583 9.999 -8.250 1.00 42.04 H new ATOM 0 HA LYS A 76 16.153 9.640 -11.128 1.00 52.12 H new ATOM 0 HB2 LYS A 76 16.624 7.838 -8.719 1.00 62.40 H new ATOM 0 HB3 LYS A 76 16.973 7.395 -10.378 1.00 62.40 H new ATOM 0 HG2 LYS A 76 18.231 9.934 -9.775 1.00 63.05 H new ATOM 0 HG3 LYS A 76 18.656 8.762 -8.543 1.00 63.05 H new ATOM 0 HD2 LYS A 76 18.758 7.807 -11.377 1.00 52.10 H new ATOM 0 HD3 LYS A 76 19.970 8.983 -10.907 1.00 52.10 H new ATOM 0 HE2 LYS A 76 21.154 7.313 -9.972 1.00 61.43 H new ATOM 0 HE3 LYS A 76 19.895 7.150 -8.764 1.00 61.43 H new ATOM 0 HZ1 LYS A 76 20.317 5.057 -9.877 1.00 63.45 H new ATOM 0 HZ2 LYS A 76 18.740 5.587 -10.218 1.00 63.45 H new ATOM 0 HZ3 LYS A 76 19.960 5.745 -11.388 1.00 63.45 H new ATOM 1098 N GLY A 77 13.480 8.924 -9.704 1.00 30.40 N ATOM 1099 CA GLY A 77 12.181 8.290 -9.830 1.00 50.21 C ATOM 1100 C GLY A 77 11.725 7.640 -8.539 1.00 31.34 C ATOM 1101 O GLY A 77 12.455 7.632 -7.548 1.00 70.11 O ATOM 0 H GLY A 77 13.508 9.721 -9.069 1.00 30.40 H new ATOM 0 HA2 GLY A 77 11.446 9.033 -10.138 1.00 50.21 H new ATOM 0 HA3 GLY A 77 12.222 7.537 -10.617 1.00 50.21 H new ATOM 1105 N VAL A 78 10.513 7.094 -8.549 1.00 74.30 N ATOM 1106 CA VAL A 78 9.960 6.437 -7.369 1.00 60.04 C ATOM 1107 C VAL A 78 9.838 4.934 -7.584 1.00 31.04 C ATOM 1108 O VAL A 78 9.251 4.480 -8.567 1.00 43.14 O ATOM 1109 CB VAL A 78 8.576 7.008 -7.007 1.00 61.32 C ATOM 1110 CG1 VAL A 78 7.603 6.821 -8.162 1.00 24.01 C ATOM 1111 CG2 VAL A 78 8.046 6.354 -5.741 1.00 24.03 C ATOM 0 H VAL A 78 9.895 7.093 -9.361 1.00 74.30 H new ATOM 0 HA VAL A 78 10.650 6.628 -6.547 1.00 60.04 H new ATOM 0 HB VAL A 78 8.680 8.077 -6.820 1.00 61.32 H new ATOM 0 HG11 VAL A 78 6.631 7.230 -7.888 1.00 24.01 H new ATOM 0 HG12 VAL A 78 7.980 7.340 -9.043 1.00 24.01 H new ATOM 0 HG13 VAL A 78 7.500 5.759 -8.383 1.00 24.01 H new ATOM 0 HG21 VAL A 78 7.067 6.769 -5.499 1.00 24.03 H new ATOM 0 HG22 VAL A 78 7.956 5.279 -5.897 1.00 24.03 H new ATOM 0 HG23 VAL A 78 8.734 6.545 -4.918 1.00 24.03 H new ATOM 1121 N LYS A 79 10.396 4.162 -6.656 1.00 73.40 N ATOM 1122 CA LYS A 79 10.349 2.708 -6.741 1.00 34.43 C ATOM 1123 C LYS A 79 9.838 2.103 -5.438 1.00 23.33 C ATOM 1124 O LYS A 79 10.026 2.673 -4.363 1.00 3.02 O ATOM 1125 CB LYS A 79 11.737 2.150 -7.065 1.00 13.22 C ATOM 1126 CG LYS A 79 12.737 2.311 -5.934 1.00 51.21 C ATOM 1127 CD LYS A 79 13.881 3.232 -6.327 1.00 14.43 C ATOM 1128 CE LYS A 79 13.634 4.658 -5.860 1.00 10.21 C ATOM 1129 NZ LYS A 79 14.899 5.344 -5.482 1.00 65.15 N ATOM 0 H LYS A 79 10.886 4.521 -5.836 1.00 73.40 H new ATOM 0 HA LYS A 79 9.660 2.438 -7.541 1.00 34.43 H new ATOM 0 HB2 LYS A 79 11.646 1.092 -7.310 1.00 13.22 H new ATOM 0 HB3 LYS A 79 12.122 2.651 -7.953 1.00 13.22 H new ATOM 0 HG2 LYS A 79 12.232 2.711 -5.055 1.00 51.21 H new ATOM 0 HG3 LYS A 79 13.134 1.335 -5.656 1.00 51.21 H new ATOM 0 HD2 LYS A 79 14.811 2.863 -5.896 1.00 14.43 H new ATOM 0 HD3 LYS A 79 14.004 3.219 -7.410 1.00 14.43 H new ATOM 0 HE2 LYS A 79 13.139 5.219 -6.653 1.00 10.21 H new ATOM 0 HE3 LYS A 79 12.957 4.648 -5.006 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 14.688 6.313 -5.169 1.00 65.15 H new ATOM 0 HZ2 LYS A 79 15.359 4.823 -4.708 1.00 65.15 H new ATOM 0 HZ3 LYS A 79 15.535 5.376 -6.304 1.00 65.15 H new ATOM 1139 N ILE A 80 9.192 0.946 -5.540 1.00 62.50 N ATOM 1140 CA ILE A 80 8.658 0.264 -4.368 1.00 73.43 C ATOM 1141 C ILE A 80 9.626 -0.800 -3.861 1.00 35.40 C ATOM 1142 O ILE A 80 9.967 -1.739 -4.582 1.00 61.40 O ATOM 1143 CB ILE A 80 7.301 -0.397 -4.673 1.00 14.54 C ATOM 1144 CG1 ILE A 80 6.371 0.595 -5.375 1.00 62.33 C ATOM 1145 CG2 ILE A 80 6.663 -0.911 -3.390 1.00 74.50 C ATOM 1146 CD1 ILE A 80 6.380 0.469 -6.882 1.00 61.42 C ATOM 0 H ILE A 80 9.026 0.462 -6.422 1.00 62.50 H new ATOM 0 HA ILE A 80 8.520 1.022 -3.597 1.00 73.43 H new ATOM 0 HB ILE A 80 7.468 -1.244 -5.339 1.00 14.54 H new ATOM 0 HG12 ILE A 80 5.354 0.446 -5.012 1.00 62.33 H new ATOM 0 HG13 ILE A 80 6.662 1.609 -5.102 1.00 62.33 H new ATOM 0 HG21 ILE A 80 5.704 -1.376 -3.621 1.00 74.50 H new ATOM 0 HG22 ILE A 80 7.320 -1.646 -2.926 1.00 74.50 H new ATOM 0 HG23 ILE A 80 6.507 -0.079 -2.703 1.00 74.50 H new ATOM 0 HD11 ILE A 80 5.698 1.203 -7.313 1.00 61.42 H new ATOM 0 HD12 ILE A 80 7.388 0.647 -7.256 1.00 61.42 H new ATOM 0 HD13 ILE A 80 6.060 -0.534 -7.165 1.00 61.42 H new ATOM 1157 N LYS A 81 10.065 -0.649 -2.617 1.00 53.22 N ATOM 1158 CA LYS A 81 10.991 -1.597 -2.011 1.00 3.43 C ATOM 1159 C LYS A 81 10.337 -2.964 -1.842 1.00 22.54 C ATOM 1160 O LYS A 81 9.329 -3.101 -1.150 1.00 51.23 O ATOM 1161 CB LYS A 81 11.469 -1.078 -0.652 1.00 75.25 C ATOM 1162 CG LYS A 81 12.828 -1.616 -0.239 1.00 14.00 C ATOM 1163 CD LYS A 81 12.718 -3.012 0.350 1.00 4.43 C ATOM 1164 CE LYS A 81 13.040 -3.017 1.837 1.00 72.24 C ATOM 1165 NZ LYS A 81 13.753 -4.258 2.246 1.00 24.44 N ATOM 0 H LYS A 81 9.794 0.123 -2.008 1.00 53.22 H new ATOM 0 HA LYS A 81 11.849 -1.703 -2.675 1.00 3.43 H new ATOM 0 HB2 LYS A 81 11.513 0.011 -0.683 1.00 75.25 H new ATOM 0 HB3 LYS A 81 10.735 -1.346 0.108 1.00 75.25 H new ATOM 0 HG2 LYS A 81 13.491 -1.636 -1.104 1.00 14.00 H new ATOM 0 HG3 LYS A 81 13.279 -0.946 0.493 1.00 14.00 H new ATOM 0 HD2 LYS A 81 11.710 -3.395 0.194 1.00 4.43 H new ATOM 0 HD3 LYS A 81 13.399 -3.683 -0.173 1.00 4.43 H new ATOM 0 HE2 LYS A 81 13.654 -2.149 2.079 1.00 72.24 H new ATOM 0 HE3 LYS A 81 12.117 -2.923 2.409 1.00 72.24 H new ATOM 0 HZ1 LYS A 81 13.954 -4.223 3.266 1.00 24.44 H new ATOM 0 HZ2 LYS A 81 13.157 -5.085 2.039 1.00 24.44 H new ATOM 0 HZ3 LYS A 81 14.646 -4.335 1.719 1.00 24.44 H new ATOM 1175 N GLY A 82 10.919 -3.976 -2.479 1.00 13.13 N ATOM 1176 CA GLY A 82 10.380 -5.321 -2.386 1.00 50.44 C ATOM 1177 C GLY A 82 10.875 -6.223 -3.499 1.00 1.34 C ATOM 1178 O GLY A 82 10.979 -7.437 -3.321 1.00 65.11 O ATOM 0 H GLY A 82 11.754 -3.888 -3.058 1.00 13.13 H new ATOM 0 HA2 GLY A 82 10.654 -5.753 -1.424 1.00 50.44 H new ATOM 0 HA3 GLY A 82 9.291 -5.276 -2.417 1.00 50.44 H new ATOM 1182 N CYS A 83 11.180 -5.630 -4.647 1.00 54.23 N ATOM 1183 CA CYS A 83 11.665 -6.390 -5.794 1.00 0.30 C ATOM 1184 C CYS A 83 12.729 -5.604 -6.555 1.00 33.04 C ATOM 1185 O CYS A 83 12.794 -4.377 -6.490 1.00 64.44 O ATOM 1186 CB CYS A 83 10.506 -6.739 -6.728 1.00 74.12 C ATOM 1187 SG CYS A 83 9.398 -5.353 -7.081 1.00 31.31 S ATOM 0 H CYS A 83 11.100 -4.626 -4.809 1.00 54.23 H new ATOM 0 HA CYS A 83 12.114 -7.312 -5.425 1.00 0.30 H new ATOM 0 HB2 CYS A 83 10.911 -7.115 -7.668 1.00 74.12 H new ATOM 0 HB3 CYS A 83 9.927 -7.549 -6.284 1.00 74.12 H new ATOM 0 HG CYS A 83 10.070 -4.241 -7.048 1.00 31.31 H new ATOM 1192 N PRO A 84 13.583 -6.328 -7.294 1.00 11.41 N ATOM 1193 CA PRO A 84 14.660 -5.720 -8.081 1.00 3.42 C ATOM 1194 C PRO A 84 14.132 -4.939 -9.279 1.00 62.41 C ATOM 1195 O PRO A 84 14.888 -4.247 -9.963 1.00 2.30 O ATOM 1196 CB PRO A 84 15.482 -6.925 -8.548 1.00 4.31 C ATOM 1197 CG PRO A 84 14.519 -8.062 -8.547 1.00 22.54 C ATOM 1198 CD PRO A 84 13.563 -7.795 -7.417 1.00 73.40 C ATOM 0 HA PRO A 84 15.231 -4.997 -7.500 1.00 3.42 H new ATOM 0 HB2 PRO A 84 15.898 -6.759 -9.542 1.00 4.31 H new ATOM 0 HB3 PRO A 84 16.321 -7.116 -7.879 1.00 4.31 H new ATOM 0 HG2 PRO A 84 13.990 -8.126 -9.498 1.00 22.54 H new ATOM 0 HG3 PRO A 84 15.036 -9.011 -8.405 1.00 22.54 H new ATOM 0 HD2 PRO A 84 12.563 -8.166 -7.640 1.00 73.40 H new ATOM 0 HD3 PRO A 84 13.884 -8.280 -6.495 1.00 73.40 H new ATOM 1203 N SER A 85 12.832 -5.053 -9.529 1.00 2.33 N ATOM 1204 CA SER A 85 12.205 -4.360 -10.647 1.00 54.13 C ATOM 1205 C SER A 85 12.568 -2.879 -10.641 1.00 61.31 C ATOM 1206 O SER A 85 13.378 -2.425 -11.450 1.00 12.32 O ATOM 1207 CB SER A 85 10.684 -4.523 -10.588 1.00 24.35 C ATOM 1208 OG SER A 85 10.287 -5.784 -11.097 1.00 14.52 O ATOM 0 H SER A 85 12.192 -5.619 -8.972 1.00 2.33 H new ATOM 0 HA SER A 85 12.576 -4.804 -11.571 1.00 54.13 H new ATOM 0 HB2 SER A 85 10.344 -4.420 -9.558 1.00 24.35 H new ATOM 0 HB3 SER A 85 10.207 -3.729 -11.163 1.00 24.35 H new ATOM 0 HG SER A 85 9.824 -5.661 -11.952 1.00 14.52 H new ATOM 1213 N GLU A 86 11.964 -2.130 -9.723 1.00 71.51 N ATOM 1214 CA GLU A 86 12.224 -0.700 -9.613 1.00 64.12 C ATOM 1215 C GLU A 86 11.983 0.001 -10.946 1.00 64.53 C ATOM 1216 O GLU A 86 12.915 0.412 -11.637 1.00 70.01 O ATOM 1217 CB GLU A 86 13.661 -0.455 -9.147 1.00 61.44 C ATOM 1218 CG GLU A 86 14.018 1.017 -9.023 1.00 2.04 C ATOM 1219 CD GLU A 86 15.271 1.381 -9.794 1.00 23.51 C ATOM 1220 OE1 GLU A 86 15.371 0.994 -10.978 1.00 43.03 O ATOM 1221 OE2 GLU A 86 16.152 2.051 -9.216 1.00 21.34 O ATOM 0 H GLU A 86 11.292 -2.490 -9.046 1.00 71.51 H new ATOM 0 HA GLU A 86 11.535 -0.287 -8.876 1.00 64.12 H new ATOM 0 HB2 GLU A 86 13.808 -0.939 -8.181 1.00 61.44 H new ATOM 0 HB3 GLU A 86 14.347 -0.929 -9.849 1.00 61.44 H new ATOM 0 HG2 GLU A 86 13.185 1.620 -9.385 1.00 2.04 H new ATOM 0 HG3 GLU A 86 14.158 1.265 -7.971 1.00 2.04 H new ATOM 1226 N PRO A 87 10.702 0.142 -11.318 1.00 2.34 N ATOM 1227 CA PRO A 87 10.307 0.793 -12.570 1.00 43.13 C ATOM 1228 C PRO A 87 10.568 2.296 -12.549 1.00 33.23 C ATOM 1229 O PRO A 87 10.262 3.002 -13.510 1.00 2.03 O ATOM 1230 CB PRO A 87 8.805 0.512 -12.658 1.00 63.44 C ATOM 1231 CG PRO A 87 8.374 0.314 -11.246 1.00 13.25 C ATOM 1232 CD PRO A 87 9.539 -0.324 -10.543 1.00 45.22 C ATOM 0 HA PRO A 87 10.875 0.418 -13.421 1.00 43.13 H new ATOM 0 HB2 PRO A 87 8.273 1.343 -13.122 1.00 63.44 H new ATOM 0 HB3 PRO A 87 8.602 -0.373 -13.262 1.00 63.44 H new ATOM 0 HG2 PRO A 87 8.111 1.264 -10.781 1.00 13.25 H new ATOM 0 HG3 PRO A 87 7.490 -0.322 -11.193 1.00 13.25 H new ATOM 0 HD2 PRO A 87 9.599 -0.011 -9.501 1.00 45.22 H new ATOM 0 HD3 PRO A 87 9.464 -1.411 -10.546 1.00 45.22 H new ATOM 1237 N TYR A 88 11.136 2.777 -11.449 1.00 44.24 N ATOM 1238 CA TYR A 88 11.436 4.197 -11.303 1.00 31.25 C ATOM 1239 C TYR A 88 10.334 5.053 -11.921 1.00 3.34 C ATOM 1240 O TYR A 88 10.572 5.801 -12.869 1.00 73.14 O ATOM 1241 CB TYR A 88 12.780 4.525 -11.957 1.00 52.30 C ATOM 1242 CG TYR A 88 12.996 3.827 -13.281 1.00 14.23 C ATOM 1243 CD1 TYR A 88 12.545 4.392 -14.468 1.00 23.32 C ATOM 1244 CD2 TYR A 88 13.650 2.603 -13.344 1.00 72.12 C ATOM 1245 CE1 TYR A 88 12.740 3.757 -15.680 1.00 2.33 C ATOM 1246 CE2 TYR A 88 13.851 1.962 -14.551 1.00 74.32 C ATOM 1247 CZ TYR A 88 13.393 2.542 -15.716 1.00 22.22 C ATOM 1248 OH TYR A 88 13.590 1.907 -16.921 1.00 25.21 O ATOM 0 H TYR A 88 11.398 2.205 -10.646 1.00 44.24 H new ATOM 0 HA TYR A 88 11.492 4.423 -10.238 1.00 31.25 H new ATOM 0 HB2 TYR A 88 12.847 5.602 -12.109 1.00 52.30 H new ATOM 0 HB3 TYR A 88 13.584 4.248 -11.275 1.00 52.30 H new ATOM 0 HD1 TYR A 88 12.034 5.343 -14.443 1.00 23.32 H new ATOM 0 HD2 TYR A 88 14.007 2.145 -12.434 1.00 72.12 H new ATOM 0 HE1 TYR A 88 12.383 4.209 -16.594 1.00 2.33 H new ATOM 0 HE2 TYR A 88 14.364 1.012 -14.583 1.00 74.32 H new ATOM 0 HH TYR A 88 14.066 1.063 -16.772 1.00 25.21 H new ATOM 1257 N PHE A 89 9.128 4.938 -11.374 1.00 32.52 N ATOM 1258 CA PHE A 89 7.989 5.700 -11.870 1.00 43.41 C ATOM 1259 C PHE A 89 8.200 7.196 -11.655 1.00 22.33 C ATOM 1260 O PHE A 89 9.258 7.625 -11.197 1.00 60.21 O ATOM 1261 CB PHE A 89 6.704 5.249 -11.172 1.00 4.03 C ATOM 1262 CG PHE A 89 6.110 4.000 -11.758 1.00 42.22 C ATOM 1263 CD1 PHE A 89 5.613 3.995 -13.052 1.00 1.32 C ATOM 1264 CD2 PHE A 89 6.047 2.833 -11.015 1.00 61.20 C ATOM 1265 CE1 PHE A 89 5.065 2.848 -13.593 1.00 5.03 C ATOM 1266 CE2 PHE A 89 5.501 1.682 -11.552 1.00 51.42 C ATOM 1267 CZ PHE A 89 5.010 1.690 -12.843 1.00 33.13 C ATOM 0 H PHE A 89 8.915 4.325 -10.587 1.00 32.52 H new ATOM 0 HA PHE A 89 7.898 5.514 -12.940 1.00 43.41 H new ATOM 0 HB2 PHE A 89 6.914 5.081 -10.116 1.00 4.03 H new ATOM 0 HB3 PHE A 89 5.969 6.052 -11.227 1.00 4.03 H new ATOM 0 HD1 PHE A 89 5.655 4.898 -13.644 1.00 1.32 H new ATOM 0 HD2 PHE A 89 6.429 2.822 -10.005 1.00 61.20 H new ATOM 0 HE1 PHE A 89 4.680 2.857 -14.602 1.00 5.03 H new ATOM 0 HE2 PHE A 89 5.458 0.778 -10.963 1.00 51.42 H new ATOM 0 HZ PHE A 89 4.584 0.792 -13.265 1.00 33.13 H new ATOM 1276 N GLY A 90 7.183 7.986 -11.990 1.00 23.23 N ATOM 1277 CA GLY A 90 7.277 9.425 -11.827 1.00 30.44 C ATOM 1278 C GLY A 90 6.947 9.871 -10.416 1.00 51.00 C ATOM 1279 O GLY A 90 7.745 10.551 -9.771 1.00 1.43 O ATOM 0 H GLY A 90 6.297 7.655 -12.371 1.00 23.23 H new ATOM 0 HA2 GLY A 90 8.285 9.751 -12.082 1.00 30.44 H new ATOM 0 HA3 GLY A 90 6.598 9.912 -12.527 1.00 30.44 H new ATOM 1283 N SER A 91 5.767 9.490 -9.937 1.00 72.13 N ATOM 1284 CA SER A 91 5.331 9.860 -8.596 1.00 51.01 C ATOM 1285 C SER A 91 4.465 8.763 -7.984 1.00 63.12 C ATOM 1286 O SER A 91 4.124 7.782 -8.647 1.00 63.02 O ATOM 1287 CB SER A 91 4.552 11.177 -8.636 1.00 62.31 C ATOM 1288 OG SER A 91 4.619 11.771 -9.921 1.00 2.01 O ATOM 0 H SER A 91 5.096 8.925 -10.458 1.00 72.13 H new ATOM 0 HA SER A 91 6.217 9.988 -7.975 1.00 51.01 H new ATOM 0 HB2 SER A 91 3.511 10.995 -8.370 1.00 62.31 H new ATOM 0 HB3 SER A 91 4.956 11.865 -7.893 1.00 62.31 H new ATOM 0 HG SER A 91 4.112 12.610 -9.920 1.00 2.01 H new ATOM 1293 N LEU A 92 4.113 8.935 -6.714 1.00 65.54 N ATOM 1294 CA LEU A 92 3.288 7.960 -6.011 1.00 1.24 C ATOM 1295 C LEU A 92 2.003 7.677 -6.782 1.00 34.44 C ATOM 1296 O LEU A 92 1.530 6.541 -6.825 1.00 2.03 O ATOM 1297 CB LEU A 92 2.952 8.466 -4.607 1.00 54.42 C ATOM 1298 CG LEU A 92 3.985 8.165 -3.520 1.00 74.24 C ATOM 1299 CD1 LEU A 92 3.552 8.767 -2.192 1.00 62.03 C ATOM 1300 CD2 LEU A 92 4.194 6.665 -3.384 1.00 3.05 C ATOM 0 H LEU A 92 4.386 9.740 -6.151 1.00 65.54 H new ATOM 0 HA LEU A 92 3.854 7.032 -5.931 1.00 1.24 H new ATOM 0 HB2 LEU A 92 2.810 9.546 -4.656 1.00 54.42 H new ATOM 0 HB3 LEU A 92 1.999 8.032 -4.305 1.00 54.42 H new ATOM 0 HG LEU A 92 4.933 8.619 -3.810 1.00 74.24 H new ATOM 0 HD11 LEU A 92 4.299 8.543 -1.430 1.00 62.03 H new ATOM 0 HD12 LEU A 92 3.454 9.847 -2.297 1.00 62.03 H new ATOM 0 HD13 LEU A 92 2.593 8.343 -1.896 1.00 62.03 H new ATOM 0 HD21 LEU A 92 4.932 6.470 -2.606 1.00 3.05 H new ATOM 0 HD22 LEU A 92 3.251 6.189 -3.117 1.00 3.05 H new ATOM 0 HD23 LEU A 92 4.549 6.260 -4.331 1.00 3.05 H new ATOM 1311 N SER A 93 1.444 8.716 -7.394 1.00 72.30 N ATOM 1312 CA SER A 93 0.213 8.579 -8.164 1.00 3.43 C ATOM 1313 C SER A 93 0.460 7.793 -9.447 1.00 14.15 C ATOM 1314 O SER A 93 -0.402 7.039 -9.901 1.00 60.23 O ATOM 1315 CB SER A 93 -0.360 9.958 -8.499 1.00 23.12 C ATOM 1316 OG SER A 93 -1.386 10.318 -7.591 1.00 51.21 O ATOM 0 H SER A 93 1.824 9.662 -7.372 1.00 72.30 H new ATOM 0 HA SER A 93 -0.508 8.032 -7.556 1.00 3.43 H new ATOM 0 HB2 SER A 93 0.435 10.703 -8.468 1.00 23.12 H new ATOM 0 HB3 SER A 93 -0.754 9.954 -9.515 1.00 23.12 H new ATOM 0 HG SER A 93 -1.734 11.203 -7.825 1.00 51.21 H new ATOM 1321 N ALA A 94 1.641 7.973 -10.027 1.00 43.44 N ATOM 1322 CA ALA A 94 2.003 7.279 -11.257 1.00 51.52 C ATOM 1323 C ALA A 94 2.131 5.778 -11.023 1.00 54.52 C ATOM 1324 O ALA A 94 1.625 4.972 -11.806 1.00 54.45 O ATOM 1325 CB ALA A 94 3.301 7.841 -11.817 1.00 24.33 C ATOM 0 H ALA A 94 2.365 8.594 -9.665 1.00 43.44 H new ATOM 0 HA ALA A 94 1.207 7.440 -11.984 1.00 51.52 H new ATOM 0 HB1 ALA A 94 3.560 7.314 -12.735 1.00 24.33 H new ATOM 0 HB2 ALA A 94 3.176 8.902 -12.031 1.00 24.33 H new ATOM 0 HB3 ALA A 94 4.099 7.710 -11.086 1.00 24.33 H new ATOM 1331 N LEU A 95 2.809 5.408 -9.943 1.00 73.41 N ATOM 1332 CA LEU A 95 3.003 4.002 -9.607 1.00 21.14 C ATOM 1333 C LEU A 95 1.705 3.377 -9.104 1.00 3.21 C ATOM 1334 O LEU A 95 1.460 2.187 -9.300 1.00 3.13 O ATOM 1335 CB LEU A 95 4.097 3.857 -8.546 1.00 54.14 C ATOM 1336 CG LEU A 95 3.929 4.712 -7.289 1.00 23.24 C ATOM 1337 CD1 LEU A 95 3.043 4.002 -6.277 1.00 44.45 C ATOM 1338 CD2 LEU A 95 5.286 5.034 -6.680 1.00 43.30 C ATOM 0 H LEU A 95 3.234 6.062 -9.285 1.00 73.41 H new ATOM 0 HA LEU A 95 3.310 3.477 -10.512 1.00 21.14 H new ATOM 0 HB2 LEU A 95 4.148 2.810 -8.245 1.00 54.14 H new ATOM 0 HB3 LEU A 95 5.055 4.104 -9.004 1.00 54.14 H new ATOM 0 HG LEU A 95 3.447 5.649 -7.569 1.00 23.24 H new ATOM 0 HD11 LEU A 95 2.934 4.624 -5.389 1.00 44.45 H new ATOM 0 HD12 LEU A 95 2.062 3.821 -6.716 1.00 44.45 H new ATOM 0 HD13 LEU A 95 3.497 3.051 -6.000 1.00 44.45 H new ATOM 0 HD21 LEU A 95 5.149 5.643 -5.786 1.00 43.30 H new ATOM 0 HD22 LEU A 95 5.794 4.107 -6.413 1.00 43.30 H new ATOM 0 HD23 LEU A 95 5.889 5.583 -7.404 1.00 43.30 H new ATOM 1349 N VAL A 96 0.877 4.190 -8.455 1.00 40.23 N ATOM 1350 CA VAL A 96 -0.398 3.718 -7.927 1.00 44.23 C ATOM 1351 C VAL A 96 -1.377 3.403 -9.053 1.00 23.34 C ATOM 1352 O VAL A 96 -2.084 2.397 -9.009 1.00 55.04 O ATOM 1353 CB VAL A 96 -1.034 4.759 -6.985 1.00 32.42 C ATOM 1354 CG1 VAL A 96 -2.543 4.575 -6.928 1.00 4.12 C ATOM 1355 CG2 VAL A 96 -0.423 4.662 -5.596 1.00 42.31 C ATOM 0 H VAL A 96 1.066 5.177 -8.282 1.00 40.23 H new ATOM 0 HA VAL A 96 -0.191 2.807 -7.365 1.00 44.23 H new ATOM 0 HB VAL A 96 -0.829 5.755 -7.378 1.00 32.42 H new ATOM 0 HG11 VAL A 96 -2.975 5.318 -6.258 1.00 4.12 H new ATOM 0 HG12 VAL A 96 -2.963 4.699 -7.926 1.00 4.12 H new ATOM 0 HG13 VAL A 96 -2.774 3.576 -6.558 1.00 4.12 H new ATOM 0 HG21 VAL A 96 -0.883 5.404 -4.943 1.00 42.31 H new ATOM 0 HG22 VAL A 96 -0.596 3.665 -5.191 1.00 42.31 H new ATOM 0 HG23 VAL A 96 0.649 4.847 -5.656 1.00 42.31 H new ATOM 1365 N SER A 97 -1.410 4.269 -10.060 1.00 51.14 N ATOM 1366 CA SER A 97 -2.305 4.084 -11.197 1.00 52.03 C ATOM 1367 C SER A 97 -1.828 2.938 -12.083 1.00 31.31 C ATOM 1368 O SER A 97 -2.630 2.149 -12.579 1.00 34.42 O ATOM 1369 CB SER A 97 -2.396 5.373 -12.016 1.00 44.04 C ATOM 1370 OG SER A 97 -3.455 6.196 -11.557 1.00 64.04 O ATOM 0 H SER A 97 -0.828 5.105 -10.112 1.00 51.14 H new ATOM 0 HA SER A 97 -3.294 3.835 -10.813 1.00 52.03 H new ATOM 0 HB2 SER A 97 -1.454 5.917 -11.950 1.00 44.04 H new ATOM 0 HB3 SER A 97 -2.550 5.129 -13.067 1.00 44.04 H new ATOM 0 HG SER A 97 -3.491 7.014 -12.096 1.00 64.04 H new ATOM 1375 N GLN A 98 -0.515 2.855 -12.277 1.00 1.35 N ATOM 1376 CA GLN A 98 0.069 1.806 -13.104 1.00 24.04 C ATOM 1377 C GLN A 98 0.013 0.458 -12.392 1.00 30.31 C ATOM 1378 O GLN A 98 -0.082 -0.590 -13.033 1.00 40.12 O ATOM 1379 CB GLN A 98 1.518 2.150 -13.453 1.00 42.34 C ATOM 1380 CG GLN A 98 1.678 2.778 -14.829 1.00 24.24 C ATOM 1381 CD GLN A 98 1.151 1.891 -15.939 1.00 71.24 C ATOM 1382 OE1 GLN A 98 1.544 0.730 -16.062 1.00 52.51 O ATOM 1383 NE2 GLN A 98 0.256 2.434 -16.757 1.00 3.24 N ATOM 0 H GLN A 98 0.163 3.501 -11.873 1.00 1.35 H new ATOM 0 HA GLN A 98 -0.513 1.737 -14.023 1.00 24.04 H new ATOM 0 HB2 GLN A 98 1.912 2.835 -12.702 1.00 42.34 H new ATOM 0 HB3 GLN A 98 2.120 1.243 -13.404 1.00 42.34 H new ATOM 0 HG2 GLN A 98 1.153 3.733 -14.852 1.00 24.24 H new ATOM 0 HG3 GLN A 98 2.732 2.990 -15.007 1.00 24.24 H new ATOM 0 HE21 GLN A 98 -0.042 3.400 -16.619 1.00 3.24 H new ATOM 0 HE22 GLN A 98 -0.134 1.885 -17.523 1.00 3.24 H new ATOM 1390 N HIS A 99 0.073 0.491 -11.065 1.00 62.30 N ATOM 1391 CA HIS A 99 0.030 -0.729 -10.267 1.00 12.33 C ATOM 1392 C HIS A 99 -1.301 -1.453 -10.453 1.00 41.54 C ATOM 1393 O HIS A 99 -1.432 -2.629 -10.118 1.00 25.31 O ATOM 1394 CB HIS A 99 0.244 -0.404 -8.788 1.00 23.24 C ATOM 1395 CG HIS A 99 1.668 -0.542 -8.345 1.00 34.43 C ATOM 1396 ND1 HIS A 99 2.733 -0.541 -9.222 1.00 41.24 N ATOM 1397 CD2 HIS A 99 2.201 -0.685 -7.110 1.00 5.44 C ATOM 1398 CE1 HIS A 99 3.858 -0.678 -8.545 1.00 42.53 C ATOM 1399 NE2 HIS A 99 3.564 -0.767 -7.260 1.00 13.01 N ATOM 0 H HIS A 99 0.152 1.349 -10.519 1.00 62.30 H new ATOM 0 HA HIS A 99 0.832 -1.385 -10.607 1.00 12.33 H new ATOM 0 HB2 HIS A 99 -0.090 0.616 -8.596 1.00 23.24 H new ATOM 0 HB3 HIS A 99 -0.381 -1.063 -8.185 1.00 23.24 H new ATOM 0 HD1 HIS A 99 2.662 -0.449 -10.235 1.00 41.24 H new ATOM 0 HD2 HIS A 99 1.656 -0.727 -6.179 1.00 5.44 H new ATOM 0 HE1 HIS A 99 4.850 -0.712 -8.970 1.00 42.53 H new ATOM 1406 N SER A 100 -2.287 -0.739 -10.989 1.00 5.21 N ATOM 1407 CA SER A 100 -3.609 -1.311 -11.215 1.00 4.34 C ATOM 1408 C SER A 100 -3.716 -1.893 -12.621 1.00 2.54 C ATOM 1409 O SER A 100 -4.782 -2.349 -13.036 1.00 23.54 O ATOM 1410 CB SER A 100 -4.690 -0.249 -11.006 1.00 61.15 C ATOM 1411 OG SER A 100 -5.981 -0.779 -11.255 1.00 75.44 O ATOM 0 H SER A 100 -2.195 0.236 -11.274 1.00 5.21 H new ATOM 0 HA SER A 100 -3.757 -2.116 -10.495 1.00 4.34 H new ATOM 0 HB2 SER A 100 -4.640 0.130 -9.985 1.00 61.15 H new ATOM 0 HB3 SER A 100 -4.507 0.597 -11.669 1.00 61.15 H new ATOM 0 HG SER A 100 -5.948 -1.365 -12.040 1.00 75.44 H new ATOM 1416 N ILE A 101 -2.604 -1.873 -13.349 1.00 1.41 N ATOM 1417 CA ILE A 101 -2.571 -2.399 -14.707 1.00 20.11 C ATOM 1418 C ILE A 101 -1.407 -3.367 -14.894 1.00 75.14 C ATOM 1419 O ILE A 101 -1.536 -4.383 -15.576 1.00 21.14 O ATOM 1420 CB ILE A 101 -2.456 -1.268 -15.746 1.00 14.54 C ATOM 1421 CG1 ILE A 101 -3.566 -0.236 -15.533 1.00 63.33 C ATOM 1422 CG2 ILE A 101 -2.517 -1.836 -17.156 1.00 63.23 C ATOM 1423 CD1 ILE A 101 -3.448 0.972 -16.436 1.00 13.42 C ATOM 0 H ILE A 101 -1.714 -1.498 -13.020 1.00 1.41 H new ATOM 0 HA ILE A 101 -3.510 -2.930 -14.863 1.00 20.11 H new ATOM 0 HB ILE A 101 -1.494 -0.772 -15.617 1.00 14.54 H new ATOM 0 HG12 ILE A 101 -4.532 -0.713 -15.701 1.00 63.33 H new ATOM 0 HG13 ILE A 101 -3.550 0.094 -14.494 1.00 63.33 H new ATOM 0 HG21 ILE A 101 -2.434 -1.025 -17.879 1.00 63.23 H new ATOM 0 HG22 ILE A 101 -1.695 -2.537 -17.302 1.00 63.23 H new ATOM 0 HG23 ILE A 101 -3.465 -2.354 -17.299 1.00 63.23 H new ATOM 0 HD11 ILE A 101 -4.267 1.661 -16.231 1.00 13.42 H new ATOM 0 HD12 ILE A 101 -2.498 1.473 -16.252 1.00 13.42 H new ATOM 0 HD13 ILE A 101 -3.494 0.654 -17.477 1.00 13.42 H new ATOM 1434 N SER A 102 -0.272 -3.043 -14.283 1.00 10.31 N ATOM 1435 CA SER A 102 0.916 -3.882 -14.384 1.00 2.33 C ATOM 1436 C SER A 102 1.571 -4.063 -13.018 1.00 63.43 C ATOM 1437 O SER A 102 2.607 -3.470 -12.714 1.00 60.34 O ATOM 1438 CB SER A 102 1.917 -3.270 -15.366 1.00 3.22 C ATOM 1439 OG SER A 102 3.070 -4.084 -15.492 1.00 20.04 O ATOM 0 H SER A 102 -0.150 -2.206 -13.713 1.00 10.31 H new ATOM 0 HA SER A 102 0.609 -4.861 -14.753 1.00 2.33 H new ATOM 0 HB2 SER A 102 1.446 -3.148 -16.341 1.00 3.22 H new ATOM 0 HB3 SER A 102 2.205 -2.276 -15.024 1.00 3.22 H new ATOM 0 HG SER A 102 3.694 -3.672 -16.126 1.00 20.04 H new ATOM 1444 N PRO A 103 0.953 -4.900 -12.172 1.00 74.41 N ATOM 1445 CA PRO A 103 1.458 -5.180 -10.824 1.00 61.12 C ATOM 1446 C PRO A 103 2.747 -5.994 -10.845 1.00 75.13 C ATOM 1447 O PRO A 103 2.840 -7.008 -11.538 1.00 43.31 O ATOM 1448 CB PRO A 103 0.326 -5.986 -10.182 1.00 42.11 C ATOM 1449 CG PRO A 103 -0.387 -6.617 -11.328 1.00 43.55 C ATOM 1450 CD PRO A 103 -0.285 -5.641 -12.467 1.00 40.42 C ATOM 0 HA PRO A 103 1.708 -4.267 -10.284 1.00 61.12 H new ATOM 0 HB2 PRO A 103 0.715 -6.738 -9.496 1.00 42.11 H new ATOM 0 HB3 PRO A 103 -0.340 -5.344 -9.606 1.00 42.11 H new ATOM 0 HG2 PRO A 103 0.066 -7.573 -11.591 1.00 43.55 H new ATOM 0 HG3 PRO A 103 -1.429 -6.817 -11.077 1.00 43.55 H new ATOM 0 HD2 PRO A 103 -0.229 -6.151 -13.429 1.00 40.42 H new ATOM 0 HD3 PRO A 103 -1.150 -4.979 -12.507 1.00 40.42 H new ATOM 1455 N ILE A 104 3.737 -5.545 -10.082 1.00 73.42 N ATOM 1456 CA ILE A 104 5.020 -6.234 -10.013 1.00 22.35 C ATOM 1457 C ILE A 104 5.277 -6.778 -8.611 1.00 53.53 C ATOM 1458 O ILE A 104 5.205 -7.984 -8.379 1.00 32.15 O ATOM 1459 CB ILE A 104 6.181 -5.304 -10.410 1.00 63.41 C ATOM 1460 CG1 ILE A 104 5.973 -4.771 -11.830 1.00 33.55 C ATOM 1461 CG2 ILE A 104 7.508 -6.039 -10.304 1.00 23.31 C ATOM 1462 CD1 ILE A 104 7.068 -3.835 -12.291 1.00 43.30 C ATOM 0 H ILE A 104 3.676 -4.708 -9.503 1.00 73.42 H new ATOM 0 HA ILE A 104 4.971 -7.063 -10.719 1.00 22.35 H new ATOM 0 HB ILE A 104 6.201 -4.458 -9.723 1.00 63.41 H new ATOM 0 HG12 ILE A 104 5.912 -5.613 -12.520 1.00 33.55 H new ATOM 0 HG13 ILE A 104 5.017 -4.250 -11.877 1.00 33.55 H new ATOM 0 HG21 ILE A 104 8.319 -5.368 -10.588 1.00 23.31 H new ATOM 0 HG22 ILE A 104 7.657 -6.375 -9.278 1.00 23.31 H new ATOM 0 HG23 ILE A 104 7.500 -6.902 -10.970 1.00 23.31 H new ATOM 0 HD11 ILE A 104 6.855 -3.497 -13.305 1.00 43.30 H new ATOM 0 HD12 ILE A 104 7.116 -2.974 -11.624 1.00 43.30 H new ATOM 0 HD13 ILE A 104 8.024 -4.358 -12.277 1.00 43.30 H new ATOM 1473 N SER A 105 5.574 -5.879 -7.679 1.00 65.24 N ATOM 1474 CA SER A 105 5.844 -6.267 -6.300 1.00 12.53 C ATOM 1475 C SER A 105 4.594 -6.846 -5.644 1.00 41.34 C ATOM 1476 O SER A 105 4.680 -7.624 -4.694 1.00 31.04 O ATOM 1477 CB SER A 105 6.345 -5.065 -5.497 1.00 35.03 C ATOM 1478 OG SER A 105 5.303 -4.503 -4.717 1.00 63.41 O ATOM 0 H SER A 105 5.634 -4.876 -7.854 1.00 65.24 H new ATOM 0 HA SER A 105 6.617 -7.035 -6.310 1.00 12.53 H new ATOM 0 HB2 SER A 105 7.164 -5.373 -4.847 1.00 35.03 H new ATOM 0 HB3 SER A 105 6.743 -4.311 -6.176 1.00 35.03 H new ATOM 0 HG SER A 105 5.649 -3.738 -4.212 1.00 63.41 H new ATOM 1483 N LEU A 106 3.431 -6.458 -6.158 1.00 32.31 N ATOM 1484 CA LEU A 106 2.161 -6.937 -5.624 1.00 43.41 C ATOM 1485 C LEU A 106 1.686 -8.176 -6.376 1.00 30.52 C ATOM 1486 O LEU A 106 2.054 -8.412 -7.527 1.00 3.13 O ATOM 1487 CB LEU A 106 1.102 -5.837 -5.711 1.00 42.32 C ATOM 1488 CG LEU A 106 1.622 -4.400 -5.667 1.00 74.34 C ATOM 1489 CD1 LEU A 106 1.816 -3.860 -7.076 1.00 3.03 C ATOM 1490 CD2 LEU A 106 0.668 -3.511 -4.880 1.00 61.42 C ATOM 0 H LEU A 106 3.342 -5.813 -6.943 1.00 32.31 H new ATOM 0 HA LEU A 106 2.313 -7.206 -4.579 1.00 43.41 H new ATOM 0 HB2 LEU A 106 0.542 -5.971 -6.637 1.00 42.32 H new ATOM 0 HB3 LEU A 106 0.398 -5.973 -4.890 1.00 42.32 H new ATOM 0 HG LEU A 106 2.588 -4.398 -5.162 1.00 74.34 H new ATOM 0 HD11 LEU A 106 2.186 -2.836 -7.025 1.00 3.03 H new ATOM 0 HD12 LEU A 106 2.537 -4.481 -7.608 1.00 3.03 H new ATOM 0 HD13 LEU A 106 0.864 -3.875 -7.606 1.00 3.03 H new ATOM 0 HD21 LEU A 106 1.054 -2.492 -4.859 1.00 61.42 H new ATOM 0 HD22 LEU A 106 -0.312 -3.518 -5.356 1.00 61.42 H new ATOM 0 HD23 LEU A 106 0.579 -3.886 -3.860 1.00 61.42 H new ATOM 1501 N PRO A 107 0.848 -8.987 -5.713 1.00 44.44 N ATOM 1502 CA PRO A 107 0.303 -10.214 -6.300 1.00 44.34 C ATOM 1503 C PRO A 107 -0.699 -9.928 -7.414 1.00 41.53 C ATOM 1504 O PRO A 107 -0.667 -10.564 -8.468 1.00 61.35 O ATOM 1505 CB PRO A 107 -0.391 -10.895 -5.118 1.00 0.12 C ATOM 1506 CG PRO A 107 -0.730 -9.784 -4.185 1.00 64.54 C ATOM 1507 CD PRO A 107 0.368 -8.767 -4.338 1.00 63.12 C ATOM 0 HA PRO A 107 1.078 -10.823 -6.765 1.00 44.34 H new ATOM 0 HB2 PRO A 107 -1.285 -11.429 -5.439 1.00 0.12 H new ATOM 0 HB3 PRO A 107 0.263 -11.625 -4.642 1.00 0.12 H new ATOM 0 HG2 PRO A 107 -1.700 -9.351 -4.429 1.00 64.54 H new ATOM 0 HG3 PRO A 107 -0.790 -10.142 -3.157 1.00 64.54 H new ATOM 0 HD2 PRO A 107 -0.003 -7.751 -4.200 1.00 63.12 H new ATOM 0 HD3 PRO A 107 1.161 -8.919 -3.606 1.00 63.12 H new ATOM 1512 N CYS A 108 -1.586 -8.970 -7.173 1.00 44.42 N ATOM 1513 CA CYS A 108 -2.598 -8.599 -8.157 1.00 4.15 C ATOM 1514 C CYS A 108 -2.689 -7.083 -8.299 1.00 31.04 C ATOM 1515 O CYS A 108 -2.278 -6.340 -7.406 1.00 74.45 O ATOM 1516 CB CYS A 108 -3.959 -9.169 -7.756 1.00 54.40 C ATOM 1517 SG CYS A 108 -4.914 -9.841 -9.137 1.00 42.14 S ATOM 0 H CYS A 108 -1.626 -8.436 -6.305 1.00 44.42 H new ATOM 0 HA CYS A 108 -2.305 -9.018 -9.120 1.00 4.15 H new ATOM 0 HB2 CYS A 108 -3.808 -9.955 -7.016 1.00 54.40 H new ATOM 0 HB3 CYS A 108 -4.542 -8.384 -7.273 1.00 54.40 H new ATOM 0 HG CYS A 108 -6.048 -10.301 -8.697 1.00 42.14 H new ATOM 1522 N CYS A 109 -3.228 -6.633 -9.426 1.00 44.23 N ATOM 1523 CA CYS A 109 -3.370 -5.204 -9.687 1.00 75.14 C ATOM 1524 C CYS A 109 -4.073 -4.507 -8.527 1.00 3.01 C ATOM 1525 O CYS A 109 -5.025 -5.038 -7.955 1.00 55.34 O ATOM 1526 CB CYS A 109 -4.151 -4.976 -10.982 1.00 34.22 C ATOM 1527 SG CYS A 109 -5.887 -5.473 -10.895 1.00 50.42 S ATOM 0 H CYS A 109 -3.574 -7.235 -10.173 1.00 44.23 H new ATOM 0 HA CYS A 109 -2.372 -4.778 -9.793 1.00 75.14 H new ATOM 0 HB2 CYS A 109 -4.100 -3.919 -11.243 1.00 34.22 H new ATOM 0 HB3 CYS A 109 -3.666 -5.527 -11.788 1.00 34.22 H new ATOM 0 HG CYS A 109 -6.255 -5.548 -9.650 1.00 50.42 H new ATOM 1532 N LEU A 110 -3.595 -3.315 -8.183 1.00 21.43 N ATOM 1533 CA LEU A 110 -4.176 -2.546 -7.089 1.00 42.42 C ATOM 1534 C LEU A 110 -5.517 -1.944 -7.498 1.00 63.10 C ATOM 1535 O LEU A 110 -5.723 -1.594 -8.661 1.00 65.31 O ATOM 1536 CB LEU A 110 -3.217 -1.434 -6.655 1.00 34.14 C ATOM 1537 CG LEU A 110 -3.743 -0.473 -5.590 1.00 63.04 C ATOM 1538 CD1 LEU A 110 -2.604 0.031 -4.717 1.00 1.11 C ATOM 1539 CD2 LEU A 110 -4.475 0.693 -6.239 1.00 52.41 C ATOM 0 H LEU A 110 -2.807 -2.861 -8.646 1.00 21.43 H new ATOM 0 HA LEU A 110 -4.342 -3.223 -6.251 1.00 42.42 H new ATOM 0 HB2 LEU A 110 -2.303 -1.895 -6.280 1.00 34.14 H new ATOM 0 HB3 LEU A 110 -2.943 -0.854 -7.536 1.00 34.14 H new ATOM 0 HG LEU A 110 -4.448 -1.012 -4.957 1.00 63.04 H new ATOM 0 HD11 LEU A 110 -2.997 0.714 -3.964 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -2.122 -0.813 -4.224 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -1.875 0.554 -5.336 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -4.843 1.367 -5.466 1.00 52.41 H new ATOM 0 HD22 LEU A 110 -3.791 1.232 -6.895 1.00 52.41 H new ATOM 0 HD23 LEU A 110 -5.316 0.316 -6.822 1.00 52.41 H new ATOM 1550 N ARG A 111 -6.425 -1.826 -6.536 1.00 1.32 N ATOM 1551 CA ARG A 111 -7.746 -1.265 -6.796 1.00 31.45 C ATOM 1552 C ARG A 111 -7.822 0.186 -6.332 1.00 42.51 C ATOM 1553 O ARG A 111 -7.608 0.484 -5.157 1.00 42.51 O ATOM 1554 CB ARG A 111 -8.823 -2.094 -6.092 1.00 25.24 C ATOM 1555 CG ARG A 111 -9.776 -2.793 -7.047 1.00 71.51 C ATOM 1556 CD ARG A 111 -9.058 -3.842 -7.882 1.00 64.33 C ATOM 1557 NE ARG A 111 -9.979 -4.839 -8.418 1.00 32.23 N ATOM 1558 CZ ARG A 111 -10.754 -4.631 -9.476 1.00 33.54 C ATOM 1559 NH1 ARG A 111 -10.718 -3.467 -10.110 1.00 61.10 N ATOM 1560 NH2 ARG A 111 -11.567 -5.589 -9.904 1.00 11.12 N ATOM 0 H ARG A 111 -6.271 -2.111 -5.569 1.00 1.32 H new ATOM 0 HA ARG A 111 -7.920 -1.294 -7.872 1.00 31.45 H new ATOM 0 HB2 ARG A 111 -8.340 -2.841 -5.462 1.00 25.24 H new ATOM 0 HB3 ARG A 111 -9.396 -1.443 -5.432 1.00 25.24 H new ATOM 0 HG2 ARG A 111 -10.579 -3.264 -6.481 1.00 71.51 H new ATOM 0 HG3 ARG A 111 -10.239 -2.057 -7.705 1.00 71.51 H new ATOM 0 HD2 ARG A 111 -8.533 -3.354 -8.704 1.00 64.33 H new ATOM 0 HD3 ARG A 111 -8.303 -4.337 -7.271 1.00 64.33 H new ATOM 0 HE ARG A 111 -10.030 -5.746 -7.954 1.00 32.23 H new ATOM 0 HH11 ARG A 111 -10.094 -2.729 -9.785 1.00 61.10 H new ATOM 0 HH12 ARG A 111 -11.314 -3.310 -10.922 1.00 61.10 H new ATOM 0 HH21 ARG A 111 -11.597 -6.486 -9.420 1.00 11.12 H new ATOM 0 HH22 ARG A 111 -12.162 -5.428 -10.717 1.00 11.12 H new ATOM 1571 N ILE A 112 -8.127 1.083 -7.263 1.00 43.45 N ATOM 1572 CA ILE A 112 -8.231 2.503 -6.950 1.00 2.22 C ATOM 1573 C ILE A 112 -9.619 2.850 -6.422 1.00 15.14 C ATOM 1574 O ILE A 112 -10.640 2.453 -6.984 1.00 12.22 O ATOM 1575 CB ILE A 112 -7.930 3.376 -8.182 1.00 15.33 C ATOM 1576 CG1 ILE A 112 -6.548 3.041 -8.746 1.00 54.13 C ATOM 1577 CG2 ILE A 112 -8.018 4.851 -7.821 1.00 31.22 C ATOM 1578 CD1 ILE A 112 -5.414 3.370 -7.801 1.00 0.10 C ATOM 0 H ILE A 112 -8.306 0.852 -8.240 1.00 43.45 H new ATOM 0 HA ILE A 112 -7.489 2.710 -6.179 1.00 2.22 H new ATOM 0 HB ILE A 112 -8.675 3.165 -8.949 1.00 15.33 H new ATOM 0 HG12 ILE A 112 -6.511 1.979 -8.989 1.00 54.13 H new ATOM 0 HG13 ILE A 112 -6.403 3.586 -9.678 1.00 54.13 H new ATOM 0 HG21 ILE A 112 -7.803 5.455 -8.703 1.00 31.22 H new ATOM 0 HG22 ILE A 112 -9.022 5.078 -7.462 1.00 31.22 H new ATOM 0 HG23 ILE A 112 -7.293 5.078 -7.040 1.00 31.22 H new ATOM 0 HD11 ILE A 112 -4.464 3.106 -8.267 1.00 0.10 H new ATOM 0 HD12 ILE A 112 -5.425 4.437 -7.577 1.00 0.10 H new ATOM 0 HD13 ILE A 112 -5.535 2.804 -6.877 1.00 0.10 H new ATOM 1589 N PRO A 113 -9.661 3.608 -5.317 1.00 2.31 N ATOM 1590 CA PRO A 113 -10.918 4.026 -4.690 1.00 43.22 C ATOM 1591 C PRO A 113 -11.676 5.045 -5.536 1.00 10.13 C ATOM 1592 O PRO A 113 -11.312 5.308 -6.682 1.00 4.42 O ATOM 1593 CB PRO A 113 -10.464 4.659 -3.372 1.00 12.31 C ATOM 1594 CG PRO A 113 -9.068 5.110 -3.630 1.00 1.25 C ATOM 1595 CD PRO A 113 -8.483 4.117 -4.594 1.00 73.11 C ATOM 0 HA PRO A 113 -11.607 3.191 -4.563 1.00 43.22 H new ATOM 0 HB2 PRO A 113 -11.105 5.495 -3.093 1.00 12.31 H new ATOM 0 HB3 PRO A 113 -10.503 3.940 -2.553 1.00 12.31 H new ATOM 0 HG2 PRO A 113 -9.054 6.116 -4.050 1.00 1.25 H new ATOM 0 HG3 PRO A 113 -8.491 5.143 -2.706 1.00 1.25 H new ATOM 0 HD2 PRO A 113 -7.769 4.586 -5.270 1.00 73.11 H new ATOM 0 HD3 PRO A 113 -7.953 3.318 -4.076 1.00 73.11 H new ATOM 1600 N SER A 114 -12.732 5.614 -4.963 1.00 23.21 N ATOM 1601 CA SER A 114 -13.544 6.600 -5.665 1.00 70.25 C ATOM 1602 C SER A 114 -12.708 7.818 -6.049 1.00 2.25 C ATOM 1603 O SER A 114 -13.071 8.577 -6.948 1.00 1.35 O ATOM 1604 CB SER A 114 -14.725 7.033 -4.795 1.00 74.23 C ATOM 1605 OG SER A 114 -15.791 7.525 -5.590 1.00 22.22 O ATOM 0 H SER A 114 -13.045 5.409 -4.014 1.00 23.21 H new ATOM 0 HA SER A 114 -13.924 6.138 -6.577 1.00 70.25 H new ATOM 0 HB2 SER A 114 -15.071 6.188 -4.200 1.00 74.23 H new ATOM 0 HB3 SER A 114 -14.402 7.805 -4.096 1.00 74.23 H new ATOM 0 HG SER A 114 -16.534 7.794 -5.011 1.00 22.22 H new ATOM 1610 N LYS A 115 -11.586 7.998 -5.361 1.00 24.53 N ATOM 1611 CA LYS A 115 -10.695 9.121 -5.627 1.00 35.20 C ATOM 1612 C LYS A 115 -9.350 8.924 -4.937 1.00 63.12 C ATOM 1613 O LYS A 115 -8.502 9.817 -4.943 1.00 0.51 O ATOM 1614 CB LYS A 115 -11.335 10.428 -5.157 1.00 53.24 C ATOM 1615 CG LYS A 115 -11.260 11.546 -6.183 1.00 64.31 C ATOM 1616 CD LYS A 115 -12.004 12.785 -5.715 1.00 5.32 C ATOM 1617 CE LYS A 115 -12.711 13.481 -6.868 1.00 50.12 C ATOM 1618 NZ LYS A 115 -11.758 14.237 -7.727 1.00 44.41 N ATOM 0 H LYS A 115 -11.272 7.379 -4.614 1.00 24.53 H new ATOM 0 HA LYS A 115 -10.527 9.172 -6.703 1.00 35.20 H new ATOM 0 HB2 LYS A 115 -12.380 10.243 -4.910 1.00 53.24 H new ATOM 0 HB3 LYS A 115 -10.844 10.754 -4.240 1.00 53.24 H new ATOM 0 HG2 LYS A 115 -10.216 11.797 -6.372 1.00 64.31 H new ATOM 0 HG3 LYS A 115 -11.682 11.203 -7.128 1.00 64.31 H new ATOM 0 HD2 LYS A 115 -12.734 12.507 -4.955 1.00 5.32 H new ATOM 0 HD3 LYS A 115 -11.303 13.476 -5.247 1.00 5.32 H new ATOM 0 HE2 LYS A 115 -13.236 12.741 -7.472 1.00 50.12 H new ATOM 0 HE3 LYS A 115 -13.464 14.163 -6.474 1.00 50.12 H new ATOM 0 HZ1 LYS A 115 -12.278 14.697 -8.501 1.00 44.41 H new ATOM 0 HZ2 LYS A 115 -11.275 14.960 -7.157 1.00 44.41 H new ATOM 0 HZ3 LYS A 115 -11.054 13.582 -8.124 1.00 44.41 H new TER 1628 LYS A 115