USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 848 hydrogens (43 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 HIS :FLIP no HD1:sc= -1.49 F(o=-2!,f=-1.5) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 156:sc= 0.127 (180deg=0.031) USER MOD Single : A 64 LYS NZ :NH3+ -144:sc= 0.963 (180deg=-1.12) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 167:sc= -0.0144 (180deg=-0.113) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -5.02! C(o=-5!,f=-8.5!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.857 F(o=-2.1!,f=-0.86) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 70:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -1.72 K(o=-1.7,f=-3.1) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0452) USER MOD Single : A 118 TYR OH : rot 165:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= 0.00666 K(o=0.0067,f=-0.86) USER MOD Single : A 137 SER OG : rot -14:sc= 0.209 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 72:sc= 0.893 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 145 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 153 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.3) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 GLN : amide:sc= -0.0796 K(o=-0.08,f=-1.2) USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 0.321 -0.426 -0.578 1.00 4.32 N ATOM 2 CA TRP A 60 1.213 -0.301 -1.725 1.00 52.25 C ATOM 3 C TRP A 60 1.689 -1.670 -2.197 1.00 32.54 C ATOM 4 O TRP A 60 2.640 -1.775 -2.972 1.00 33.23 O ATOM 5 CB TRP A 60 2.415 0.576 -1.371 1.00 14.33 C ATOM 6 CG TRP A 60 2.887 0.394 0.040 1.00 41.11 C ATOM 7 CD1 TRP A 60 2.838 1.316 1.046 1.00 10.12 C ATOM 8 CD2 TRP A 60 3.482 -0.782 0.599 1.00 0.12 C ATOM 9 NE1 TRP A 60 3.367 0.784 2.198 1.00 75.05 N ATOM 10 CE2 TRP A 60 3.768 -0.502 1.950 1.00 71.01 C ATOM 11 CE3 TRP A 60 3.799 -2.045 0.091 1.00 1.45 C ATOM 12 CZ2 TRP A 60 4.356 -1.439 2.795 1.00 3.34 C ATOM 13 CZ3 TRP A 60 4.383 -2.973 0.932 1.00 62.01 C ATOM 14 CH2 TRP A 60 4.656 -2.667 2.272 1.00 42.13 C ATOM 0 HA TRP A 60 0.656 0.169 -2.536 1.00 52.25 H new ATOM 0 HB2 TRP A 60 3.235 0.349 -2.053 1.00 14.33 H new ATOM 0 HB3 TRP A 60 2.151 1.622 -1.526 1.00 14.33 H new ATOM 0 HD1 TRP A 60 2.442 2.316 0.951 1.00 10.12 H new ATOM 0 HE1 TRP A 60 3.448 1.268 3.092 1.00 75.05 H new ATOM 0 HE3 TRP A 60 3.591 -2.291 -0.940 1.00 1.45 H new ATOM 0 HZ2 TRP A 60 4.568 -1.205 3.828 1.00 3.34 H new ATOM 0 HZ3 TRP A 60 4.633 -3.952 0.550 1.00 62.01 H new ATOM 0 HH2 TRP A 60 5.112 -3.415 2.904 1.00 42.13 H new ATOM 25 N PHE A 61 1.022 -2.719 -1.724 1.00 41.43 N ATOM 26 CA PHE A 61 1.378 -4.083 -2.097 1.00 43.43 C ATOM 27 C PHE A 61 0.306 -4.700 -2.990 1.00 50.23 C ATOM 28 O PHE A 61 -0.884 -4.425 -2.832 1.00 4.21 O ATOM 29 CB PHE A 61 1.573 -4.942 -0.846 1.00 52.23 C ATOM 30 CG PHE A 61 1.296 -6.401 -1.072 1.00 42.31 C ATOM 31 CD1 PHE A 61 2.046 -7.129 -1.982 1.00 54.20 C ATOM 32 CD2 PHE A 61 0.286 -7.044 -0.375 1.00 3.12 C ATOM 33 CE1 PHE A 61 1.794 -8.472 -2.192 1.00 0.40 C ATOM 34 CE2 PHE A 61 0.030 -8.386 -0.580 1.00 64.52 C ATOM 35 CZ PHE A 61 0.784 -9.101 -1.491 1.00 3.13 C ATOM 0 H PHE A 61 0.232 -2.650 -1.082 1.00 41.43 H new ATOM 0 HA PHE A 61 2.314 -4.048 -2.655 1.00 43.43 H new ATOM 0 HB2 PHE A 61 2.597 -4.825 -0.491 1.00 52.23 H new ATOM 0 HB3 PHE A 61 0.918 -4.574 -0.056 1.00 52.23 H new ATOM 0 HD1 PHE A 61 2.836 -6.642 -2.533 1.00 54.20 H new ATOM 0 HD2 PHE A 61 -0.308 -6.490 0.337 1.00 3.12 H new ATOM 0 HE1 PHE A 61 2.386 -9.029 -2.903 1.00 0.40 H new ATOM 0 HE2 PHE A 61 -0.759 -8.876 -0.029 1.00 64.52 H new ATOM 0 HZ PHE A 61 0.584 -10.150 -1.654 1.00 3.13 H new ATOM 45 N PHE A 62 0.736 -5.535 -3.930 1.00 30.52 N ATOM 46 CA PHE A 62 -0.186 -6.191 -4.850 1.00 20.21 C ATOM 47 C PHE A 62 0.061 -7.696 -4.887 1.00 24.50 C ATOM 48 O PHE A 62 1.205 -8.148 -4.925 1.00 61.02 O ATOM 49 CB PHE A 62 -0.041 -5.604 -6.256 1.00 23.45 C ATOM 50 CG PHE A 62 -0.848 -4.356 -6.470 1.00 72.34 C ATOM 51 CD1 PHE A 62 -0.527 -3.184 -5.805 1.00 63.14 C ATOM 52 CD2 PHE A 62 -1.929 -4.356 -7.337 1.00 53.51 C ATOM 53 CE1 PHE A 62 -1.267 -2.034 -6.001 1.00 54.32 C ATOM 54 CE2 PHE A 62 -2.673 -3.208 -7.537 1.00 74.22 C ATOM 55 CZ PHE A 62 -2.343 -2.046 -6.868 1.00 21.25 C ATOM 0 H PHE A 62 1.717 -5.773 -4.075 1.00 30.52 H new ATOM 0 HA PHE A 62 -1.201 -6.016 -4.494 1.00 20.21 H new ATOM 0 HB2 PHE A 62 1.010 -5.384 -6.443 1.00 23.45 H new ATOM 0 HB3 PHE A 62 -0.345 -6.353 -6.987 1.00 23.45 H new ATOM 0 HD1 PHE A 62 0.312 -3.169 -5.125 1.00 63.14 H new ATOM 0 HD2 PHE A 62 -2.193 -5.262 -7.862 1.00 53.51 H new ATOM 0 HE1 PHE A 62 -1.005 -1.127 -5.477 1.00 54.32 H new ATOM 0 HE2 PHE A 62 -3.512 -3.220 -8.217 1.00 74.22 H new ATOM 0 HZ PHE A 62 -2.924 -1.149 -7.022 1.00 21.25 H new ATOM 65 N GLY A 63 -1.021 -8.469 -4.875 1.00 11.33 N ATOM 66 CA GLY A 63 -0.901 -9.915 -4.906 1.00 52.45 C ATOM 67 C GLY A 63 -0.943 -10.469 -6.317 1.00 33.04 C ATOM 68 O GLY A 63 -1.896 -10.228 -7.059 1.00 4.02 O ATOM 0 H GLY A 63 -1.979 -8.119 -4.844 1.00 11.33 H new ATOM 0 HA2 GLY A 63 0.035 -10.209 -4.431 1.00 52.45 H new ATOM 0 HA3 GLY A 63 -1.708 -10.356 -4.321 1.00 52.45 H new ATOM 72 N LYS A 64 0.092 -11.213 -6.689 1.00 65.22 N ATOM 73 CA LYS A 64 0.172 -11.804 -8.020 1.00 14.20 C ATOM 74 C LYS A 64 -0.288 -10.812 -9.084 1.00 14.14 C ATOM 75 O LYS A 64 -1.481 -10.705 -9.371 1.00 40.11 O ATOM 76 CB LYS A 64 -0.680 -13.073 -8.089 1.00 35.14 C ATOM 77 CG LYS A 64 -0.503 -13.990 -6.891 1.00 63.51 C ATOM 78 CD LYS A 64 0.781 -14.797 -6.992 1.00 61.03 C ATOM 79 CE LYS A 64 1.883 -14.201 -6.130 1.00 43.12 C ATOM 80 NZ LYS A 64 2.510 -15.222 -5.246 1.00 72.52 N ATOM 0 H LYS A 64 0.889 -11.422 -6.087 1.00 65.22 H new ATOM 0 HA LYS A 64 1.213 -12.062 -8.214 1.00 14.20 H new ATOM 0 HB2 LYS A 64 -1.730 -12.792 -8.169 1.00 35.14 H new ATOM 0 HB3 LYS A 64 -0.427 -13.621 -8.996 1.00 35.14 H new ATOM 0 HG2 LYS A 64 -0.490 -13.397 -5.976 1.00 63.51 H new ATOM 0 HG3 LYS A 64 -1.355 -14.667 -6.820 1.00 63.51 H new ATOM 0 HD2 LYS A 64 0.591 -15.825 -6.683 1.00 61.03 H new ATOM 0 HD3 LYS A 64 1.109 -14.832 -8.031 1.00 61.03 H new ATOM 0 HE2 LYS A 64 2.646 -13.758 -6.771 1.00 43.12 H new ATOM 0 HE3 LYS A 64 1.472 -13.396 -5.520 1.00 43.12 H new ATOM 0 HZ1 LYS A 64 2.755 -14.788 -4.334 1.00 72.52 H new ATOM 0 HZ2 LYS A 64 1.841 -16.003 -5.089 1.00 72.52 H new ATOM 0 HZ3 LYS A 64 3.372 -15.590 -5.697 1.00 72.52 H new ATOM 94 N ILE A 65 0.664 -10.090 -9.665 1.00 21.53 N ATOM 95 CA ILE A 65 0.356 -9.110 -10.698 1.00 53.12 C ATOM 96 C ILE A 65 1.516 -8.959 -11.676 1.00 52.14 C ATOM 97 O ILE A 65 2.680 -8.861 -11.287 1.00 53.12 O ATOM 98 CB ILE A 65 0.030 -7.733 -10.089 1.00 22.40 C ATOM 99 CG1 ILE A 65 1.213 -7.225 -9.262 1.00 13.21 C ATOM 100 CG2 ILE A 65 -1.225 -7.816 -9.233 1.00 60.43 C ATOM 101 CD1 ILE A 65 1.656 -5.828 -9.637 1.00 30.02 C ATOM 0 H ILE A 65 1.655 -10.166 -9.438 1.00 21.53 H new ATOM 0 HA ILE A 65 -0.520 -9.479 -11.231 1.00 53.12 H new ATOM 0 HB ILE A 65 -0.153 -7.027 -10.899 1.00 22.40 H new ATOM 0 HG12 ILE A 65 0.941 -7.240 -8.206 1.00 13.21 H new ATOM 0 HG13 ILE A 65 2.053 -7.909 -9.385 1.00 13.21 H new ATOM 0 HG21 ILE A 65 -1.442 -6.835 -8.810 1.00 60.43 H new ATOM 0 HG22 ILE A 65 -2.064 -8.140 -9.848 1.00 60.43 H new ATOM 0 HG23 ILE A 65 -1.069 -8.533 -8.427 1.00 60.43 H new ATOM 0 HD11 ILE A 65 2.498 -5.533 -9.011 1.00 30.02 H new ATOM 0 HD12 ILE A 65 1.959 -5.811 -10.684 1.00 30.02 H new ATOM 0 HD13 ILE A 65 0.831 -5.132 -9.487 1.00 30.02 H new ATOM 113 N PRO A 66 1.193 -8.938 -12.978 1.00 41.31 N ATOM 114 CA PRO A 66 2.194 -8.796 -14.040 1.00 22.24 C ATOM 115 C PRO A 66 2.814 -7.403 -14.070 1.00 20.31 C ATOM 116 O PRO A 66 2.146 -6.410 -13.781 1.00 62.14 O ATOM 117 CB PRO A 66 1.394 -9.053 -15.319 1.00 33.33 C ATOM 118 CG PRO A 66 -0.009 -8.696 -14.966 1.00 41.30 C ATOM 119 CD PRO A 66 -0.174 -9.050 -13.514 1.00 1.31 C ATOM 0 HA PRO A 66 3.033 -9.478 -13.902 1.00 22.24 H new ATOM 0 HB2 PRO A 66 1.762 -8.444 -16.145 1.00 33.33 H new ATOM 0 HB3 PRO A 66 1.471 -10.094 -15.632 1.00 33.33 H new ATOM 0 HG2 PRO A 66 -0.195 -7.635 -15.133 1.00 41.30 H new ATOM 0 HG3 PRO A 66 -0.719 -9.245 -15.585 1.00 41.30 H new ATOM 0 HD2 PRO A 66 -0.860 -8.369 -13.010 1.00 1.31 H new ATOM 0 HD3 PRO A 66 -0.574 -10.056 -13.389 1.00 1.31 H new ATOM 127 N ARG A 67 4.094 -7.338 -14.421 1.00 40.24 N ATOM 128 CA ARG A 67 4.804 -6.066 -14.489 1.00 33.14 C ATOM 129 C ARG A 67 3.958 -5.008 -15.191 1.00 11.10 C ATOM 130 O ARG A 67 4.048 -3.821 -14.881 1.00 3.53 O ATOM 131 CB ARG A 67 6.135 -6.239 -15.221 1.00 43.15 C ATOM 132 CG ARG A 67 6.010 -6.972 -16.547 1.00 24.42 C ATOM 133 CD ARG A 67 7.286 -6.862 -17.367 1.00 40.12 C ATOM 134 NE ARG A 67 8.463 -7.275 -16.607 1.00 71.04 N ATOM 135 CZ ARG A 67 9.705 -6.936 -16.934 1.00 51.50 C ATOM 136 NH1 ARG A 67 9.931 -6.181 -18.001 1.00 33.13 N ATOM 137 NH2 ARG A 67 10.724 -7.351 -16.193 1.00 2.53 N ATOM 0 H ARG A 67 4.661 -8.151 -14.663 1.00 40.24 H new ATOM 0 HA ARG A 67 4.999 -5.732 -13.470 1.00 33.14 H new ATOM 0 HB2 ARG A 67 6.573 -5.257 -15.398 1.00 43.15 H new ATOM 0 HB3 ARG A 67 6.826 -6.784 -14.578 1.00 43.15 H new ATOM 0 HG2 ARG A 67 5.784 -8.022 -16.363 1.00 24.42 H new ATOM 0 HG3 ARG A 67 5.175 -6.560 -17.114 1.00 24.42 H new ATOM 0 HD2 ARG A 67 7.197 -7.479 -18.261 1.00 40.12 H new ATOM 0 HD3 ARG A 67 7.414 -5.833 -17.702 1.00 40.12 H new ATOM 0 HE ARG A 67 8.324 -7.855 -15.780 1.00 71.04 H new ATOM 0 HH11 ARG A 67 9.150 -5.859 -18.573 1.00 33.13 H new ATOM 0 HH12 ARG A 67 10.886 -5.922 -18.250 1.00 33.13 H new ATOM 0 HH21 ARG A 67 10.554 -7.931 -15.371 1.00 2.53 H new ATOM 0 HH22 ARG A 67 11.677 -7.090 -16.445 1.00 2.53 H new ATOM 151 N ALA A 68 3.137 -5.448 -16.139 1.00 12.41 N ATOM 152 CA ALA A 68 2.274 -4.539 -16.884 1.00 61.20 C ATOM 153 C ALA A 68 1.275 -3.850 -15.961 1.00 3.41 C ATOM 154 O ALA A 68 1.165 -2.623 -15.954 1.00 33.44 O ATOM 155 CB ALA A 68 1.544 -5.291 -17.987 1.00 42.45 C ATOM 0 H ALA A 68 3.051 -6.428 -16.409 1.00 12.41 H new ATOM 0 HA ALA A 68 2.901 -3.770 -17.336 1.00 61.20 H new ATOM 0 HB1 ALA A 68 0.903 -4.601 -18.535 1.00 42.45 H new ATOM 0 HB2 ALA A 68 2.271 -5.732 -18.670 1.00 42.45 H new ATOM 0 HB3 ALA A 68 0.934 -6.080 -17.547 1.00 42.45 H new ATOM 161 N LYS A 69 0.549 -4.645 -15.183 1.00 72.12 N ATOM 162 CA LYS A 69 -0.441 -4.112 -14.255 1.00 33.10 C ATOM 163 C LYS A 69 0.185 -3.077 -13.326 1.00 43.24 C ATOM 164 O LYS A 69 -0.347 -1.981 -13.155 1.00 2.43 O ATOM 165 CB LYS A 69 -1.059 -5.244 -13.431 1.00 55.10 C ATOM 166 CG LYS A 69 -2.569 -5.142 -13.294 1.00 23.04 C ATOM 167 CD LYS A 69 -3.282 -5.956 -14.360 1.00 60.10 C ATOM 168 CE LYS A 69 -4.589 -6.534 -13.839 1.00 51.41 C ATOM 169 NZ LYS A 69 -5.767 -5.989 -14.570 1.00 44.20 N ATOM 0 H LYS A 69 0.628 -5.662 -15.177 1.00 72.12 H new ATOM 0 HA LYS A 69 -1.223 -3.625 -14.838 1.00 33.10 H new ATOM 0 HB2 LYS A 69 -0.808 -6.198 -13.894 1.00 55.10 H new ATOM 0 HB3 LYS A 69 -0.612 -5.245 -12.437 1.00 55.10 H new ATOM 0 HG2 LYS A 69 -2.870 -5.491 -12.306 1.00 23.04 H new ATOM 0 HG3 LYS A 69 -2.872 -4.098 -13.369 1.00 23.04 H new ATOM 0 HD2 LYS A 69 -3.481 -5.326 -15.227 1.00 60.10 H new ATOM 0 HD3 LYS A 69 -2.633 -6.765 -14.696 1.00 60.10 H new ATOM 0 HE2 LYS A 69 -4.571 -7.619 -13.937 1.00 51.41 H new ATOM 0 HE3 LYS A 69 -4.686 -6.312 -12.776 1.00 51.41 H new ATOM 0 HZ1 LYS A 69 -6.638 -6.407 -14.186 1.00 44.20 H new ATOM 0 HZ2 LYS A 69 -5.799 -4.956 -14.455 1.00 44.20 H new ATOM 0 HZ3 LYS A 69 -5.687 -6.223 -15.580 1.00 44.20 H new ATOM 183 N ALA A 70 1.319 -3.432 -12.731 1.00 42.11 N ATOM 184 CA ALA A 70 2.020 -2.532 -11.823 1.00 73.12 C ATOM 185 C ALA A 70 2.241 -1.167 -12.465 1.00 54.34 C ATOM 186 O ALA A 70 1.817 -0.143 -11.929 1.00 61.33 O ATOM 187 CB ALA A 70 3.349 -3.139 -11.399 1.00 72.44 C ATOM 0 H ALA A 70 1.772 -4.337 -12.861 1.00 42.11 H new ATOM 0 HA ALA A 70 1.398 -2.392 -10.939 1.00 73.12 H new ATOM 0 HB1 ALA A 70 3.861 -2.456 -10.721 1.00 72.44 H new ATOM 0 HB2 ALA A 70 3.171 -4.087 -10.892 1.00 72.44 H new ATOM 0 HB3 ALA A 70 3.969 -3.309 -12.279 1.00 72.44 H new ATOM 193 N GLU A 71 2.907 -1.160 -13.616 1.00 14.31 N ATOM 194 CA GLU A 71 3.184 0.081 -14.329 1.00 45.24 C ATOM 195 C GLU A 71 1.911 0.902 -14.510 1.00 74.34 C ATOM 196 O GLU A 71 1.932 2.128 -14.416 1.00 1.31 O ATOM 197 CB GLU A 71 3.810 -0.218 -15.693 1.00 52.25 C ATOM 198 CG GLU A 71 5.029 -1.121 -15.619 1.00 61.42 C ATOM 199 CD GLU A 71 5.105 -2.095 -16.779 1.00 42.03 C ATOM 200 OE1 GLU A 71 4.617 -1.751 -17.876 1.00 31.41 O ATOM 201 OE2 GLU A 71 5.654 -3.201 -16.590 1.00 12.12 O ATOM 0 H GLU A 71 3.264 -1.999 -14.074 1.00 14.31 H new ATOM 0 HA GLU A 71 3.888 0.662 -13.733 1.00 45.24 H new ATOM 0 HB2 GLU A 71 3.061 -0.685 -16.332 1.00 52.25 H new ATOM 0 HB3 GLU A 71 4.093 0.722 -16.167 1.00 52.25 H new ATOM 0 HG2 GLU A 71 5.930 -0.508 -15.605 1.00 61.42 H new ATOM 0 HG3 GLU A 71 5.007 -1.678 -14.682 1.00 61.42 H new ATOM 208 N GLU A 72 0.803 0.214 -14.772 1.00 1.33 N ATOM 209 CA GLU A 72 -0.480 0.880 -14.967 1.00 63.55 C ATOM 210 C GLU A 72 -0.982 1.488 -13.661 1.00 72.52 C ATOM 211 O GLU A 72 -1.503 2.603 -13.643 1.00 65.42 O ATOM 212 CB GLU A 72 -1.513 -0.108 -15.514 1.00 51.31 C ATOM 213 CG GLU A 72 -1.337 -0.418 -16.991 1.00 42.10 C ATOM 214 CD GLU A 72 -1.926 0.654 -17.887 1.00 10.53 C ATOM 215 OE1 GLU A 72 -3.164 0.674 -18.052 1.00 42.12 O ATOM 216 OE2 GLU A 72 -1.150 1.473 -18.422 1.00 53.41 O ATOM 0 H GLU A 72 0.768 -0.802 -14.854 1.00 1.33 H new ATOM 0 HA GLU A 72 -0.338 1.684 -15.689 1.00 63.55 H new ATOM 0 HB2 GLU A 72 -1.451 -1.037 -14.947 1.00 51.31 H new ATOM 0 HB3 GLU A 72 -2.512 0.298 -15.353 1.00 51.31 H new ATOM 0 HG2 GLU A 72 -0.275 -0.527 -17.211 1.00 42.10 H new ATOM 0 HG3 GLU A 72 -1.809 -1.374 -17.216 1.00 42.10 H new ATOM 223 N MET A 73 -0.823 0.746 -12.570 1.00 62.52 N ATOM 224 CA MET A 73 -1.260 1.211 -11.259 1.00 44.41 C ATOM 225 C MET A 73 -0.533 2.494 -10.868 1.00 44.10 C ATOM 226 O MET A 73 -1.106 3.372 -10.221 1.00 64.11 O ATOM 227 CB MET A 73 -1.016 0.131 -10.203 1.00 53.33 C ATOM 228 CG MET A 73 -1.853 -1.121 -10.410 1.00 52.45 C ATOM 229 SD MET A 73 -3.620 -0.770 -10.485 1.00 74.20 S ATOM 230 CE MET A 73 -3.907 -0.850 -12.251 1.00 52.02 C ATOM 0 H MET A 73 -0.395 -0.180 -12.568 1.00 62.52 H new ATOM 0 HA MET A 73 -2.328 1.421 -11.313 1.00 44.41 H new ATOM 0 HB2 MET A 73 0.039 -0.142 -10.211 1.00 53.33 H new ATOM 0 HB3 MET A 73 -1.231 0.543 -9.217 1.00 53.33 H new ATOM 0 HG2 MET A 73 -1.544 -1.611 -11.333 1.00 52.45 H new ATOM 0 HG3 MET A 73 -1.660 -1.821 -9.597 1.00 52.45 H new ATOM 0 HE1 MET A 73 -4.979 -0.885 -12.444 1.00 52.02 H new ATOM 0 HE2 MET A 73 -3.481 0.032 -12.729 1.00 52.02 H new ATOM 0 HE3 MET A 73 -3.436 -1.746 -12.656 1.00 52.02 H new ATOM 240 N LEU A 74 0.731 2.597 -11.264 1.00 24.43 N ATOM 241 CA LEU A 74 1.537 3.773 -10.954 1.00 61.31 C ATOM 242 C LEU A 74 1.226 4.914 -11.916 1.00 50.54 C ATOM 243 O LEU A 74 0.875 6.016 -11.495 1.00 54.40 O ATOM 244 CB LEU A 74 3.026 3.427 -11.019 1.00 73.12 C ATOM 245 CG LEU A 74 3.443 2.124 -10.336 1.00 73.12 C ATOM 246 CD1 LEU A 74 4.797 1.661 -10.851 1.00 74.21 C ATOM 247 CD2 LEU A 74 3.477 2.301 -8.825 1.00 52.02 C ATOM 0 H LEU A 74 1.220 1.880 -11.800 1.00 24.43 H new ATOM 0 HA LEU A 74 1.290 4.097 -9.943 1.00 61.31 H new ATOM 0 HB2 LEU A 74 3.321 3.375 -12.067 1.00 73.12 H new ATOM 0 HB3 LEU A 74 3.589 4.245 -10.570 1.00 73.12 H new ATOM 0 HG LEU A 74 2.705 1.358 -10.575 1.00 73.12 H new ATOM 0 HD11 LEU A 74 5.077 0.732 -10.354 1.00 74.21 H new ATOM 0 HD12 LEU A 74 4.739 1.494 -11.927 1.00 74.21 H new ATOM 0 HD13 LEU A 74 5.546 2.425 -10.642 1.00 74.21 H new ATOM 0 HD21 LEU A 74 3.776 1.364 -8.356 1.00 52.02 H new ATOM 0 HD22 LEU A 74 4.193 3.081 -8.566 1.00 52.02 H new ATOM 0 HD23 LEU A 74 2.487 2.585 -8.470 1.00 52.02 H new ATOM 259 N SER A 75 1.356 4.642 -13.211 1.00 13.50 N ATOM 260 CA SER A 75 1.090 5.647 -14.234 1.00 11.54 C ATOM 261 C SER A 75 -0.191 6.415 -13.921 1.00 3.53 C ATOM 262 O SER A 75 -0.199 7.646 -13.890 1.00 52.33 O ATOM 263 CB SER A 75 0.980 4.988 -15.610 1.00 15.51 C ATOM 264 OG SER A 75 1.545 5.811 -16.616 1.00 31.21 O ATOM 0 H SER A 75 1.644 3.734 -13.576 1.00 13.50 H new ATOM 0 HA SER A 75 1.922 6.351 -14.242 1.00 11.54 H new ATOM 0 HB2 SER A 75 1.488 4.024 -15.597 1.00 15.51 H new ATOM 0 HB3 SER A 75 -0.067 4.793 -15.841 1.00 15.51 H new ATOM 0 HG SER A 75 1.464 5.367 -17.486 1.00 31.21 H new ATOM 270 N LYS A 76 -1.272 5.680 -13.689 1.00 34.35 N ATOM 271 CA LYS A 76 -2.560 6.289 -13.376 1.00 60.44 C ATOM 272 C LYS A 76 -2.403 7.386 -12.329 1.00 51.41 C ATOM 273 O LYS A 76 -3.139 8.373 -12.337 1.00 45.11 O ATOM 274 CB LYS A 76 -3.541 5.227 -12.875 1.00 33.13 C ATOM 275 CG LYS A 76 -3.054 4.481 -11.645 1.00 24.41 C ATOM 276 CD LYS A 76 -4.209 4.069 -10.748 1.00 21.20 C ATOM 277 CE LYS A 76 -4.443 2.567 -10.795 1.00 73.34 C ATOM 278 NZ LYS A 76 -5.875 2.221 -10.572 1.00 5.43 N ATOM 0 H LYS A 76 -1.283 4.660 -13.712 1.00 34.35 H new ATOM 0 HA LYS A 76 -2.954 6.736 -14.289 1.00 60.44 H new ATOM 0 HB2 LYS A 76 -4.494 5.704 -12.647 1.00 33.13 H new ATOM 0 HB3 LYS A 76 -3.727 4.510 -13.675 1.00 33.13 H new ATOM 0 HG2 LYS A 76 -2.497 3.596 -11.952 1.00 24.41 H new ATOM 0 HG3 LYS A 76 -2.365 5.113 -11.085 1.00 24.41 H new ATOM 0 HD2 LYS A 76 -4.001 4.374 -9.722 1.00 21.20 H new ATOM 0 HD3 LYS A 76 -5.115 4.589 -11.058 1.00 21.20 H new ATOM 0 HE2 LYS A 76 -4.122 2.180 -11.762 1.00 73.34 H new ATOM 0 HE3 LYS A 76 -3.829 2.080 -10.037 1.00 73.34 H new ATOM 0 HZ1 LYS A 76 -5.993 1.188 -10.612 1.00 5.43 H new ATOM 0 HZ2 LYS A 76 -6.175 2.568 -9.639 1.00 5.43 H new ATOM 0 HZ3 LYS A 76 -6.458 2.665 -11.310 1.00 5.43 H new ATOM 292 N GLN A 77 -1.440 7.208 -11.431 1.00 21.21 N ATOM 293 CA GLN A 77 -1.187 8.184 -10.378 1.00 51.51 C ATOM 294 C GLN A 77 -0.851 9.549 -10.971 1.00 14.13 C ATOM 295 O GLN A 77 -0.641 9.678 -12.177 1.00 10.02 O ATOM 296 CB GLN A 77 -0.045 7.711 -9.478 1.00 5.22 C ATOM 297 CG GLN A 77 -0.272 6.332 -8.880 1.00 13.20 C ATOM 298 CD GLN A 77 -1.321 6.337 -7.786 1.00 33.44 C ATOM 299 OE1 GLN A 77 -1.643 7.383 -7.223 1.00 15.43 O ATOM 300 NE2 GLN A 77 -1.861 5.163 -7.478 1.00 10.03 N ATOM 0 H GLN A 77 -0.822 6.397 -11.411 1.00 21.21 H new ATOM 0 HA GLN A 77 -2.094 8.280 -9.781 1.00 51.51 H new ATOM 0 HB2 GLN A 77 0.880 7.700 -10.055 1.00 5.22 H new ATOM 0 HB3 GLN A 77 0.091 8.430 -8.670 1.00 5.22 H new ATOM 0 HG2 GLN A 77 -0.578 5.644 -9.668 1.00 13.20 H new ATOM 0 HG3 GLN A 77 0.668 5.956 -8.476 1.00 13.20 H new ATOM 0 HE21 GLN A 77 -1.564 4.320 -7.970 1.00 10.03 H new ATOM 0 HE22 GLN A 77 -2.572 5.104 -6.749 1.00 10.03 H new ATOM 309 N ARG A 78 -0.803 10.565 -10.115 1.00 35.31 N ATOM 310 CA ARG A 78 -0.495 11.920 -10.554 1.00 40.24 C ATOM 311 C ARG A 78 0.905 12.331 -10.107 1.00 53.40 C ATOM 312 O ARG A 78 1.582 13.105 -10.784 1.00 42.24 O ATOM 313 CB ARG A 78 -1.528 12.905 -10.004 1.00 1.11 C ATOM 314 CG ARG A 78 -2.951 12.371 -10.026 1.00 2.13 C ATOM 315 CD ARG A 78 -3.457 12.191 -11.449 1.00 4.55 C ATOM 316 NE ARG A 78 -4.907 12.337 -11.536 1.00 71.52 N ATOM 317 CZ ARG A 78 -5.545 12.680 -12.649 1.00 74.55 C ATOM 318 NH1 ARG A 78 -4.865 12.911 -13.763 1.00 63.04 N ATOM 319 NH2 ARG A 78 -6.868 12.791 -12.650 1.00 43.10 N ATOM 0 H ARG A 78 -0.974 10.475 -9.113 1.00 35.31 H new ATOM 0 HA ARG A 78 -0.530 11.939 -11.643 1.00 40.24 H new ATOM 0 HB2 ARG A 78 -1.262 13.163 -8.979 1.00 1.11 H new ATOM 0 HB3 ARG A 78 -1.485 13.826 -10.586 1.00 1.11 H new ATOM 0 HG2 ARG A 78 -2.991 11.416 -9.501 1.00 2.13 H new ATOM 0 HG3 ARG A 78 -3.607 13.057 -9.490 1.00 2.13 H new ATOM 0 HD2 ARG A 78 -2.979 12.924 -12.099 1.00 4.55 H new ATOM 0 HD3 ARG A 78 -3.169 11.205 -11.814 1.00 4.55 H new ATOM 0 HE ARG A 78 -5.460 12.166 -10.696 1.00 71.52 H new ATOM 0 HH11 ARG A 78 -3.849 12.825 -13.767 1.00 63.04 H new ATOM 0 HH12 ARG A 78 -5.358 13.174 -14.616 1.00 63.04 H new ATOM 0 HH21 ARG A 78 -7.395 12.613 -11.795 1.00 43.10 H new ATOM 0 HH22 ARG A 78 -7.357 13.055 -13.505 1.00 43.10 H new ATOM 333 N HIS A 79 1.332 11.809 -8.962 1.00 32.13 N ATOM 334 CA HIS A 79 2.651 12.122 -8.424 1.00 30.43 C ATOM 335 C HIS A 79 3.746 11.447 -9.244 1.00 42.33 C ATOM 336 O HIS A 79 3.473 10.829 -10.273 1.00 52.13 O ATOM 337 CB HIS A 79 2.747 11.680 -6.963 1.00 10.20 C ATOM 338 CG HIS A 79 1.416 11.546 -6.289 1.00 61.53 C ATOM 339 ND1 HIS A 79 0.281 12.272 -6.418 1.00 30.42 N flip ATOM 340 CD2 HIS A 79 1.141 10.570 -5.355 1.00 22.21 C flip ATOM 341 CE1 HIS A 79 -0.650 11.726 -5.568 1.00 11.40 C flip ATOM 342 NE2 HIS A 79 -0.106 10.700 -4.939 1.00 42.44 N flip ATOM 0 H HIS A 79 0.784 11.167 -8.389 1.00 32.13 H new ATOM 0 HA HIS A 79 2.792 13.201 -8.480 1.00 30.43 H new ATOM 0 HB2 HIS A 79 3.267 10.723 -6.915 1.00 10.20 H new ATOM 0 HB3 HIS A 79 3.353 12.400 -6.413 1.00 10.20 H new ATOM 0 HD2 HIS A 79 1.837 9.817 -5.016 1.00 22.21 H new ATOM 0 HE1 HIS A 79 -1.662 12.078 -5.436 1.00 11.40 H new ATOM 0 HE2 HIS A 79 -0.570 10.109 -4.249 1.00 42.44 H new ATOM 350 N ASP A 80 4.986 11.571 -8.783 1.00 13.33 N ATOM 351 CA ASP A 80 6.122 10.974 -9.474 1.00 23.43 C ATOM 352 C ASP A 80 6.977 10.158 -8.509 1.00 4.23 C ATOM 353 O ASP A 80 7.463 10.676 -7.504 1.00 35.03 O ATOM 354 CB ASP A 80 6.973 12.059 -10.135 1.00 55.34 C ATOM 355 CG ASP A 80 6.179 12.897 -11.119 1.00 61.31 C ATOM 356 OD1 ASP A 80 5.743 12.345 -12.152 1.00 11.45 O ATOM 357 OD2 ASP A 80 5.994 14.103 -10.856 1.00 55.11 O ATOM 0 H ASP A 80 5.230 12.080 -7.933 1.00 13.33 H new ATOM 0 HA ASP A 80 5.736 10.306 -10.244 1.00 23.43 H new ATOM 0 HB2 ASP A 80 7.392 12.707 -9.365 1.00 55.34 H new ATOM 0 HB3 ASP A 80 7.812 11.594 -10.652 1.00 55.34 H new ATOM 362 N GLY A 81 7.157 8.878 -8.821 1.00 52.33 N ATOM 363 CA GLY A 81 7.952 8.012 -7.971 1.00 61.45 C ATOM 364 C GLY A 81 7.108 6.997 -7.226 1.00 71.23 C ATOM 365 O GLY A 81 7.526 6.468 -6.197 1.00 10.02 O ATOM 0 H GLY A 81 6.766 8.426 -9.647 1.00 52.33 H new ATOM 0 HA2 GLY A 81 8.690 7.490 -8.579 1.00 61.45 H new ATOM 0 HA3 GLY A 81 8.503 8.619 -7.253 1.00 61.45 H new ATOM 369 N ALA A 82 5.915 6.725 -7.746 1.00 44.43 N ATOM 370 CA ALA A 82 5.011 5.767 -7.124 1.00 15.35 C ATOM 371 C ALA A 82 5.648 4.385 -7.040 1.00 20.44 C ATOM 372 O ALA A 82 6.126 3.849 -8.040 1.00 20.43 O ATOM 373 CB ALA A 82 3.700 5.701 -7.894 1.00 64.33 C ATOM 0 H ALA A 82 5.553 7.155 -8.597 1.00 44.43 H new ATOM 0 HA ALA A 82 4.806 6.105 -6.108 1.00 15.35 H new ATOM 0 HB1 ALA A 82 3.034 4.981 -7.418 1.00 64.33 H new ATOM 0 HB2 ALA A 82 3.229 6.684 -7.896 1.00 64.33 H new ATOM 0 HB3 ALA A 82 3.896 5.390 -8.920 1.00 64.33 H new ATOM 379 N PHE A 83 5.652 3.812 -5.840 1.00 64.04 N ATOM 380 CA PHE A 83 6.233 2.492 -5.626 1.00 21.41 C ATOM 381 C PHE A 83 5.142 1.445 -5.415 1.00 45.45 C ATOM 382 O PHE A 83 4.075 1.744 -4.877 1.00 63.25 O ATOM 383 CB PHE A 83 7.173 2.515 -4.419 1.00 22.42 C ATOM 384 CG PHE A 83 6.455 2.555 -3.100 1.00 71.13 C ATOM 385 CD1 PHE A 83 6.091 1.382 -2.458 1.00 41.05 C ATOM 386 CD2 PHE A 83 6.144 3.766 -2.503 1.00 31.55 C ATOM 387 CE1 PHE A 83 5.429 1.416 -1.246 1.00 4.54 C ATOM 388 CE2 PHE A 83 5.483 3.806 -1.289 1.00 54.24 C ATOM 389 CZ PHE A 83 5.126 2.630 -0.660 1.00 31.13 C ATOM 0 H PHE A 83 5.260 4.241 -5.002 1.00 64.04 H new ATOM 0 HA PHE A 83 6.802 2.224 -6.516 1.00 21.41 H new ATOM 0 HB2 PHE A 83 7.812 1.632 -4.449 1.00 22.42 H new ATOM 0 HB3 PHE A 83 7.827 3.384 -4.494 1.00 22.42 H new ATOM 0 HD1 PHE A 83 6.328 0.430 -2.910 1.00 41.05 H new ATOM 0 HD2 PHE A 83 6.421 4.689 -2.991 1.00 31.55 H new ATOM 0 HE1 PHE A 83 5.149 0.495 -0.757 1.00 4.54 H new ATOM 0 HE2 PHE A 83 5.246 4.756 -0.833 1.00 54.24 H new ATOM 0 HZ PHE A 83 4.611 2.659 0.289 1.00 31.13 H new ATOM 399 N LEU A 84 5.418 0.218 -5.844 1.00 13.51 N ATOM 400 CA LEU A 84 4.461 -0.874 -5.704 1.00 14.54 C ATOM 401 C LEU A 84 5.174 -2.221 -5.662 1.00 2.03 C ATOM 402 O LEU A 84 5.814 -2.626 -6.633 1.00 2.23 O ATOM 403 CB LEU A 84 3.458 -0.850 -6.858 1.00 73.44 C ATOM 404 CG LEU A 84 2.661 -2.136 -7.081 1.00 35.11 C ATOM 405 CD1 LEU A 84 1.290 -1.821 -7.659 1.00 14.12 C ATOM 406 CD2 LEU A 84 3.422 -3.084 -7.996 1.00 31.10 C ATOM 0 H LEU A 84 6.296 -0.045 -6.291 1.00 13.51 H new ATOM 0 HA LEU A 84 3.927 -0.738 -4.764 1.00 14.54 H new ATOM 0 HB2 LEU A 84 2.755 -0.036 -6.685 1.00 73.44 H new ATOM 0 HB3 LEU A 84 3.997 -0.616 -7.776 1.00 73.44 H new ATOM 0 HG LEU A 84 2.523 -2.626 -6.117 1.00 35.11 H new ATOM 0 HD11 LEU A 84 0.737 -2.748 -7.811 1.00 14.12 H new ATOM 0 HD12 LEU A 84 0.742 -1.181 -6.968 1.00 14.12 H new ATOM 0 HD13 LEU A 84 1.407 -1.308 -8.613 1.00 14.12 H new ATOM 0 HD21 LEU A 84 2.840 -3.993 -8.143 1.00 31.10 H new ATOM 0 HD22 LEU A 84 3.592 -2.602 -8.959 1.00 31.10 H new ATOM 0 HD23 LEU A 84 4.380 -3.336 -7.542 1.00 31.10 H new ATOM 418 N ILE A 85 5.058 -2.911 -4.532 1.00 71.34 N ATOM 419 CA ILE A 85 5.689 -4.215 -4.366 1.00 1.42 C ATOM 420 C ILE A 85 4.736 -5.340 -4.752 1.00 32.42 C ATOM 421 O ILE A 85 3.636 -5.450 -4.209 1.00 42.11 O ATOM 422 CB ILE A 85 6.160 -4.431 -2.916 1.00 4.44 C ATOM 423 CG1 ILE A 85 7.086 -3.292 -2.482 1.00 70.01 C ATOM 424 CG2 ILE A 85 6.864 -5.773 -2.782 1.00 1.22 C ATOM 425 CD1 ILE A 85 7.633 -3.458 -1.082 1.00 23.22 C ATOM 0 H ILE A 85 4.533 -2.589 -3.719 1.00 71.34 H new ATOM 0 HA ILE A 85 6.555 -4.233 -5.028 1.00 1.42 H new ATOM 0 HB ILE A 85 5.287 -4.434 -2.263 1.00 4.44 H new ATOM 0 HG12 ILE A 85 7.918 -3.224 -3.183 1.00 70.01 H new ATOM 0 HG13 ILE A 85 6.542 -2.349 -2.541 1.00 70.01 H new ATOM 0 HG21 ILE A 85 7.191 -5.911 -1.751 1.00 1.22 H new ATOM 0 HG22 ILE A 85 6.176 -6.573 -3.055 1.00 1.22 H new ATOM 0 HG23 ILE A 85 7.730 -5.797 -3.444 1.00 1.22 H new ATOM 0 HD11 ILE A 85 8.281 -2.615 -0.842 1.00 23.22 H new ATOM 0 HD12 ILE A 85 6.808 -3.495 -0.371 1.00 23.22 H new ATOM 0 HD13 ILE A 85 8.206 -4.384 -1.022 1.00 23.22 H new ATOM 437 N ARG A 86 5.166 -6.176 -5.691 1.00 74.34 N ATOM 438 CA ARG A 86 4.351 -7.295 -6.150 1.00 13.13 C ATOM 439 C ARG A 86 5.008 -8.626 -5.799 1.00 65.43 C ATOM 440 O ARG A 86 6.234 -8.737 -5.777 1.00 12.34 O ATOM 441 CB ARG A 86 4.128 -7.206 -7.661 1.00 10.14 C ATOM 442 CG ARG A 86 5.409 -7.013 -8.455 1.00 5.22 C ATOM 443 CD ARG A 86 5.366 -5.736 -9.280 1.00 24.20 C ATOM 444 NE ARG A 86 6.688 -5.359 -9.773 1.00 41.44 N ATOM 445 CZ ARG A 86 7.236 -5.869 -10.870 1.00 45.03 C ATOM 446 NH1 ARG A 86 6.580 -6.773 -11.585 1.00 3.05 N ATOM 447 NH2 ARG A 86 8.444 -5.475 -11.255 1.00 54.22 N ATOM 0 H ARG A 86 6.074 -6.100 -6.149 1.00 74.34 H new ATOM 0 HA ARG A 86 3.387 -7.241 -5.644 1.00 13.13 H new ATOM 0 HB2 ARG A 86 3.633 -8.116 -8.001 1.00 10.14 H new ATOM 0 HB3 ARG A 86 3.452 -6.378 -7.872 1.00 10.14 H new ATOM 0 HG2 ARG A 86 6.259 -6.979 -7.774 1.00 5.22 H new ATOM 0 HG3 ARG A 86 5.563 -7.868 -9.114 1.00 5.22 H new ATOM 0 HD2 ARG A 86 4.690 -5.872 -10.124 1.00 24.20 H new ATOM 0 HD3 ARG A 86 4.960 -4.926 -8.674 1.00 24.20 H new ATOM 0 HE ARG A 86 7.220 -4.666 -9.246 1.00 41.44 H new ATOM 0 HH11 ARG A 86 5.652 -7.079 -11.293 1.00 3.05 H new ATOM 0 HH12 ARG A 86 7.004 -7.163 -12.427 1.00 3.05 H new ATOM 0 HH21 ARG A 86 8.952 -4.780 -10.708 1.00 54.22 H new ATOM 0 HH22 ARG A 86 8.864 -5.867 -12.098 1.00 54.22 H new ATOM 461 N GLU A 87 4.185 -9.634 -5.526 1.00 41.24 N ATOM 462 CA GLU A 87 4.688 -10.957 -5.176 1.00 11.12 C ATOM 463 C GLU A 87 4.757 -11.856 -6.407 1.00 24.23 C ATOM 464 O GLU A 87 3.810 -11.930 -7.189 1.00 42.44 O ATOM 465 CB GLU A 87 3.797 -11.600 -4.111 1.00 0.43 C ATOM 466 CG GLU A 87 4.567 -12.405 -3.078 1.00 64.42 C ATOM 467 CD GLU A 87 3.657 -13.112 -2.092 1.00 65.24 C ATOM 468 OE1 GLU A 87 2.502 -12.669 -1.928 1.00 73.30 O ATOM 469 OE2 GLU A 87 4.102 -14.109 -1.485 1.00 60.14 O ATOM 0 H GLU A 87 3.168 -9.559 -5.541 1.00 41.24 H new ATOM 0 HA GLU A 87 5.695 -10.841 -4.775 1.00 11.12 H new ATOM 0 HB2 GLU A 87 3.231 -10.819 -3.603 1.00 0.43 H new ATOM 0 HB3 GLU A 87 3.073 -12.251 -4.600 1.00 0.43 H new ATOM 0 HG2 GLU A 87 5.188 -13.142 -3.587 1.00 64.42 H new ATOM 0 HG3 GLU A 87 5.240 -11.742 -2.534 1.00 64.42 H new ATOM 476 N SER A 88 5.886 -12.538 -6.571 1.00 23.42 N ATOM 477 CA SER A 88 6.082 -13.430 -7.708 1.00 43.32 C ATOM 478 C SER A 88 5.034 -14.538 -7.717 1.00 22.34 C ATOM 479 O SER A 88 4.653 -15.054 -6.666 1.00 53.43 O ATOM 480 CB SER A 88 7.485 -14.039 -7.670 1.00 2.11 C ATOM 481 OG SER A 88 8.363 -13.353 -8.545 1.00 3.50 O ATOM 0 H SER A 88 6.679 -12.490 -5.931 1.00 23.42 H new ATOM 0 HA SER A 88 5.973 -12.844 -8.621 1.00 43.32 H new ATOM 0 HB2 SER A 88 7.875 -13.998 -6.653 1.00 2.11 H new ATOM 0 HB3 SER A 88 7.436 -15.091 -7.951 1.00 2.11 H new ATOM 0 HG SER A 88 9.253 -13.760 -8.501 1.00 3.50 H new ATOM 487 N GLU A 89 4.573 -14.899 -8.910 1.00 62.31 N ATOM 488 CA GLU A 89 3.568 -15.946 -9.056 1.00 25.04 C ATOM 489 C GLU A 89 4.194 -17.328 -8.887 1.00 11.30 C ATOM 490 O GLU A 89 3.818 -18.086 -7.994 1.00 33.35 O ATOM 491 CB GLU A 89 2.889 -15.845 -10.423 1.00 30.12 C ATOM 492 CG GLU A 89 2.529 -14.423 -10.820 1.00 35.41 C ATOM 493 CD GLU A 89 1.077 -14.284 -11.236 1.00 21.11 C ATOM 494 OE1 GLU A 89 0.253 -15.118 -10.805 1.00 41.51 O ATOM 495 OE2 GLU A 89 0.765 -13.341 -11.993 1.00 5.43 O ATOM 0 H GLU A 89 4.879 -14.482 -9.789 1.00 62.31 H new ATOM 0 HA GLU A 89 2.819 -15.807 -8.276 1.00 25.04 H new ATOM 0 HB2 GLU A 89 3.550 -16.268 -11.180 1.00 30.12 H new ATOM 0 HB3 GLU A 89 1.983 -16.451 -10.415 1.00 30.12 H new ATOM 0 HG2 GLU A 89 2.729 -13.754 -9.983 1.00 35.41 H new ATOM 0 HG3 GLU A 89 3.171 -14.106 -11.642 1.00 35.41 H new ATOM 502 N SER A 90 5.151 -17.647 -9.753 1.00 35.43 N ATOM 503 CA SER A 90 5.826 -18.939 -9.703 1.00 53.04 C ATOM 504 C SER A 90 6.934 -18.933 -8.655 1.00 44.33 C ATOM 505 O SER A 90 7.736 -19.863 -8.579 1.00 4.22 O ATOM 506 CB SER A 90 6.407 -19.287 -11.075 1.00 60.10 C ATOM 507 OG SER A 90 6.248 -20.666 -11.362 1.00 15.35 O ATOM 0 H SER A 90 5.476 -17.029 -10.497 1.00 35.43 H new ATOM 0 HA SER A 90 5.092 -19.695 -9.425 1.00 53.04 H new ATOM 0 HB2 SER A 90 5.913 -18.693 -11.844 1.00 60.10 H new ATOM 0 HB3 SER A 90 7.465 -19.026 -11.102 1.00 60.10 H new ATOM 0 HG SER A 90 6.626 -20.862 -12.245 1.00 15.35 H new ATOM 513 N ALA A 91 6.972 -17.876 -7.850 1.00 22.55 N ATOM 514 CA ALA A 91 7.980 -17.749 -6.804 1.00 42.34 C ATOM 515 C ALA A 91 7.386 -17.138 -5.540 1.00 13.10 C ATOM 516 O ALA A 91 7.491 -15.936 -5.293 1.00 63.41 O ATOM 517 CB ALA A 91 9.149 -16.910 -7.299 1.00 5.23 C ATOM 0 H ALA A 91 6.317 -17.096 -7.902 1.00 22.55 H new ATOM 0 HA ALA A 91 8.341 -18.748 -6.558 1.00 42.34 H new ATOM 0 HB1 ALA A 91 9.895 -16.823 -6.509 1.00 5.23 H new ATOM 0 HB2 ALA A 91 9.597 -17.389 -8.170 1.00 5.23 H new ATOM 0 HB3 ALA A 91 8.794 -15.917 -7.574 1.00 5.23 H new ATOM 523 N PRO A 92 6.744 -17.983 -4.719 1.00 3.31 N ATOM 524 CA PRO A 92 6.120 -17.548 -3.466 1.00 10.30 C ATOM 525 C PRO A 92 7.149 -17.150 -2.413 1.00 32.40 C ATOM 526 O PRO A 92 7.931 -17.980 -1.951 1.00 62.04 O ATOM 527 CB PRO A 92 5.339 -18.783 -3.011 1.00 62.32 C ATOM 528 CG PRO A 92 6.051 -19.933 -3.636 1.00 45.21 C ATOM 529 CD PRO A 92 6.580 -19.428 -4.950 1.00 52.42 C ATOM 0 HA PRO A 92 5.500 -16.662 -3.606 1.00 10.30 H new ATOM 0 HB2 PRO A 92 5.329 -18.867 -1.924 1.00 62.32 H new ATOM 0 HB3 PRO A 92 4.300 -18.736 -3.337 1.00 62.32 H new ATOM 0 HG2 PRO A 92 6.862 -20.283 -2.998 1.00 45.21 H new ATOM 0 HG3 PRO A 92 5.376 -20.776 -3.785 1.00 45.21 H new ATOM 0 HD2 PRO A 92 7.526 -19.903 -5.212 1.00 52.42 H new ATOM 0 HD3 PRO A 92 5.886 -19.628 -5.766 1.00 52.42 H new ATOM 537 N GLY A 93 7.142 -15.875 -2.037 1.00 32.14 N ATOM 538 CA GLY A 93 8.079 -15.390 -1.040 1.00 71.52 C ATOM 539 C GLY A 93 9.010 -14.327 -1.588 1.00 73.03 C ATOM 540 O GLY A 93 9.679 -13.627 -0.828 1.00 52.45 O ATOM 0 H GLY A 93 6.504 -15.169 -2.405 1.00 32.14 H new ATOM 0 HA2 GLY A 93 7.526 -14.983 -0.194 1.00 71.52 H new ATOM 0 HA3 GLY A 93 8.669 -16.226 -0.663 1.00 71.52 H new ATOM 544 N ASP A 94 9.054 -14.207 -2.911 1.00 3.35 N ATOM 545 CA ASP A 94 9.911 -13.221 -3.560 1.00 72.32 C ATOM 546 C ASP A 94 9.162 -11.911 -3.780 1.00 14.35 C ATOM 547 O ASP A 94 8.087 -11.891 -4.380 1.00 13.25 O ATOM 548 CB ASP A 94 10.422 -13.761 -4.897 1.00 1.21 C ATOM 549 CG ASP A 94 11.935 -13.832 -4.952 1.00 25.45 C ATOM 550 OD1 ASP A 94 12.546 -14.269 -3.953 1.00 14.11 O ATOM 551 OD2 ASP A 94 12.510 -13.453 -5.993 1.00 53.42 O ATOM 0 H ASP A 94 8.507 -14.779 -3.554 1.00 3.35 H new ATOM 0 HA ASP A 94 10.761 -13.027 -2.906 1.00 72.32 H new ATOM 0 HB2 ASP A 94 10.008 -14.755 -5.066 1.00 1.21 H new ATOM 0 HB3 ASP A 94 10.061 -13.124 -5.705 1.00 1.21 H new ATOM 556 N PHE A 95 9.736 -10.817 -3.289 1.00 31.55 N ATOM 557 CA PHE A 95 9.122 -9.502 -3.429 1.00 33.41 C ATOM 558 C PHE A 95 9.847 -8.673 -4.485 1.00 73.41 C ATOM 559 O PHE A 95 11.058 -8.800 -4.666 1.00 32.24 O ATOM 560 CB PHE A 95 9.134 -8.765 -2.089 1.00 12.45 C ATOM 561 CG PHE A 95 7.862 -8.924 -1.305 1.00 25.21 C ATOM 562 CD1 PHE A 95 6.634 -8.664 -1.891 1.00 64.23 C ATOM 563 CD2 PHE A 95 7.896 -9.334 0.018 1.00 14.24 C ATOM 564 CE1 PHE A 95 5.462 -8.810 -1.173 1.00 64.51 C ATOM 565 CE2 PHE A 95 6.727 -9.482 0.741 1.00 20.23 C ATOM 566 CZ PHE A 95 5.509 -9.219 0.145 1.00 21.03 C ATOM 0 H PHE A 95 10.626 -10.816 -2.790 1.00 31.55 H new ATOM 0 HA PHE A 95 8.090 -9.643 -3.749 1.00 33.41 H new ATOM 0 HB2 PHE A 95 9.968 -9.130 -1.490 1.00 12.45 H new ATOM 0 HB3 PHE A 95 9.311 -7.704 -2.268 1.00 12.45 H new ATOM 0 HD1 PHE A 95 6.592 -8.343 -2.921 1.00 64.23 H new ATOM 0 HD2 PHE A 95 8.846 -9.540 0.489 1.00 14.24 H new ATOM 0 HE1 PHE A 95 4.511 -8.605 -1.642 1.00 64.51 H new ATOM 0 HE2 PHE A 95 6.766 -9.803 1.771 1.00 20.23 H new ATOM 0 HZ PHE A 95 4.595 -9.333 0.709 1.00 21.03 H new ATOM 576 N SER A 96 9.096 -7.825 -5.181 1.00 23.03 N ATOM 577 CA SER A 96 9.666 -6.978 -6.222 1.00 55.03 C ATOM 578 C SER A 96 9.034 -5.589 -6.199 1.00 33.42 C ATOM 579 O SER A 96 7.823 -5.443 -6.369 1.00 14.55 O ATOM 580 CB SER A 96 9.465 -7.619 -7.597 1.00 13.11 C ATOM 581 OG SER A 96 9.170 -6.640 -8.578 1.00 11.20 O ATOM 0 H SER A 96 8.092 -7.706 -5.043 1.00 23.03 H new ATOM 0 HA SER A 96 10.734 -6.876 -6.029 1.00 55.03 H new ATOM 0 HB2 SER A 96 10.364 -8.165 -7.882 1.00 13.11 H new ATOM 0 HB3 SER A 96 8.654 -8.345 -7.548 1.00 13.11 H new ATOM 0 HG SER A 96 9.968 -6.097 -8.749 1.00 11.20 H new ATOM 587 N LEU A 97 9.862 -4.573 -5.987 1.00 65.03 N ATOM 588 CA LEU A 97 9.387 -3.195 -5.941 1.00 53.33 C ATOM 589 C LEU A 97 9.398 -2.568 -7.332 1.00 21.01 C ATOM 590 O LEU A 97 10.349 -2.741 -8.094 1.00 5.43 O ATOM 591 CB LEU A 97 10.252 -2.367 -4.989 1.00 61.24 C ATOM 592 CG LEU A 97 9.919 -0.877 -4.903 1.00 33.42 C ATOM 593 CD1 LEU A 97 10.244 -0.181 -6.215 1.00 14.41 C ATOM 594 CD2 LEU A 97 8.454 -0.679 -4.540 1.00 3.23 C ATOM 0 H LEU A 97 10.867 -4.677 -5.844 1.00 65.03 H new ATOM 0 HA LEU A 97 8.361 -3.203 -5.574 1.00 53.33 H new ATOM 0 HB2 LEU A 97 10.170 -2.795 -3.990 1.00 61.24 H new ATOM 0 HB3 LEU A 97 11.293 -2.469 -5.295 1.00 61.24 H new ATOM 0 HG LEU A 97 10.531 -0.432 -4.119 1.00 33.42 H new ATOM 0 HD11 LEU A 97 10.000 0.878 -6.135 1.00 14.41 H new ATOM 0 HD12 LEU A 97 11.306 -0.294 -6.433 1.00 14.41 H new ATOM 0 HD13 LEU A 97 9.659 -0.628 -7.019 1.00 14.41 H new ATOM 0 HD21 LEU A 97 8.234 0.387 -4.483 1.00 3.23 H new ATOM 0 HD22 LEU A 97 7.825 -1.139 -5.302 1.00 3.23 H new ATOM 0 HD23 LEU A 97 8.252 -1.143 -3.575 1.00 3.23 H new ATOM 606 N SER A 98 8.335 -1.838 -7.655 1.00 63.12 N ATOM 607 CA SER A 98 8.222 -1.186 -8.955 1.00 21.52 C ATOM 608 C SER A 98 7.980 0.311 -8.792 1.00 44.13 C ATOM 609 O SER A 98 6.907 0.736 -8.363 1.00 64.34 O ATOM 610 CB SER A 98 7.086 -1.813 -9.766 1.00 2.11 C ATOM 611 OG SER A 98 7.513 -2.134 -11.078 1.00 44.44 O ATOM 0 H SER A 98 7.540 -1.683 -7.035 1.00 63.12 H new ATOM 0 HA SER A 98 9.162 -1.328 -9.489 1.00 21.52 H new ATOM 0 HB2 SER A 98 6.732 -2.714 -9.265 1.00 2.11 H new ATOM 0 HB3 SER A 98 6.244 -1.122 -9.813 1.00 2.11 H new ATOM 0 HG SER A 98 6.770 -2.535 -11.575 1.00 44.44 H new ATOM 617 N VAL A 99 8.987 1.108 -9.138 1.00 72.44 N ATOM 618 CA VAL A 99 8.885 2.558 -9.033 1.00 10.24 C ATOM 619 C VAL A 99 8.738 3.201 -10.407 1.00 61.54 C ATOM 620 O VAL A 99 9.419 2.819 -11.360 1.00 31.34 O ATOM 621 CB VAL A 99 10.116 3.157 -8.327 1.00 41.31 C ATOM 622 CG1 VAL A 99 10.623 4.377 -9.081 1.00 40.14 C ATOM 623 CG2 VAL A 99 9.783 3.512 -6.886 1.00 25.24 C ATOM 0 H VAL A 99 9.882 0.773 -9.493 1.00 72.44 H new ATOM 0 HA VAL A 99 7.995 2.770 -8.440 1.00 10.24 H new ATOM 0 HB VAL A 99 10.909 2.409 -8.319 1.00 41.31 H new ATOM 0 HG11 VAL A 99 11.493 4.787 -8.567 1.00 40.14 H new ATOM 0 HG12 VAL A 99 10.902 4.088 -10.094 1.00 40.14 H new ATOM 0 HG13 VAL A 99 9.837 5.132 -9.122 1.00 40.14 H new ATOM 0 HG21 VAL A 99 10.664 3.934 -6.402 1.00 25.24 H new ATOM 0 HG22 VAL A 99 8.975 4.243 -6.869 1.00 25.24 H new ATOM 0 HG23 VAL A 99 9.471 2.614 -6.353 1.00 25.24 H new ATOM 633 N LYS A 100 7.845 4.179 -10.505 1.00 12.34 N ATOM 634 CA LYS A 100 7.608 4.878 -11.762 1.00 62.24 C ATOM 635 C LYS A 100 8.580 6.042 -11.929 1.00 73.25 C ATOM 636 O LYS A 100 8.711 6.886 -11.043 1.00 31.11 O ATOM 637 CB LYS A 100 6.167 5.390 -11.822 1.00 62.31 C ATOM 638 CG LYS A 100 5.926 6.401 -12.930 1.00 22.42 C ATOM 639 CD LYS A 100 4.463 6.443 -13.337 1.00 11.51 C ATOM 640 CE LYS A 100 4.098 7.781 -13.963 1.00 74.53 C ATOM 641 NZ LYS A 100 4.306 7.778 -15.438 1.00 31.42 N ATOM 0 H LYS A 100 7.272 4.506 -9.727 1.00 12.34 H new ATOM 0 HA LYS A 100 7.770 4.172 -12.577 1.00 62.24 H new ATOM 0 HB2 LYS A 100 5.495 4.543 -11.962 1.00 62.31 H new ATOM 0 HB3 LYS A 100 5.912 5.845 -10.865 1.00 62.31 H new ATOM 0 HG2 LYS A 100 6.240 7.390 -12.596 1.00 22.42 H new ATOM 0 HG3 LYS A 100 6.538 6.147 -13.795 1.00 22.42 H new ATOM 0 HD2 LYS A 100 4.258 5.640 -14.045 1.00 11.51 H new ATOM 0 HD3 LYS A 100 3.836 6.265 -12.463 1.00 11.51 H new ATOM 0 HE2 LYS A 100 3.056 8.012 -13.744 1.00 74.53 H new ATOM 0 HE3 LYS A 100 4.701 8.569 -13.513 1.00 74.53 H new ATOM 0 HZ1 LYS A 100 3.698 8.500 -15.876 1.00 31.42 H new ATOM 0 HZ2 LYS A 100 5.302 7.990 -15.649 1.00 31.42 H new ATOM 0 HZ3 LYS A 100 4.063 6.842 -15.821 1.00 31.42 H new ATOM 655 N PHE A 101 9.258 6.082 -13.072 1.00 35.42 N ATOM 656 CA PHE A 101 10.217 7.143 -13.355 1.00 72.20 C ATOM 657 C PHE A 101 9.979 7.735 -14.741 1.00 11.21 C ATOM 658 O PHE A 101 10.305 7.120 -15.755 1.00 50.33 O ATOM 659 CB PHE A 101 11.646 6.607 -13.256 1.00 25.14 C ATOM 660 CG PHE A 101 12.172 6.558 -11.849 1.00 72.23 C ATOM 661 CD1 PHE A 101 12.074 7.663 -11.020 1.00 52.41 C ATOM 662 CD2 PHE A 101 12.764 5.406 -11.357 1.00 2.11 C ATOM 663 CE1 PHE A 101 12.556 7.621 -9.725 1.00 52.53 C ATOM 664 CE2 PHE A 101 13.248 5.358 -10.063 1.00 54.10 C ATOM 665 CZ PHE A 101 13.144 6.467 -9.247 1.00 5.54 C ATOM 0 H PHE A 101 9.161 5.392 -13.817 1.00 35.42 H new ATOM 0 HA PHE A 101 10.079 7.930 -12.614 1.00 72.20 H new ATOM 0 HB2 PHE A 101 11.680 5.605 -13.683 1.00 25.14 H new ATOM 0 HB3 PHE A 101 12.303 7.233 -13.859 1.00 25.14 H new ATOM 0 HD1 PHE A 101 11.616 8.568 -11.390 1.00 52.41 H new ATOM 0 HD2 PHE A 101 12.848 4.536 -11.991 1.00 2.11 H new ATOM 0 HE1 PHE A 101 12.473 8.489 -9.088 1.00 52.53 H new ATOM 0 HE2 PHE A 101 13.707 4.454 -9.691 1.00 54.10 H new ATOM 0 HZ PHE A 101 13.522 6.432 -8.236 1.00 5.54 H new ATOM 675 N GLY A 102 9.407 8.935 -14.775 1.00 50.21 N ATOM 676 CA GLY A 102 9.134 9.591 -16.040 1.00 40.15 C ATOM 677 C GLY A 102 8.344 8.713 -16.990 1.00 65.45 C ATOM 678 O GLY A 102 7.202 8.353 -16.709 1.00 41.03 O ATOM 0 H GLY A 102 9.128 9.464 -13.949 1.00 50.21 H new ATOM 0 HA2 GLY A 102 8.581 10.512 -15.856 1.00 40.15 H new ATOM 0 HA3 GLY A 102 10.076 9.874 -16.510 1.00 40.15 H new ATOM 682 N ASN A 103 8.954 8.367 -18.120 1.00 3.42 N ATOM 683 CA ASN A 103 8.300 7.527 -19.116 1.00 53.21 C ATOM 684 C ASN A 103 8.829 6.098 -19.055 1.00 20.33 C ATOM 685 O ASN A 103 8.691 5.332 -20.009 1.00 11.11 O ATOM 686 CB ASN A 103 8.513 8.102 -20.518 1.00 13.11 C ATOM 687 CG ASN A 103 7.261 8.754 -21.072 1.00 35.11 C ATOM 688 OD1 ASN A 103 6.720 9.689 -20.481 1.00 23.35 O ATOM 689 ND2 ASN A 103 6.793 8.261 -22.213 1.00 52.51 N ATOM 0 H ASN A 103 9.900 8.656 -18.368 1.00 3.42 H new ATOM 0 HA ASN A 103 7.233 7.510 -18.896 1.00 53.21 H new ATOM 0 HB2 ASN A 103 9.319 8.836 -20.488 1.00 13.11 H new ATOM 0 HB3 ASN A 103 8.832 7.305 -21.190 1.00 13.11 H new ATOM 0 HD21 ASN A 103 5.953 8.658 -22.634 1.00 52.51 H new ATOM 0 HD22 ASN A 103 7.274 7.485 -22.669 1.00 52.51 H new ATOM 696 N ASP A 104 9.435 5.745 -17.926 1.00 54.01 N ATOM 697 CA ASP A 104 9.983 4.407 -17.739 1.00 25.02 C ATOM 698 C ASP A 104 9.807 3.945 -16.296 1.00 23.52 C ATOM 699 O ASP A 104 10.210 4.634 -15.358 1.00 71.44 O ATOM 700 CB ASP A 104 11.465 4.383 -18.118 1.00 30.41 C ATOM 701 CG ASP A 104 11.721 4.972 -19.491 1.00 71.22 C ATOM 702 OD1 ASP A 104 11.815 6.213 -19.597 1.00 34.23 O ATOM 703 OD2 ASP A 104 11.828 4.192 -20.460 1.00 64.22 O ATOM 0 H ASP A 104 9.559 6.367 -17.127 1.00 54.01 H new ATOM 0 HA ASP A 104 9.438 3.723 -18.390 1.00 25.02 H new ATOM 0 HB2 ASP A 104 12.036 4.940 -17.375 1.00 30.41 H new ATOM 0 HB3 ASP A 104 11.827 3.355 -18.094 1.00 30.41 H new ATOM 708 N VAL A 105 9.202 2.774 -16.125 1.00 31.54 N ATOM 709 CA VAL A 105 8.972 2.219 -14.796 1.00 61.41 C ATOM 710 C VAL A 105 10.073 1.236 -14.413 1.00 73.31 C ATOM 711 O VAL A 105 10.198 0.167 -15.010 1.00 62.20 O ATOM 712 CB VAL A 105 7.610 1.505 -14.714 1.00 32.40 C ATOM 713 CG1 VAL A 105 7.290 1.127 -13.276 1.00 25.04 C ATOM 714 CG2 VAL A 105 6.513 2.381 -15.300 1.00 2.12 C ATOM 0 H VAL A 105 8.862 2.191 -16.890 1.00 31.54 H new ATOM 0 HA VAL A 105 8.977 3.056 -14.098 1.00 61.41 H new ATOM 0 HB VAL A 105 7.665 0.589 -15.302 1.00 32.40 H new ATOM 0 HG11 VAL A 105 6.324 0.624 -13.238 1.00 25.04 H new ATOM 0 HG12 VAL A 105 8.062 0.459 -12.895 1.00 25.04 H new ATOM 0 HG13 VAL A 105 7.254 2.027 -12.663 1.00 25.04 H new ATOM 0 HG21 VAL A 105 5.558 1.861 -15.234 1.00 2.12 H new ATOM 0 HG22 VAL A 105 6.457 3.316 -14.742 1.00 2.12 H new ATOM 0 HG23 VAL A 105 6.738 2.595 -16.345 1.00 2.12 H new ATOM 724 N GLN A 106 10.867 1.605 -13.414 1.00 0.23 N ATOM 725 CA GLN A 106 11.958 0.755 -12.951 1.00 52.22 C ATOM 726 C GLN A 106 11.480 -0.200 -11.862 1.00 52.52 C ATOM 727 O GLN A 106 10.342 -0.111 -11.400 1.00 74.14 O ATOM 728 CB GLN A 106 13.112 1.611 -12.425 1.00 75.04 C ATOM 729 CG GLN A 106 13.698 2.549 -13.468 1.00 71.22 C ATOM 730 CD GLN A 106 14.882 3.337 -12.944 1.00 53.41 C ATOM 731 OE1 GLN A 106 15.114 3.401 -11.737 1.00 5.14 O ATOM 732 NE2 GLN A 106 15.638 3.944 -13.852 1.00 20.23 N ATOM 0 H GLN A 106 10.776 2.487 -12.909 1.00 0.23 H new ATOM 0 HA GLN A 106 12.309 0.165 -13.797 1.00 52.22 H new ATOM 0 HB2 GLN A 106 12.760 2.198 -11.577 1.00 75.04 H new ATOM 0 HB3 GLN A 106 13.900 0.956 -12.054 1.00 75.04 H new ATOM 0 HG2 GLN A 106 14.008 1.970 -14.338 1.00 71.22 H new ATOM 0 HG3 GLN A 106 12.926 3.241 -13.804 1.00 71.22 H new ATOM 0 HE21 GLN A 106 15.409 3.864 -14.843 1.00 20.23 H new ATOM 0 HE22 GLN A 106 16.448 4.490 -13.559 1.00 20.23 H new ATOM 741 N HIS A 107 12.356 -1.113 -11.456 1.00 4.51 N ATOM 742 CA HIS A 107 12.024 -2.084 -10.420 1.00 74.33 C ATOM 743 C HIS A 107 13.281 -2.566 -9.703 1.00 1.11 C ATOM 744 O HIS A 107 14.397 -2.367 -10.184 1.00 30.52 O ATOM 745 CB HIS A 107 11.282 -3.275 -11.028 1.00 55.12 C ATOM 746 CG HIS A 107 11.014 -3.129 -12.494 1.00 54.44 C ATOM 747 ND1 HIS A 107 10.028 -2.475 -13.153 1.00 13.34 N flip ATOM 748 CD2 HIS A 107 11.811 -3.697 -13.466 1.00 44.24 C flip ATOM 749 CE1 HIS A 107 10.247 -2.657 -14.497 1.00 34.35 C flip ATOM 750 NE2 HIS A 107 11.329 -3.397 -14.659 1.00 12.01 N flip ATOM 0 H HIS A 107 13.301 -1.201 -11.829 1.00 4.51 H new ATOM 0 HA HIS A 107 11.377 -1.594 -9.692 1.00 74.33 H new ATOM 0 HB2 HIS A 107 11.867 -4.180 -10.862 1.00 55.12 H new ATOM 0 HB3 HIS A 107 10.335 -3.408 -10.505 1.00 55.12 H new ATOM 0 HD2 HIS A 107 12.692 -4.294 -13.281 1.00 44.24 H new ATOM 0 HE1 HIS A 107 9.634 -2.259 -15.292 1.00 34.35 H new ATOM 0 HE2 HIS A 107 11.725 -3.687 -15.553 1.00 12.01 H new ATOM 758 N PHE A 108 13.093 -3.199 -8.550 1.00 12.23 N ATOM 759 CA PHE A 108 14.212 -3.707 -7.765 1.00 71.10 C ATOM 760 C PHE A 108 13.898 -5.091 -7.203 1.00 43.32 C ATOM 761 O PHE A 108 12.879 -5.289 -6.541 1.00 41.34 O ATOM 762 CB PHE A 108 14.541 -2.743 -6.623 1.00 62.22 C ATOM 763 CG PHE A 108 14.857 -1.350 -7.087 1.00 54.10 C ATOM 764 CD1 PHE A 108 13.843 -0.489 -7.475 1.00 42.42 C ATOM 765 CD2 PHE A 108 16.167 -0.902 -7.135 1.00 51.33 C ATOM 766 CE1 PHE A 108 14.130 0.794 -7.902 1.00 50.42 C ATOM 767 CE2 PHE A 108 16.460 0.380 -7.561 1.00 13.10 C ATOM 768 CZ PHE A 108 15.440 1.229 -7.946 1.00 62.21 C ATOM 0 H PHE A 108 12.176 -3.373 -8.138 1.00 12.23 H new ATOM 0 HA PHE A 108 15.077 -3.789 -8.423 1.00 71.10 H new ATOM 0 HB2 PHE A 108 13.696 -2.705 -5.935 1.00 62.22 H new ATOM 0 HB3 PHE A 108 15.391 -3.132 -6.063 1.00 62.22 H new ATOM 0 HD1 PHE A 108 12.817 -0.824 -7.443 1.00 42.42 H new ATOM 0 HD2 PHE A 108 16.968 -1.562 -6.836 1.00 51.33 H new ATOM 0 HE1 PHE A 108 13.330 1.456 -8.201 1.00 50.42 H new ATOM 0 HE2 PHE A 108 17.485 0.718 -7.593 1.00 13.10 H new ATOM 0 HZ PHE A 108 15.667 2.231 -8.281 1.00 62.21 H new ATOM 778 N LYS A 109 14.782 -6.046 -7.472 1.00 74.03 N ATOM 779 CA LYS A 109 14.602 -7.412 -6.994 1.00 52.24 C ATOM 780 C LYS A 109 14.955 -7.521 -5.515 1.00 31.34 C ATOM 781 O LYS A 109 16.100 -7.301 -5.121 1.00 45.44 O ATOM 782 CB LYS A 109 15.466 -8.377 -7.809 1.00 3.12 C ATOM 783 CG LYS A 109 14.691 -9.144 -8.866 1.00 40.31 C ATOM 784 CD LYS A 109 14.565 -10.615 -8.508 1.00 13.13 C ATOM 785 CE LYS A 109 15.928 -11.275 -8.374 1.00 64.14 C ATOM 786 NZ LYS A 109 16.143 -12.320 -9.414 1.00 12.22 N ATOM 0 H LYS A 109 15.631 -5.899 -8.019 1.00 74.03 H new ATOM 0 HA LYS A 109 13.553 -7.680 -7.119 1.00 52.24 H new ATOM 0 HB2 LYS A 109 16.265 -7.815 -8.293 1.00 3.12 H new ATOM 0 HB3 LYS A 109 15.940 -9.087 -7.132 1.00 3.12 H new ATOM 0 HG2 LYS A 109 13.698 -8.709 -8.977 1.00 40.31 H new ATOM 0 HG3 LYS A 109 15.192 -9.045 -9.829 1.00 40.31 H new ATOM 0 HD2 LYS A 109 14.017 -10.717 -7.571 1.00 13.13 H new ATOM 0 HD3 LYS A 109 13.985 -11.129 -9.275 1.00 13.13 H new ATOM 0 HE2 LYS A 109 16.708 -10.518 -8.454 1.00 64.14 H new ATOM 0 HE3 LYS A 109 16.019 -11.723 -7.385 1.00 64.14 H new ATOM 0 HZ1 LYS A 109 17.083 -12.746 -9.289 1.00 12.22 H new ATOM 0 HZ2 LYS A 109 15.414 -13.056 -9.322 1.00 12.22 H new ATOM 0 HZ3 LYS A 109 16.082 -11.888 -10.358 1.00 12.22 H new ATOM 800 N VAL A 110 13.964 -7.865 -4.698 1.00 52.11 N ATOM 801 CA VAL A 110 14.171 -8.006 -3.262 1.00 33.52 C ATOM 802 C VAL A 110 14.558 -9.436 -2.901 1.00 20.14 C ATOM 803 O VAL A 110 13.991 -10.396 -3.425 1.00 0.14 O ATOM 804 CB VAL A 110 12.909 -7.613 -2.471 1.00 53.15 C ATOM 805 CG1 VAL A 110 13.122 -7.831 -0.981 1.00 40.13 C ATOM 806 CG2 VAL A 110 12.530 -6.168 -2.758 1.00 40.34 C ATOM 0 H VAL A 110 13.010 -8.051 -5.007 1.00 52.11 H new ATOM 0 HA VAL A 110 14.984 -7.332 -2.992 1.00 33.52 H new ATOM 0 HB VAL A 110 12.086 -8.252 -2.792 1.00 53.15 H new ATOM 0 HG11 VAL A 110 12.220 -7.548 -0.439 1.00 40.13 H new ATOM 0 HG12 VAL A 110 13.342 -8.882 -0.795 1.00 40.13 H new ATOM 0 HG13 VAL A 110 13.957 -7.219 -0.640 1.00 40.13 H new ATOM 0 HG21 VAL A 110 11.636 -5.907 -2.191 1.00 40.34 H new ATOM 0 HG22 VAL A 110 13.350 -5.512 -2.466 1.00 40.34 H new ATOM 0 HG23 VAL A 110 12.332 -6.049 -3.823 1.00 40.34 H new ATOM 816 N LEU A 111 15.527 -9.571 -2.002 1.00 32.51 N ATOM 817 CA LEU A 111 15.991 -10.885 -1.569 1.00 34.11 C ATOM 818 C LEU A 111 15.755 -11.080 -0.075 1.00 21.45 C ATOM 819 O LEU A 111 15.845 -10.133 0.707 1.00 30.50 O ATOM 820 CB LEU A 111 17.477 -11.054 -1.889 1.00 11.12 C ATOM 821 CG LEU A 111 17.809 -11.942 -3.089 1.00 15.51 C ATOM 822 CD1 LEU A 111 17.324 -11.298 -4.379 1.00 34.32 C ATOM 823 CD2 LEU A 111 19.305 -12.212 -3.155 1.00 54.22 C ATOM 0 H LEU A 111 16.006 -8.787 -1.559 1.00 32.51 H new ATOM 0 HA LEU A 111 15.421 -11.641 -2.110 1.00 34.11 H new ATOM 0 HB2 LEU A 111 17.905 -10.067 -2.064 1.00 11.12 H new ATOM 0 HB3 LEU A 111 17.973 -11.465 -1.010 1.00 11.12 H new ATOM 0 HG LEU A 111 17.294 -12.895 -2.966 1.00 15.51 H new ATOM 0 HD11 LEU A 111 17.569 -11.944 -5.222 1.00 34.32 H new ATOM 0 HD12 LEU A 111 16.244 -11.157 -4.332 1.00 34.32 H new ATOM 0 HD13 LEU A 111 17.811 -10.332 -4.509 1.00 34.32 H new ATOM 0 HD21 LEU A 111 19.523 -12.845 -4.015 1.00 54.22 H new ATOM 0 HD22 LEU A 111 19.841 -11.268 -3.254 1.00 54.22 H new ATOM 0 HD23 LEU A 111 19.624 -12.716 -2.243 1.00 54.22 H new ATOM 835 N ARG A 112 15.455 -12.315 0.316 1.00 64.04 N ATOM 836 CA ARG A 112 15.208 -12.635 1.716 1.00 2.23 C ATOM 837 C ARG A 112 15.890 -13.944 2.104 1.00 50.23 C ATOM 838 O ARG A 112 16.051 -14.840 1.275 1.00 33.44 O ATOM 839 CB ARG A 112 13.705 -12.732 1.982 1.00 73.54 C ATOM 840 CG ARG A 112 12.910 -11.567 1.416 1.00 14.03 C ATOM 841 CD ARG A 112 11.748 -12.048 0.561 1.00 14.14 C ATOM 842 NE ARG A 112 10.459 -11.810 1.206 1.00 53.45 N ATOM 843 CZ ARG A 112 9.988 -12.550 2.203 1.00 53.30 C ATOM 844 NH1 ARG A 112 10.696 -13.569 2.668 1.00 22.23 N ATOM 845 NH2 ARG A 112 8.806 -12.270 2.737 1.00 32.15 N ATOM 0 H ARG A 112 15.377 -13.110 -0.318 1.00 64.04 H new ATOM 0 HA ARG A 112 15.627 -11.833 2.325 1.00 2.23 H new ATOM 0 HB2 ARG A 112 13.328 -13.661 1.553 1.00 73.54 H new ATOM 0 HB3 ARG A 112 13.538 -12.787 3.058 1.00 73.54 H new ATOM 0 HG2 ARG A 112 12.532 -10.952 2.233 1.00 14.03 H new ATOM 0 HG3 ARG A 112 13.566 -10.934 0.818 1.00 14.03 H new ATOM 0 HD2 ARG A 112 11.771 -11.538 -0.402 1.00 14.14 H new ATOM 0 HD3 ARG A 112 11.862 -13.113 0.361 1.00 14.14 H new ATOM 0 HE ARG A 112 9.889 -11.033 0.872 1.00 53.45 H new ATOM 0 HH11 ARG A 112 11.605 -13.787 2.260 1.00 22.23 H new ATOM 0 HH12 ARG A 112 10.332 -14.136 3.434 1.00 22.23 H new ATOM 0 HH21 ARG A 112 8.259 -11.486 2.382 1.00 32.15 H new ATOM 0 HH22 ARG A 112 8.445 -12.839 3.503 1.00 32.15 H new ATOM 859 N ASP A 113 16.289 -14.046 3.367 1.00 51.33 N ATOM 860 CA ASP A 113 16.953 -15.245 3.864 1.00 10.13 C ATOM 861 C ASP A 113 16.723 -15.411 5.363 1.00 3.23 C ATOM 862 O ASP A 113 16.206 -14.512 6.025 1.00 33.55 O ATOM 863 CB ASP A 113 18.452 -15.183 3.569 1.00 24.13 C ATOM 864 CG ASP A 113 18.747 -15.087 2.085 1.00 10.22 C ATOM 865 OD1 ASP A 113 18.770 -13.955 1.557 1.00 62.33 O ATOM 866 OD2 ASP A 113 18.955 -16.143 1.452 1.00 2.14 O ATOM 0 H ASP A 113 16.164 -13.313 4.065 1.00 51.33 H new ATOM 0 HA ASP A 113 16.525 -16.107 3.351 1.00 10.13 H new ATOM 0 HB2 ASP A 113 18.884 -14.322 4.079 1.00 24.13 H new ATOM 0 HB3 ASP A 113 18.936 -16.071 3.976 1.00 24.13 H new ATOM 871 N GLY A 114 17.112 -16.567 5.892 1.00 35.41 N ATOM 872 CA GLY A 114 16.939 -16.831 7.309 1.00 55.43 C ATOM 873 C GLY A 114 15.504 -17.166 7.665 1.00 31.01 C ATOM 874 O GLY A 114 15.190 -18.310 7.992 1.00 32.03 O ATOM 0 H GLY A 114 17.544 -17.326 5.365 1.00 35.41 H new ATOM 0 HA2 GLY A 114 17.586 -17.658 7.603 1.00 55.43 H new ATOM 0 HA3 GLY A 114 17.258 -15.959 7.880 1.00 55.43 H new ATOM 878 N ALA A 115 14.631 -16.166 7.603 1.00 1.34 N ATOM 879 CA ALA A 115 13.222 -16.360 7.922 1.00 62.50 C ATOM 880 C ALA A 115 12.376 -15.204 7.399 1.00 23.34 C ATOM 881 O ALA A 115 11.474 -15.400 6.586 1.00 21.33 O ATOM 882 CB ALA A 115 13.037 -16.515 9.424 1.00 23.43 C ATOM 0 H ALA A 115 14.875 -15.213 7.335 1.00 1.34 H new ATOM 0 HA ALA A 115 12.886 -17.273 7.430 1.00 62.50 H new ATOM 0 HB1 ALA A 115 11.980 -16.659 9.647 1.00 23.43 H new ATOM 0 HB2 ALA A 115 13.603 -17.379 9.773 1.00 23.43 H new ATOM 0 HB3 ALA A 115 13.396 -15.618 9.929 1.00 23.43 H new ATOM 888 N GLY A 116 12.674 -13.998 7.873 1.00 53.11 N ATOM 889 CA GLY A 116 11.930 -12.828 7.443 1.00 65.14 C ATOM 890 C GLY A 116 12.802 -11.592 7.341 1.00 63.31 C ATOM 891 O GLY A 116 12.373 -10.490 7.682 1.00 53.01 O ATOM 0 H GLY A 116 13.417 -13.810 8.547 1.00 53.11 H new ATOM 0 HA2 GLY A 116 11.473 -13.028 6.474 1.00 65.14 H new ATOM 0 HA3 GLY A 116 11.118 -12.639 8.145 1.00 65.14 H new ATOM 895 N LYS A 117 14.032 -11.775 6.872 1.00 40.31 N ATOM 896 CA LYS A 117 14.968 -10.666 6.726 1.00 21.32 C ATOM 897 C LYS A 117 15.097 -10.252 5.264 1.00 64.01 C ATOM 898 O LYS A 117 15.556 -11.029 4.427 1.00 63.53 O ATOM 899 CB LYS A 117 16.341 -11.055 7.281 1.00 54.25 C ATOM 900 CG LYS A 117 16.367 -11.203 8.792 1.00 14.50 C ATOM 901 CD LYS A 117 17.471 -10.365 9.415 1.00 33.03 C ATOM 902 CE LYS A 117 18.839 -10.988 9.186 1.00 44.50 C ATOM 903 NZ LYS A 117 19.064 -12.171 10.061 1.00 21.14 N ATOM 0 H LYS A 117 14.404 -12.681 6.587 1.00 40.31 H new ATOM 0 HA LYS A 117 14.581 -9.819 7.292 1.00 21.32 H new ATOM 0 HB2 LYS A 117 16.654 -11.995 6.827 1.00 54.25 H new ATOM 0 HB3 LYS A 117 17.070 -10.300 6.986 1.00 54.25 H new ATOM 0 HG2 LYS A 117 15.404 -10.903 9.205 1.00 14.50 H new ATOM 0 HG3 LYS A 117 16.513 -12.251 9.053 1.00 14.50 H new ATOM 0 HD2 LYS A 117 17.451 -9.361 8.990 1.00 33.03 H new ATOM 0 HD3 LYS A 117 17.291 -10.262 10.485 1.00 33.03 H new ATOM 0 HE2 LYS A 117 18.932 -11.286 8.142 1.00 44.50 H new ATOM 0 HE3 LYS A 117 19.613 -10.244 9.375 1.00 44.50 H new ATOM 0 HZ1 LYS A 117 20.052 -12.484 9.974 1.00 21.14 H new ATOM 0 HZ2 LYS A 117 18.868 -11.914 11.049 1.00 21.14 H new ATOM 0 HZ3 LYS A 117 18.430 -12.943 9.772 1.00 21.14 H new ATOM 917 N TYR A 118 14.692 -9.023 4.964 1.00 74.30 N ATOM 918 CA TYR A 118 14.761 -8.506 3.602 1.00 25.44 C ATOM 919 C TYR A 118 16.018 -7.664 3.403 1.00 31.31 C ATOM 920 O TYR A 118 16.599 -7.158 4.363 1.00 22.33 O ATOM 921 CB TYR A 118 13.519 -7.671 3.287 1.00 22.51 C ATOM 922 CG TYR A 118 12.229 -8.302 3.762 1.00 44.03 C ATOM 923 CD1 TYR A 118 11.829 -8.199 5.088 1.00 3.52 C ATOM 924 CD2 TYR A 118 11.410 -9.000 2.883 1.00 24.40 C ATOM 925 CE1 TYR A 118 10.652 -8.774 5.526 1.00 2.31 C ATOM 926 CE2 TYR A 118 10.231 -9.578 3.312 1.00 53.42 C ATOM 927 CZ TYR A 118 9.856 -9.462 4.634 1.00 3.13 C ATOM 928 OH TYR A 118 8.682 -10.035 5.066 1.00 22.13 O ATOM 0 H TYR A 118 14.312 -8.366 5.646 1.00 74.30 H new ATOM 0 HA TYR A 118 14.802 -9.355 2.920 1.00 25.44 H new ATOM 0 HB2 TYR A 118 13.625 -6.689 3.748 1.00 22.51 H new ATOM 0 HB3 TYR A 118 13.461 -7.513 2.210 1.00 22.51 H new ATOM 0 HD1 TYR A 118 12.449 -7.660 5.789 1.00 3.52 H new ATOM 0 HD2 TYR A 118 11.700 -9.092 1.847 1.00 24.40 H new ATOM 0 HE1 TYR A 118 10.357 -8.685 6.561 1.00 2.31 H new ATOM 0 HE2 TYR A 118 9.606 -10.118 2.616 1.00 53.42 H new ATOM 0 HH TYR A 118 8.128 -10.268 4.292 1.00 22.13 H new ATOM 938 N PHE A 119 16.431 -7.518 2.149 1.00 64.03 N ATOM 939 CA PHE A 119 17.619 -6.738 1.821 1.00 10.32 C ATOM 940 C PHE A 119 17.684 -6.449 0.324 1.00 25.22 C ATOM 941 O PHE A 119 17.118 -7.183 -0.487 1.00 22.54 O ATOM 942 CB PHE A 119 18.881 -7.480 2.265 1.00 62.24 C ATOM 943 CG PHE A 119 18.655 -8.941 2.532 1.00 50.15 C ATOM 944 CD1 PHE A 119 18.270 -9.794 1.510 1.00 50.22 C ATOM 945 CD2 PHE A 119 18.827 -9.461 3.804 1.00 13.23 C ATOM 946 CE1 PHE A 119 18.061 -11.139 1.752 1.00 42.41 C ATOM 947 CE2 PHE A 119 18.620 -10.805 4.052 1.00 11.43 C ATOM 948 CZ PHE A 119 18.236 -11.644 3.025 1.00 35.32 C ATOM 0 H PHE A 119 15.961 -7.929 1.343 1.00 64.03 H new ATOM 0 HA PHE A 119 17.558 -5.789 2.353 1.00 10.32 H new ATOM 0 HB2 PHE A 119 19.645 -7.374 1.495 1.00 62.24 H new ATOM 0 HB3 PHE A 119 19.271 -7.010 3.168 1.00 62.24 H new ATOM 0 HD1 PHE A 119 18.132 -9.403 0.513 1.00 50.22 H new ATOM 0 HD2 PHE A 119 19.126 -8.809 4.611 1.00 13.23 H new ATOM 0 HE1 PHE A 119 17.761 -11.793 0.947 1.00 42.41 H new ATOM 0 HE2 PHE A 119 18.759 -11.198 5.048 1.00 11.43 H new ATOM 0 HZ PHE A 119 18.073 -12.694 3.217 1.00 35.32 H new ATOM 958 N LEU A 120 18.378 -5.375 -0.035 1.00 65.12 N ATOM 959 CA LEU A 120 18.519 -4.988 -1.435 1.00 14.44 C ATOM 960 C LEU A 120 19.861 -4.306 -1.679 1.00 51.21 C ATOM 961 O LEU A 120 20.782 -4.907 -2.233 1.00 14.31 O ATOM 962 CB LEU A 120 17.378 -4.054 -1.842 1.00 54.04 C ATOM 963 CG LEU A 120 16.077 -4.732 -2.273 1.00 34.20 C ATOM 964 CD1 LEU A 120 14.898 -4.172 -1.492 1.00 4.52 C ATOM 965 CD2 LEU A 120 15.856 -4.562 -3.769 1.00 63.31 C ATOM 0 H LEU A 120 18.852 -4.757 0.623 1.00 65.12 H new ATOM 0 HA LEU A 120 18.476 -5.892 -2.043 1.00 14.44 H new ATOM 0 HB2 LEU A 120 17.159 -3.393 -1.003 1.00 54.04 H new ATOM 0 HB3 LEU A 120 17.725 -3.425 -2.661 1.00 54.04 H new ATOM 0 HG LEU A 120 16.157 -5.797 -2.056 1.00 34.20 H new ATOM 0 HD11 LEU A 120 13.981 -4.667 -1.813 1.00 4.52 H new ATOM 0 HD12 LEU A 120 15.051 -4.347 -0.427 1.00 4.52 H new ATOM 0 HD13 LEU A 120 14.816 -3.101 -1.676 1.00 4.52 H new ATOM 0 HD21 LEU A 120 14.925 -5.051 -4.057 1.00 63.31 H new ATOM 0 HD22 LEU A 120 15.798 -3.501 -4.010 1.00 63.31 H new ATOM 0 HD23 LEU A 120 16.686 -5.013 -4.313 1.00 63.31 H new ATOM 977 N TRP A 121 19.965 -3.050 -1.261 1.00 1.31 N ATOM 978 CA TRP A 121 21.196 -2.287 -1.433 1.00 3.33 C ATOM 979 C TRP A 121 22.041 -2.323 -0.164 1.00 32.32 C ATOM 980 O TRP A 121 21.798 -1.567 0.777 1.00 23.41 O ATOM 981 CB TRP A 121 20.875 -0.838 -1.805 1.00 22.31 C ATOM 982 CG TRP A 121 20.178 -0.705 -3.125 1.00 13.23 C ATOM 983 CD1 TRP A 121 18.836 -0.555 -3.331 1.00 50.11 C ATOM 984 CD2 TRP A 121 20.787 -0.711 -4.420 1.00 73.24 C ATOM 985 NE1 TRP A 121 18.574 -0.468 -4.677 1.00 43.22 N ATOM 986 CE2 TRP A 121 19.754 -0.560 -5.367 1.00 3.03 C ATOM 987 CE3 TRP A 121 22.104 -0.828 -4.873 1.00 54.32 C ATOM 988 CZ2 TRP A 121 20.000 -0.524 -6.737 1.00 21.03 C ATOM 989 CZ3 TRP A 121 22.346 -0.792 -6.233 1.00 72.12 C ATOM 990 CH2 TRP A 121 21.299 -0.640 -7.152 1.00 72.50 C ATOM 0 H TRP A 121 19.212 -2.538 -0.801 1.00 1.31 H new ATOM 0 HA TRP A 121 21.767 -2.744 -2.241 1.00 3.33 H new ATOM 0 HB2 TRP A 121 20.250 -0.400 -1.026 1.00 22.31 H new ATOM 0 HB3 TRP A 121 21.801 -0.263 -1.831 1.00 22.31 H new ATOM 0 HD1 TRP A 121 18.091 -0.511 -2.551 1.00 50.11 H new ATOM 0 HE1 TRP A 121 17.651 -0.353 -5.095 1.00 43.22 H new ATOM 0 HE3 TRP A 121 22.918 -0.944 -4.173 1.00 54.32 H new ATOM 0 HZ2 TRP A 121 19.194 -0.409 -7.447 1.00 21.03 H new ATOM 0 HZ3 TRP A 121 23.360 -0.883 -6.594 1.00 72.12 H new ATOM 0 HH2 TRP A 121 21.522 -0.614 -8.208 1.00 72.50 H new ATOM 1001 N VAL A 122 23.034 -3.207 -0.144 1.00 51.22 N ATOM 1002 CA VAL A 122 23.915 -3.340 1.009 1.00 25.54 C ATOM 1003 C VAL A 122 23.196 -2.958 2.298 1.00 2.10 C ATOM 1004 O VAL A 122 23.762 -2.287 3.162 1.00 55.03 O ATOM 1005 CB VAL A 122 25.174 -2.466 0.858 1.00 24.10 C ATOM 1006 CG1 VAL A 122 25.766 -2.618 -0.535 1.00 54.42 C ATOM 1007 CG2 VAL A 122 24.849 -1.010 1.153 1.00 44.53 C ATOM 0 H VAL A 122 23.248 -3.841 -0.914 1.00 51.22 H new ATOM 0 HA VAL A 122 24.213 -4.387 1.060 1.00 25.54 H new ATOM 0 HB VAL A 122 25.918 -2.802 1.581 1.00 24.10 H new ATOM 0 HG11 VAL A 122 26.655 -1.993 -0.623 1.00 54.42 H new ATOM 0 HG12 VAL A 122 26.037 -3.660 -0.703 1.00 54.42 H new ATOM 0 HG13 VAL A 122 25.031 -2.310 -1.278 1.00 54.42 H new ATOM 0 HG21 VAL A 122 25.750 -0.406 1.042 1.00 44.53 H new ATOM 0 HG22 VAL A 122 24.088 -0.659 0.456 1.00 44.53 H new ATOM 0 HG23 VAL A 122 24.476 -0.920 2.173 1.00 44.53 H new ATOM 1017 N VAL A 123 21.945 -3.390 2.422 1.00 40.45 N ATOM 1018 CA VAL A 123 21.148 -3.094 3.606 1.00 53.11 C ATOM 1019 C VAL A 123 20.071 -4.152 3.822 1.00 43.32 C ATOM 1020 O VAL A 123 19.605 -4.782 2.873 1.00 71.05 O ATOM 1021 CB VAL A 123 20.479 -1.710 3.501 1.00 31.52 C ATOM 1022 CG1 VAL A 123 19.341 -1.742 2.492 1.00 20.32 C ATOM 1023 CG2 VAL A 123 19.981 -1.255 4.865 1.00 72.44 C ATOM 0 H VAL A 123 21.462 -3.946 1.717 1.00 40.45 H new ATOM 0 HA VAL A 123 21.831 -3.096 4.456 1.00 53.11 H new ATOM 0 HB VAL A 123 21.221 -0.992 3.152 1.00 31.52 H new ATOM 0 HG11 VAL A 123 18.881 -0.756 2.431 1.00 20.32 H new ATOM 0 HG12 VAL A 123 19.730 -2.021 1.513 1.00 20.32 H new ATOM 0 HG13 VAL A 123 18.595 -2.472 2.808 1.00 20.32 H new ATOM 0 HG21 VAL A 123 19.511 -0.276 4.773 1.00 72.44 H new ATOM 0 HG22 VAL A 123 19.253 -1.972 5.244 1.00 72.44 H new ATOM 0 HG23 VAL A 123 20.821 -1.191 5.556 1.00 72.44 H new ATOM 1033 N LYS A 124 19.680 -4.342 5.077 1.00 14.42 N ATOM 1034 CA LYS A 124 18.656 -5.322 5.420 1.00 41.11 C ATOM 1035 C LYS A 124 17.606 -4.712 6.343 1.00 21.11 C ATOM 1036 O LYS A 124 17.773 -3.597 6.839 1.00 71.54 O ATOM 1037 CB LYS A 124 19.293 -6.542 6.090 1.00 51.34 C ATOM 1038 CG LYS A 124 19.770 -6.277 7.507 1.00 34.54 C ATOM 1039 CD LYS A 124 21.010 -7.090 7.839 1.00 1.11 C ATOM 1040 CE LYS A 124 21.785 -6.477 8.996 1.00 73.31 C ATOM 1041 NZ LYS A 124 23.039 -5.818 8.537 1.00 73.43 N ATOM 0 H LYS A 124 20.057 -3.830 5.875 1.00 14.42 H new ATOM 0 HA LYS A 124 18.165 -5.636 4.499 1.00 41.11 H new ATOM 0 HB2 LYS A 124 18.569 -7.357 6.106 1.00 51.34 H new ATOM 0 HB3 LYS A 124 20.138 -6.877 5.488 1.00 51.34 H new ATOM 0 HG2 LYS A 124 19.987 -5.216 7.626 1.00 34.54 H new ATOM 0 HG3 LYS A 124 18.975 -6.521 8.211 1.00 34.54 H new ATOM 0 HD2 LYS A 124 20.721 -8.110 8.093 1.00 1.11 H new ATOM 0 HD3 LYS A 124 21.653 -7.151 6.961 1.00 1.11 H new ATOM 0 HE2 LYS A 124 21.157 -5.747 9.507 1.00 73.31 H new ATOM 0 HE3 LYS A 124 22.027 -7.253 9.722 1.00 73.31 H new ATOM 0 HZ1 LYS A 124 23.538 -5.413 9.355 1.00 73.43 H new ATOM 0 HZ2 LYS A 124 23.650 -6.520 8.072 1.00 73.43 H new ATOM 0 HZ3 LYS A 124 22.807 -5.060 7.863 1.00 73.43 H new ATOM 1055 N PHE A 125 16.525 -5.450 6.571 1.00 21.54 N ATOM 1056 CA PHE A 125 15.448 -4.982 7.436 1.00 61.31 C ATOM 1057 C PHE A 125 14.647 -6.156 7.992 1.00 65.32 C ATOM 1058 O PHE A 125 14.861 -7.305 7.606 1.00 55.34 O ATOM 1059 CB PHE A 125 14.522 -4.038 6.667 1.00 42.42 C ATOM 1060 CG PHE A 125 15.201 -3.324 5.533 1.00 64.21 C ATOM 1061 CD1 PHE A 125 15.699 -4.032 4.451 1.00 50.14 C ATOM 1062 CD2 PHE A 125 15.342 -1.946 5.549 1.00 13.10 C ATOM 1063 CE1 PHE A 125 16.325 -3.378 3.406 1.00 1.24 C ATOM 1064 CE2 PHE A 125 15.967 -1.286 4.507 1.00 34.24 C ATOM 1065 CZ PHE A 125 16.458 -2.003 3.434 1.00 31.32 C ATOM 0 H PHE A 125 16.371 -6.375 6.169 1.00 21.54 H new ATOM 0 HA PHE A 125 15.895 -4.442 8.271 1.00 61.31 H new ATOM 0 HB2 PHE A 125 13.680 -4.608 6.275 1.00 42.42 H new ATOM 0 HB3 PHE A 125 14.113 -3.300 7.358 1.00 42.42 H new ATOM 0 HD1 PHE A 125 15.597 -5.107 4.424 1.00 50.14 H new ATOM 0 HD2 PHE A 125 14.959 -1.380 6.386 1.00 13.10 H new ATOM 0 HE1 PHE A 125 16.710 -3.941 2.569 1.00 1.24 H new ATOM 0 HE2 PHE A 125 16.071 -0.211 4.532 1.00 34.24 H new ATOM 0 HZ PHE A 125 16.945 -1.490 2.618 1.00 31.32 H new ATOM 1075 N ASN A 126 13.726 -5.858 8.902 1.00 72.22 N ATOM 1076 CA ASN A 126 12.893 -6.888 9.512 1.00 25.45 C ATOM 1077 C ASN A 126 11.545 -6.987 8.807 1.00 75.14 C ATOM 1078 O ASN A 126 10.972 -8.070 8.688 1.00 21.43 O ATOM 1079 CB ASN A 126 12.684 -6.589 10.998 1.00 34.33 C ATOM 1080 CG ASN A 126 13.956 -6.753 11.806 1.00 4.33 C ATOM 1081 OD1 ASN A 126 14.276 -7.849 12.266 1.00 4.14 O ATOM 1082 ND2 ASN A 126 14.689 -5.660 11.983 1.00 43.51 N ATOM 0 H ASN A 126 13.537 -4.912 9.233 1.00 72.22 H new ATOM 0 HA ASN A 126 13.407 -7.844 9.409 1.00 25.45 H new ATOM 0 HB2 ASN A 126 12.313 -5.570 11.112 1.00 34.33 H new ATOM 0 HB3 ASN A 126 11.917 -7.254 11.395 1.00 34.33 H new ATOM 0 HD21 ASN A 126 15.556 -5.708 12.518 1.00 43.51 H new ATOM 0 HD22 ASN A 126 14.385 -4.772 11.583 1.00 43.51 H new ATOM 1089 N SER A 127 11.043 -5.849 8.339 1.00 52.41 N ATOM 1090 CA SER A 127 9.760 -5.806 7.647 1.00 13.33 C ATOM 1091 C SER A 127 9.867 -5.007 6.352 1.00 2.41 C ATOM 1092 O SER A 127 10.871 -4.337 6.103 1.00 14.24 O ATOM 1093 CB SER A 127 8.689 -5.191 8.552 1.00 63.45 C ATOM 1094 OG SER A 127 9.054 -3.884 8.958 1.00 3.11 O ATOM 0 H SER A 127 11.505 -4.944 8.426 1.00 52.41 H new ATOM 0 HA SER A 127 9.474 -6.828 7.400 1.00 13.33 H new ATOM 0 HB2 SER A 127 7.737 -5.158 8.023 1.00 63.45 H new ATOM 0 HB3 SER A 127 8.545 -5.821 9.430 1.00 63.45 H new ATOM 0 HG SER A 127 8.353 -3.513 9.533 1.00 3.11 H new ATOM 1100 N LEU A 128 8.827 -5.082 5.530 1.00 74.21 N ATOM 1101 CA LEU A 128 8.802 -4.366 4.259 1.00 60.40 C ATOM 1102 C LEU A 128 8.451 -2.897 4.468 1.00 11.13 C ATOM 1103 O LEU A 128 9.081 -2.010 3.894 1.00 70.22 O ATOM 1104 CB LEU A 128 7.794 -5.013 3.307 1.00 45.45 C ATOM 1105 CG LEU A 128 8.269 -6.272 2.581 1.00 61.10 C ATOM 1106 CD1 LEU A 128 7.290 -6.657 1.483 1.00 53.20 C ATOM 1107 CD2 LEU A 128 9.663 -6.063 2.006 1.00 35.31 C ATOM 0 H LEU A 128 7.989 -5.632 5.720 1.00 74.21 H new ATOM 0 HA LEU A 128 9.797 -4.423 3.818 1.00 60.40 H new ATOM 0 HB2 LEU A 128 6.897 -5.261 3.874 1.00 45.45 H new ATOM 0 HB3 LEU A 128 7.504 -4.274 2.560 1.00 45.45 H new ATOM 0 HG LEU A 128 8.314 -7.088 3.302 1.00 61.10 H new ATOM 0 HD11 LEU A 128 7.645 -7.555 0.978 1.00 53.20 H new ATOM 0 HD12 LEU A 128 6.310 -6.850 1.920 1.00 53.20 H new ATOM 0 HD13 LEU A 128 7.212 -5.842 0.763 1.00 53.20 H new ATOM 0 HD21 LEU A 128 9.985 -6.969 1.493 1.00 35.31 H new ATOM 0 HD22 LEU A 128 9.644 -5.233 1.299 1.00 35.31 H new ATOM 0 HD23 LEU A 128 10.359 -5.837 2.813 1.00 35.31 H new ATOM 1119 N ASN A 129 7.442 -2.647 5.297 1.00 61.12 N ATOM 1120 CA ASN A 129 7.008 -1.285 5.584 1.00 42.43 C ATOM 1121 C ASN A 129 8.194 -0.405 5.968 1.00 64.35 C ATOM 1122 O ASN A 129 8.245 0.773 5.617 1.00 54.10 O ATOM 1123 CB ASN A 129 5.973 -1.284 6.710 1.00 14.51 C ATOM 1124 CG ASN A 129 6.058 -0.039 7.573 1.00 62.31 C ATOM 1125 OD1 ASN A 129 6.348 -0.117 8.767 1.00 72.11 O ATOM 1126 ND2 ASN A 129 5.805 1.117 6.970 1.00 25.23 N ATOM 0 H ASN A 129 6.910 -3.370 5.781 1.00 61.12 H new ATOM 0 HA ASN A 129 6.553 -0.878 4.681 1.00 42.43 H new ATOM 0 HB2 ASN A 129 4.974 -1.358 6.281 1.00 14.51 H new ATOM 0 HB3 ASN A 129 6.118 -2.166 7.334 1.00 14.51 H new ATOM 0 HD21 ASN A 129 5.847 1.988 7.499 1.00 25.23 H new ATOM 0 HD22 ASN A 129 5.569 1.134 5.978 1.00 25.23 H new ATOM 1133 N GLU A 130 9.147 -0.988 6.689 1.00 11.11 N ATOM 1134 CA GLU A 130 10.333 -0.257 7.120 1.00 14.34 C ATOM 1135 C GLU A 130 11.213 0.105 5.927 1.00 34.03 C ATOM 1136 O GLU A 130 11.971 1.074 5.972 1.00 2.41 O ATOM 1137 CB GLU A 130 11.133 -1.087 8.126 1.00 44.03 C ATOM 1138 CG GLU A 130 10.986 -0.612 9.561 1.00 22.25 C ATOM 1139 CD GLU A 130 11.594 0.758 9.788 1.00 2.30 C ATOM 1140 OE1 GLU A 130 12.662 1.038 9.205 1.00 25.22 O ATOM 1141 OE2 GLU A 130 11.001 1.552 10.549 1.00 74.45 O ATOM 0 H GLU A 130 9.121 -1.963 6.987 1.00 11.11 H new ATOM 0 HA GLU A 130 10.006 0.665 7.600 1.00 14.34 H new ATOM 0 HB2 GLU A 130 10.813 -2.127 8.062 1.00 44.03 H new ATOM 0 HB3 GLU A 130 12.187 -1.060 7.850 1.00 44.03 H new ATOM 0 HG2 GLU A 130 9.929 -0.584 9.824 1.00 22.25 H new ATOM 0 HG3 GLU A 130 11.461 -1.331 10.228 1.00 22.25 H new ATOM 1148 N LEU A 131 11.106 -0.681 4.862 1.00 43.03 N ATOM 1149 CA LEU A 131 11.892 -0.445 3.656 1.00 62.15 C ATOM 1150 C LEU A 131 11.292 0.687 2.827 1.00 23.43 C ATOM 1151 O LEU A 131 11.963 1.675 2.529 1.00 62.33 O ATOM 1152 CB LEU A 131 11.970 -1.721 2.816 1.00 74.32 C ATOM 1153 CG LEU A 131 13.151 -2.647 3.108 1.00 4.52 C ATOM 1154 CD1 LEU A 131 12.713 -3.814 3.979 1.00 52.22 C ATOM 1155 CD2 LEU A 131 13.769 -3.149 1.811 1.00 1.23 C ATOM 0 H LEU A 131 10.483 -1.487 4.809 1.00 43.03 H new ATOM 0 HA LEU A 131 12.898 -0.155 3.959 1.00 62.15 H new ATOM 0 HB2 LEU A 131 11.048 -2.284 2.961 1.00 74.32 H new ATOM 0 HB3 LEU A 131 12.008 -1.438 1.764 1.00 74.32 H new ATOM 0 HG LEU A 131 13.907 -2.079 3.651 1.00 4.52 H new ATOM 0 HD11 LEU A 131 13.567 -4.462 4.176 1.00 52.22 H new ATOM 0 HD12 LEU A 131 12.319 -3.436 4.922 1.00 52.22 H new ATOM 0 HD13 LEU A 131 11.938 -4.382 3.464 1.00 52.22 H new ATOM 0 HD21 LEU A 131 14.608 -3.807 2.038 1.00 1.23 H new ATOM 0 HD22 LEU A 131 13.021 -3.699 1.241 1.00 1.23 H new ATOM 0 HD23 LEU A 131 14.121 -2.301 1.224 1.00 1.23 H new ATOM 1167 N VAL A 132 10.023 0.536 2.461 1.00 44.43 N ATOM 1168 CA VAL A 132 9.331 1.547 1.670 1.00 44.11 C ATOM 1169 C VAL A 132 9.404 2.914 2.340 1.00 1.35 C ATOM 1170 O VAL A 132 9.509 3.941 1.670 1.00 42.33 O ATOM 1171 CB VAL A 132 7.853 1.173 1.450 1.00 5.14 C ATOM 1172 CG1 VAL A 132 7.740 -0.062 0.570 1.00 41.01 C ATOM 1173 CG2 VAL A 132 7.156 0.953 2.784 1.00 23.34 C ATOM 0 H VAL A 132 9.454 -0.276 2.699 1.00 44.43 H new ATOM 0 HA VAL A 132 9.834 1.592 0.704 1.00 44.11 H new ATOM 0 HB VAL A 132 7.359 1.999 0.939 1.00 5.14 H new ATOM 0 HG11 VAL A 132 6.689 -0.311 0.426 1.00 41.01 H new ATOM 0 HG12 VAL A 132 8.202 0.137 -0.397 1.00 41.01 H new ATOM 0 HG13 VAL A 132 8.248 -0.898 1.050 1.00 41.01 H new ATOM 0 HG21 VAL A 132 6.113 0.690 2.610 1.00 23.34 H new ATOM 0 HG22 VAL A 132 7.649 0.144 3.323 1.00 23.34 H new ATOM 0 HG23 VAL A 132 7.206 1.867 3.376 1.00 23.34 H new ATOM 1183 N ASP A 133 9.348 2.920 3.668 1.00 71.23 N ATOM 1184 CA ASP A 133 9.409 4.161 4.430 1.00 0.25 C ATOM 1185 C ASP A 133 10.803 4.777 4.355 1.00 13.13 C ATOM 1186 O ASP A 133 10.987 5.853 3.786 1.00 11.33 O ATOM 1187 CB ASP A 133 9.028 3.907 5.890 1.00 41.32 C ATOM 1188 CG ASP A 133 7.799 4.689 6.312 1.00 64.32 C ATOM 1189 OD1 ASP A 133 6.710 4.424 5.762 1.00 63.52 O ATOM 1190 OD2 ASP A 133 7.927 5.566 7.192 1.00 41.25 O ATOM 0 H ASP A 133 9.260 2.079 4.238 1.00 71.23 H new ATOM 0 HA ASP A 133 8.698 4.862 3.993 1.00 0.25 H new ATOM 0 HB2 ASP A 133 8.845 2.842 6.035 1.00 41.32 H new ATOM 0 HB3 ASP A 133 9.865 4.177 6.533 1.00 41.32 H new ATOM 1195 N TYR A 134 11.780 4.088 4.934 1.00 41.32 N ATOM 1196 CA TYR A 134 13.157 4.569 4.936 1.00 54.24 C ATOM 1197 C TYR A 134 13.589 4.990 3.534 1.00 34.41 C ATOM 1198 O TYR A 134 14.399 5.902 3.369 1.00 62.21 O ATOM 1199 CB TYR A 134 14.097 3.486 5.468 1.00 54.23 C ATOM 1200 CG TYR A 134 15.551 3.727 5.131 1.00 54.44 C ATOM 1201 CD1 TYR A 134 16.150 4.954 5.389 1.00 14.23 C ATOM 1202 CD2 TYR A 134 16.325 2.729 4.553 1.00 42.34 C ATOM 1203 CE1 TYR A 134 17.478 5.180 5.082 1.00 34.44 C ATOM 1204 CE2 TYR A 134 17.654 2.945 4.244 1.00 42.22 C ATOM 1205 CZ TYR A 134 18.226 4.172 4.510 1.00 32.13 C ATOM 1206 OH TYR A 134 19.549 4.391 4.203 1.00 50.42 O ATOM 0 H TYR A 134 11.644 3.195 5.408 1.00 41.32 H new ATOM 0 HA TYR A 134 13.210 5.440 5.590 1.00 54.24 H new ATOM 0 HB2 TYR A 134 13.989 3.423 6.551 1.00 54.23 H new ATOM 0 HB3 TYR A 134 13.794 2.521 5.061 1.00 54.23 H new ATOM 0 HD1 TYR A 134 15.567 5.745 5.837 1.00 14.23 H new ATOM 0 HD2 TYR A 134 15.880 1.768 4.342 1.00 42.34 H new ATOM 0 HE1 TYR A 134 17.928 6.140 5.289 1.00 34.44 H new ATOM 0 HE2 TYR A 134 18.242 2.157 3.797 1.00 42.22 H new ATOM 0 HH TYR A 134 19.932 3.580 3.808 1.00 50.42 H new ATOM 1216 N HIS A 135 13.040 4.318 2.526 1.00 25.35 N ATOM 1217 CA HIS A 135 13.367 4.621 1.138 1.00 42.33 C ATOM 1218 C HIS A 135 12.631 5.872 0.668 1.00 45.54 C ATOM 1219 O HIS A 135 13.103 6.585 -0.219 1.00 74.11 O ATOM 1220 CB HIS A 135 13.011 3.438 0.238 1.00 64.34 C ATOM 1221 CG HIS A 135 14.079 2.389 0.178 1.00 73.34 C ATOM 1222 ND1 HIS A 135 14.516 1.696 1.287 1.00 45.23 N ATOM 1223 CD2 HIS A 135 14.796 1.914 -0.868 1.00 13.03 C ATOM 1224 CE1 HIS A 135 15.458 0.842 0.927 1.00 52.25 C ATOM 1225 NE2 HIS A 135 15.646 0.954 -0.376 1.00 53.11 N ATOM 0 H HIS A 135 12.367 3.561 2.645 1.00 25.35 H new ATOM 0 HA HIS A 135 14.439 4.806 1.075 1.00 42.33 H new ATOM 0 HB2 HIS A 135 12.087 2.984 0.597 1.00 64.34 H new ATOM 0 HB3 HIS A 135 12.816 3.804 -0.770 1.00 64.34 H new ATOM 0 HD1 HIS A 135 14.167 1.823 2.237 1.00 45.23 H new ATOM 0 HD2 HIS A 135 14.715 2.231 -1.897 1.00 13.03 H new ATOM 0 HE1 HIS A 135 15.985 0.167 1.586 1.00 52.25 H new ATOM 1233 N ARG A 136 11.474 6.133 1.267 1.00 62.12 N ATOM 1234 CA ARG A 136 10.673 7.297 0.908 1.00 72.32 C ATOM 1235 C ARG A 136 11.303 8.578 1.445 1.00 24.14 C ATOM 1236 O ARG A 136 11.069 9.666 0.919 1.00 74.50 O ATOM 1237 CB ARG A 136 9.250 7.150 1.450 1.00 71.51 C ATOM 1238 CG ARG A 136 9.101 7.588 2.898 1.00 43.04 C ATOM 1239 CD ARG A 136 8.218 8.820 3.019 1.00 45.34 C ATOM 1240 NE ARG A 136 8.996 10.056 2.981 1.00 54.22 N ATOM 1241 CZ ARG A 136 8.458 11.257 2.801 1.00 13.42 C ATOM 1242 NH1 ARG A 136 7.147 11.384 2.644 1.00 22.24 N ATOM 1243 NH2 ARG A 136 9.231 12.335 2.779 1.00 40.51 N ATOM 0 H ARG A 136 11.070 5.554 2.003 1.00 62.12 H new ATOM 0 HA ARG A 136 10.636 7.359 -0.180 1.00 72.32 H new ATOM 0 HB2 ARG A 136 8.572 7.737 0.830 1.00 71.51 H new ATOM 0 HB3 ARG A 136 8.942 6.108 1.361 1.00 71.51 H new ATOM 0 HG2 ARG A 136 8.674 6.774 3.483 1.00 43.04 H new ATOM 0 HG3 ARG A 136 10.084 7.801 3.318 1.00 43.04 H new ATOM 0 HD2 ARG A 136 7.489 8.825 2.208 1.00 45.34 H new ATOM 0 HD3 ARG A 136 7.656 8.773 3.952 1.00 45.34 H new ATOM 0 HE ARG A 136 10.007 9.993 3.099 1.00 54.22 H new ATOM 0 HH11 ARG A 136 6.549 10.558 2.661 1.00 22.24 H new ATOM 0 HH12 ARG A 136 6.737 12.308 2.506 1.00 22.24 H new ATOM 0 HH21 ARG A 136 10.239 12.242 2.900 1.00 40.51 H new ATOM 0 HH22 ARG A 136 8.817 13.257 2.641 1.00 40.51 H new ATOM 1257 N SER A 137 12.105 8.441 2.497 1.00 35.12 N ATOM 1258 CA SER A 137 12.766 9.588 3.109 1.00 34.41 C ATOM 1259 C SER A 137 14.171 9.769 2.545 1.00 44.12 C ATOM 1260 O SER A 137 14.708 10.877 2.527 1.00 44.33 O ATOM 1261 CB SER A 137 12.832 9.414 4.628 1.00 52.53 C ATOM 1262 OG SER A 137 13.600 8.277 4.978 1.00 22.52 O ATOM 0 H SER A 137 12.312 7.547 2.943 1.00 35.12 H new ATOM 0 HA SER A 137 12.183 10.479 2.877 1.00 34.41 H new ATOM 0 HB2 SER A 137 13.268 10.305 5.081 1.00 52.53 H new ATOM 0 HB3 SER A 137 11.824 9.313 5.030 1.00 52.53 H new ATOM 0 HG SER A 137 13.739 7.719 4.184 1.00 22.52 H new ATOM 1268 N THR A 138 14.764 8.672 2.084 1.00 74.31 N ATOM 1269 CA THR A 138 16.107 8.708 1.520 1.00 71.51 C ATOM 1270 C THR A 138 16.080 8.444 0.019 1.00 62.03 C ATOM 1271 O THR A 138 15.173 7.785 -0.489 1.00 63.43 O ATOM 1272 CB THR A 138 17.027 7.673 2.195 1.00 45.31 C ATOM 1273 OG1 THR A 138 18.389 8.113 2.130 1.00 33.11 O ATOM 1274 CG2 THR A 138 16.896 6.314 1.526 1.00 60.55 C ATOM 0 H THR A 138 14.334 7.747 2.090 1.00 74.31 H new ATOM 0 HA THR A 138 16.500 9.708 1.703 1.00 71.51 H new ATOM 0 HB THR A 138 16.725 7.577 3.238 1.00 45.31 H new ATOM 0 HG1 THR A 138 18.968 7.451 2.563 1.00 33.11 H new ATOM 0 HG21 THR A 138 17.555 5.600 2.020 1.00 60.55 H new ATOM 0 HG22 THR A 138 15.865 5.969 1.602 1.00 60.55 H new ATOM 0 HG23 THR A 138 17.174 6.397 0.475 1.00 60.55 H new ATOM 1282 N SER A 139 17.080 8.963 -0.686 1.00 65.45 N ATOM 1283 CA SER A 139 17.170 8.785 -2.131 1.00 54.51 C ATOM 1284 C SER A 139 16.899 7.335 -2.518 1.00 62.33 C ATOM 1285 O SER A 139 17.016 6.428 -1.694 1.00 31.10 O ATOM 1286 CB SER A 139 18.551 9.211 -2.634 1.00 75.51 C ATOM 1287 OG SER A 139 19.570 8.410 -2.062 1.00 63.45 O ATOM 0 H SER A 139 17.839 9.510 -0.280 1.00 65.45 H new ATOM 0 HA SER A 139 16.412 9.414 -2.598 1.00 54.51 H new ATOM 0 HB2 SER A 139 18.587 9.130 -3.720 1.00 75.51 H new ATOM 0 HB3 SER A 139 18.725 10.258 -2.386 1.00 75.51 H new ATOM 0 HG SER A 139 20.443 8.700 -2.400 1.00 63.45 H new ATOM 1293 N VAL A 140 16.537 7.123 -3.780 1.00 13.23 N ATOM 1294 CA VAL A 140 16.250 5.783 -4.278 1.00 43.43 C ATOM 1295 C VAL A 140 16.795 5.594 -5.689 1.00 43.04 C ATOM 1296 O VAL A 140 17.251 4.509 -6.049 1.00 63.24 O ATOM 1297 CB VAL A 140 14.737 5.497 -4.282 1.00 12.43 C ATOM 1298 CG1 VAL A 140 14.212 5.383 -2.859 1.00 13.03 C ATOM 1299 CG2 VAL A 140 13.992 6.580 -5.048 1.00 42.11 C ATOM 0 H VAL A 140 16.436 7.862 -4.476 1.00 13.23 H new ATOM 0 HA VAL A 140 16.742 5.082 -3.603 1.00 43.43 H new ATOM 0 HB VAL A 140 14.566 4.545 -4.785 1.00 12.43 H new ATOM 0 HG11 VAL A 140 13.141 5.181 -2.881 1.00 13.03 H new ATOM 0 HG12 VAL A 140 14.724 4.569 -2.346 1.00 13.03 H new ATOM 0 HG13 VAL A 140 14.394 6.317 -2.328 1.00 13.03 H new ATOM 0 HG21 VAL A 140 12.924 6.362 -5.041 1.00 42.11 H new ATOM 0 HG22 VAL A 140 14.168 7.546 -4.576 1.00 42.11 H new ATOM 0 HG23 VAL A 140 14.349 6.609 -6.077 1.00 42.11 H new ATOM 1309 N SER A 141 16.745 6.658 -6.485 1.00 24.21 N ATOM 1310 CA SER A 141 17.231 6.608 -7.859 1.00 3.31 C ATOM 1311 C SER A 141 18.731 6.884 -7.915 1.00 52.11 C ATOM 1312 O SER A 141 19.283 7.554 -7.042 1.00 70.20 O ATOM 1313 CB SER A 141 16.482 7.623 -8.724 1.00 52.31 C ATOM 1314 OG SER A 141 16.210 8.810 -7.998 1.00 72.35 O ATOM 0 H SER A 141 16.373 7.565 -6.202 1.00 24.21 H new ATOM 0 HA SER A 141 17.049 5.606 -8.247 1.00 3.31 H new ATOM 0 HB2 SER A 141 17.075 7.861 -9.607 1.00 52.31 H new ATOM 0 HB3 SER A 141 15.548 7.186 -9.076 1.00 52.31 H new ATOM 0 HG SER A 141 17.042 9.310 -7.865 1.00 72.35 H new ATOM 1320 N ARG A 142 19.384 6.363 -8.949 1.00 34.44 N ATOM 1321 CA ARG A 142 20.819 6.551 -9.119 1.00 62.23 C ATOM 1322 C ARG A 142 21.106 7.657 -10.130 1.00 1.40 C ATOM 1323 O ARG A 142 22.249 7.855 -10.541 1.00 75.22 O ATOM 1324 CB ARG A 142 21.475 5.246 -9.575 1.00 45.42 C ATOM 1325 CG ARG A 142 21.154 4.058 -8.683 1.00 54.53 C ATOM 1326 CD ARG A 142 22.345 3.670 -7.821 1.00 54.40 C ATOM 1327 NE ARG A 142 22.393 4.436 -6.578 1.00 71.41 N ATOM 1328 CZ ARG A 142 21.491 4.322 -5.610 1.00 13.33 C ATOM 1329 NH1 ARG A 142 20.476 3.479 -5.740 1.00 11.10 N ATOM 1330 NH2 ARG A 142 21.603 5.053 -4.508 1.00 10.02 N ATOM 0 H ARG A 142 18.942 5.808 -9.681 1.00 34.44 H new ATOM 0 HA ARG A 142 21.239 6.844 -8.157 1.00 62.23 H new ATOM 0 HB2 ARG A 142 21.152 5.023 -10.592 1.00 45.42 H new ATOM 0 HB3 ARG A 142 22.556 5.384 -9.606 1.00 45.42 H new ATOM 0 HG2 ARG A 142 20.305 4.300 -8.044 1.00 54.53 H new ATOM 0 HG3 ARG A 142 20.857 3.209 -9.299 1.00 54.53 H new ATOM 0 HD2 ARG A 142 22.294 2.606 -7.590 1.00 54.40 H new ATOM 0 HD3 ARG A 142 23.266 3.830 -8.382 1.00 54.40 H new ATOM 0 HE ARG A 142 23.161 5.094 -6.446 1.00 71.41 H new ATOM 0 HH11 ARG A 142 20.386 2.915 -6.585 1.00 11.10 H new ATOM 0 HH12 ARG A 142 19.785 3.394 -4.995 1.00 11.10 H new ATOM 0 HH21 ARG A 142 22.382 5.703 -4.404 1.00 10.02 H new ATOM 0 HH22 ARG A 142 20.910 4.965 -3.765 1.00 10.02 H new ATOM 1344 N ASN A 143 20.060 8.376 -10.526 1.00 63.30 N ATOM 1345 CA ASN A 143 20.200 9.462 -11.489 1.00 73.34 C ATOM 1346 C ASN A 143 19.811 10.798 -10.863 1.00 74.55 C ATOM 1347 O ASN A 143 20.443 11.821 -11.120 1.00 4.41 O ATOM 1348 CB ASN A 143 19.334 9.192 -12.722 1.00 43.01 C ATOM 1349 CG ASN A 143 19.908 9.817 -13.979 1.00 61.32 C ATOM 1350 OD1 ASN A 143 19.402 10.825 -14.472 1.00 15.05 O ATOM 1351 ND2 ASN A 143 20.971 9.219 -14.505 1.00 33.50 N ATOM 0 H ASN A 143 19.107 8.226 -10.195 1.00 63.30 H new ATOM 0 HA ASN A 143 21.246 9.514 -11.792 1.00 73.34 H new ATOM 0 HB2 ASN A 143 19.237 8.116 -12.866 1.00 43.01 H new ATOM 0 HB3 ASN A 143 18.331 9.582 -12.551 1.00 43.01 H new ATOM 0 HD21 ASN A 143 21.400 9.594 -15.351 1.00 33.50 H new ATOM 0 HD22 ASN A 143 21.358 8.385 -14.063 1.00 33.50 H new ATOM 1358 N GLN A 144 18.766 10.778 -10.042 1.00 22.24 N ATOM 1359 CA GLN A 144 18.293 11.988 -9.379 1.00 61.52 C ATOM 1360 C GLN A 144 18.020 11.728 -7.901 1.00 60.34 C ATOM 1361 O GLN A 144 18.301 10.644 -7.391 1.00 33.24 O ATOM 1362 CB GLN A 144 17.025 12.505 -10.061 1.00 3.00 C ATOM 1363 CG GLN A 144 17.298 13.493 -11.183 1.00 43.43 C ATOM 1364 CD GLN A 144 16.037 13.908 -11.915 1.00 1.40 C ATOM 1365 OE1 GLN A 144 15.017 14.211 -11.295 1.00 70.12 O ATOM 1366 NE2 GLN A 144 16.100 13.925 -13.241 1.00 42.23 N ATOM 0 H GLN A 144 18.231 9.938 -9.820 1.00 22.24 H new ATOM 0 HA GLN A 144 19.074 12.744 -9.457 1.00 61.52 H new ATOM 0 HB2 GLN A 144 16.467 11.659 -10.461 1.00 3.00 H new ATOM 0 HB3 GLN A 144 16.390 12.982 -9.315 1.00 3.00 H new ATOM 0 HG2 GLN A 144 17.783 14.378 -10.772 1.00 43.43 H new ATOM 0 HG3 GLN A 144 17.995 13.048 -11.892 1.00 43.43 H new ATOM 0 HE21 GLN A 144 16.966 13.666 -13.714 1.00 42.23 H new ATOM 0 HE22 GLN A 144 15.282 14.197 -13.787 1.00 42.23 H new ATOM 1375 N GLN A 145 17.472 12.729 -7.221 1.00 12.20 N ATOM 1376 CA GLN A 145 17.162 12.608 -5.801 1.00 42.33 C ATOM 1377 C GLN A 145 15.658 12.493 -5.580 1.00 74.51 C ATOM 1378 O GLN A 145 15.059 13.309 -4.878 1.00 62.54 O ATOM 1379 CB GLN A 145 17.711 13.812 -5.034 1.00 4.04 C ATOM 1380 CG GLN A 145 17.203 15.148 -5.552 1.00 63.41 C ATOM 1381 CD GLN A 145 17.944 16.326 -4.952 1.00 41.54 C ATOM 1382 OE1 GLN A 145 19.152 16.263 -4.720 1.00 74.41 O ATOM 1383 NE2 GLN A 145 17.223 17.412 -4.698 1.00 52.14 N ATOM 0 H GLN A 145 17.233 13.633 -7.630 1.00 12.20 H new ATOM 0 HA GLN A 145 17.636 11.700 -5.427 1.00 42.33 H new ATOM 0 HB2 GLN A 145 17.443 13.714 -3.982 1.00 4.04 H new ATOM 0 HB3 GLN A 145 18.800 13.801 -5.088 1.00 4.04 H new ATOM 0 HG2 GLN A 145 17.304 15.175 -6.637 1.00 63.41 H new ATOM 0 HG3 GLN A 145 16.140 15.240 -5.328 1.00 63.41 H new ATOM 0 HE21 GLN A 145 16.224 17.421 -4.906 1.00 52.14 H new ATOM 0 HE22 GLN A 145 17.668 18.237 -4.295 1.00 52.14 H new ATOM 1392 N ILE A 146 15.053 11.475 -6.183 1.00 74.12 N ATOM 1393 CA ILE A 146 13.618 11.253 -6.051 1.00 61.21 C ATOM 1394 C ILE A 146 13.314 10.293 -4.906 1.00 74.32 C ATOM 1395 O ILE A 146 14.177 9.527 -4.477 1.00 43.41 O ATOM 1396 CB ILE A 146 13.013 10.691 -7.352 1.00 2.45 C ATOM 1397 CG1 ILE A 146 13.301 11.634 -8.522 1.00 64.41 C ATOM 1398 CG2 ILE A 146 11.515 10.480 -7.191 1.00 1.31 C ATOM 1399 CD1 ILE A 146 13.102 10.992 -9.877 1.00 64.04 C ATOM 0 H ILE A 146 15.534 10.791 -6.767 1.00 74.12 H new ATOM 0 HA ILE A 146 13.167 12.222 -5.839 1.00 61.21 H new ATOM 0 HB ILE A 146 13.475 9.727 -7.564 1.00 2.45 H new ATOM 0 HG12 ILE A 146 12.652 12.506 -8.443 1.00 64.41 H new ATOM 0 HG13 ILE A 146 14.328 11.992 -8.446 1.00 64.41 H new ATOM 0 HG21 ILE A 146 11.102 10.083 -8.118 1.00 1.31 H new ATOM 0 HG22 ILE A 146 11.332 9.775 -6.381 1.00 1.31 H new ATOM 0 HG23 ILE A 146 11.036 11.431 -6.959 1.00 1.31 H new ATOM 0 HD11 ILE A 146 13.324 11.718 -10.660 1.00 64.04 H new ATOM 0 HD12 ILE A 146 13.770 10.136 -9.976 1.00 64.04 H new ATOM 0 HD13 ILE A 146 12.069 10.659 -9.974 1.00 64.04 H new ATOM 1411 N PHE A 147 12.079 10.337 -4.416 1.00 40.34 N ATOM 1412 CA PHE A 147 11.659 9.471 -3.321 1.00 63.43 C ATOM 1413 C PHE A 147 10.471 8.607 -3.736 1.00 2.45 C ATOM 1414 O PHE A 147 9.878 8.814 -4.795 1.00 42.32 O ATOM 1415 CB PHE A 147 11.293 10.306 -2.093 1.00 3.31 C ATOM 1416 CG PHE A 147 12.423 11.159 -1.590 1.00 31.24 C ATOM 1417 CD1 PHE A 147 13.717 10.665 -1.552 1.00 0.45 C ATOM 1418 CD2 PHE A 147 12.190 12.453 -1.154 1.00 44.51 C ATOM 1419 CE1 PHE A 147 14.759 11.447 -1.089 1.00 51.33 C ATOM 1420 CE2 PHE A 147 13.228 13.240 -0.691 1.00 42.13 C ATOM 1421 CZ PHE A 147 14.514 12.736 -0.658 1.00 12.14 C ATOM 0 H PHE A 147 11.352 10.964 -4.760 1.00 40.34 H new ATOM 0 HA PHE A 147 12.493 8.815 -3.070 1.00 63.43 H new ATOM 0 HB2 PHE A 147 10.446 10.947 -2.338 1.00 3.31 H new ATOM 0 HB3 PHE A 147 10.968 9.640 -1.294 1.00 3.31 H new ATOM 0 HD1 PHE A 147 13.914 9.658 -1.888 1.00 0.45 H new ATOM 0 HD2 PHE A 147 11.186 12.851 -1.176 1.00 44.51 H new ATOM 0 HE1 PHE A 147 15.763 11.050 -1.064 1.00 51.33 H new ATOM 0 HE2 PHE A 147 13.034 14.248 -0.355 1.00 42.13 H new ATOM 0 HZ PHE A 147 15.326 13.349 -0.296 1.00 12.14 H new ATOM 1431 N LEU A 148 10.129 7.639 -2.893 1.00 41.00 N ATOM 1432 CA LEU A 148 9.012 6.743 -3.170 1.00 60.35 C ATOM 1433 C LEU A 148 7.686 7.389 -2.783 1.00 10.14 C ATOM 1434 O LEU A 148 7.385 7.549 -1.600 1.00 12.33 O ATOM 1435 CB LEU A 148 9.190 5.425 -2.415 1.00 23.40 C ATOM 1436 CG LEU A 148 10.548 4.738 -2.573 1.00 55.44 C ATOM 1437 CD1 LEU A 148 10.574 3.424 -1.809 1.00 14.12 C ATOM 1438 CD2 LEU A 148 10.860 4.508 -4.045 1.00 30.22 C ATOM 0 H LEU A 148 10.609 7.455 -2.012 1.00 41.00 H new ATOM 0 HA LEU A 148 8.998 6.542 -4.241 1.00 60.35 H new ATOM 0 HB2 LEU A 148 9.021 5.611 -1.354 1.00 23.40 H new ATOM 0 HB3 LEU A 148 8.415 4.733 -2.745 1.00 23.40 H new ATOM 0 HG LEU A 148 11.315 5.391 -2.157 1.00 55.44 H new ATOM 0 HD11 LEU A 148 11.548 2.950 -1.933 1.00 14.12 H new ATOM 0 HD12 LEU A 148 10.396 3.615 -0.751 1.00 14.12 H new ATOM 0 HD13 LEU A 148 9.797 2.764 -2.194 1.00 14.12 H new ATOM 0 HD21 LEU A 148 11.829 4.019 -4.139 1.00 30.22 H new ATOM 0 HD22 LEU A 148 10.090 3.875 -4.486 1.00 30.22 H new ATOM 0 HD23 LEU A 148 10.885 5.465 -4.566 1.00 30.22 H new ATOM 1450 N ARG A 149 6.897 7.756 -3.787 1.00 14.44 N ATOM 1451 CA ARG A 149 5.602 8.384 -3.550 1.00 41.25 C ATOM 1452 C ARG A 149 4.554 7.343 -3.169 1.00 23.33 C ATOM 1453 O ARG A 149 4.493 6.264 -3.759 1.00 53.12 O ATOM 1454 CB ARG A 149 5.147 9.148 -4.795 1.00 43.23 C ATOM 1455 CG ARG A 149 5.735 10.546 -4.901 1.00 22.13 C ATOM 1456 CD ARG A 149 5.314 11.417 -3.728 1.00 10.32 C ATOM 1457 NE ARG A 149 6.447 11.782 -2.882 1.00 24.10 N ATOM 1458 CZ ARG A 149 6.349 12.583 -1.827 1.00 3.10 C ATOM 1459 NH1 ARG A 149 5.176 13.100 -1.490 1.00 11.21 N ATOM 1460 NH2 ARG A 149 7.426 12.868 -1.106 1.00 45.14 N ATOM 0 H ARG A 149 7.131 7.630 -4.772 1.00 14.44 H new ATOM 0 HA ARG A 149 5.712 9.084 -2.722 1.00 41.25 H new ATOM 0 HB2 ARG A 149 5.424 8.578 -5.682 1.00 43.23 H new ATOM 0 HB3 ARG A 149 4.059 9.220 -4.789 1.00 43.23 H new ATOM 0 HG2 ARG A 149 6.823 10.483 -4.937 1.00 22.13 H new ATOM 0 HG3 ARG A 149 5.412 11.008 -5.834 1.00 22.13 H new ATOM 0 HD2 ARG A 149 4.835 12.322 -4.102 1.00 10.32 H new ATOM 0 HD3 ARG A 149 4.572 10.887 -3.131 1.00 10.32 H new ATOM 0 HE ARG A 149 7.364 11.401 -3.114 1.00 24.10 H new ATOM 0 HH11 ARG A 149 4.346 12.883 -2.041 1.00 11.21 H new ATOM 0 HH12 ARG A 149 5.104 13.715 -0.679 1.00 11.21 H new ATOM 0 HH21 ARG A 149 8.330 12.472 -1.362 1.00 45.14 H new ATOM 0 HH22 ARG A 149 7.349 13.483 -0.296 1.00 45.14 H new ATOM 1474 N ASP A 150 3.733 7.673 -2.178 1.00 62.20 N ATOM 1475 CA ASP A 150 2.688 6.767 -1.717 1.00 75.35 C ATOM 1476 C ASP A 150 1.687 6.480 -2.833 1.00 12.13 C ATOM 1477 O ASP A 150 0.980 7.378 -3.292 1.00 2.14 O ATOM 1478 CB ASP A 150 1.965 7.361 -0.507 1.00 60.43 C ATOM 1479 CG ASP A 150 1.858 6.378 0.643 1.00 44.53 C ATOM 1480 OD1 ASP A 150 2.904 5.836 1.058 1.00 14.31 O ATOM 1481 OD2 ASP A 150 0.730 6.151 1.127 1.00 54.42 O ATOM 0 H ASP A 150 3.771 8.562 -1.679 1.00 62.20 H new ATOM 0 HA ASP A 150 3.158 5.828 -1.424 1.00 75.35 H new ATOM 0 HB2 ASP A 150 2.496 8.252 -0.172 1.00 60.43 H new ATOM 0 HB3 ASP A 150 0.965 7.678 -0.804 1.00 60.43 H new ATOM 1486 N ILE A 151 1.633 5.225 -3.264 1.00 63.43 N ATOM 1487 CA ILE A 151 0.719 4.820 -4.325 1.00 44.55 C ATOM 1488 C ILE A 151 -0.722 4.790 -3.828 1.00 3.11 C ATOM 1489 O ILE A 151 -1.015 4.214 -2.781 1.00 64.30 O ATOM 1490 CB ILE A 151 1.086 3.434 -4.887 1.00 23.03 C ATOM 1491 CG1 ILE A 151 0.611 3.304 -6.335 1.00 71.22 C ATOM 1492 CG2 ILE A 151 0.481 2.336 -4.024 1.00 41.52 C ATOM 1493 CD1 ILE A 151 0.418 1.871 -6.782 1.00 4.44 C ATOM 0 H ILE A 151 2.212 4.470 -2.895 1.00 63.43 H new ATOM 0 HA ILE A 151 0.811 5.560 -5.120 1.00 44.55 H new ATOM 0 HB ILE A 151 2.171 3.327 -4.870 1.00 23.03 H new ATOM 0 HG12 ILE A 151 -0.330 3.842 -6.450 1.00 71.22 H new ATOM 0 HG13 ILE A 151 1.336 3.786 -6.991 1.00 71.22 H new ATOM 0 HG21 ILE A 151 0.749 1.362 -4.434 1.00 41.52 H new ATOM 0 HG22 ILE A 151 0.864 2.420 -3.007 1.00 41.52 H new ATOM 0 HG23 ILE A 151 -0.604 2.439 -4.012 1.00 41.52 H new ATOM 0 HD11 ILE A 151 0.081 1.855 -7.818 1.00 4.44 H new ATOM 0 HD12 ILE A 151 1.363 1.334 -6.700 1.00 4.44 H new ATOM 0 HD13 ILE A 151 -0.329 1.390 -6.150 1.00 4.44 H new ATOM 1505 N GLU A 152 -1.618 5.413 -4.587 1.00 45.31 N ATOM 1506 CA GLU A 152 -3.029 5.456 -4.223 1.00 42.30 C ATOM 1507 C GLU A 152 -3.729 4.155 -4.603 1.00 63.34 C ATOM 1508 O GLU A 152 -4.181 3.990 -5.736 1.00 15.22 O ATOM 1509 CB GLU A 152 -3.719 6.638 -4.907 1.00 51.11 C ATOM 1510 CG GLU A 152 -3.593 7.944 -4.140 1.00 61.32 C ATOM 1511 CD GLU A 152 -4.927 8.639 -3.949 1.00 3.22 C ATOM 1512 OE1 GLU A 152 -5.599 8.366 -2.932 1.00 65.14 O ATOM 1513 OE2 GLU A 152 -5.298 9.457 -4.816 1.00 54.32 O ATOM 0 H GLU A 152 -1.392 5.895 -5.457 1.00 45.31 H new ATOM 0 HA GLU A 152 -3.095 5.582 -3.142 1.00 42.30 H new ATOM 0 HB2 GLU A 152 -3.295 6.769 -5.903 1.00 51.11 H new ATOM 0 HB3 GLU A 152 -4.775 6.404 -5.039 1.00 51.11 H new ATOM 0 HG2 GLU A 152 -3.147 7.747 -3.165 1.00 61.32 H new ATOM 0 HG3 GLU A 152 -2.914 8.610 -4.672 1.00 61.32 H new ATOM 1520 N GLN A 153 -3.812 3.234 -3.649 1.00 31.33 N ATOM 1521 CA GLN A 153 -4.455 1.946 -3.884 1.00 13.41 C ATOM 1522 C GLN A 153 -5.850 2.134 -4.471 1.00 51.14 C ATOM 1523 O GLN A 153 -6.354 3.254 -4.555 1.00 14.11 O ATOM 1524 CB GLN A 153 -4.541 1.150 -2.581 1.00 62.50 C ATOM 1525 CG GLN A 153 -4.063 -0.287 -2.714 1.00 63.32 C ATOM 1526 CD GLN A 153 -4.971 -1.273 -2.005 1.00 4.41 C ATOM 1527 OE1 GLN A 153 -5.743 -0.898 -1.122 1.00 74.14 O ATOM 1528 NE2 GLN A 153 -4.882 -2.541 -2.388 1.00 32.01 N ATOM 0 H GLN A 153 -3.442 3.355 -2.706 1.00 31.33 H new ATOM 0 HA GLN A 153 -3.850 1.391 -4.601 1.00 13.41 H new ATOM 0 HB2 GLN A 153 -3.947 1.653 -1.818 1.00 62.50 H new ATOM 0 HB3 GLN A 153 -5.574 1.150 -2.232 1.00 62.50 H new ATOM 0 HG2 GLN A 153 -4.003 -0.549 -3.770 1.00 63.32 H new ATOM 0 HG3 GLN A 153 -3.055 -0.370 -2.307 1.00 63.32 H new ATOM 0 HE21 GLN A 153 -4.228 -2.807 -3.124 1.00 32.01 H new ATOM 0 HE22 GLN A 153 -5.468 -3.250 -1.946 1.00 32.01 H new ATOM 1537 N VAL A 154 -6.469 1.030 -4.878 1.00 52.21 N ATOM 1538 CA VAL A 154 -7.806 1.073 -5.457 1.00 74.14 C ATOM 1539 C VAL A 154 -8.667 2.130 -4.775 1.00 75.10 C ATOM 1540 O VAL A 154 -8.883 2.103 -3.563 1.00 43.31 O ATOM 1541 CB VAL A 154 -8.509 -0.294 -5.349 1.00 42.45 C ATOM 1542 CG1 VAL A 154 -8.306 -0.891 -3.965 1.00 40.52 C ATOM 1543 CG2 VAL A 154 -9.990 -0.158 -5.669 1.00 1.33 C ATOM 0 H VAL A 154 -6.066 0.095 -4.817 1.00 52.21 H new ATOM 0 HA VAL A 154 -7.687 1.330 -6.510 1.00 74.14 H new ATOM 0 HB VAL A 154 -8.064 -0.971 -6.079 1.00 42.45 H new ATOM 0 HG11 VAL A 154 -8.810 -1.856 -3.908 1.00 40.52 H new ATOM 0 HG12 VAL A 154 -7.240 -1.026 -3.780 1.00 40.52 H new ATOM 0 HG13 VAL A 154 -8.722 -0.219 -3.214 1.00 40.52 H new ATOM 0 HG21 VAL A 154 -10.471 -1.133 -5.588 1.00 1.33 H new ATOM 0 HG22 VAL A 154 -10.452 0.534 -4.965 1.00 1.33 H new ATOM 0 HG23 VAL A 154 -10.110 0.222 -6.683 1.00 1.33 H new ATOM 1553 N PRO A 155 -9.174 3.084 -5.570 1.00 44.21 N ATOM 1554 CA PRO A 155 -10.021 4.168 -5.065 1.00 1.53 C ATOM 1555 C PRO A 155 -11.393 3.673 -4.621 1.00 11.20 C ATOM 1556 O PRO A 155 -11.867 2.635 -5.082 1.00 44.34 O ATOM 1557 CB PRO A 155 -10.154 5.105 -6.268 1.00 42.11 C ATOM 1558 CG PRO A 155 -9.943 4.229 -7.455 1.00 11.43 C ATOM 1559 CD PRO A 155 -8.958 3.178 -7.024 1.00 33.02 C ATOM 0 HA PRO A 155 -9.591 4.643 -4.183 1.00 1.53 H new ATOM 0 HB2 PRO A 155 -11.136 5.578 -6.295 1.00 42.11 H new ATOM 0 HB3 PRO A 155 -9.415 5.905 -6.230 1.00 42.11 H new ATOM 0 HG2 PRO A 155 -10.881 3.776 -7.777 1.00 11.43 H new ATOM 0 HG3 PRO A 155 -9.559 4.801 -8.299 1.00 11.43 H new ATOM 0 HD2 PRO A 155 -9.144 2.225 -7.520 1.00 33.02 H new ATOM 0 HD3 PRO A 155 -7.934 3.466 -7.260 1.00 33.02 H new ATOM 1567 N GLN A 156 -12.026 4.422 -3.724 1.00 0.41 N ATOM 1568 CA GLN A 156 -13.344 4.058 -3.219 1.00 32.15 C ATOM 1569 C GLN A 156 -14.209 5.297 -3.011 1.00 73.30 C ATOM 1570 O GLN A 156 -14.359 5.779 -1.889 1.00 34.33 O ATOM 1571 CB GLN A 156 -13.214 3.286 -1.904 1.00 53.12 C ATOM 1572 CG GLN A 156 -14.509 2.628 -1.455 1.00 23.32 C ATOM 1573 CD GLN A 156 -14.604 2.496 0.052 1.00 1.45 C ATOM 1574 OE1 GLN A 156 -13.752 1.874 0.688 1.00 54.00 O ATOM 1575 NE2 GLN A 156 -15.644 3.084 0.634 1.00 65.44 N ATOM 0 H GLN A 156 -11.647 5.284 -3.332 1.00 0.41 H new ATOM 0 HA GLN A 156 -13.826 3.421 -3.961 1.00 32.15 H new ATOM 0 HB2 GLN A 156 -12.447 2.520 -2.016 1.00 53.12 H new ATOM 0 HB3 GLN A 156 -12.873 3.967 -1.124 1.00 53.12 H new ATOM 0 HG2 GLN A 156 -15.354 3.212 -1.819 1.00 23.32 H new ATOM 0 HG3 GLN A 156 -14.586 1.640 -1.908 1.00 23.32 H new ATOM 0 HE21 GLN A 156 -16.326 3.589 0.069 1.00 65.44 H new ATOM 0 HE22 GLN A 156 -15.760 3.030 1.646 1.00 65.44 H new ATOM 1584 N GLN A 157 -14.775 5.807 -4.100 1.00 70.53 N ATOM 1585 CA GLN A 157 -15.624 6.990 -4.037 1.00 12.13 C ATOM 1586 C GLN A 157 -16.792 6.771 -3.081 1.00 12.43 C ATOM 1587 O GLN A 157 -17.565 5.822 -3.213 1.00 51.31 O ATOM 1588 CB GLN A 157 -16.149 7.343 -5.430 1.00 20.43 C ATOM 1589 CG GLN A 157 -16.077 8.827 -5.749 1.00 52.11 C ATOM 1590 CD GLN A 157 -17.223 9.291 -6.626 1.00 54.40 C ATOM 1591 OE1 GLN A 157 -17.910 8.482 -7.250 1.00 51.01 O ATOM 1592 NE2 GLN A 157 -17.437 10.601 -6.678 1.00 4.11 N ATOM 0 H GLN A 157 -14.661 5.419 -5.036 1.00 70.53 H new ATOM 0 HA GLN A 157 -15.022 7.818 -3.663 1.00 12.13 H new ATOM 0 HB2 GLN A 157 -15.576 6.791 -6.176 1.00 20.43 H new ATOM 0 HB3 GLN A 157 -17.184 7.012 -5.514 1.00 20.43 H new ATOM 0 HG2 GLN A 157 -16.083 9.395 -4.819 1.00 52.11 H new ATOM 0 HG3 GLN A 157 -15.132 9.042 -6.248 1.00 52.11 H new ATOM 0 HE21 GLN A 157 -16.843 11.236 -6.145 1.00 4.11 H new ATOM 0 HE22 GLN A 157 -18.195 10.972 -7.251 1.00 4.11 H new ATOM 1601 N PRO A 158 -16.925 7.669 -2.093 1.00 55.44 N ATOM 1602 CA PRO A 158 -17.997 7.596 -1.096 1.00 20.23 C ATOM 1603 C PRO A 158 -19.366 7.903 -1.692 1.00 74.41 C ATOM 1604 O PRO A 158 -19.469 8.455 -2.788 1.00 62.43 O ATOM 1605 CB PRO A 158 -17.606 8.668 -0.075 1.00 62.33 C ATOM 1606 CG PRO A 158 -16.775 9.637 -0.844 1.00 32.15 C ATOM 1607 CD PRO A 158 -16.041 8.826 -1.875 1.00 43.12 C ATOM 0 HA PRO A 158 -18.090 6.597 -0.671 1.00 20.23 H new ATOM 0 HB2 PRO A 158 -18.486 9.151 0.349 1.00 62.33 H new ATOM 0 HB3 PRO A 158 -17.046 8.238 0.756 1.00 62.33 H new ATOM 0 HG2 PRO A 158 -17.398 10.397 -1.316 1.00 32.15 H new ATOM 0 HG3 PRO A 158 -16.077 10.159 -0.189 1.00 32.15 H new ATOM 0 HD2 PRO A 158 -15.885 9.391 -2.794 1.00 43.12 H new ATOM 0 HD3 PRO A 158 -15.058 8.519 -1.519 1.00 43.12 H new ATOM 1615 N THR A 159 -20.419 7.542 -0.964 1.00 25.13 N ATOM 1616 CA THR A 159 -21.782 7.778 -1.421 1.00 60.11 C ATOM 1617 C THR A 159 -22.793 7.454 -0.327 1.00 62.31 C ATOM 1618 O THR A 159 -22.869 6.303 0.100 1.00 61.42 O ATOM 1619 CB THR A 159 -22.108 6.939 -2.671 1.00 35.00 C ATOM 1620 OG1 THR A 159 -23.372 7.339 -3.213 1.00 70.11 O ATOM 1621 CG2 THR A 159 -22.142 5.456 -2.334 1.00 31.04 C ATOM 0 H THR A 159 -20.353 7.085 -0.055 1.00 25.13 H new ATOM 0 HA THR A 159 -21.852 8.836 -1.674 1.00 60.11 H new ATOM 0 HB THR A 159 -21.325 7.109 -3.410 1.00 35.00 H new ATOM 0 HG1 THR A 159 -23.571 6.802 -4.008 1.00 70.11 H new ATOM 0 HG21 THR A 159 -22.374 4.884 -3.232 1.00 31.04 H new ATOM 0 HG22 THR A 159 -21.170 5.148 -1.949 1.00 31.04 H new ATOM 0 HG23 THR A 159 -22.906 5.272 -1.579 1.00 31.04 H new TER 1629 THR A 159 HETATM 1630 CBR DTF A 174 21.303 -10.365 -7.271 1.00 62.14 C HETATM 1631 CAU DTF A 174 21.967 -9.157 -7.008 1.00 15.04 C HETATM 1632 CAL DTF A 174 22.507 -8.895 -5.755 1.00 61.42 C HETATM 1633 CAK DTF A 174 22.428 -9.846 -4.747 1.00 75.13 C HETATM 1634 CAS DTF A 174 21.786 -11.058 -4.965 1.00 74.43 C HETATM 1635 CBQ DTF A 174 21.204 -11.333 -6.207 1.00 43.30 C HETATM 1636 CAT DTF A 174 20.531 -12.531 -6.424 1.00 24.32 C HETATM 1637 CAM DTF A 174 19.975 -12.810 -7.664 1.00 54.32 C HETATM 1638 CAP DTF A 174 20.078 -11.896 -8.704 1.00 55.34 C HETATM 1639 CBP DTF A 174 20.728 -10.669 -8.531 1.00 14.11 C HETATM 1640 CBE DTF A 174 20.829 -9.751 -9.783 1.00 1.45 C HETATM 1641 CBT DTF A 174 20.054 -8.389 -9.697 1.00 5.04 C HETATM 1642 CAY DTF A 174 18.600 -8.590 -10.220 1.00 5.45 C HETATM 1643 CAI DTF A 174 17.710 -7.366 -10.339 1.00 22.53 C HETATM 1644 CAJ DTF A 174 16.839 -7.197 -11.339 1.00 74.24 C HETATM 1645 CBB DTF A 174 20.918 -7.238 -10.316 1.00 61.21 C HETATM 1646 NBG DTF A 174 20.494 -5.849 -9.998 1.00 65.33 N HETATM 1647 C DTF A 174 20.473 -5.330 -8.750 1.00 42.34 C HETATM 1648 O DTF A 174 20.915 -5.960 -7.785 1.00 60.45 O HETATM 1649 CA DTF A 174 19.908 -3.873 -8.532 1.00 11.45 C HETATM 1650 CB DTF A 174 19.302 -3.570 -7.128 1.00 75.52 C HETATM 1651 CG DTF A 174 18.195 -4.499 -6.610 1.00 2.11 C HETATM 1652 OD1 DTF A 174 17.025 -4.376 -6.950 1.00 53.34 O HETATM 1653 ND2 DTF A 174 18.521 -5.435 -5.759 1.00 22.23 N HETATM 1654 N DTF A 174 18.889 -3.394 -9.515 1.00 73.23 N HETATM 1655 CBM DTF A 174 19.083 -2.356 -10.351 1.00 74.34 C HETATM 1656 OAE DTF A 174 20.156 -1.743 -10.329 1.00 32.52 O HETATM 1657 CBV DTF A 174 17.889 -1.891 -11.314 1.00 72.35 C HETATM 1658 CAZ DTF A 174 18.450 -1.103 -12.558 1.00 0.33 C HETATM 1659 CAW DTF A 174 17.442 -0.256 -13.386 1.00 25.24 C HETATM 1660 CAV DTF A 174 16.514 0.616 -12.506 1.00 70.31 C HETATM 1661 CAX DTF A 174 15.890 -0.140 -11.312 1.00 42.32 C HETATM 1662 CBA DTF A 174 16.971 -0.910 -10.496 1.00 51.30 C HETATM 1663 NBI DTF A 174 16.940 -2.969 -11.759 1.00 72.41 N HETATM 1664 CBK DTF A 174 17.285 -4.114 -12.349 1.00 1.22 C HETATM 1665 OAC DTF A 174 18.439 -4.408 -12.652 1.00 71.43 O HETATM 1666 CBC DTF A 174 16.120 -5.077 -12.591 1.00 43.33 C HETATM 1667 CBS DTF A 174 15.817 -6.063 -11.423 1.00 50.20 C HETATM 1668 CBO DTF A 174 14.386 -6.666 -11.506 1.00 33.22 C HETATM 1669 CAR DTF A 174 13.522 -6.557 -10.406 1.00 72.42 C HETATM 1670 CAO DTF A 174 12.255 -7.136 -10.441 1.00 23.33 C HETATM 1671 CAQ DTF A 174 13.934 -7.339 -12.654 1.00 51.11 C HETATM 1672 CAN DTF A 174 12.671 -7.917 -12.686 1.00 71.43 C HETATM 1673 CBN DTF A 174 11.833 -7.834 -11.573 1.00 72.21 C HETATM 1674 CBF DTF A 174 10.481 -8.550 -11.582 1.00 20.21 C HETATM 1675 PBW DTF A 174 9.614 -8.459 -13.090 1.00 25.51 P HETATM 1676 OAG DTF A 174 10.371 -9.241 -14.182 1.00 65.41 O HETATM 1677 OAH DTF A 174 9.430 -7.003 -13.577 1.00 25.45 O HETATM 1678 OAF DTF A 174 8.175 -9.111 -12.908 1.00 73.40 O HETATM 0 HBT1 DTF A 174 19.908 -8.047 -8.672 1.00 5.04 H new HETATM 0 HBS1 DTF A 174 15.886 -5.461 -10.517 1.00 50.20 H new HETATM 0 HBF2 DTF A 174 10.640 -9.599 -11.334 1.00 20.21 H new HETATM 0 HBF1 DTF A 174 9.857 -8.127 -10.795 1.00 20.21 H new HETATM 0 HBE2 DTF A 174 21.881 -9.537 -9.969 1.00 1.45 H new HETATM 0 HBE1 DTF A 174 20.459 -10.304 -10.646 1.00 1.45 H new HETATM 0 HBC2 DTF A 174 15.223 -4.492 -12.793 1.00 43.33 H new HETATM 0 HBC1 DTF A 174 16.331 -5.658 -13.489 1.00 43.33 H new HETATM 0 HBB2 DTF A 174 21.948 -7.366 -9.982 1.00 61.21 H new HETATM 0 HBB1 DTF A 174 20.918 -7.356 -11.400 1.00 61.21 H new HETATM 0 HBA2 DTF A 174 16.469 -1.481 -9.715 1.00 51.30 H new HETATM 0 HBA1 DTF A 174 17.608 -0.180 -9.997 1.00 51.30 H new HETATM 0 HAZ2 DTF A 174 19.239 -0.438 -12.207 1.00 0.33 H new HETATM 0 HAZ1 DTF A 174 18.916 -1.823 -13.230 1.00 0.33 H new HETATM 0 HAY2 DTF A 174 18.660 -9.056 -11.204 1.00 5.45 H new HETATM 0 HAY1 DTF A 174 18.103 -9.301 -9.560 1.00 5.45 H new HETATM 0 HAX2 DTF A 174 15.376 0.567 -10.661 1.00 42.32 H new HETATM 0 HAX1 DTF A 174 15.139 -0.841 -11.676 1.00 42.32 H new HETATM 0 HAW2 DTF A 174 17.994 0.388 -14.070 1.00 25.24 H new HETATM 0 HAW1 DTF A 174 16.833 -0.922 -13.997 1.00 25.24 H new HETATM 0 HAV2 DTF A 174 17.082 1.466 -12.128 1.00 70.31 H new HETATM 0 HAV1 DTF A 174 15.713 1.018 -13.127 1.00 70.31 H new HETATM 0 HAU1 DTF A 174 22.061 -8.413 -7.799 1.00 15.04 H new HETATM 0 HAT1 DTF A 174 20.440 -13.255 -5.614 1.00 24.32 H new HETATM 0 HAS1 DTF A 174 21.735 -11.797 -4.166 1.00 74.43 H new HETATM 0 HAR1 DTF A 174 13.844 -6.015 -9.517 1.00 72.42 H new HETATM 0 HAQ1 DTF A 174 14.581 -7.408 -13.528 1.00 51.11 H new HETATM 0 HAP1 DTF A 174 19.644 -12.139 -9.674 1.00 55.34 H new HETATM 0 HAO1 DTF A 174 11.591 -7.043 -9.581 1.00 23.33 H new HETATM 0 HAN1 DTF A 174 12.334 -8.437 -13.583 1.00 71.43 H new HETATM 0 HAM1 DTF A 174 19.453 -13.754 -7.823 1.00 54.32 H new HETATM 0 HAL1 DTF A 174 22.994 -7.939 -5.563 1.00 61.42 H new HETATM 0 HAK1 DTF A 174 22.874 -9.639 -3.774 1.00 75.13 H new HETATM 0 HAJ1 DTF A 174 16.859 -7.921 -12.154 1.00 74.24 H new HETATM 0 HAI1 DTF A 174 17.784 -6.591 -9.576 1.00 22.53 H new HETATM 0 HB2 DTF A 174 20.115 -3.582 -6.403 1.00 75.52 H new HETATM 0 HB1 DTF A 174 18.906 -2.555 -7.146 1.00 75.52 H new HETATM 0 HAE DTF A 174 19.490 -5.534 -5.456 1.00 22.23 H new HETATM 0 HAD DTF A 174 17.807 -6.067 -5.398 1.00 22.23 H new HETATM 0 HAC DTF A 174 15.946 -2.811 -11.595 1.00 72.41 H new HETATM 0 HAB DTF A 174 17.994 -3.882 -9.555 1.00 73.23 H new HETATM 0 HAA DTF A 174 20.201 -5.250 -10.770 1.00 65.33 H new HETATM 0 HA1 DTF A 174 20.846 -3.335 -8.670 1.00 11.45 H new