USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc= 0.00139 X(o=-0.026,f=-0.03) USER MOD Set 1.2: A 14 ASN : amide:sc= -0.0278 X(o=-0.026,f=-0.47) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= -0.182 (180deg=-1.01) USER MOD Single : A 24 ASN : amide:sc= -0.295 X(o=-0.29,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.319 (180deg=-0.399) USER MOD Single : A 28 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.32) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.214) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc=-9.82e-05 (180deg=-0.457) USER MOD Single : A 41 CYS SG : rot 81:sc= -2.78 USER MOD Single : A 42 MET CE :methyl 135:sc= -0.297 (180deg=-1.36) USER MOD Single : A 43 LYS NZ :NH3+ 132:sc= 1.41 (180deg=1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.091) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 116:sc= 1.17 USER MOD Single : A 58 TYR OH : rot 19:sc= 0.933 USER MOD Single : A 59 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.24) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00548 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 151.710 -4.765 18.376 1.00 0.00 N ATOM 2 CA GLY A 1 151.375 -4.686 16.928 1.00 0.00 C ATOM 3 C GLY A 1 150.441 -5.796 16.487 1.00 0.00 C ATOM 4 O GLY A 1 150.666 -6.964 16.800 1.00 0.00 O ATOM 0 H1 GLY A 1 152.350 -3.985 18.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 150.838 -4.692 18.938 1.00 0.00 H new ATOM 0 H3 GLY A 1 152.176 -5.673 18.576 1.00 0.00 H new ATOM 0 HA2 GLY A 1 150.913 -3.722 16.717 1.00 0.00 H new ATOM 0 HA3 GLY A 1 152.293 -4.734 16.343 1.00 0.00 H new ATOM 10 N GLU A 2 149.393 -5.430 15.759 1.00 0.00 N ATOM 11 CA GLU A 2 148.420 -6.403 15.275 1.00 0.00 C ATOM 12 C GLU A 2 147.353 -5.726 14.421 1.00 0.00 C ATOM 13 O GLU A 2 147.026 -4.559 14.629 1.00 0.00 O ATOM 14 CB GLU A 2 147.762 -7.130 16.449 1.00 0.00 C ATOM 15 CG GLU A 2 147.168 -8.477 16.073 1.00 0.00 C ATOM 16 CD GLU A 2 146.154 -8.970 17.085 1.00 0.00 C ATOM 17 OE1 GLU A 2 146.570 -9.572 18.098 1.00 0.00 O ATOM 18 OE2 GLU A 2 144.943 -8.757 16.867 1.00 0.00 O ATOM 0 H GLU A 2 149.195 -4.466 15.490 1.00 0.00 H new ATOM 0 HA GLU A 2 148.949 -7.130 14.658 1.00 0.00 H new ATOM 0 HB2 GLU A 2 148.502 -7.275 17.236 1.00 0.00 H new ATOM 0 HB3 GLU A 2 146.976 -6.498 16.863 1.00 0.00 H new ATOM 0 HG2 GLU A 2 146.692 -8.400 15.095 1.00 0.00 H new ATOM 0 HG3 GLU A 2 147.969 -9.210 15.980 1.00 0.00 H new ATOM 25 N TRP A 3 146.813 -6.471 13.459 1.00 0.00 N ATOM 26 CA TRP A 3 145.780 -5.948 12.572 1.00 0.00 C ATOM 27 C TRP A 3 145.382 -6.989 11.529 1.00 0.00 C ATOM 28 O TRP A 3 144.271 -7.518 11.558 1.00 0.00 O ATOM 29 CB TRP A 3 146.265 -4.672 11.878 1.00 0.00 C ATOM 30 CG TRP A 3 145.228 -3.590 11.828 1.00 0.00 C ATOM 31 CD1 TRP A 3 144.914 -2.806 10.757 1.00 0.00 C ATOM 32 CD2 TRP A 3 144.372 -3.171 12.899 1.00 0.00 C ATOM 33 NE1 TRP A 3 143.914 -1.925 11.095 1.00 0.00 N ATOM 34 CE2 TRP A 3 143.564 -2.131 12.403 1.00 0.00 C ATOM 35 CE3 TRP A 3 144.208 -3.577 14.226 1.00 0.00 C ATOM 36 CZ2 TRP A 3 142.608 -1.491 13.189 1.00 0.00 C ATOM 37 CZ3 TRP A 3 143.260 -2.940 15.005 1.00 0.00 C ATOM 38 CH2 TRP A 3 142.470 -1.908 14.485 1.00 0.00 C ATOM 0 H TRP A 3 147.075 -7.439 13.275 1.00 0.00 H new ATOM 0 HA TRP A 3 144.905 -5.711 13.177 1.00 0.00 H new ATOM 0 HB2 TRP A 3 147.146 -4.297 12.399 1.00 0.00 H new ATOM 0 HB3 TRP A 3 146.575 -4.915 10.862 1.00 0.00 H new ATOM 0 HD1 TRP A 3 145.382 -2.868 9.786 1.00 0.00 H new ATOM 0 HE1 TRP A 3 143.500 -1.231 10.473 1.00 0.00 H new ATOM 0 HE3 TRP A 3 144.811 -4.374 14.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 141.998 -0.694 12.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 143.127 -3.244 16.033 1.00 0.00 H new ATOM 0 HH2 TRP A 3 141.737 -1.431 15.119 1.00 0.00 H new ATOM 49 N GLU A 4 146.298 -7.278 10.610 1.00 0.00 N ATOM 50 CA GLU A 4 146.044 -8.256 9.558 1.00 0.00 C ATOM 51 C GLU A 4 144.826 -7.859 8.727 1.00 0.00 C ATOM 52 O GLU A 4 144.140 -6.888 9.041 1.00 0.00 O ATOM 53 CB GLU A 4 145.834 -9.646 10.163 1.00 0.00 C ATOM 54 CG GLU A 4 147.087 -10.506 10.164 1.00 0.00 C ATOM 55 CD GLU A 4 146.993 -11.673 11.129 1.00 0.00 C ATOM 56 OE1 GLU A 4 146.112 -12.535 10.934 1.00 0.00 O ATOM 57 OE2 GLU A 4 147.801 -11.722 12.081 1.00 0.00 O ATOM 0 H GLU A 4 147.223 -6.849 10.573 1.00 0.00 H new ATOM 0 HA GLU A 4 146.915 -8.281 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 4 145.478 -9.537 11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 4 145.051 -10.161 9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 4 147.264 -10.885 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 4 147.946 -9.889 10.428 1.00 0.00 H new ATOM 64 N ILE A 5 144.566 -8.615 7.664 1.00 0.00 N ATOM 65 CA ILE A 5 143.436 -8.344 6.786 1.00 0.00 C ATOM 66 C ILE A 5 142.140 -8.188 7.582 1.00 0.00 C ATOM 67 O ILE A 5 141.915 -8.895 8.564 1.00 0.00 O ATOM 68 CB ILE A 5 143.257 -9.464 5.740 1.00 0.00 C ATOM 69 CG1 ILE A 5 142.152 -9.100 4.744 1.00 0.00 C ATOM 70 CG2 ILE A 5 142.945 -10.788 6.423 1.00 0.00 C ATOM 71 CD1 ILE A 5 142.609 -8.160 3.650 1.00 0.00 C ATOM 0 H ILE A 5 145.126 -9.423 7.391 1.00 0.00 H new ATOM 0 HA ILE A 5 143.653 -7.408 6.271 1.00 0.00 H new ATOM 0 HB ILE A 5 144.192 -9.572 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 5 141.768 -10.014 4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 5 141.324 -8.641 5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 5 142.822 -11.566 5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 5 143.765 -11.055 7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 5 142.025 -10.692 6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 5 141.775 -7.946 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 5 142.966 -7.231 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 5 143.416 -8.625 3.084 1.00 0.00 H new ATOM 83 N ILE A 6 141.295 -7.256 7.152 1.00 0.00 N ATOM 84 CA ILE A 6 140.024 -7.009 7.825 1.00 0.00 C ATOM 85 C ILE A 6 138.864 -7.029 6.835 1.00 0.00 C ATOM 86 O ILE A 6 138.015 -7.918 6.879 1.00 0.00 O ATOM 87 CB ILE A 6 140.033 -5.658 8.562 1.00 0.00 C ATOM 88 CG1 ILE A 6 141.298 -5.525 9.413 1.00 0.00 C ATOM 89 CG2 ILE A 6 138.790 -5.518 9.426 1.00 0.00 C ATOM 90 CD1 ILE A 6 141.405 -4.199 10.134 1.00 0.00 C ATOM 0 H ILE A 6 141.467 -6.660 6.342 1.00 0.00 H new ATOM 0 HA ILE A 6 139.890 -7.810 8.552 1.00 0.00 H new ATOM 0 HB ILE A 6 140.029 -4.857 7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 6 141.319 -6.331 10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 6 142.171 -5.653 8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 6 138.811 -4.557 9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 6 137.902 -5.573 8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 6 138.765 -6.323 10.161 1.00 0.00 H new ATOM 0 HD11 ILE A 6 142.326 -4.175 10.717 1.00 0.00 H new ATOM 0 HD12 ILE A 6 141.416 -3.388 9.405 1.00 0.00 H new ATOM 0 HD13 ILE A 6 140.551 -4.077 10.800 1.00 0.00 H new ATOM 102 N GLU A 7 138.835 -6.044 5.944 1.00 0.00 N ATOM 103 CA GLU A 7 137.778 -5.950 4.944 1.00 0.00 C ATOM 104 C GLU A 7 138.316 -6.262 3.552 1.00 0.00 C ATOM 105 O GLU A 7 139.524 -6.392 3.357 1.00 0.00 O ATOM 106 CB GLU A 7 137.154 -4.555 4.959 1.00 0.00 C ATOM 107 CG GLU A 7 136.735 -4.090 6.345 1.00 0.00 C ATOM 108 CD GLU A 7 135.230 -4.011 6.504 1.00 0.00 C ATOM 109 OE1 GLU A 7 134.644 -2.977 6.120 1.00 0.00 O ATOM 110 OE2 GLU A 7 134.634 -4.985 7.011 1.00 0.00 O ATOM 0 H GLU A 7 139.531 -5.300 5.894 1.00 0.00 H new ATOM 0 HA GLU A 7 137.013 -6.686 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 7 137.868 -3.842 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 7 136.283 -4.549 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 7 137.140 -4.774 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 7 137.169 -3.110 6.542 1.00 0.00 H new ATOM 117 N ILE A 8 137.410 -6.383 2.587 1.00 0.00 N ATOM 118 CA ILE A 8 137.793 -6.680 1.212 1.00 0.00 C ATOM 119 C ILE A 8 137.146 -5.708 0.224 1.00 0.00 C ATOM 120 O ILE A 8 137.300 -5.852 -0.988 1.00 0.00 O ATOM 121 CB ILE A 8 137.406 -8.121 0.822 1.00 0.00 C ATOM 122 CG1 ILE A 8 137.900 -9.112 1.880 1.00 0.00 C ATOM 123 CG2 ILE A 8 137.974 -8.472 -0.545 1.00 0.00 C ATOM 124 CD1 ILE A 8 137.032 -10.346 2.004 1.00 0.00 C ATOM 0 H ILE A 8 136.406 -6.280 2.732 1.00 0.00 H new ATOM 0 HA ILE A 8 138.876 -6.570 1.161 1.00 0.00 H new ATOM 0 HB ILE A 8 136.319 -8.186 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 8 138.917 -9.416 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 8 137.942 -8.609 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 8 137.692 -9.492 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 8 137.577 -7.784 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 8 139.061 -8.392 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 8 137.441 -11.003 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 8 136.019 -10.052 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 8 137.009 -10.872 1.050 1.00 0.00 H new ATOM 136 N GLY A 9 136.421 -4.719 0.745 1.00 0.00 N ATOM 137 CA GLY A 9 135.767 -3.748 -0.114 1.00 0.00 C ATOM 138 C GLY A 9 136.540 -2.446 -0.211 1.00 0.00 C ATOM 139 O GLY A 9 137.415 -2.302 -1.066 1.00 0.00 O ATOM 0 H GLY A 9 136.276 -4.574 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.648 -4.172 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.766 -3.545 0.268 1.00 0.00 H new ATOM 143 N PRO A 10 136.237 -1.469 0.662 1.00 0.00 N ATOM 144 CA PRO A 10 136.919 -0.169 0.662 1.00 0.00 C ATOM 145 C PRO A 10 138.399 -0.300 0.998 1.00 0.00 C ATOM 146 O PRO A 10 139.238 0.414 0.449 1.00 0.00 O ATOM 147 CB PRO A 10 136.192 0.624 1.752 1.00 0.00 C ATOM 148 CG PRO A 10 135.558 -0.407 2.622 1.00 0.00 C ATOM 149 CD PRO A 10 135.211 -1.553 1.716 1.00 0.00 C ATOM 0 HA PRO A 10 136.885 0.308 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.887 1.245 2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 10 135.445 1.291 1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 10 136.240 -0.725 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.667 -0.012 3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.250 -2.508 2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 10 134.205 -1.454 1.308 1.00 0.00 H new ATOM 157 N PHE A 11 138.712 -1.220 1.907 1.00 0.00 N ATOM 158 CA PHE A 11 140.088 -1.457 2.328 1.00 0.00 C ATOM 159 C PHE A 11 141.018 -1.602 1.124 1.00 0.00 C ATOM 160 O PHE A 11 142.206 -1.289 1.204 1.00 0.00 O ATOM 161 CB PHE A 11 140.156 -2.716 3.199 1.00 0.00 C ATOM 162 CG PHE A 11 141.555 -3.142 3.545 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.304 -3.899 2.656 1.00 0.00 C ATOM 164 CD2 PHE A 11 142.121 -2.788 4.758 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.590 -4.293 2.973 1.00 0.00 C ATOM 166 CE2 PHE A 11 143.406 -3.179 5.082 1.00 0.00 C ATOM 167 CZ PHE A 11 144.141 -3.933 4.186 1.00 0.00 C ATOM 0 H PHE A 11 138.025 -1.817 2.368 1.00 0.00 H new ATOM 0 HA PHE A 11 140.420 -0.596 2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.602 -2.538 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.656 -3.533 2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 11 141.877 -4.184 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 11 141.550 -2.198 5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.163 -4.882 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.835 -2.897 6.032 1.00 0.00 H new ATOM 0 HZ PHE A 11 145.146 -4.240 4.435 1.00 0.00 H new ATOM 177 N THR A 12 140.473 -2.087 0.014 1.00 0.00 N ATOM 178 CA THR A 12 141.250 -2.284 -1.199 1.00 0.00 C ATOM 179 C THR A 12 141.232 -1.037 -2.080 1.00 0.00 C ATOM 180 O THR A 12 142.266 -0.398 -2.295 1.00 0.00 O ATOM 181 CB THR A 12 140.704 -3.483 -1.976 1.00 0.00 C ATOM 182 OG1 THR A 12 139.424 -3.855 -1.492 1.00 0.00 O ATOM 183 CG2 THR A 12 141.595 -4.703 -1.895 1.00 0.00 C ATOM 0 H THR A 12 139.491 -2.351 -0.068 1.00 0.00 H new ATOM 0 HA THR A 12 142.284 -2.477 -0.912 1.00 0.00 H new ATOM 0 HB THR A 12 140.654 -3.155 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 12 138.759 -3.199 -1.788 1.00 0.00 H new ATOM 0 HG21 THR A 12 141.150 -5.517 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.576 -4.465 -2.306 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.701 -5.007 -0.854 1.00 0.00 H new ATOM 191 N GLN A 13 140.052 -0.691 -2.586 1.00 0.00 N ATOM 192 CA GLN A 13 139.904 0.483 -3.440 1.00 0.00 C ATOM 193 C GLN A 13 140.583 1.695 -2.810 1.00 0.00 C ATOM 194 O GLN A 13 141.036 2.602 -3.509 1.00 0.00 O ATOM 195 CB GLN A 13 138.423 0.779 -3.691 1.00 0.00 C ATOM 196 CG GLN A 13 137.666 1.213 -2.446 1.00 0.00 C ATOM 197 CD GLN A 13 137.037 2.585 -2.592 1.00 0.00 C ATOM 198 OE1 GLN A 13 136.236 2.820 -3.497 1.00 0.00 O ATOM 199 NE2 GLN A 13 137.396 3.499 -1.699 1.00 0.00 N ATOM 0 H GLN A 13 139.187 -1.205 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 13 140.386 0.273 -4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 13 138.341 1.561 -4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 13 137.948 -0.112 -4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 13 136.887 0.482 -2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 13 138.347 1.219 -1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 13 138.063 3.261 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 13 137.005 4.440 -1.746 1.00 0.00 H new ATOM 208 N ASN A 14 140.659 1.694 -1.481 1.00 0.00 N ATOM 209 CA ASN A 14 141.290 2.780 -0.745 1.00 0.00 C ATOM 210 C ASN A 14 142.684 3.054 -1.281 1.00 0.00 C ATOM 211 O ASN A 14 142.946 4.127 -1.825 1.00 0.00 O ATOM 212 CB ASN A 14 141.360 2.433 0.744 1.00 0.00 C ATOM 213 CG ASN A 14 140.335 3.193 1.565 1.00 0.00 C ATOM 214 OD1 ASN A 14 139.245 3.505 1.085 1.00 0.00 O ATOM 215 ND2 ASN A 14 140.681 3.496 2.811 1.00 0.00 N ATOM 0 H ASN A 14 140.289 0.948 -0.892 1.00 0.00 H new ATOM 0 HA ASN A 14 140.688 3.679 -0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 14 141.202 1.362 0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.359 2.655 1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.033 4.007 3.410 1.00 0.00 H new ATOM 0 HD22 ASN A 14 141.595 3.218 3.168 1.00 0.00 H new ATOM 222 N LEU A 15 143.576 2.077 -1.146 1.00 0.00 N ATOM 223 CA LEU A 15 144.932 2.233 -1.648 1.00 0.00 C ATOM 224 C LEU A 15 144.886 2.689 -3.097 1.00 0.00 C ATOM 225 O LEU A 15 145.772 3.397 -3.567 1.00 0.00 O ATOM 226 CB LEU A 15 145.714 0.924 -1.530 1.00 0.00 C ATOM 227 CG LEU A 15 147.229 1.071 -1.339 1.00 0.00 C ATOM 228 CD1 LEU A 15 147.768 2.271 -2.104 1.00 0.00 C ATOM 229 CD2 LEU A 15 147.561 1.185 0.140 1.00 0.00 C ATOM 0 H LEU A 15 143.385 1.180 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 15 145.443 2.984 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 15 145.313 0.357 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.535 0.333 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 15 147.711 0.180 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 15 148.844 2.348 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 15 147.563 2.147 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 15 147.284 3.179 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 15 148.639 1.289 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 15 147.062 2.059 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 15 147.221 0.289 0.659 1.00 0.00 H new ATOM 241 N GLY A 16 143.817 2.298 -3.791 1.00 0.00 N ATOM 242 CA GLY A 16 143.650 2.701 -5.171 1.00 0.00 C ATOM 243 C GLY A 16 143.645 4.209 -5.308 1.00 0.00 C ATOM 244 O GLY A 16 144.302 4.763 -6.193 1.00 0.00 O ATOM 0 H GLY A 16 143.069 1.712 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.455 2.282 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 16 142.716 2.295 -5.560 1.00 0.00 H new ATOM 248 N LYS A 17 142.923 4.880 -4.409 1.00 0.00 N ATOM 249 CA LYS A 17 142.864 6.336 -4.425 1.00 0.00 C ATOM 250 C LYS A 17 144.253 6.908 -4.170 1.00 0.00 C ATOM 251 O LYS A 17 144.751 7.742 -4.929 1.00 0.00 O ATOM 252 CB LYS A 17 141.881 6.844 -3.370 1.00 0.00 C ATOM 253 CG LYS A 17 141.228 8.169 -3.732 1.00 0.00 C ATOM 254 CD LYS A 17 141.403 9.202 -2.629 1.00 0.00 C ATOM 255 CE LYS A 17 140.124 9.989 -2.394 1.00 0.00 C ATOM 256 NZ LYS A 17 138.981 9.099 -2.052 1.00 0.00 N ATOM 0 H LYS A 17 142.377 4.440 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 17 142.515 6.665 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 17 141.104 6.095 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 17 142.405 6.955 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 17 141.662 8.548 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 17 140.166 8.012 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 17 141.699 8.704 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 17 142.209 9.886 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 17 140.281 10.705 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 17 139.882 10.564 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 138.353 9.584 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.451 8.867 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 139.340 8.223 -1.621 1.00 0.00 H new ATOM 270 N PHE A 18 144.884 6.431 -3.103 1.00 0.00 N ATOM 271 CA PHE A 18 146.225 6.873 -2.756 1.00 0.00 C ATOM 272 C PHE A 18 147.232 6.388 -3.793 1.00 0.00 C ATOM 273 O PHE A 18 148.363 6.866 -3.844 1.00 0.00 O ATOM 274 CB PHE A 18 146.616 6.365 -1.365 1.00 0.00 C ATOM 275 CG PHE A 18 146.250 7.312 -0.258 1.00 0.00 C ATOM 276 CD1 PHE A 18 147.064 8.393 0.044 1.00 0.00 C ATOM 277 CD2 PHE A 18 145.095 7.121 0.484 1.00 0.00 C ATOM 278 CE1 PHE A 18 146.732 9.265 1.061 1.00 0.00 C ATOM 279 CE2 PHE A 18 144.757 7.991 1.502 1.00 0.00 C ATOM 280 CZ PHE A 18 145.577 9.065 1.793 1.00 0.00 C ATOM 0 H PHE A 18 144.488 5.740 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 18 146.232 7.963 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 18 146.130 5.405 -1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 18 147.691 6.188 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 18 147.969 8.555 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 18 144.452 6.282 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 18 147.375 10.104 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 18 143.852 7.832 2.070 1.00 0.00 H new ATOM 0 HZ PHE A 18 145.316 9.746 2.590 1.00 0.00 H new ATOM 290 N ALA A 19 146.805 5.442 -4.626 1.00 0.00 N ATOM 291 CA ALA A 19 147.659 4.898 -5.672 1.00 0.00 C ATOM 292 C ALA A 19 148.031 5.985 -6.669 1.00 0.00 C ATOM 293 O ALA A 19 149.209 6.274 -6.877 1.00 0.00 O ATOM 294 CB ALA A 19 146.964 3.742 -6.380 1.00 0.00 C ATOM 0 H ALA A 19 145.869 5.037 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 19 148.573 4.521 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 19 147.616 3.347 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 19 146.742 2.955 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 19 146.036 4.096 -6.829 1.00 0.00 H new ATOM 300 N VAL A 20 147.016 6.600 -7.271 1.00 0.00 N ATOM 301 CA VAL A 20 147.244 7.670 -8.232 1.00 0.00 C ATOM 302 C VAL A 20 147.989 8.821 -7.567 1.00 0.00 C ATOM 303 O VAL A 20 148.825 9.477 -8.189 1.00 0.00 O ATOM 304 CB VAL A 20 145.922 8.189 -8.831 1.00 0.00 C ATOM 305 CG1 VAL A 20 145.003 8.711 -7.738 1.00 0.00 C ATOM 306 CG2 VAL A 20 146.189 9.266 -9.873 1.00 0.00 C ATOM 0 H VAL A 20 146.034 6.376 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 20 147.846 7.261 -9.043 1.00 0.00 H new ATOM 0 HB VAL A 20 145.422 7.356 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 20 144.076 9.072 -8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 20 144.779 7.908 -7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 20 145.494 9.528 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 20 145.242 9.618 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.716 10.099 -9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 20 146.800 8.853 -10.675 1.00 0.00 H new ATOM 316 N ASP A 21 147.689 9.047 -6.292 1.00 0.00 N ATOM 317 CA ASP A 21 148.343 10.106 -5.531 1.00 0.00 C ATOM 318 C ASP A 21 149.723 9.656 -5.049 1.00 0.00 C ATOM 319 O ASP A 21 150.534 10.472 -4.610 1.00 0.00 O ATOM 320 CB ASP A 21 147.478 10.511 -4.336 1.00 0.00 C ATOM 321 CG ASP A 21 146.297 11.371 -4.742 1.00 0.00 C ATOM 322 OD1 ASP A 21 146.380 12.036 -5.797 1.00 0.00 O ATOM 323 OD2 ASP A 21 145.288 11.379 -4.006 1.00 0.00 O ATOM 0 H ASP A 21 146.999 8.512 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 21 148.470 10.968 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 21 147.115 9.615 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 21 148.090 11.055 -3.616 1.00 0.00 H new ATOM 328 N GLU A 22 149.981 8.352 -5.134 1.00 0.00 N ATOM 329 CA GLU A 22 151.257 7.787 -4.708 1.00 0.00 C ATOM 330 C GLU A 22 152.180 7.577 -5.904 1.00 0.00 C ATOM 331 O GLU A 22 153.401 7.673 -5.783 1.00 0.00 O ATOM 332 CB GLU A 22 151.023 6.457 -3.980 1.00 0.00 C ATOM 333 CG GLU A 22 152.285 5.636 -3.755 1.00 0.00 C ATOM 334 CD GLU A 22 151.991 4.267 -3.174 1.00 0.00 C ATOM 335 OE1 GLU A 22 150.882 4.080 -2.629 1.00 0.00 O ATOM 336 OE2 GLU A 22 152.864 3.380 -3.267 1.00 0.00 O ATOM 0 H GLU A 22 149.319 7.666 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 22 151.736 8.488 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 22 150.559 6.661 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 22 150.314 5.861 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 22 152.813 5.520 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 22 152.951 6.177 -3.083 1.00 0.00 H new ATOM 343 N GLU A 23 151.589 7.288 -7.061 1.00 0.00 N ATOM 344 CA GLU A 23 152.360 7.064 -8.280 1.00 0.00 C ATOM 345 C GLU A 23 153.358 8.197 -8.508 1.00 0.00 C ATOM 346 O GLU A 23 154.426 7.991 -9.082 1.00 0.00 O ATOM 347 CB GLU A 23 151.425 6.943 -9.484 1.00 0.00 C ATOM 348 CG GLU A 23 151.046 5.508 -9.818 1.00 0.00 C ATOM 349 CD GLU A 23 151.356 5.140 -11.256 1.00 0.00 C ATOM 350 OE1 GLU A 23 152.540 5.220 -11.647 1.00 0.00 O ATOM 351 OE2 GLU A 23 150.415 4.774 -11.991 1.00 0.00 O ATOM 0 H GLU A 23 150.579 7.204 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 23 152.914 6.133 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.517 7.514 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 23 151.904 7.395 -10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 23 151.580 4.831 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 23 149.982 5.365 -9.632 1.00 0.00 H new ATOM 358 N ASN A 24 152.998 9.391 -8.051 1.00 0.00 N ATOM 359 CA ASN A 24 153.858 10.559 -8.202 1.00 0.00 C ATOM 360 C ASN A 24 155.009 10.530 -7.198 1.00 0.00 C ATOM 361 O ASN A 24 156.051 11.147 -7.420 1.00 0.00 O ATOM 362 CB ASN A 24 153.044 11.842 -8.023 1.00 0.00 C ATOM 363 CG ASN A 24 152.417 12.314 -9.321 1.00 0.00 C ATOM 364 OD1 ASN A 24 152.567 13.471 -9.712 1.00 0.00 O ATOM 365 ND2 ASN A 24 151.709 11.416 -9.997 1.00 0.00 N ATOM 0 H ASN A 24 152.116 9.576 -7.573 1.00 0.00 H new ATOM 0 HA ASN A 24 154.280 10.538 -9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 24 152.260 11.672 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 24 153.689 12.627 -7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 24 151.264 11.675 -10.877 1.00 0.00 H new ATOM 0 HD22 ASN A 24 151.611 10.467 -9.636 1.00 0.00 H new ATOM 372 N LYS A 25 154.816 9.813 -6.094 1.00 0.00 N ATOM 373 CA LYS A 25 155.846 9.713 -5.062 1.00 0.00 C ATOM 374 C LYS A 25 157.010 8.843 -5.538 1.00 0.00 C ATOM 375 O LYS A 25 157.980 9.352 -6.102 1.00 0.00 O ATOM 376 CB LYS A 25 155.252 9.152 -3.766 1.00 0.00 C ATOM 377 CG LYS A 25 154.935 10.217 -2.732 1.00 0.00 C ATOM 378 CD LYS A 25 154.661 9.605 -1.367 1.00 0.00 C ATOM 379 CE LYS A 25 154.512 10.672 -0.296 1.00 0.00 C ATOM 380 NZ LYS A 25 154.990 10.196 1.032 1.00 0.00 N ATOM 0 H LYS A 25 153.961 9.295 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 25 156.229 10.714 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 25 154.340 8.604 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 25 155.952 8.436 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 155.770 10.914 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 25 154.067 10.792 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 25 153.752 9.005 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 25 155.475 8.931 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 155.074 11.560 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 25 153.465 10.967 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 154.500 10.720 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 154.789 9.180 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 156.015 10.355 1.110 1.00 0.00 H new ATOM 394 N ILE A 26 156.916 7.532 -5.311 1.00 0.00 N ATOM 395 CA ILE A 26 157.967 6.607 -5.722 1.00 0.00 C ATOM 396 C ILE A 26 158.386 6.843 -7.172 1.00 0.00 C ATOM 397 O ILE A 26 159.568 6.768 -7.506 1.00 0.00 O ATOM 398 CB ILE A 26 157.515 5.142 -5.555 1.00 0.00 C ATOM 399 CG1 ILE A 26 158.675 4.187 -5.843 1.00 0.00 C ATOM 400 CG2 ILE A 26 156.329 4.839 -6.460 1.00 0.00 C ATOM 401 CD1 ILE A 26 158.299 2.726 -5.727 1.00 0.00 C ATOM 0 H ILE A 26 156.123 7.090 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 26 158.823 6.794 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 26 157.199 4.995 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 26 159.051 4.378 -6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 26 159.490 4.400 -5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 26 156.026 3.801 -6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 26 155.498 5.496 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 26 156.613 5.004 -7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 26 159.170 2.108 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 26 157.951 2.519 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 26 157.505 2.497 -6.438 1.00 0.00 H new ATOM 413 N GLY A 27 157.410 7.129 -8.028 1.00 0.00 N ATOM 414 CA GLY A 27 157.699 7.371 -9.430 1.00 0.00 C ATOM 415 C GLY A 27 157.736 8.846 -9.772 1.00 0.00 C ATOM 416 O GLY A 27 157.105 9.661 -9.099 1.00 0.00 O ATOM 0 H GLY A 27 156.424 7.198 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 27 158.658 6.919 -9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 27 156.944 6.879 -10.043 1.00 0.00 H new ATOM 420 N GLN A 28 158.474 9.191 -10.822 1.00 0.00 N ATOM 421 CA GLN A 28 158.588 10.580 -11.253 1.00 0.00 C ATOM 422 C GLN A 28 157.308 11.035 -11.947 1.00 0.00 C ATOM 423 O GLN A 28 156.836 12.152 -11.733 1.00 0.00 O ATOM 424 CB GLN A 28 159.782 10.749 -12.193 1.00 0.00 C ATOM 425 CG GLN A 28 161.122 10.466 -11.532 1.00 0.00 C ATOM 426 CD GLN A 28 161.505 9.001 -11.592 1.00 0.00 C ATOM 427 OE1 GLN A 28 161.602 8.330 -10.566 1.00 0.00 O ATOM 428 NE2 GLN A 28 161.728 8.497 -12.801 1.00 0.00 N ATOM 0 H GLN A 28 159.002 8.528 -11.390 1.00 0.00 H new ATOM 0 HA GLN A 28 158.743 11.200 -10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 28 159.659 10.082 -13.046 1.00 0.00 H new ATOM 0 HB3 GLN A 28 159.786 11.767 -12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 28 161.895 11.060 -12.019 1.00 0.00 H new ATOM 0 HG3 GLN A 28 161.083 10.785 -10.490 1.00 0.00 H new ATOM 0 HE21 GLN A 28 161.636 9.090 -13.626 1.00 0.00 H new ATOM 0 HE22 GLN A 28 161.991 7.517 -12.904 1.00 0.00 H new ATOM 437 N TYR A 29 156.753 10.161 -12.779 1.00 0.00 N ATOM 438 CA TYR A 29 155.526 10.465 -13.507 1.00 0.00 C ATOM 439 C TYR A 29 154.500 9.350 -13.323 1.00 0.00 C ATOM 440 O TYR A 29 154.722 8.215 -13.744 1.00 0.00 O ATOM 441 CB TYR A 29 155.825 10.666 -14.994 1.00 0.00 C ATOM 442 CG TYR A 29 155.437 12.033 -15.513 1.00 0.00 C ATOM 443 CD1 TYR A 29 156.274 13.128 -15.338 1.00 0.00 C ATOM 444 CD2 TYR A 29 154.233 12.227 -16.179 1.00 0.00 C ATOM 445 CE1 TYR A 29 155.921 14.378 -15.812 1.00 0.00 C ATOM 446 CE2 TYR A 29 153.874 13.474 -16.655 1.00 0.00 C ATOM 447 CZ TYR A 29 154.721 14.545 -16.470 1.00 0.00 C ATOM 448 OH TYR A 29 154.368 15.789 -16.942 1.00 0.00 O ATOM 0 H TYR A 29 157.134 9.234 -12.967 1.00 0.00 H new ATOM 0 HA TYR A 29 155.109 11.388 -13.104 1.00 0.00 H new ATOM 0 HB2 TYR A 29 156.890 10.511 -15.166 1.00 0.00 H new ATOM 0 HB3 TYR A 29 155.296 9.905 -15.568 1.00 0.00 H new ATOM 0 HD1 TYR A 29 157.215 13.001 -14.824 1.00 0.00 H new ATOM 0 HD2 TYR A 29 153.567 11.390 -16.327 1.00 0.00 H new ATOM 0 HE1 TYR A 29 156.582 15.220 -15.667 1.00 0.00 H new ATOM 0 HE2 TYR A 29 152.934 13.608 -17.170 1.00 0.00 H new ATOM 0 HH TYR A 29 153.494 15.736 -17.382 1.00 0.00 H new ATOM 458 N GLY A 30 153.380 9.679 -12.689 1.00 0.00 N ATOM 459 CA GLY A 30 152.341 8.692 -12.457 1.00 0.00 C ATOM 460 C GLY A 30 151.345 8.612 -13.597 1.00 0.00 C ATOM 461 O GLY A 30 151.305 9.491 -14.458 1.00 0.00 O ATOM 0 H GLY A 30 153.173 10.611 -12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 30 152.800 7.714 -12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 30 151.813 8.936 -11.535 1.00 0.00 H new ATOM 465 N ARG A 31 150.539 7.555 -13.600 1.00 0.00 N ATOM 466 CA ARG A 31 149.535 7.362 -14.640 1.00 0.00 C ATOM 467 C ARG A 31 148.235 6.826 -14.048 1.00 0.00 C ATOM 468 O ARG A 31 148.135 6.610 -12.840 1.00 0.00 O ATOM 469 CB ARG A 31 150.055 6.400 -15.711 1.00 0.00 C ATOM 470 CG ARG A 31 149.675 6.804 -17.127 1.00 0.00 C ATOM 471 CD ARG A 31 149.294 5.597 -17.970 1.00 0.00 C ATOM 472 NE ARG A 31 148.142 4.888 -17.422 1.00 0.00 N ATOM 473 CZ ARG A 31 147.359 4.080 -18.134 1.00 0.00 C ATOM 474 NH1 ARG A 31 147.607 3.864 -19.420 1.00 0.00 N ATOM 475 NH2 ARG A 31 146.325 3.482 -17.557 1.00 0.00 N ATOM 0 H ARG A 31 150.562 6.819 -12.894 1.00 0.00 H new ATOM 0 HA ARG A 31 149.334 8.330 -15.099 1.00 0.00 H new ATOM 0 HB2 ARG A 31 151.141 6.340 -15.638 1.00 0.00 H new ATOM 0 HB3 ARG A 31 149.667 5.401 -15.510 1.00 0.00 H new ATOM 0 HG2 ARG A 31 148.840 7.504 -17.095 1.00 0.00 H new ATOM 0 HG3 ARG A 31 150.511 7.326 -17.594 1.00 0.00 H new ATOM 0 HD2 ARG A 31 149.070 5.921 -18.986 1.00 0.00 H new ATOM 0 HD3 ARG A 31 150.143 4.916 -18.032 1.00 0.00 H new ATOM 0 HE ARG A 31 147.924 5.019 -16.434 1.00 0.00 H new ATOM 0 HH11 ARG A 31 148.402 4.318 -19.869 1.00 0.00 H new ATOM 0 HH12 ARG A 31 147.003 3.244 -19.959 1.00 0.00 H new ATOM 0 HH21 ARG A 31 146.130 3.641 -16.569 1.00 0.00 H new ATOM 0 HH22 ARG A 31 145.725 2.863 -18.102 1.00 0.00 H new ATOM 489 N LEU A 32 147.244 6.614 -14.906 1.00 0.00 N ATOM 490 CA LEU A 32 145.949 6.104 -14.468 1.00 0.00 C ATOM 491 C LEU A 32 146.028 4.616 -14.139 1.00 0.00 C ATOM 492 O LEU A 32 146.598 3.830 -14.897 1.00 0.00 O ATOM 493 CB LEU A 32 144.890 6.347 -15.547 1.00 0.00 C ATOM 494 CG LEU A 32 143.977 7.547 -15.297 1.00 0.00 C ATOM 495 CD1 LEU A 32 143.111 7.821 -16.516 1.00 0.00 C ATOM 496 CD2 LEU A 32 143.112 7.310 -14.068 1.00 0.00 C ATOM 0 H LEU A 32 147.312 6.787 -15.909 1.00 0.00 H new ATOM 0 HA LEU A 32 145.665 6.640 -13.562 1.00 0.00 H new ATOM 0 HB2 LEU A 32 145.393 6.485 -16.504 1.00 0.00 H new ATOM 0 HB3 LEU A 32 144.273 5.453 -15.637 1.00 0.00 H new ATOM 0 HG LEU A 32 144.600 8.423 -15.115 1.00 0.00 H new ATOM 0 HD11 LEU A 32 142.467 8.679 -16.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 143.748 8.034 -17.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 142.496 6.947 -16.729 1.00 0.00 H new ATOM 0 HD21 LEU A 32 142.468 8.174 -13.904 1.00 0.00 H new ATOM 0 HD22 LEU A 32 142.497 6.423 -14.221 1.00 0.00 H new ATOM 0 HD23 LEU A 32 143.750 7.163 -13.197 1.00 0.00 H new ATOM 508 N THR A 33 145.453 4.237 -13.002 1.00 0.00 N ATOM 509 CA THR A 33 145.454 2.845 -12.566 1.00 0.00 C ATOM 510 C THR A 33 144.263 2.562 -11.656 1.00 0.00 C ATOM 511 O THR A 33 144.379 1.818 -10.682 1.00 0.00 O ATOM 512 CB THR A 33 146.760 2.525 -11.835 1.00 0.00 C ATOM 513 OG1 THR A 33 146.854 1.138 -11.563 1.00 0.00 O ATOM 514 CG2 THR A 33 146.909 3.263 -10.520 1.00 0.00 C ATOM 0 H THR A 33 144.979 4.877 -12.364 1.00 0.00 H new ATOM 0 HA THR A 33 145.372 2.209 -13.447 1.00 0.00 H new ATOM 0 HB THR A 33 147.554 2.851 -12.506 1.00 0.00 H new ATOM 0 HG1 THR A 33 147.696 0.952 -11.097 1.00 0.00 H new ATOM 0 HG21 THR A 33 147.856 2.990 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 33 146.890 4.338 -10.702 1.00 0.00 H new ATOM 0 HG23 THR A 33 146.088 2.993 -9.856 1.00 0.00 H new ATOM 522 N PHE A 34 143.122 3.165 -11.973 1.00 0.00 N ATOM 523 CA PHE A 34 141.915 2.983 -11.175 1.00 0.00 C ATOM 524 C PHE A 34 140.914 2.066 -11.873 1.00 0.00 C ATOM 525 O PHE A 34 139.703 2.232 -11.720 1.00 0.00 O ATOM 526 CB PHE A 34 141.265 4.339 -10.889 1.00 0.00 C ATOM 527 CG PHE A 34 140.755 4.476 -9.482 1.00 0.00 C ATOM 528 CD1 PHE A 34 139.945 3.498 -8.926 1.00 0.00 C ATOM 529 CD2 PHE A 34 141.083 5.583 -8.718 1.00 0.00 C ATOM 530 CE1 PHE A 34 139.473 3.623 -7.633 1.00 0.00 C ATOM 531 CE2 PHE A 34 140.616 5.714 -7.424 1.00 0.00 C ATOM 532 CZ PHE A 34 139.809 4.732 -6.881 1.00 0.00 C ATOM 0 H PHE A 34 143.008 3.783 -12.776 1.00 0.00 H new ATOM 0 HA PHE A 34 142.205 2.512 -10.236 1.00 0.00 H new ATOM 0 HB2 PHE A 34 141.991 5.129 -11.082 1.00 0.00 H new ATOM 0 HB3 PHE A 34 140.438 4.490 -11.583 1.00 0.00 H new ATOM 0 HD1 PHE A 34 139.680 2.629 -9.510 1.00 0.00 H new ATOM 0 HD2 PHE A 34 141.712 6.354 -9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 34 138.842 2.855 -7.211 1.00 0.00 H new ATOM 0 HE2 PHE A 34 140.881 6.582 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 34 139.442 4.832 -5.870 1.00 0.00 H new ATOM 542 N ASN A 35 141.414 1.098 -12.635 1.00 0.00 N ATOM 543 CA ASN A 35 140.541 0.168 -13.341 1.00 0.00 C ATOM 544 C ASN A 35 139.893 -0.815 -12.369 1.00 0.00 C ATOM 545 O ASN A 35 138.675 -0.997 -12.379 1.00 0.00 O ATOM 546 CB ASN A 35 141.323 -0.591 -14.411 1.00 0.00 C ATOM 547 CG ASN A 35 140.493 -0.857 -15.652 1.00 0.00 C ATOM 548 OD1 ASN A 35 140.395 -0.009 -16.539 1.00 0.00 O ATOM 549 ND2 ASN A 35 139.890 -2.038 -15.719 1.00 0.00 N ATOM 0 H ASN A 35 142.411 0.938 -12.778 1.00 0.00 H new ATOM 0 HA ASN A 35 139.753 0.746 -13.824 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.209 -0.018 -14.685 1.00 0.00 H new ATOM 0 HB3 ASN A 35 141.671 -1.539 -14.000 1.00 0.00 H new ATOM 0 HD21 ASN A 35 139.317 -2.273 -16.530 1.00 0.00 H new ATOM 0 HD22 ASN A 35 139.999 -2.710 -14.960 1.00 0.00 H new ATOM 556 N LYS A 36 140.710 -1.444 -11.527 1.00 0.00 N ATOM 557 CA LYS A 36 140.203 -2.403 -10.552 1.00 0.00 C ATOM 558 C LYS A 36 141.213 -2.636 -9.431 1.00 0.00 C ATOM 559 O LYS A 36 141.975 -3.601 -9.458 1.00 0.00 O ATOM 560 CB LYS A 36 139.865 -3.728 -11.237 1.00 0.00 C ATOM 561 CG LYS A 36 138.578 -4.360 -10.731 1.00 0.00 C ATOM 562 CD LYS A 36 138.425 -5.788 -11.230 1.00 0.00 C ATOM 563 CE LYS A 36 137.467 -6.582 -10.357 1.00 0.00 C ATOM 564 NZ LYS A 36 136.223 -5.819 -10.057 1.00 0.00 N ATOM 0 H LYS A 36 141.720 -1.307 -11.501 1.00 0.00 H new ATOM 0 HA LYS A 36 139.296 -1.987 -10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 36 139.781 -3.562 -12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.688 -4.427 -11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 36 138.571 -4.352 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 36 137.726 -3.765 -11.060 1.00 0.00 H new ATOM 0 HD2 LYS A 36 138.061 -5.779 -12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 36 139.399 -6.277 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 36 137.208 -7.515 -10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 36 137.963 -6.848 -9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 135.505 -6.464 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 136.432 -5.075 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 135.863 -5.385 -10.931 1.00 0.00 H new ATOM 578 N VAL A 37 141.212 -1.749 -8.442 1.00 0.00 N ATOM 579 CA VAL A 37 142.122 -1.864 -7.308 1.00 0.00 C ATOM 580 C VAL A 37 141.553 -2.807 -6.257 1.00 0.00 C ATOM 581 O VAL A 37 140.596 -2.460 -5.566 1.00 0.00 O ATOM 582 CB VAL A 37 142.377 -0.493 -6.651 1.00 0.00 C ATOM 583 CG1 VAL A 37 143.566 -0.558 -5.703 1.00 0.00 C ATOM 584 CG2 VAL A 37 142.582 0.584 -7.708 1.00 0.00 C ATOM 0 H VAL A 37 140.590 -0.941 -8.403 1.00 0.00 H new ATOM 0 HA VAL A 37 143.063 -2.258 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 37 141.496 -0.229 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 37 143.726 0.421 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 37 143.368 -1.290 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 37 144.457 -0.852 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 37 142.760 1.543 -7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 37 143.441 0.327 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 37 141.692 0.655 -8.333 1.00 0.00 H new ATOM 594 N ILE A 38 142.128 -4.006 -6.134 1.00 0.00 N ATOM 595 CA ILE A 38 141.626 -4.963 -5.157 1.00 0.00 C ATOM 596 C ILE A 38 142.701 -5.964 -4.677 1.00 0.00 C ATOM 597 O ILE A 38 143.762 -5.555 -4.186 1.00 0.00 O ATOM 598 CB ILE A 38 140.392 -5.710 -5.713 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.722 -6.360 -7.058 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.217 -4.756 -5.861 1.00 0.00 C ATOM 601 CD1 ILE A 38 139.936 -7.625 -7.327 1.00 0.00 C ATOM 0 H ILE A 38 142.923 -4.328 -6.686 1.00 0.00 H new ATOM 0 HA ILE A 38 141.331 -4.386 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 38 140.116 -6.494 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 38 140.527 -5.644 -7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.787 -6.590 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.356 -5.297 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 38 138.967 -4.333 -4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.485 -3.953 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 38 140.221 -8.031 -8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 38 140.150 -8.358 -6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 38 138.870 -7.398 -7.328 1.00 0.00 H new ATOM 613 N LYS A 39 142.406 -7.273 -4.791 1.00 0.00 N ATOM 614 CA LYS A 39 143.316 -8.334 -4.351 1.00 0.00 C ATOM 615 C LYS A 39 143.261 -8.490 -2.830 1.00 0.00 C ATOM 616 O LYS A 39 142.783 -7.600 -2.126 1.00 0.00 O ATOM 617 CB LYS A 39 144.749 -8.069 -4.823 1.00 0.00 C ATOM 618 CG LYS A 39 145.225 -9.037 -5.895 1.00 0.00 C ATOM 619 CD LYS A 39 144.834 -8.566 -7.288 1.00 0.00 C ATOM 620 CE LYS A 39 145.801 -9.076 -8.345 1.00 0.00 C ATOM 621 NZ LYS A 39 146.252 -10.469 -8.069 1.00 0.00 N ATOM 0 H LYS A 39 141.533 -7.618 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 39 142.988 -9.269 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 39 144.813 -7.052 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 39 145.421 -8.128 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 39 146.308 -9.142 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 144.799 -10.023 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 39 143.826 -8.911 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 39 144.811 -7.476 -7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 39 145.321 -9.038 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 39 146.668 -8.417 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 146.555 -10.918 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 147.049 -10.450 -7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 145.467 -11.013 -7.656 1.00 0.00 H new ATOM 635 N PRO A 40 143.738 -9.635 -2.300 1.00 0.00 N ATOM 636 CA PRO A 40 143.726 -9.906 -0.855 1.00 0.00 C ATOM 637 C PRO A 40 144.462 -8.836 -0.057 1.00 0.00 C ATOM 638 O PRO A 40 143.859 -8.124 0.745 1.00 0.00 O ATOM 639 CB PRO A 40 144.439 -11.261 -0.725 1.00 0.00 C ATOM 640 CG PRO A 40 145.133 -11.472 -2.029 1.00 0.00 C ATOM 641 CD PRO A 40 144.311 -10.755 -3.059 1.00 0.00 C ATOM 0 HA PRO A 40 142.711 -9.911 -0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 40 145.150 -11.253 0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 40 143.727 -12.062 -0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 40 146.149 -11.078 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 40 145.210 -12.534 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 40 144.921 -10.408 -3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 40 143.536 -11.398 -3.477 1.00 0.00 H new ATOM 649 N CYS A 41 145.763 -8.721 -0.289 1.00 0.00 N ATOM 650 CA CYS A 41 146.581 -7.725 0.403 1.00 0.00 C ATOM 651 C CYS A 41 146.593 -7.972 1.910 1.00 0.00 C ATOM 652 O CYS A 41 146.214 -9.048 2.376 1.00 0.00 O ATOM 653 CB CYS A 41 146.063 -6.313 0.112 1.00 0.00 C ATOM 654 SG CYS A 41 145.185 -6.148 -1.461 1.00 0.00 S ATOM 0 H CYS A 41 146.277 -9.303 -0.950 1.00 0.00 H new ATOM 0 HA CYS A 41 147.602 -7.816 0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 41 145.397 -6.010 0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 41 146.906 -5.622 0.118 1.00 0.00 H new ATOM 0 HG CYS A 41 143.963 -6.571 -1.323 1.00 0.00 H new ATOM 660 N MET A 42 147.033 -6.970 2.669 1.00 0.00 N ATOM 661 CA MET A 42 147.096 -7.083 4.122 1.00 0.00 C ATOM 662 C MET A 42 147.491 -5.752 4.761 1.00 0.00 C ATOM 663 O MET A 42 148.083 -4.889 4.112 1.00 0.00 O ATOM 664 CB MET A 42 148.088 -8.177 4.526 1.00 0.00 C ATOM 665 CG MET A 42 147.463 -9.294 5.345 1.00 0.00 C ATOM 666 SD MET A 42 148.694 -10.351 6.134 1.00 0.00 S ATOM 667 CE MET A 42 149.503 -9.178 7.219 1.00 0.00 C ATOM 0 H MET A 42 147.350 -6.073 2.301 1.00 0.00 H new ATOM 0 HA MET A 42 146.103 -7.352 4.483 1.00 0.00 H new ATOM 0 HB2 MET A 42 148.533 -8.603 3.626 1.00 0.00 H new ATOM 0 HB3 MET A 42 148.898 -7.727 5.100 1.00 0.00 H new ATOM 0 HG2 MET A 42 146.818 -8.861 6.110 1.00 0.00 H new ATOM 0 HG3 MET A 42 146.829 -9.901 4.699 1.00 0.00 H new ATOM 0 HE1 MET A 42 149.634 -9.625 8.205 1.00 0.00 H new ATOM 0 HE2 MET A 42 150.477 -8.914 6.808 1.00 0.00 H new ATOM 0 HE3 MET A 42 148.890 -8.281 7.306 1.00 0.00 H new ATOM 677 N LYS A 43 147.160 -5.600 6.039 1.00 0.00 N ATOM 678 CA LYS A 43 147.476 -4.385 6.784 1.00 0.00 C ATOM 679 C LYS A 43 148.075 -4.738 8.144 1.00 0.00 C ATOM 680 O LYS A 43 148.039 -5.896 8.560 1.00 0.00 O ATOM 681 CB LYS A 43 146.214 -3.540 6.974 1.00 0.00 C ATOM 682 CG LYS A 43 146.388 -2.083 6.571 1.00 0.00 C ATOM 683 CD LYS A 43 145.729 -1.142 7.567 1.00 0.00 C ATOM 684 CE LYS A 43 146.759 -0.419 8.421 1.00 0.00 C ATOM 685 NZ LYS A 43 146.369 -0.388 9.859 1.00 0.00 N ATOM 0 H LYS A 43 146.669 -6.309 6.584 1.00 0.00 H new ATOM 0 HA LYS A 43 148.207 -3.809 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 43 145.404 -3.976 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 43 145.911 -3.585 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 43 147.450 -1.850 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 43 145.958 -1.925 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 43 145.122 -0.412 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 43 145.054 -1.707 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 43 147.726 -0.912 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 43 146.881 0.601 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 147.178 -0.679 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 146.082 0.577 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 145.575 -1.040 10.017 1.00 0.00 H new ATOM 699 N LYS A 44 148.623 -3.742 8.834 1.00 0.00 N ATOM 700 CA LYS A 44 149.223 -3.967 10.146 1.00 0.00 C ATOM 701 C LYS A 44 149.598 -2.645 10.810 1.00 0.00 C ATOM 702 O LYS A 44 149.387 -1.573 10.243 1.00 0.00 O ATOM 703 CB LYS A 44 150.463 -4.855 10.018 1.00 0.00 C ATOM 704 CG LYS A 44 150.171 -6.336 10.188 1.00 0.00 C ATOM 705 CD LYS A 44 151.305 -7.050 10.904 1.00 0.00 C ATOM 706 CE LYS A 44 152.481 -7.299 9.973 1.00 0.00 C ATOM 707 NZ LYS A 44 153.168 -8.585 10.276 1.00 0.00 N ATOM 0 H LYS A 44 148.664 -2.776 8.509 1.00 0.00 H new ATOM 0 HA LYS A 44 148.486 -4.470 10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 150.916 -4.693 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 44 151.197 -4.550 10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 44 149.247 -6.463 10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 44 150.013 -6.791 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 44 151.633 -6.453 11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 44 150.946 -8.000 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 44 152.131 -7.309 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 44 153.193 -6.478 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 153.963 -8.717 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 153.525 -8.566 11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 152.496 -9.371 10.168 1.00 0.00 H new ATOM 721 N THR A 45 150.166 -2.730 12.010 1.00 0.00 N ATOM 722 CA THR A 45 150.579 -1.543 12.741 1.00 0.00 C ATOM 723 C THR A 45 151.275 -1.911 14.048 1.00 0.00 C ATOM 724 O THR A 45 151.048 -2.986 14.602 1.00 0.00 O ATOM 725 CB THR A 45 149.382 -0.630 13.012 1.00 0.00 C ATOM 726 OG1 THR A 45 149.781 0.522 13.731 1.00 0.00 O ATOM 727 CG2 THR A 45 148.279 -1.304 13.795 1.00 0.00 C ATOM 0 H THR A 45 150.349 -3.609 12.494 1.00 0.00 H new ATOM 0 HA THR A 45 151.294 -1.004 12.119 1.00 0.00 H new ATOM 0 HB THR A 45 148.994 -0.365 12.028 1.00 0.00 H new ATOM 0 HG1 THR A 45 149.001 1.093 13.892 1.00 0.00 H new ATOM 0 HG21 THR A 45 147.462 -0.600 13.952 1.00 0.00 H new ATOM 0 HG22 THR A 45 147.913 -2.167 13.239 1.00 0.00 H new ATOM 0 HG23 THR A 45 148.666 -1.632 14.760 1.00 0.00 H new ATOM 735 N ILE A 46 152.131 -1.007 14.530 1.00 0.00 N ATOM 736 CA ILE A 46 152.870 -1.241 15.767 1.00 0.00 C ATOM 737 C ILE A 46 153.093 0.053 16.533 1.00 0.00 C ATOM 738 O ILE A 46 153.870 0.911 16.115 1.00 0.00 O ATOM 739 CB ILE A 46 154.244 -1.885 15.500 1.00 0.00 C ATOM 740 CG1 ILE A 46 154.940 -1.191 14.323 1.00 0.00 C ATOM 741 CG2 ILE A 46 154.092 -3.378 15.248 1.00 0.00 C ATOM 742 CD1 ILE A 46 154.543 -1.735 12.968 1.00 0.00 C ATOM 0 H ILE A 46 152.327 -0.111 14.083 1.00 0.00 H new ATOM 0 HA ILE A 46 152.259 -1.922 16.360 1.00 0.00 H new ATOM 0 HB ILE A 46 154.869 -1.756 16.384 1.00 0.00 H new ATOM 0 HG12 ILE A 46 154.713 -0.125 14.356 1.00 0.00 H new ATOM 0 HG13 ILE A 46 156.019 -1.291 14.442 1.00 0.00 H new ATOM 0 HG21 ILE A 46 155.072 -3.817 15.061 1.00 0.00 H new ATOM 0 HG22 ILE A 46 153.643 -3.851 16.122 1.00 0.00 H new ATOM 0 HG23 ILE A 46 153.452 -3.537 14.380 1.00 0.00 H new ATOM 0 HD11 ILE A 46 155.077 -1.193 12.188 1.00 0.00 H new ATOM 0 HD12 ILE A 46 154.796 -2.794 12.913 1.00 0.00 H new ATOM 0 HD13 ILE A 46 153.469 -1.610 12.826 1.00 0.00 H new ATOM 754 N TYR A 47 152.417 0.181 17.663 1.00 0.00 N ATOM 755 CA TYR A 47 152.551 1.370 18.495 1.00 0.00 C ATOM 756 C TYR A 47 153.141 1.015 19.853 1.00 0.00 C ATOM 757 O TYR A 47 152.929 -0.085 20.365 1.00 0.00 O ATOM 758 CB TYR A 47 151.197 2.058 18.670 1.00 0.00 C ATOM 759 CG TYR A 47 150.112 1.144 19.196 1.00 0.00 C ATOM 760 CD1 TYR A 47 149.487 0.226 18.362 1.00 0.00 C ATOM 761 CD2 TYR A 47 149.718 1.197 20.526 1.00 0.00 C ATOM 762 CE1 TYR A 47 148.497 -0.611 18.839 1.00 0.00 C ATOM 763 CE2 TYR A 47 148.728 0.362 21.011 1.00 0.00 C ATOM 764 CZ TYR A 47 148.121 -0.539 20.163 1.00 0.00 C ATOM 765 OH TYR A 47 147.135 -1.372 20.642 1.00 0.00 O ATOM 0 H TYR A 47 151.771 -0.520 18.026 1.00 0.00 H new ATOM 0 HA TYR A 47 153.230 2.060 17.994 1.00 0.00 H new ATOM 0 HB2 TYR A 47 151.313 2.900 19.353 1.00 0.00 H new ATOM 0 HB3 TYR A 47 150.881 2.467 17.710 1.00 0.00 H new ATOM 0 HD1 TYR A 47 149.780 0.166 17.324 1.00 0.00 H new ATOM 0 HD2 TYR A 47 150.192 1.902 21.193 1.00 0.00 H new ATOM 0 HE1 TYR A 47 148.020 -1.319 18.177 1.00 0.00 H new ATOM 0 HE2 TYR A 47 148.432 0.416 22.048 1.00 0.00 H new ATOM 0 HH TYR A 47 146.991 -1.194 21.595 1.00 0.00 H new ATOM 775 N GLU A 48 153.887 1.950 20.435 1.00 0.00 N ATOM 776 CA GLU A 48 154.507 1.728 21.733 1.00 0.00 C ATOM 777 C GLU A 48 153.479 1.815 22.852 1.00 0.00 C ATOM 778 O GLU A 48 152.984 0.802 23.342 1.00 0.00 O ATOM 779 CB GLU A 48 155.641 2.731 21.963 1.00 0.00 C ATOM 780 CG GLU A 48 156.300 2.603 23.326 1.00 0.00 C ATOM 781 CD GLU A 48 157.141 1.347 23.450 1.00 0.00 C ATOM 782 OE1 GLU A 48 156.555 0.245 23.491 1.00 0.00 O ATOM 783 OE2 GLU A 48 158.383 1.466 23.504 1.00 0.00 O ATOM 0 H GLU A 48 154.075 2.866 20.027 1.00 0.00 H new ATOM 0 HA GLU A 48 154.927 0.722 21.740 1.00 0.00 H new ATOM 0 HB2 GLU A 48 156.397 2.596 21.189 1.00 0.00 H new ATOM 0 HB3 GLU A 48 155.249 3.742 21.852 1.00 0.00 H new ATOM 0 HG2 GLU A 48 156.928 3.476 23.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 155.531 2.599 24.099 1.00 0.00 H new ATOM 790 N ASN A 49 153.169 3.034 23.242 1.00 0.00 N ATOM 791 CA ASN A 49 152.200 3.285 24.304 1.00 0.00 C ATOM 792 C ASN A 49 151.996 4.781 24.494 1.00 0.00 C ATOM 793 O ASN A 49 150.872 5.279 24.446 1.00 0.00 O ATOM 794 CB ASN A 49 152.665 2.647 25.614 1.00 0.00 C ATOM 795 CG ASN A 49 151.515 2.051 26.404 1.00 0.00 C ATOM 796 OD1 ASN A 49 151.347 2.337 27.589 1.00 0.00 O ATOM 797 ND2 ASN A 49 150.716 1.217 25.749 1.00 0.00 N ATOM 0 H ASN A 49 153.575 3.878 22.839 1.00 0.00 H new ATOM 0 HA ASN A 49 151.250 2.836 24.015 1.00 0.00 H new ATOM 0 HB2 ASN A 49 153.396 1.868 25.397 1.00 0.00 H new ATOM 0 HB3 ASN A 49 153.170 3.398 26.222 1.00 0.00 H new ATOM 0 HD21 ASN A 49 149.926 0.785 26.228 1.00 0.00 H new ATOM 0 HD22 ASN A 49 150.892 1.008 24.766 1.00 0.00 H new ATOM 804 N GLU A 50 153.097 5.495 24.695 1.00 0.00 N ATOM 805 CA GLU A 50 153.052 6.938 24.875 1.00 0.00 C ATOM 806 C GLU A 50 153.367 7.640 23.559 1.00 0.00 C ATOM 807 O GLU A 50 153.987 8.704 23.542 1.00 0.00 O ATOM 808 CB GLU A 50 154.045 7.374 25.953 1.00 0.00 C ATOM 809 CG GLU A 50 153.536 7.165 27.369 1.00 0.00 C ATOM 810 CD GLU A 50 154.633 7.302 28.408 1.00 0.00 C ATOM 811 OE1 GLU A 50 155.781 6.911 28.114 1.00 0.00 O ATOM 812 OE2 GLU A 50 154.341 7.799 29.516 1.00 0.00 O ATOM 0 H GLU A 50 154.034 5.095 24.737 1.00 0.00 H new ATOM 0 HA GLU A 50 152.048 7.217 25.194 1.00 0.00 H new ATOM 0 HB2 GLU A 50 154.975 6.820 25.824 1.00 0.00 H new ATOM 0 HB3 GLU A 50 154.281 8.429 25.813 1.00 0.00 H new ATOM 0 HG2 GLU A 50 152.749 7.889 27.579 1.00 0.00 H new ATOM 0 HG3 GLU A 50 153.087 6.175 27.448 1.00 0.00 H new ATOM 819 N ARG A 51 152.940 7.025 22.458 1.00 0.00 N ATOM 820 CA ARG A 51 153.178 7.576 21.131 1.00 0.00 C ATOM 821 C ARG A 51 154.672 7.647 20.835 1.00 0.00 C ATOM 822 O ARG A 51 155.187 8.696 20.445 1.00 0.00 O ATOM 823 CB ARG A 51 152.550 8.966 21.010 1.00 0.00 C ATOM 824 CG ARG A 51 151.042 8.937 20.806 1.00 0.00 C ATOM 825 CD ARG A 51 150.301 9.047 22.128 1.00 0.00 C ATOM 826 NE ARG A 51 148.934 9.531 21.950 1.00 0.00 N ATOM 827 CZ ARG A 51 147.959 8.814 21.397 1.00 0.00 C ATOM 828 NH1 ARG A 51 148.196 7.580 20.966 1.00 0.00 N ATOM 829 NH2 ARG A 51 146.744 9.330 21.274 1.00 0.00 N ATOM 0 H ARG A 51 152.427 6.144 22.462 1.00 0.00 H new ATOM 0 HA ARG A 51 152.713 6.915 20.400 1.00 0.00 H new ATOM 0 HB2 ARG A 51 152.776 9.537 21.911 1.00 0.00 H new ATOM 0 HB3 ARG A 51 153.011 9.493 20.175 1.00 0.00 H new ATOM 0 HG2 ARG A 51 150.746 9.757 20.152 1.00 0.00 H new ATOM 0 HG3 ARG A 51 150.759 8.012 20.305 1.00 0.00 H new ATOM 0 HD2 ARG A 51 150.280 8.072 22.614 1.00 0.00 H new ATOM 0 HD3 ARG A 51 150.841 9.722 22.791 1.00 0.00 H new ATOM 0 HE ARG A 51 148.714 10.475 22.269 1.00 0.00 H new ATOM 0 HH11 ARG A 51 149.129 7.178 21.058 1.00 0.00 H new ATOM 0 HH12 ARG A 51 147.445 7.035 20.543 1.00 0.00 H new ATOM 0 HH21 ARG A 51 146.556 10.277 21.603 1.00 0.00 H new ATOM 0 HH22 ARG A 51 145.997 8.780 20.850 1.00 0.00 H new ATOM 843 N GLU A 52 155.367 6.526 21.022 1.00 0.00 N ATOM 844 CA GLU A 52 156.805 6.481 20.769 1.00 0.00 C ATOM 845 C GLU A 52 157.104 6.018 19.353 1.00 0.00 C ATOM 846 O GLU A 52 158.165 6.311 18.802 1.00 0.00 O ATOM 847 CB GLU A 52 157.503 5.569 21.780 1.00 0.00 C ATOM 848 CG GLU A 52 157.185 5.910 23.226 1.00 0.00 C ATOM 849 CD GLU A 52 158.315 5.553 24.172 1.00 0.00 C ATOM 850 OE1 GLU A 52 158.887 4.452 24.025 1.00 0.00 O ATOM 851 OE2 GLU A 52 158.629 6.375 25.058 1.00 0.00 O ATOM 0 H GLU A 52 154.963 5.647 21.344 1.00 0.00 H new ATOM 0 HA GLU A 52 157.191 7.494 20.883 1.00 0.00 H new ATOM 0 HB2 GLU A 52 157.213 4.536 21.586 1.00 0.00 H new ATOM 0 HB3 GLU A 52 158.581 5.631 21.629 1.00 0.00 H new ATOM 0 HG2 GLU A 52 156.973 6.976 23.306 1.00 0.00 H new ATOM 0 HG3 GLU A 52 156.281 5.382 23.530 1.00 0.00 H new ATOM 858 N ILE A 53 156.162 5.297 18.767 1.00 0.00 N ATOM 859 CA ILE A 53 156.320 4.796 17.407 1.00 0.00 C ATOM 860 C ILE A 53 154.992 4.804 16.653 1.00 0.00 C ATOM 861 O ILE A 53 154.658 5.772 15.973 1.00 0.00 O ATOM 862 CB ILE A 53 156.966 3.383 17.392 1.00 0.00 C ATOM 863 CG1 ILE A 53 156.812 2.717 16.018 1.00 0.00 C ATOM 864 CG2 ILE A 53 156.389 2.500 18.490 1.00 0.00 C ATOM 865 CD1 ILE A 53 157.748 1.547 15.806 1.00 0.00 C ATOM 0 H ILE A 53 155.279 5.044 19.210 1.00 0.00 H new ATOM 0 HA ILE A 53 156.999 5.473 16.888 1.00 0.00 H new ATOM 0 HB ILE A 53 158.031 3.507 17.588 1.00 0.00 H new ATOM 0 HG12 ILE A 53 155.784 2.375 15.902 1.00 0.00 H new ATOM 0 HG13 ILE A 53 156.990 3.460 15.241 1.00 0.00 H new ATOM 0 HG21 ILE A 53 156.861 1.518 18.453 1.00 0.00 H new ATOM 0 HG22 ILE A 53 156.578 2.957 19.461 1.00 0.00 H new ATOM 0 HG23 ILE A 53 155.314 2.392 18.343 1.00 0.00 H new ATOM 0 HD11 ILE A 53 157.584 1.125 14.814 1.00 0.00 H new ATOM 0 HD12 ILE A 53 158.780 1.887 15.890 1.00 0.00 H new ATOM 0 HD13 ILE A 53 157.555 0.785 16.561 1.00 0.00 H new ATOM 877 N LYS A 54 154.248 3.722 16.773 1.00 0.00 N ATOM 878 CA LYS A 54 152.960 3.587 16.102 1.00 0.00 C ATOM 879 C LYS A 54 153.143 3.560 14.595 1.00 0.00 C ATOM 880 O LYS A 54 152.725 4.477 13.887 1.00 0.00 O ATOM 881 CB LYS A 54 152.019 4.723 16.498 1.00 0.00 C ATOM 882 CG LYS A 54 150.626 4.590 15.907 1.00 0.00 C ATOM 883 CD LYS A 54 149.674 5.623 16.491 1.00 0.00 C ATOM 884 CE LYS A 54 148.295 5.032 16.737 1.00 0.00 C ATOM 885 NZ LYS A 54 147.723 5.480 18.036 1.00 0.00 N ATOM 0 H LYS A 54 154.513 2.913 17.334 1.00 0.00 H new ATOM 0 HA LYS A 54 152.514 2.644 16.417 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.942 4.758 17.585 1.00 0.00 H new ATOM 0 HB3 LYS A 54 152.452 5.671 16.178 1.00 0.00 H new ATOM 0 HG2 LYS A 54 150.675 4.709 14.825 1.00 0.00 H new ATOM 0 HG3 LYS A 54 150.241 3.589 16.100 1.00 0.00 H new ATOM 0 HD2 LYS A 54 150.080 6.005 17.428 1.00 0.00 H new ATOM 0 HD3 LYS A 54 149.592 6.470 15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 54 147.626 5.322 15.927 1.00 0.00 H new ATOM 0 HE3 LYS A 54 148.359 3.944 16.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 146.783 5.055 18.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 148.348 5.182 18.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 147.638 6.517 18.039 1.00 0.00 H new ATOM 899 N GLY A 55 153.770 2.498 14.112 1.00 0.00 N ATOM 900 CA GLY A 55 153.994 2.365 12.687 1.00 0.00 C ATOM 901 C GLY A 55 152.969 1.463 12.040 1.00 0.00 C ATOM 902 O GLY A 55 152.908 0.276 12.342 1.00 0.00 O ATOM 0 H GLY A 55 154.127 1.728 14.678 1.00 0.00 H new ATOM 0 HA2 GLY A 55 153.958 3.349 12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 55 154.993 1.965 12.512 1.00 0.00 H new ATOM 906 N TYR A 56 152.153 2.024 11.155 1.00 0.00 N ATOM 907 CA TYR A 56 151.123 1.243 10.484 1.00 0.00 C ATOM 908 C TYR A 56 151.440 1.061 9.005 1.00 0.00 C ATOM 909 O TYR A 56 151.691 2.028 8.287 1.00 0.00 O ATOM 910 CB TYR A 56 149.749 1.898 10.655 1.00 0.00 C ATOM 911 CG TYR A 56 149.769 3.407 10.564 1.00 0.00 C ATOM 912 CD1 TYR A 56 150.174 4.181 11.644 1.00 0.00 C ATOM 913 CD2 TYR A 56 149.377 4.057 9.400 1.00 0.00 C ATOM 914 CE1 TYR A 56 150.186 5.561 11.567 1.00 0.00 C ATOM 915 CE2 TYR A 56 149.387 5.435 9.315 1.00 0.00 C ATOM 916 CZ TYR A 56 149.793 6.184 10.401 1.00 0.00 C ATOM 917 OH TYR A 56 149.803 7.557 10.321 1.00 0.00 O ATOM 0 H TYR A 56 152.184 3.008 10.888 1.00 0.00 H new ATOM 0 HA TYR A 56 151.102 0.257 10.949 1.00 0.00 H new ATOM 0 HB2 TYR A 56 149.075 1.508 9.893 1.00 0.00 H new ATOM 0 HB3 TYR A 56 149.338 1.608 11.622 1.00 0.00 H new ATOM 0 HD1 TYR A 56 150.484 3.697 12.558 1.00 0.00 H new ATOM 0 HD2 TYR A 56 149.059 3.475 8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 56 150.502 6.149 12.416 1.00 0.00 H new ATOM 0 HE2 TYR A 56 149.079 5.925 8.403 1.00 0.00 H new ATOM 0 HH TYR A 56 150.452 7.840 9.643 1.00 0.00 H new ATOM 927 N GLU A 57 151.424 -0.191 8.559 1.00 0.00 N ATOM 928 CA GLU A 57 151.705 -0.513 7.168 1.00 0.00 C ATOM 929 C GLU A 57 150.427 -0.902 6.436 1.00 0.00 C ATOM 930 O GLU A 57 149.596 -1.641 6.964 1.00 0.00 O ATOM 931 CB GLU A 57 152.728 -1.647 7.078 1.00 0.00 C ATOM 932 CG GLU A 57 152.239 -2.959 7.670 1.00 0.00 C ATOM 933 CD GLU A 57 153.349 -3.743 8.341 1.00 0.00 C ATOM 934 OE1 GLU A 57 154.172 -4.342 7.617 1.00 0.00 O ATOM 935 OE2 GLU A 57 153.394 -3.758 9.589 1.00 0.00 O ATOM 0 H GLU A 57 151.218 -1.000 9.145 1.00 0.00 H new ATOM 0 HA GLU A 57 152.121 0.375 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 57 152.990 -1.806 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 57 153.640 -1.344 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 57 151.452 -2.755 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 57 151.795 -3.567 6.881 1.00 0.00 H new ATOM 942 N TYR A 58 150.274 -0.391 5.222 1.00 0.00 N ATOM 943 CA TYR A 58 149.096 -0.671 4.414 1.00 0.00 C ATOM 944 C TYR A 58 149.488 -1.227 3.048 1.00 0.00 C ATOM 945 O TYR A 58 149.990 -0.498 2.193 1.00 0.00 O ATOM 946 CB TYR A 58 148.278 0.610 4.237 1.00 0.00 C ATOM 947 CG TYR A 58 146.783 0.394 4.253 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.196 -0.614 3.499 1.00 0.00 C ATOM 949 CD2 TYR A 58 145.958 1.206 5.019 1.00 0.00 C ATOM 950 CE1 TYR A 58 144.828 -0.805 3.509 1.00 0.00 C ATOM 951 CE2 TYR A 58 144.589 1.022 5.033 1.00 0.00 C ATOM 952 CZ TYR A 58 144.029 0.015 4.277 1.00 0.00 C ATOM 953 OH TYR A 58 142.665 -0.169 4.289 1.00 0.00 O ATOM 0 H TYR A 58 150.955 0.222 4.774 1.00 0.00 H new ATOM 0 HA TYR A 58 148.496 -1.422 4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 58 148.542 1.309 5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 58 148.557 1.079 3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 58 146.819 -1.258 2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 58 146.394 1.995 5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 58 144.386 -1.593 2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 58 143.961 1.664 5.633 1.00 0.00 H new ATOM 0 HH TYR A 58 142.454 -1.069 3.965 1.00 0.00 H new ATOM 963 N GLN A 59 149.251 -2.518 2.850 1.00 0.00 N ATOM 964 CA GLN A 59 149.574 -3.167 1.585 1.00 0.00 C ATOM 965 C GLN A 59 148.313 -3.382 0.753 1.00 0.00 C ATOM 966 O GLN A 59 147.286 -3.819 1.272 1.00 0.00 O ATOM 967 CB GLN A 59 150.266 -4.508 1.838 1.00 0.00 C ATOM 968 CG GLN A 59 151.384 -4.429 2.865 1.00 0.00 C ATOM 969 CD GLN A 59 151.664 -5.765 3.524 1.00 0.00 C ATOM 970 OE1 GLN A 59 151.516 -6.820 2.906 1.00 0.00 O ATOM 971 NE2 GLN A 59 152.070 -5.728 4.788 1.00 0.00 N ATOM 0 H GLN A 59 148.837 -3.136 3.548 1.00 0.00 H new ATOM 0 HA GLN A 59 150.251 -2.517 1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 59 149.525 -5.233 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 59 150.673 -4.881 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 59 152.292 -4.069 2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 59 151.119 -3.699 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 59 152.179 -4.832 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 59 152.272 -6.596 5.284 1.00 0.00 H new ATOM 980 N LEU A 60 148.397 -3.068 -0.537 1.00 0.00 N ATOM 981 CA LEU A 60 147.263 -3.227 -1.430 1.00 0.00 C ATOM 982 C LEU A 60 147.715 -3.607 -2.838 1.00 0.00 C ATOM 983 O LEU A 60 148.837 -3.302 -3.240 1.00 0.00 O ATOM 984 CB LEU A 60 146.435 -1.940 -1.468 1.00 0.00 C ATOM 985 CG LEU A 60 144.939 -2.114 -1.203 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.264 -2.830 -2.362 1.00 0.00 C ATOM 987 CD2 LEU A 60 144.711 -2.860 0.103 1.00 0.00 C ATOM 0 H LEU A 60 149.239 -2.703 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 60 146.643 -4.038 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 60 146.839 -1.246 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 60 146.562 -1.475 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 60 144.490 -1.125 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 60 143.201 -2.942 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.393 -2.248 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.714 -3.814 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 60 143.641 -2.974 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.176 -3.844 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 60 145.152 -2.297 0.925 1.00 0.00 H new ATOM 999 N TYR A 61 146.834 -4.267 -3.591 1.00 0.00 N ATOM 1000 CA TYR A 61 147.148 -4.678 -4.951 1.00 0.00 C ATOM 1001 C TYR A 61 146.170 -4.038 -5.927 1.00 0.00 C ATOM 1002 O TYR A 61 144.979 -4.344 -5.918 1.00 0.00 O ATOM 1003 CB TYR A 61 147.095 -6.201 -5.068 1.00 0.00 C ATOM 1004 CG TYR A 61 148.451 -6.866 -4.998 1.00 0.00 C ATOM 1005 CD1 TYR A 61 149.018 -7.199 -3.775 1.00 0.00 C ATOM 1006 CD2 TYR A 61 149.160 -7.167 -6.154 1.00 0.00 C ATOM 1007 CE1 TYR A 61 150.255 -7.810 -3.703 1.00 0.00 C ATOM 1008 CE2 TYR A 61 150.399 -7.780 -6.091 1.00 0.00 C ATOM 1009 CZ TYR A 61 150.940 -8.098 -4.864 1.00 0.00 C ATOM 1010 OH TYR A 61 152.173 -8.708 -4.798 1.00 0.00 O ATOM 0 H TYR A 61 145.899 -4.526 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 61 148.157 -4.346 -5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 61 146.466 -6.596 -4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 61 146.618 -6.467 -6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 61 148.483 -6.976 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 61 148.738 -6.919 -7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 61 150.683 -8.060 -2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 61 150.939 -8.008 -6.998 1.00 0.00 H new ATOM 0 HH TYR A 61 152.521 -8.842 -5.704 1.00 0.00 H new ATOM 1020 N VAL A 62 146.673 -3.127 -6.747 1.00 0.00 N ATOM 1021 CA VAL A 62 145.834 -2.424 -7.703 1.00 0.00 C ATOM 1022 C VAL A 62 145.741 -3.155 -9.037 1.00 0.00 C ATOM 1023 O VAL A 62 146.659 -3.095 -9.852 1.00 0.00 O ATOM 1024 CB VAL A 62 146.363 -0.998 -7.957 1.00 0.00 C ATOM 1025 CG1 VAL A 62 145.378 -0.200 -8.798 1.00 0.00 C ATOM 1026 CG2 VAL A 62 146.653 -0.295 -6.639 1.00 0.00 C ATOM 0 H VAL A 62 147.657 -2.858 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 62 144.839 -2.379 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 62 147.297 -1.070 -8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 62 145.771 0.803 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 62 145.232 -0.697 -9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 62 144.424 -0.133 -8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 62 147.025 0.710 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 62 145.738 -0.233 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 62 147.404 -0.857 -6.084 1.00 0.00 H new ATOM 1036 N TYR A 63 144.615 -3.822 -9.269 1.00 0.00 N ATOM 1037 CA TYR A 63 144.407 -4.533 -10.525 1.00 0.00 C ATOM 1038 C TYR A 63 143.848 -3.571 -11.571 1.00 0.00 C ATOM 1039 O TYR A 63 142.647 -3.560 -11.842 1.00 0.00 O ATOM 1040 CB TYR A 63 143.457 -5.719 -10.331 1.00 0.00 C ATOM 1041 CG TYR A 63 143.770 -6.904 -11.220 1.00 0.00 C ATOM 1042 CD1 TYR A 63 144.312 -6.726 -12.488 1.00 0.00 C ATOM 1043 CD2 TYR A 63 143.518 -8.202 -10.792 1.00 0.00 C ATOM 1044 CE1 TYR A 63 144.594 -7.806 -13.302 1.00 0.00 C ATOM 1045 CE2 TYR A 63 143.797 -9.287 -11.601 1.00 0.00 C ATOM 1046 CZ TYR A 63 144.335 -9.084 -12.855 1.00 0.00 C ATOM 1047 OH TYR A 63 144.613 -10.162 -13.664 1.00 0.00 O ATOM 0 H TYR A 63 143.839 -3.885 -8.610 1.00 0.00 H new ATOM 0 HA TYR A 63 145.365 -4.923 -10.869 1.00 0.00 H new ATOM 0 HB2 TYR A 63 143.496 -6.038 -9.289 1.00 0.00 H new ATOM 0 HB3 TYR A 63 142.436 -5.390 -10.525 1.00 0.00 H new ATOM 0 HD1 TYR A 63 144.516 -5.726 -12.843 1.00 0.00 H new ATOM 0 HD2 TYR A 63 143.097 -8.365 -9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 63 145.015 -7.650 -14.284 1.00 0.00 H new ATOM 0 HE2 TYR A 63 143.595 -10.289 -11.253 1.00 0.00 H new ATOM 0 HH TYR A 63 144.373 -10.991 -13.199 1.00 0.00 H new ATOM 1057 N ALA A 64 144.729 -2.748 -12.135 1.00 0.00 N ATOM 1058 CA ALA A 64 144.326 -1.762 -13.132 1.00 0.00 C ATOM 1059 C ALA A 64 144.497 -2.282 -14.553 1.00 0.00 C ATOM 1060 O ALA A 64 144.894 -3.428 -14.766 1.00 0.00 O ATOM 1061 CB ALA A 64 145.117 -0.477 -12.944 1.00 0.00 C ATOM 0 H ALA A 64 145.726 -2.745 -11.918 1.00 0.00 H new ATOM 0 HA ALA A 64 143.265 -1.561 -12.985 1.00 0.00 H new ATOM 0 HB1 ALA A 64 144.809 0.253 -13.693 1.00 0.00 H new ATOM 0 HB2 ALA A 64 144.929 -0.076 -11.948 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.181 -0.685 -13.056 1.00 0.00 H new ATOM 1067 N SER A 65 144.196 -1.423 -15.525 1.00 0.00 N ATOM 1068 CA SER A 65 144.315 -1.784 -16.934 1.00 0.00 C ATOM 1069 C SER A 65 145.740 -2.216 -17.265 1.00 0.00 C ATOM 1070 O SER A 65 145.968 -2.955 -18.224 1.00 0.00 O ATOM 1071 CB SER A 65 143.911 -0.604 -17.821 1.00 0.00 C ATOM 1072 OG SER A 65 144.463 0.610 -17.341 1.00 0.00 O ATOM 0 H SER A 65 143.868 -0.471 -15.361 1.00 0.00 H new ATOM 0 HA SER A 65 143.644 -2.621 -17.126 1.00 0.00 H new ATOM 0 HB2 SER A 65 144.248 -0.781 -18.842 1.00 0.00 H new ATOM 0 HB3 SER A 65 142.824 -0.525 -17.853 1.00 0.00 H new ATOM 0 HG SER A 65 144.191 1.347 -17.927 1.00 0.00 H new ATOM 1078 N ASP A 66 146.695 -1.755 -16.463 1.00 0.00 N ATOM 1079 CA ASP A 66 148.091 -2.090 -16.665 1.00 0.00 C ATOM 1080 C ASP A 66 148.452 -3.411 -15.984 1.00 0.00 C ATOM 1081 O ASP A 66 149.624 -3.672 -15.716 1.00 0.00 O ATOM 1082 CB ASP A 66 148.987 -0.968 -16.138 1.00 0.00 C ATOM 1083 CG ASP A 66 150.153 -0.681 -17.061 1.00 0.00 C ATOM 1084 OD1 ASP A 66 150.865 -1.638 -17.434 1.00 0.00 O ATOM 1085 OD2 ASP A 66 150.356 0.501 -17.411 1.00 0.00 O ATOM 0 H ASP A 66 146.521 -1.145 -15.664 1.00 0.00 H new ATOM 0 HA ASP A 66 148.254 -2.206 -17.736 1.00 0.00 H new ATOM 0 HB2 ASP A 66 148.394 -0.062 -16.012 1.00 0.00 H new ATOM 0 HB3 ASP A 66 149.365 -1.241 -15.153 1.00 0.00 H new ATOM 1090 N LYS A 67 147.435 -4.234 -15.708 1.00 0.00 N ATOM 1091 CA LYS A 67 147.619 -5.535 -15.057 1.00 0.00 C ATOM 1092 C LYS A 67 147.589 -5.400 -13.540 1.00 0.00 C ATOM 1093 O LYS A 67 147.297 -4.329 -13.004 1.00 0.00 O ATOM 1094 CB LYS A 67 148.923 -6.210 -15.499 1.00 0.00 C ATOM 1095 CG LYS A 67 149.105 -6.255 -17.007 1.00 0.00 C ATOM 1096 CD LYS A 67 148.612 -7.573 -17.587 1.00 0.00 C ATOM 1097 CE LYS A 67 149.604 -8.150 -18.586 1.00 0.00 C ATOM 1098 NZ LYS A 67 149.989 -9.547 -18.244 1.00 0.00 N ATOM 0 H LYS A 67 146.463 -4.018 -15.929 1.00 0.00 H new ATOM 0 HA LYS A 67 146.787 -6.167 -15.368 1.00 0.00 H new ATOM 0 HB2 LYS A 67 149.765 -5.679 -15.056 1.00 0.00 H new ATOM 0 HB3 LYS A 67 148.946 -7.227 -15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 67 148.562 -5.428 -17.465 1.00 0.00 H new ATOM 0 HG3 LYS A 67 150.158 -6.119 -17.252 1.00 0.00 H new ATOM 0 HD2 LYS A 67 148.449 -8.288 -16.781 1.00 0.00 H new ATOM 0 HD3 LYS A 67 147.650 -7.419 -18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 67 149.168 -8.128 -19.585 1.00 0.00 H new ATOM 0 HE3 LYS A 67 150.496 -7.524 -18.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 150.666 -9.903 -18.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 150.429 -9.565 -17.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 149.142 -10.150 -18.242 1.00 0.00 H new ATOM 1112 N LEU A 68 147.880 -6.499 -12.854 1.00 0.00 N ATOM 1113 CA LEU A 68 147.875 -6.516 -11.396 1.00 0.00 C ATOM 1114 C LEU A 68 149.047 -5.726 -10.822 1.00 0.00 C ATOM 1115 O LEU A 68 150.188 -6.185 -10.842 1.00 0.00 O ATOM 1116 CB LEU A 68 147.920 -7.957 -10.882 1.00 0.00 C ATOM 1117 CG LEU A 68 148.938 -8.863 -11.579 1.00 0.00 C ATOM 1118 CD1 LEU A 68 149.666 -9.730 -10.566 1.00 0.00 C ATOM 1119 CD2 LEU A 68 148.248 -9.728 -12.627 1.00 0.00 C ATOM 0 H LEU A 68 148.123 -7.391 -13.285 1.00 0.00 H new ATOM 0 HA LEU A 68 146.952 -6.041 -11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 68 148.143 -7.939 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 68 146.929 -8.397 -10.993 1.00 0.00 H new ATOM 0 HG LEU A 68 149.674 -8.234 -12.080 1.00 0.00 H new ATOM 0 HD11 LEU A 68 150.385 -10.366 -11.082 1.00 0.00 H new ATOM 0 HD12 LEU A 68 150.190 -9.094 -9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 68 148.946 -10.353 -10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 68 148.985 -10.367 -13.114 1.00 0.00 H new ATOM 0 HD22 LEU A 68 147.491 -10.348 -12.146 1.00 0.00 H new ATOM 0 HD23 LEU A 68 147.774 -9.089 -13.371 1.00 0.00 H new ATOM 1131 N PHE A 69 148.750 -4.541 -10.296 1.00 0.00 N ATOM 1132 CA PHE A 69 149.771 -3.690 -9.698 1.00 0.00 C ATOM 1133 C PHE A 69 149.732 -3.823 -8.176 1.00 0.00 C ATOM 1134 O PHE A 69 149.079 -4.725 -7.650 1.00 0.00 O ATOM 1135 CB PHE A 69 149.562 -2.230 -10.118 1.00 0.00 C ATOM 1136 CG PHE A 69 150.229 -1.872 -11.420 1.00 0.00 C ATOM 1137 CD1 PHE A 69 150.487 -2.842 -12.378 1.00 0.00 C ATOM 1138 CD2 PHE A 69 150.595 -0.562 -11.686 1.00 0.00 C ATOM 1139 CE1 PHE A 69 151.098 -2.511 -13.573 1.00 0.00 C ATOM 1140 CE2 PHE A 69 151.206 -0.226 -12.879 1.00 0.00 C ATOM 1141 CZ PHE A 69 151.457 -1.202 -13.825 1.00 0.00 C ATOM 0 H PHE A 69 147.809 -4.149 -10.272 1.00 0.00 H new ATOM 0 HA PHE A 69 150.751 -4.010 -10.052 1.00 0.00 H new ATOM 0 HB2 PHE A 69 148.493 -2.035 -10.202 1.00 0.00 H new ATOM 0 HB3 PHE A 69 149.944 -1.577 -9.333 1.00 0.00 H new ATOM 0 HD1 PHE A 69 150.207 -3.868 -12.188 1.00 0.00 H new ATOM 0 HD2 PHE A 69 150.400 0.206 -10.952 1.00 0.00 H new ATOM 0 HE1 PHE A 69 151.294 -3.276 -14.309 1.00 0.00 H new ATOM 0 HE2 PHE A 69 151.487 0.799 -13.072 1.00 0.00 H new ATOM 0 HZ PHE A 69 151.933 -0.941 -14.759 1.00 0.00 H new ATOM 1151 N ARG A 70 150.426 -2.938 -7.469 1.00 0.00 N ATOM 1152 CA ARG A 70 150.447 -2.995 -6.017 1.00 0.00 C ATOM 1153 C ARG A 70 151.159 -1.788 -5.416 1.00 0.00 C ATOM 1154 O ARG A 70 152.199 -1.361 -5.911 1.00 0.00 O ATOM 1155 CB ARG A 70 151.125 -4.288 -5.556 1.00 0.00 C ATOM 1156 CG ARG A 70 151.208 -4.440 -4.046 1.00 0.00 C ATOM 1157 CD ARG A 70 152.361 -5.347 -3.639 1.00 0.00 C ATOM 1158 NE ARG A 70 153.388 -4.629 -2.887 1.00 0.00 N ATOM 1159 CZ ARG A 70 154.620 -5.093 -2.689 1.00 0.00 C ATOM 1160 NH1 ARG A 70 154.984 -6.267 -3.191 1.00 0.00 N ATOM 1161 NH2 ARG A 70 155.492 -4.380 -1.988 1.00 0.00 N ATOM 0 H ARG A 70 150.976 -2.181 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 70 149.415 -2.979 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 70 150.580 -5.138 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 70 152.133 -4.325 -5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 70 151.335 -3.460 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 70 150.271 -4.849 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 70 151.978 -6.169 -3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 70 152.807 -5.787 -4.531 1.00 0.00 H new ATOM 0 HE ARG A 70 153.147 -3.720 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 70 154.318 -6.819 -3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 70 155.929 -6.617 -3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 70 155.218 -3.477 -1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 70 156.436 -4.735 -1.836 1.00 0.00 H new ATOM 1175 N ALA A 71 150.592 -1.259 -4.334 1.00 0.00 N ATOM 1176 CA ALA A 71 151.164 -0.113 -3.635 1.00 0.00 C ATOM 1177 C ALA A 71 151.381 -0.465 -2.169 1.00 0.00 C ATOM 1178 O ALA A 71 150.487 -1.025 -1.534 1.00 0.00 O ATOM 1179 CB ALA A 71 150.252 1.097 -3.764 1.00 0.00 C ATOM 0 H ALA A 71 149.729 -1.611 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 71 152.124 0.137 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 71 150.693 1.943 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.129 1.349 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.279 0.867 -3.330 1.00 0.00 H new ATOM 1185 N ASP A 72 152.559 -0.159 -1.619 1.00 0.00 N ATOM 1186 CA ASP A 72 152.817 -0.486 -0.224 1.00 0.00 C ATOM 1187 C ASP A 72 153.026 0.772 0.604 1.00 0.00 C ATOM 1188 O ASP A 72 153.969 1.531 0.376 1.00 0.00 O ATOM 1189 CB ASP A 72 154.035 -1.405 -0.099 1.00 0.00 C ATOM 1190 CG ASP A 72 153.850 -2.470 0.962 1.00 0.00 C ATOM 1191 OD1 ASP A 72 153.963 -2.141 2.161 1.00 0.00 O ATOM 1192 OD2 ASP A 72 153.591 -3.635 0.594 1.00 0.00 O ATOM 0 H ASP A 72 153.327 0.302 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 72 151.942 -1.009 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.226 -1.883 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 72 154.915 -0.807 0.140 1.00 0.00 H new ATOM 1197 N ILE A 73 152.140 0.983 1.566 1.00 0.00 N ATOM 1198 CA ILE A 73 152.227 2.143 2.438 1.00 0.00 C ATOM 1199 C ILE A 73 152.786 1.751 3.796 1.00 0.00 C ATOM 1200 O ILE A 73 152.404 0.733 4.368 1.00 0.00 O ATOM 1201 CB ILE A 73 150.855 2.813 2.634 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.230 3.156 1.283 1.00 0.00 C ATOM 1203 CG2 ILE A 73 150.993 4.067 3.489 1.00 0.00 C ATOM 1204 CD1 ILE A 73 148.790 3.608 1.383 1.00 0.00 C ATOM 0 H ILE A 73 151.352 0.365 1.762 1.00 0.00 H new ATOM 0 HA ILE A 73 152.896 2.855 1.955 1.00 0.00 H new ATOM 0 HB ILE A 73 150.199 2.112 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 73 150.817 3.942 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 73 150.284 2.282 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 73 150.014 4.529 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 73 151.400 3.799 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 73 151.664 4.771 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 73 148.410 3.835 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 73 148.190 2.815 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 73 148.731 4.501 2.006 1.00 0.00 H new ATOM 1216 N SER A 74 153.689 2.569 4.306 1.00 0.00 N ATOM 1217 CA SER A 74 154.301 2.319 5.601 1.00 0.00 C ATOM 1218 C SER A 74 154.481 3.628 6.349 1.00 0.00 C ATOM 1219 O SER A 74 154.909 4.624 5.768 1.00 0.00 O ATOM 1220 CB SER A 74 155.651 1.620 5.428 1.00 0.00 C ATOM 1221 OG SER A 74 156.651 2.537 5.018 1.00 0.00 O ATOM 0 H SER A 74 154.017 3.416 3.842 1.00 0.00 H new ATOM 0 HA SER A 74 153.646 1.667 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 74 155.945 1.152 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.560 0.823 4.690 1.00 0.00 H new ATOM 0 HG SER A 74 157.505 2.066 4.916 1.00 0.00 H new ATOM 1227 N GLU A 75 154.149 3.629 7.633 1.00 0.00 N ATOM 1228 CA GLU A 75 154.276 4.828 8.446 1.00 0.00 C ATOM 1229 C GLU A 75 154.871 4.472 9.799 1.00 0.00 C ATOM 1230 O GLU A 75 154.189 4.552 10.817 1.00 0.00 O ATOM 1231 CB GLU A 75 152.911 5.501 8.631 1.00 0.00 C ATOM 1232 CG GLU A 75 151.988 5.364 7.427 1.00 0.00 C ATOM 1233 CD GLU A 75 151.146 6.603 7.193 1.00 0.00 C ATOM 1234 OE1 GLU A 75 150.980 7.398 8.143 1.00 0.00 O ATOM 1235 OE2 GLU A 75 150.652 6.779 6.060 1.00 0.00 O ATOM 0 H GLU A 75 153.791 2.815 8.132 1.00 0.00 H new ATOM 0 HA GLU A 75 154.938 5.528 7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 75 152.420 5.071 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 75 153.064 6.560 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 75 152.585 5.162 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 75 151.332 4.506 7.573 1.00 0.00 H new ATOM 1242 N ASP A 76 156.138 4.066 9.808 1.00 0.00 N ATOM 1243 CA ASP A 76 156.791 3.683 11.043 1.00 0.00 C ATOM 1244 C ASP A 76 157.617 4.830 11.603 1.00 0.00 C ATOM 1245 O ASP A 76 157.551 5.955 11.105 1.00 0.00 O ATOM 1246 CB ASP A 76 157.656 2.435 10.839 1.00 0.00 C ATOM 1247 CG ASP A 76 157.091 1.215 11.539 1.00 0.00 C ATOM 1248 OD1 ASP A 76 156.267 0.505 10.923 1.00 0.00 O ATOM 1249 OD2 ASP A 76 157.472 0.968 12.703 1.00 0.00 O ATOM 0 H ASP A 76 156.724 3.996 8.976 1.00 0.00 H new ATOM 0 HA ASP A 76 156.016 3.442 11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 76 157.745 2.229 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 76 158.662 2.630 11.211 1.00 0.00 H new ATOM 1254 N TYR A 77 158.373 4.549 12.655 1.00 0.00 N ATOM 1255 CA TYR A 77 159.183 5.580 13.290 1.00 0.00 C ATOM 1256 C TYR A 77 160.400 5.004 14.010 1.00 0.00 C ATOM 1257 O TYR A 77 161.406 5.692 14.183 1.00 0.00 O ATOM 1258 CB TYR A 77 158.309 6.363 14.263 1.00 0.00 C ATOM 1259 CG TYR A 77 157.084 6.953 13.605 1.00 0.00 C ATOM 1260 CD1 TYR A 77 157.130 8.206 13.010 1.00 0.00 C ATOM 1261 CD2 TYR A 77 155.883 6.256 13.575 1.00 0.00 C ATOM 1262 CE1 TYR A 77 156.015 8.750 12.405 1.00 0.00 C ATOM 1263 CE2 TYR A 77 154.761 6.792 12.971 1.00 0.00 C ATOM 1264 CZ TYR A 77 154.833 8.041 12.389 1.00 0.00 C ATOM 1265 OH TYR A 77 153.719 8.579 11.786 1.00 0.00 O ATOM 0 H TYR A 77 158.443 3.626 13.084 1.00 0.00 H new ATOM 0 HA TYR A 77 159.567 6.240 12.512 1.00 0.00 H new ATOM 0 HB2 TYR A 77 157.999 5.706 15.075 1.00 0.00 H new ATOM 0 HB3 TYR A 77 158.898 7.165 14.709 1.00 0.00 H new ATOM 0 HD1 TYR A 77 158.054 8.765 13.021 1.00 0.00 H new ATOM 0 HD2 TYR A 77 155.825 5.279 14.031 1.00 0.00 H new ATOM 0 HE1 TYR A 77 156.068 9.726 11.946 1.00 0.00 H new ATOM 0 HE2 TYR A 77 153.835 6.237 12.955 1.00 0.00 H new ATOM 0 HH TYR A 77 152.971 7.951 11.862 1.00 0.00 H new ATOM 1275 N LYS A 78 160.320 3.739 14.411 1.00 0.00 N ATOM 1276 CA LYS A 78 161.433 3.090 15.090 1.00 0.00 C ATOM 1277 C LYS A 78 162.591 2.935 14.116 1.00 0.00 C ATOM 1278 O LYS A 78 163.757 3.097 14.473 1.00 0.00 O ATOM 1279 CB LYS A 78 161.012 1.723 15.632 1.00 0.00 C ATOM 1280 CG LYS A 78 162.131 0.975 16.337 1.00 0.00 C ATOM 1281 CD LYS A 78 161.825 -0.510 16.451 1.00 0.00 C ATOM 1282 CE LYS A 78 162.394 -1.097 17.732 1.00 0.00 C ATOM 1283 NZ LYS A 78 161.489 -2.125 18.320 1.00 0.00 N ATOM 0 H LYS A 78 159.500 3.147 14.278 1.00 0.00 H new ATOM 0 HA LYS A 78 161.745 3.706 15.933 1.00 0.00 H new ATOM 0 HB2 LYS A 78 160.183 1.857 16.326 1.00 0.00 H new ATOM 0 HB3 LYS A 78 160.642 1.113 14.808 1.00 0.00 H new ATOM 0 HG2 LYS A 78 163.064 1.114 15.790 1.00 0.00 H new ATOM 0 HG3 LYS A 78 162.279 1.394 17.332 1.00 0.00 H new ATOM 0 HD2 LYS A 78 160.746 -0.664 16.427 1.00 0.00 H new ATOM 0 HD3 LYS A 78 162.241 -1.036 15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 78 163.367 -1.544 17.526 1.00 0.00 H new ATOM 0 HE3 LYS A 78 162.557 -0.299 18.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 161.912 -2.502 19.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 160.569 -1.693 18.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 161.354 -2.899 17.639 1.00 0.00 H new ATOM 1297 N THR A 79 162.238 2.637 12.875 1.00 0.00 N ATOM 1298 CA THR A 79 163.208 2.475 11.806 1.00 0.00 C ATOM 1299 C THR A 79 162.635 3.012 10.498 1.00 0.00 C ATOM 1300 O THR A 79 163.105 2.669 9.413 1.00 0.00 O ATOM 1301 CB THR A 79 163.587 1.003 11.647 1.00 0.00 C ATOM 1302 OG1 THR A 79 162.491 0.165 11.973 1.00 0.00 O ATOM 1303 CG2 THR A 79 164.755 0.589 12.515 1.00 0.00 C ATOM 0 H THR A 79 161.271 2.501 12.582 1.00 0.00 H new ATOM 0 HA THR A 79 164.106 3.039 12.060 1.00 0.00 H new ATOM 0 HB THR A 79 163.874 0.890 10.602 1.00 0.00 H new ATOM 0 HG1 THR A 79 162.753 -0.773 11.863 1.00 0.00 H new ATOM 0 HG21 THR A 79 164.972 -0.467 12.354 1.00 0.00 H new ATOM 0 HG22 THR A 79 165.631 1.183 12.254 1.00 0.00 H new ATOM 0 HG23 THR A 79 164.505 0.752 13.563 1.00 0.00 H new ATOM 1311 N ARG A 80 161.604 3.853 10.610 1.00 0.00 N ATOM 1312 CA ARG A 80 160.959 4.429 9.448 1.00 0.00 C ATOM 1313 C ARG A 80 160.463 5.842 9.718 1.00 0.00 C ATOM 1314 O ARG A 80 160.814 6.470 10.716 1.00 0.00 O ATOM 1315 CB ARG A 80 159.772 3.572 9.018 1.00 0.00 C ATOM 1316 CG ARG A 80 160.062 2.078 9.007 1.00 0.00 C ATOM 1317 CD ARG A 80 159.198 1.352 7.987 1.00 0.00 C ATOM 1318 NE ARG A 80 158.659 0.101 8.516 1.00 0.00 N ATOM 1319 CZ ARG A 80 159.329 -1.049 8.533 1.00 0.00 C ATOM 1320 NH1 ARG A 80 160.569 -1.111 8.061 1.00 0.00 N ATOM 1321 NH2 ARG A 80 158.759 -2.141 9.024 1.00 0.00 N ATOM 0 H ARG A 80 161.203 4.146 11.501 1.00 0.00 H new ATOM 0 HA ARG A 80 161.707 4.464 8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 80 158.935 3.765 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 80 159.458 3.879 8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 80 161.115 1.912 8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 80 159.882 1.664 9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 80 158.376 2.000 7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 80 159.788 1.144 7.095 1.00 0.00 H new ATOM 0 HE ARG A 80 157.712 0.110 8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 80 161.013 -0.274 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 80 161.077 -1.995 8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 80 157.807 -2.100 9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 80 159.272 -3.022 9.037 1.00 0.00 H new ATOM 1335 N GLY A 81 159.616 6.308 8.814 1.00 0.00 N ATOM 1336 CA GLY A 81 159.016 7.614 8.923 1.00 0.00 C ATOM 1337 C GLY A 81 157.573 7.536 8.497 1.00 0.00 C ATOM 1338 O GLY A 81 156.672 7.516 9.337 1.00 0.00 O ATOM 0 H GLY A 81 159.330 5.786 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 81 159.085 7.974 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 81 159.554 8.327 8.298 1.00 0.00 H new ATOM 1342 N ARG A 82 157.361 7.437 7.183 1.00 0.00 N ATOM 1343 CA ARG A 82 156.021 7.305 6.617 1.00 0.00 C ATOM 1344 C ARG A 82 155.982 7.775 5.170 1.00 0.00 C ATOM 1345 O ARG A 82 156.499 8.843 4.835 1.00 0.00 O ATOM 1346 CB ARG A 82 154.991 8.065 7.462 1.00 0.00 C ATOM 1347 CG ARG A 82 153.697 8.395 6.730 1.00 0.00 C ATOM 1348 CD ARG A 82 153.749 9.778 6.101 1.00 0.00 C ATOM 1349 NE ARG A 82 152.459 10.171 5.537 1.00 0.00 N ATOM 1350 CZ ARG A 82 151.390 10.472 6.271 1.00 0.00 C ATOM 1351 NH1 ARG A 82 151.452 10.429 7.596 1.00 0.00 N ATOM 1352 NH2 ARG A 82 150.256 10.818 5.677 1.00 0.00 N ATOM 0 H ARG A 82 158.108 7.446 6.488 1.00 0.00 H new ATOM 0 HA ARG A 82 155.760 6.247 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 82 154.754 7.471 8.344 1.00 0.00 H new ATOM 0 HB3 ARG A 82 155.442 8.993 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 82 153.515 7.649 5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 82 152.860 8.342 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 82 154.054 10.507 6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 82 154.507 9.792 5.318 1.00 0.00 H new ATOM 0 HE ARG A 82 152.373 10.217 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 82 152.322 10.164 8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 82 150.629 10.661 8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 82 150.204 10.853 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 82 149.436 11.049 6.238 1.00 0.00 H new ATOM 1366 N LYS A 83 155.360 6.966 4.313 1.00 0.00 N ATOM 1367 CA LYS A 83 155.244 7.297 2.891 1.00 0.00 C ATOM 1368 C LYS A 83 154.717 6.125 2.062 1.00 0.00 C ATOM 1369 O LYS A 83 154.908 4.961 2.411 1.00 0.00 O ATOM 1370 CB LYS A 83 156.600 7.743 2.332 1.00 0.00 C ATOM 1371 CG LYS A 83 157.768 6.899 2.816 1.00 0.00 C ATOM 1372 CD LYS A 83 158.771 6.642 1.702 1.00 0.00 C ATOM 1373 CE LYS A 83 159.957 7.591 1.790 1.00 0.00 C ATOM 1374 NZ LYS A 83 160.972 7.309 0.737 1.00 0.00 N ATOM 0 H LYS A 83 154.930 6.079 4.576 1.00 0.00 H new ATOM 0 HA LYS A 83 154.524 8.112 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 83 156.564 7.707 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 83 156.774 8.782 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 83 158.265 7.404 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 83 157.397 5.948 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 83 159.123 5.612 1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 83 158.281 6.759 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 83 159.608 8.619 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 83 160.420 7.504 2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 161.764 7.977 0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 161.324 6.336 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 160.538 7.417 -0.202 1.00 0.00 H new ATOM 1388 N LEU A 84 154.078 6.462 0.941 1.00 0.00 N ATOM 1389 CA LEU A 84 153.541 5.470 0.010 1.00 0.00 C ATOM 1390 C LEU A 84 154.464 5.396 -1.200 1.00 0.00 C ATOM 1391 O LEU A 84 154.962 6.425 -1.657 1.00 0.00 O ATOM 1392 CB LEU A 84 152.121 5.848 -0.425 1.00 0.00 C ATOM 1393 CG LEU A 84 151.278 6.561 0.637 1.00 0.00 C ATOM 1394 CD1 LEU A 84 151.601 8.047 0.665 1.00 0.00 C ATOM 1395 CD2 LEU A 84 149.796 6.344 0.374 1.00 0.00 C ATOM 0 H LEU A 84 153.919 7.428 0.654 1.00 0.00 H new ATOM 0 HA LEU A 84 153.490 4.498 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 84 152.187 6.490 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 84 151.599 4.941 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 84 151.521 6.137 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 84 150.993 8.537 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 84 152.656 8.186 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 84 151.386 8.485 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 84 149.212 6.857 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 84 149.539 6.742 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 84 149.574 5.277 0.403 1.00 0.00 H new ATOM 1407 N LEU A 85 154.748 4.191 -1.697 1.00 0.00 N ATOM 1408 CA LEU A 85 155.678 4.073 -2.816 1.00 0.00 C ATOM 1409 C LEU A 85 155.507 2.786 -3.629 1.00 0.00 C ATOM 1410 O LEU A 85 155.011 2.825 -4.752 1.00 0.00 O ATOM 1411 CB LEU A 85 157.106 4.144 -2.275 1.00 0.00 C ATOM 1412 CG LEU A 85 157.279 3.606 -0.851 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.703 3.124 -0.632 1.00 0.00 C ATOM 1414 CD2 LEU A 85 156.918 4.672 0.172 1.00 0.00 C ATOM 0 H LEU A 85 154.361 3.311 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 85 155.464 4.896 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 85 157.761 3.584 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.438 5.182 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 85 156.603 2.760 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 85 158.807 2.746 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 85 158.931 2.328 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.395 3.953 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 85 157.047 4.270 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 85 157.568 5.537 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 85 155.880 4.973 0.033 1.00 0.00 H new ATOM 1426 N ARG A 86 155.963 1.665 -3.062 1.00 0.00 N ATOM 1427 CA ARG A 86 155.924 0.350 -3.718 1.00 0.00 C ATOM 1428 C ARG A 86 154.847 0.253 -4.791 1.00 0.00 C ATOM 1429 O ARG A 86 153.761 -0.250 -4.538 1.00 0.00 O ATOM 1430 CB ARG A 86 155.711 -0.744 -2.673 1.00 0.00 C ATOM 1431 CG ARG A 86 157.003 -1.377 -2.183 1.00 0.00 C ATOM 1432 CD ARG A 86 157.401 -2.569 -3.038 1.00 0.00 C ATOM 1433 NE ARG A 86 158.413 -2.216 -4.031 1.00 0.00 N ATOM 1434 CZ ARG A 86 159.192 -3.105 -4.643 1.00 0.00 C ATOM 1435 NH1 ARG A 86 159.079 -4.399 -4.368 1.00 0.00 N ATOM 1436 NH2 ARG A 86 160.088 -2.700 -5.534 1.00 0.00 N ATOM 0 H ARG A 86 156.373 1.642 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 86 156.884 0.216 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 86 155.177 -0.322 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 86 155.074 -1.520 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 157.801 -0.635 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 86 156.883 -1.695 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 86 157.783 -3.363 -2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 86 156.519 -2.964 -3.543 1.00 0.00 H new ATOM 0 HE ARG A 86 158.529 -1.231 -4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 86 158.392 -4.717 -3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 86 159.679 -5.075 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 86 160.180 -1.707 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 86 160.685 -3.381 -6.003 1.00 0.00 H new ATOM 1450 N PHE A 87 155.164 0.726 -5.994 1.00 0.00 N ATOM 1451 CA PHE A 87 154.219 0.681 -7.103 1.00 0.00 C ATOM 1452 C PHE A 87 154.684 -0.299 -8.173 1.00 0.00 C ATOM 1453 O PHE A 87 155.342 0.084 -9.140 1.00 0.00 O ATOM 1454 CB PHE A 87 154.040 2.075 -7.709 1.00 0.00 C ATOM 1455 CG PHE A 87 152.605 2.427 -7.980 1.00 0.00 C ATOM 1456 CD1 PHE A 87 152.010 2.084 -9.182 1.00 0.00 C ATOM 1457 CD2 PHE A 87 151.852 3.098 -7.030 1.00 0.00 C ATOM 1458 CE1 PHE A 87 150.689 2.403 -9.434 1.00 0.00 C ATOM 1459 CE2 PHE A 87 150.530 3.419 -7.275 1.00 0.00 C ATOM 1460 CZ PHE A 87 149.948 3.072 -8.479 1.00 0.00 C ATOM 0 H PHE A 87 156.066 1.143 -6.224 1.00 0.00 H new ATOM 0 HA PHE A 87 153.259 0.339 -6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 87 154.466 2.815 -7.032 1.00 0.00 H new ATOM 0 HB3 PHE A 87 154.603 2.133 -8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 87 152.585 1.561 -9.932 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.303 3.373 -6.088 1.00 0.00 H new ATOM 0 HE1 PHE A 87 150.237 2.130 -10.376 1.00 0.00 H new ATOM 0 HE2 PHE A 87 149.953 3.941 -6.526 1.00 0.00 H new ATOM 0 HZ PHE A 87 148.916 3.323 -8.673 1.00 0.00 H new ATOM 1470 N ASN A 88 154.336 -1.569 -7.992 1.00 0.00 N ATOM 1471 CA ASN A 88 154.716 -2.609 -8.940 1.00 0.00 C ATOM 1472 C ASN A 88 153.763 -3.798 -8.852 1.00 0.00 C ATOM 1473 O ASN A 88 152.818 -3.789 -8.063 1.00 0.00 O ATOM 1474 CB ASN A 88 156.152 -3.066 -8.676 1.00 0.00 C ATOM 1475 CG ASN A 88 157.002 -3.059 -9.932 1.00 0.00 C ATOM 1476 OD1 ASN A 88 156.766 -2.273 -10.850 1.00 0.00 O ATOM 1477 ND2 ASN A 88 157.998 -3.935 -9.977 1.00 0.00 N ATOM 0 H ASN A 88 153.791 -1.902 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 88 154.655 -2.193 -9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 88 156.606 -2.414 -7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 88 156.139 -4.071 -8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 88 158.605 -3.976 -10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 88 158.157 -4.568 -9.193 1.00 0.00 H new ATOM 1484 N GLY A 89 154.020 -4.818 -9.662 1.00 0.00 N ATOM 1485 CA GLY A 89 153.174 -5.998 -9.655 1.00 0.00 C ATOM 1486 C GLY A 89 153.751 -7.134 -10.478 1.00 0.00 C ATOM 1487 O GLY A 89 153.269 -7.411 -11.578 1.00 0.00 O ATOM 0 H GLY A 89 154.797 -4.850 -10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 89 153.033 -6.334 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 89 152.189 -5.737 -10.043 1.00 0.00 H new ATOM 1491 N PRO A 90 154.791 -7.817 -9.971 1.00 0.00 N ATOM 1492 CA PRO A 90 155.424 -8.934 -10.679 1.00 0.00 C ATOM 1493 C PRO A 90 154.415 -9.996 -11.102 1.00 0.00 C ATOM 1494 O PRO A 90 153.217 -9.859 -10.860 1.00 0.00 O ATOM 1495 CB PRO A 90 156.401 -9.504 -9.648 1.00 0.00 C ATOM 1496 CG PRO A 90 156.691 -8.368 -8.730 1.00 0.00 C ATOM 1497 CD PRO A 90 155.429 -7.554 -8.668 1.00 0.00 C ATOM 0 HA PRO A 90 155.903 -8.611 -11.604 1.00 0.00 H new ATOM 0 HB2 PRO A 90 155.963 -10.345 -9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 90 157.311 -9.869 -10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 90 156.972 -8.728 -7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 90 157.524 -7.770 -9.100 1.00 0.00 H new ATOM 0 HD2 PRO A 90 154.792 -7.862 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 90 155.641 -6.494 -8.531 1.00 0.00 H new ATOM 1505 N VAL A 91 154.908 -11.056 -11.735 1.00 0.00 N ATOM 1506 CA VAL A 91 154.050 -12.142 -12.191 1.00 0.00 C ATOM 1507 C VAL A 91 153.993 -13.265 -11.162 1.00 0.00 C ATOM 1508 O VAL A 91 153.298 -14.271 -11.422 1.00 0.00 O ATOM 1509 CB VAL A 91 154.532 -12.717 -13.535 1.00 0.00 C ATOM 1510 CG1 VAL A 91 154.243 -11.744 -14.669 1.00 0.00 C ATOM 1511 CG2 VAL A 91 156.015 -13.050 -13.475 1.00 0.00 C ATOM 1512 OXT VAL A 91 154.645 -13.133 -10.106 1.00 0.00 O ATOM 0 H VAL A 91 155.898 -11.185 -11.944 1.00 0.00 H new ATOM 0 HA VAL A 91 153.053 -11.721 -12.323 1.00 0.00 H new ATOM 0 HB VAL A 91 153.984 -13.639 -13.729 1.00 0.00 H new ATOM 0 HG11 VAL A 91 154.591 -12.169 -15.611 1.00 0.00 H new ATOM 0 HG12 VAL A 91 153.170 -11.562 -14.728 1.00 0.00 H new ATOM 0 HG13 VAL A 91 154.761 -10.803 -14.482 1.00 0.00 H new ATOM 0 HG21 VAL A 91 156.336 -13.455 -14.435 1.00 0.00 H new ATOM 0 HG22 VAL A 91 156.582 -12.146 -13.255 1.00 0.00 H new ATOM 0 HG23 VAL A 91 156.191 -13.788 -12.693 1.00 0.00 H new TER 1522 VAL A 91