USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 938 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 73 GLN : amide:sc= -14! C(o=-26!,f=-22!) USER MOD Set 1.2: A 118 ASN : amide:sc= -12.3! C(o=-26!,f=-28!) USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 GLN : amide:sc= -7.95! C(o=-13!,f=-6.9!) USER MOD Set 3.2: A 62 GLN : amide:sc= -4.77! C(o=-13!,f=-6.9!) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= -3.89! USER MOD Set 4.2: A 8 SER OG : rot 133:sc= -5.31! USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= -1.93 (180deg=-1.96) USER MOD Single : A 20 SER OG : rot 180:sc= -0.41 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0948) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.401 K(o=-0.4,f=-3.7!) USER MOD Single : A 43 SER OG : rot 130:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.22) USER MOD Single : A 49 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.34) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -4.65! C(o=-4.7!,f=-7.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 0.0355 (180deg=-0.122) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= -0.0249 (180deg=-0.298) USER MOD Single : A 71 SER OG : rot -150:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -21:sc= 0.391 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -5.2! C(o=-5.2!,f=-3.6!) USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= -0.266 (180deg=-1.56!) USER MOD Single : A 90 MET CE :methyl 156:sc= -2.84! (180deg=-3.85!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 97 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.176) USER MOD Single : A 98 LYS NZ :NH3+ 139:sc= -0.984 (180deg=-3.74!) USER MOD Single : A 101 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.1!) USER MOD Single : A 104 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.86! C(o=-5.9!,f=-3.6!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.339 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 112 SER OG : rot 180:sc= -0.129 USER MOD Single : A 116 GLN : amide:sc= -3.03! C(o=-3!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 10.445 -14.934 -5.667 1.00 0.00 N ATOM 83 CA THR A 7 10.698 -14.732 -4.202 1.00 0.00 C ATOM 84 C THR A 7 11.573 -13.471 -4.028 1.00 0.00 C ATOM 85 O THR A 7 12.418 -13.233 -4.854 1.00 0.00 O ATOM 86 CB THR A 7 11.306 -16.022 -3.584 1.00 0.00 C ATOM 87 OG1 THR A 7 12.221 -15.661 -2.560 1.00 0.00 O ATOM 88 CG2 THR A 7 12.068 -16.846 -4.638 1.00 0.00 C ATOM 0 HA THR A 7 9.772 -14.558 -3.655 1.00 0.00 H new ATOM 0 HB THR A 7 10.487 -16.623 -3.189 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.607 -16.471 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.480 -17.741 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.385 -17.135 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.879 -16.246 -5.052 1.00 0.00 H new ATOM 96 N SER A 8 11.517 -12.726 -2.919 1.00 0.00 N ATOM 97 CA SER A 8 10.510 -12.929 -1.820 1.00 0.00 C ATOM 98 C SER A 8 10.570 -11.675 -0.976 1.00 0.00 C ATOM 99 O SER A 8 11.615 -11.217 -0.568 1.00 0.00 O ATOM 100 CB SER A 8 10.862 -14.170 -0.988 1.00 0.00 C ATOM 101 OG SER A 8 10.177 -15.306 -1.498 1.00 0.00 O ATOM 0 H SER A 8 12.162 -11.957 -2.738 1.00 0.00 H new ATOM 0 HA SER A 8 9.508 -13.095 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.938 -14.342 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.589 -14.008 0.055 1.00 0.00 H new ATOM 0 HG SER A 8 10.805 -16.053 -1.589 1.00 0.00 H new ATOM 107 N TRP A 9 9.418 -11.246 -0.576 1.00 0.00 N ATOM 108 CA TRP A 9 9.269 -10.174 0.380 1.00 0.00 C ATOM 109 C TRP A 9 7.765 -10.073 0.533 1.00 0.00 C ATOM 110 O TRP A 9 7.051 -10.042 -0.418 1.00 0.00 O ATOM 111 CB TRP A 9 9.978 -8.891 -0.139 1.00 0.00 C ATOM 112 CG TRP A 9 9.168 -8.381 -1.310 1.00 0.00 C ATOM 113 CD1 TRP A 9 8.895 -9.124 -2.392 1.00 0.00 C ATOM 114 CD2 TRP A 9 8.512 -7.098 -1.535 1.00 0.00 C ATOM 115 NE1 TRP A 9 8.066 -8.446 -3.246 1.00 0.00 N ATOM 116 CE2 TRP A 9 7.818 -7.165 -2.787 1.00 0.00 C ATOM 117 CE3 TRP A 9 8.438 -5.895 -0.795 1.00 0.00 C ATOM 118 CZ2 TRP A 9 7.081 -6.078 -3.273 1.00 0.00 C ATOM 119 CZ3 TRP A 9 7.699 -4.797 -1.288 1.00 0.00 C ATOM 120 CH2 TRP A 9 7.024 -4.887 -2.523 1.00 0.00 C ATOM 0 H TRP A 9 8.532 -11.631 -0.904 1.00 0.00 H new ATOM 0 HA TRP A 9 9.739 -10.336 1.350 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.036 -8.138 0.647 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.001 -9.112 -0.445 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.276 -10.119 -2.566 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.682 -8.835 -4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.950 -5.815 0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.560 -6.152 -4.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 7.651 -3.883 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.463 -4.042 -2.894 1.00 0.00 H new ATOM 131 N ASP A 10 7.276 -10.027 1.732 1.00 0.00 N ATOM 132 CA ASP A 10 5.804 -9.966 1.907 1.00 0.00 C ATOM 133 C ASP A 10 5.359 -8.529 2.118 1.00 0.00 C ATOM 134 O ASP A 10 5.728 -7.911 3.095 1.00 0.00 O ATOM 135 CB ASP A 10 5.390 -10.907 3.084 1.00 0.00 C ATOM 136 CG ASP A 10 3.867 -11.186 3.177 1.00 0.00 C ATOM 137 OD1 ASP A 10 3.074 -10.355 2.765 1.00 0.00 O ATOM 138 OD2 ASP A 10 3.526 -12.270 3.616 1.00 0.00 O ATOM 0 H ASP A 10 7.824 -10.029 2.593 1.00 0.00 H new ATOM 0 HA ASP A 10 5.299 -10.318 1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.915 -11.856 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.724 -10.463 4.022 1.00 0.00 H new ATOM 143 N PHE A 11 4.526 -8.002 1.283 1.00 0.00 N ATOM 144 CA PHE A 11 4.063 -6.605 1.562 1.00 0.00 C ATOM 145 C PHE A 11 2.538 -6.589 1.337 1.00 0.00 C ATOM 146 O PHE A 11 2.082 -5.905 0.479 1.00 0.00 O ATOM 147 CB PHE A 11 4.720 -5.616 0.554 1.00 0.00 C ATOM 148 CG PHE A 11 5.204 -4.328 1.209 1.00 0.00 C ATOM 149 CD1 PHE A 11 4.287 -3.275 1.408 1.00 0.00 C ATOM 150 CD2 PHE A 11 6.561 -4.139 1.569 1.00 0.00 C ATOM 151 CE1 PHE A 11 4.713 -2.057 1.966 1.00 0.00 C ATOM 152 CE2 PHE A 11 6.982 -2.910 2.114 1.00 0.00 C ATOM 153 CZ PHE A 11 6.057 -1.873 2.316 1.00 0.00 C ATOM 0 H PHE A 11 4.150 -8.447 0.446 1.00 0.00 H new ATOM 0 HA PHE A 11 4.330 -6.308 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.562 -6.108 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.000 -5.371 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.252 -3.405 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.274 -4.938 1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.002 -1.260 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.019 -2.765 2.377 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.381 -0.934 2.741 1.00 0.00 H new ATOM 163 N GLY A 12 1.722 -7.257 2.120 1.00 0.00 N ATOM 164 CA GLY A 12 0.245 -7.151 1.833 1.00 0.00 C ATOM 165 C GLY A 12 -0.209 -5.690 1.718 1.00 0.00 C ATOM 166 O GLY A 12 -0.820 -5.281 0.740 1.00 0.00 O ATOM 0 H GLY A 12 1.991 -7.845 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.016 -7.677 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.316 -7.645 2.627 1.00 0.00 H new ATOM 170 N PRO A 13 0.149 -4.886 2.683 1.00 0.00 N ATOM 171 CA PRO A 13 -0.216 -3.453 2.705 1.00 0.00 C ATOM 172 C PRO A 13 -0.186 -2.845 1.306 1.00 0.00 C ATOM 173 O PRO A 13 -1.107 -2.164 0.896 1.00 0.00 O ATOM 174 CB PRO A 13 0.846 -2.820 3.613 1.00 0.00 C ATOM 175 CG PRO A 13 1.179 -3.882 4.607 1.00 0.00 C ATOM 176 CD PRO A 13 0.958 -5.233 3.909 1.00 0.00 C ATOM 0 HA PRO A 13 -1.231 -3.286 3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.726 -2.521 3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.464 -1.925 4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.211 -3.786 4.944 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.546 -3.796 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.904 -5.703 3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.425 -5.932 4.553 1.00 0.00 H new ATOM 184 N GLN A 14 0.863 -3.074 0.564 1.00 0.00 N ATOM 185 CA GLN A 14 0.914 -2.496 -0.796 1.00 0.00 C ATOM 186 C GLN A 14 -0.210 -3.092 -1.641 1.00 0.00 C ATOM 187 O GLN A 14 -0.804 -2.390 -2.406 1.00 0.00 O ATOM 188 CB GLN A 14 2.290 -2.743 -1.460 1.00 0.00 C ATOM 189 CG GLN A 14 3.277 -1.605 -1.116 1.00 0.00 C ATOM 190 CD GLN A 14 4.703 -2.000 -1.501 1.00 0.00 C ATOM 191 OE1 GLN A 14 5.207 -3.007 -1.051 1.00 0.00 O ATOM 192 NE2 GLN A 14 5.379 -1.235 -2.312 1.00 0.00 N ATOM 0 H GLN A 14 1.673 -3.629 0.841 1.00 0.00 H new ATOM 0 HA GLN A 14 0.778 -1.417 -0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.696 -3.697 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.170 -2.812 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.990 -0.695 -1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.230 -1.384 -0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.953 -0.389 -2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.334 -1.483 -2.569 1.00 0.00 H new ATOM 201 N ALA A 15 -0.526 -4.359 -1.524 1.00 0.00 N ATOM 202 CA ALA A 15 -1.639 -4.872 -2.367 1.00 0.00 C ATOM 203 C ALA A 15 -2.911 -4.188 -1.920 1.00 0.00 C ATOM 204 O ALA A 15 -3.751 -3.841 -2.724 1.00 0.00 O ATOM 205 CB ALA A 15 -1.771 -6.397 -2.290 1.00 0.00 C ATOM 0 H ALA A 15 -0.078 -5.035 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.434 -4.645 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.597 -6.723 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.846 -6.860 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.964 -6.694 -1.259 1.00 0.00 H new ATOM 211 N PHE A 16 -3.044 -3.913 -0.650 1.00 0.00 N ATOM 212 CA PHE A 16 -4.262 -3.218 -0.198 1.00 0.00 C ATOM 213 C PHE A 16 -4.212 -1.880 -0.909 1.00 0.00 C ATOM 214 O PHE A 16 -5.156 -1.431 -1.492 1.00 0.00 O ATOM 215 CB PHE A 16 -4.233 -3.046 1.338 1.00 0.00 C ATOM 216 CG PHE A 16 -4.915 -4.216 2.031 1.00 0.00 C ATOM 217 CD1 PHE A 16 -6.278 -4.474 1.795 1.00 0.00 C ATOM 218 CD2 PHE A 16 -4.185 -5.042 2.910 1.00 0.00 C ATOM 219 CE1 PHE A 16 -6.911 -5.556 2.439 1.00 0.00 C ATOM 220 CE2 PHE A 16 -4.822 -6.125 3.552 1.00 0.00 C ATOM 221 CZ PHE A 16 -6.183 -6.380 3.315 1.00 0.00 C ATOM 0 H PHE A 16 -2.367 -4.140 0.078 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.178 -3.763 -0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.201 -2.968 1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.731 -2.116 1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.839 -3.843 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.139 -4.846 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.958 -5.753 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.263 -6.758 4.226 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.670 -7.209 3.806 1.00 0.00 H new ATOM 231 N LYS A 17 -3.075 -1.271 -0.924 1.00 0.00 N ATOM 232 CA LYS A 17 -2.970 0.039 -1.601 1.00 0.00 C ATOM 233 C LYS A 17 -3.396 -0.094 -3.074 1.00 0.00 C ATOM 234 O LYS A 17 -4.202 0.685 -3.536 1.00 0.00 O ATOM 235 CB LYS A 17 -1.534 0.569 -1.446 1.00 0.00 C ATOM 236 CG LYS A 17 -1.208 0.981 0.015 1.00 0.00 C ATOM 237 CD LYS A 17 0.227 1.541 0.208 1.00 0.00 C ATOM 238 CE LYS A 17 0.466 1.904 1.699 1.00 0.00 C ATOM 239 NZ LYS A 17 1.845 2.434 1.892 1.00 0.00 N ATOM 0 H LYS A 17 -2.215 -1.619 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.644 0.762 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.830 -0.198 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.394 1.428 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.927 1.734 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.339 0.115 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.960 0.802 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.367 2.424 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.264 2.647 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.318 1.022 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.972 2.719 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.537 1.696 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.990 3.258 1.274 1.00 0.00 H new ATOM 253 N LEU A 18 -2.928 -1.068 -3.831 1.00 0.00 N ATOM 254 CA LEU A 18 -3.384 -1.134 -5.249 1.00 0.00 C ATOM 255 C LEU A 18 -4.807 -1.671 -5.202 1.00 0.00 C ATOM 256 O LEU A 18 -5.721 -1.041 -5.669 1.00 0.00 O ATOM 257 CB LEU A 18 -2.490 -2.084 -6.101 1.00 0.00 C ATOM 258 CG LEU A 18 -2.617 -1.813 -7.615 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.094 -1.752 -8.039 1.00 0.00 C ATOM 260 CD2 LEU A 18 -1.894 -0.514 -8.000 1.00 0.00 C ATOM 0 H LEU A 18 -2.274 -1.792 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.325 -0.150 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.449 -1.966 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.766 -3.118 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.143 -2.640 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.157 -1.560 -9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.577 -2.702 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.595 -0.951 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.997 -0.344 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.334 0.322 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.837 -0.597 -7.746 1.00 0.00 H new ATOM 272 N LEU A 19 -4.998 -2.816 -4.614 1.00 0.00 N ATOM 273 CA LEU A 19 -6.356 -3.392 -4.573 1.00 0.00 C ATOM 274 C LEU A 19 -7.384 -2.399 -3.941 1.00 0.00 C ATOM 275 O LEU A 19 -8.461 -2.214 -4.512 1.00 0.00 O ATOM 276 CB LEU A 19 -6.305 -4.769 -3.871 1.00 0.00 C ATOM 277 CG LEU A 19 -5.378 -5.783 -4.578 1.00 0.00 C ATOM 278 CD1 LEU A 19 -5.325 -7.161 -3.855 1.00 0.00 C ATOM 279 CD2 LEU A 19 -5.913 -6.011 -6.000 1.00 0.00 C ATOM 0 H LEU A 19 -4.272 -3.372 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.717 -3.557 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.966 -4.633 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.313 -5.182 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.370 -5.367 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.658 -7.831 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.954 -7.025 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.325 -7.593 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.273 -6.725 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.928 -6.404 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.918 -5.066 -6.543 1.00 0.00 H new ATOM 291 N SER A 20 -7.168 -1.770 -2.778 1.00 0.00 N ATOM 292 CA SER A 20 -8.311 -0.878 -2.313 1.00 0.00 C ATOM 293 C SER A 20 -8.473 0.349 -3.255 1.00 0.00 C ATOM 294 O SER A 20 -9.558 0.921 -3.370 1.00 0.00 O ATOM 295 CB SER A 20 -8.152 -0.429 -0.851 1.00 0.00 C ATOM 296 OG SER A 20 -9.011 0.678 -0.601 1.00 0.00 O ATOM 0 H SER A 20 -6.339 -1.825 -2.187 1.00 0.00 H new ATOM 0 HA SER A 20 -9.220 -1.478 -2.361 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.395 -1.251 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.116 -0.152 -0.655 1.00 0.00 H new ATOM 0 HG SER A 20 -8.912 0.965 0.331 1.00 0.00 H new ATOM 302 N ALA A 21 -7.439 0.787 -3.931 1.00 0.00 N ATOM 303 CA ALA A 21 -7.622 1.990 -4.810 1.00 0.00 C ATOM 304 C ALA A 21 -8.496 1.659 -6.034 1.00 0.00 C ATOM 305 O ALA A 21 -9.398 2.405 -6.359 1.00 0.00 O ATOM 306 CB ALA A 21 -6.272 2.551 -5.276 1.00 0.00 C ATOM 0 H ALA A 21 -6.503 0.381 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.128 2.748 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.439 3.421 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.680 2.843 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.736 1.788 -5.841 1.00 0.00 H new ATOM 312 N VAL A 22 -8.266 0.558 -6.713 1.00 0.00 N ATOM 313 CA VAL A 22 -9.126 0.234 -7.904 1.00 0.00 C ATOM 314 C VAL A 22 -10.558 0.073 -7.399 1.00 0.00 C ATOM 315 O VAL A 22 -11.509 0.406 -8.068 1.00 0.00 O ATOM 316 CB VAL A 22 -8.585 -1.067 -8.587 1.00 0.00 C ATOM 317 CG1 VAL A 22 -7.282 -0.835 -9.364 1.00 0.00 C ATOM 318 CG2 VAL A 22 -8.360 -2.199 -7.552 1.00 0.00 C ATOM 0 H VAL A 22 -7.534 -0.121 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.103 1.023 -8.655 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.356 -1.366 -9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.956 -1.772 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.452 -0.095 -10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.512 -0.473 -8.683 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.984 -3.087 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.634 -1.872 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.303 -2.434 -7.059 1.00 0.00 H new ATOM 328 N ASP A 23 -10.684 -0.406 -6.216 1.00 0.00 N ATOM 329 CA ASP A 23 -12.024 -0.622 -5.620 1.00 0.00 C ATOM 330 C ASP A 23 -12.734 0.727 -5.495 1.00 0.00 C ATOM 331 O ASP A 23 -13.822 0.903 -6.006 1.00 0.00 O ATOM 332 CB ASP A 23 -11.875 -1.258 -4.235 1.00 0.00 C ATOM 333 CG ASP A 23 -13.260 -1.509 -3.634 1.00 0.00 C ATOM 334 OD1 ASP A 23 -14.237 -1.202 -4.297 1.00 0.00 O ATOM 335 OD2 ASP A 23 -13.317 -2.001 -2.519 1.00 0.00 O ATOM 0 H ASP A 23 -9.902 -0.666 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.608 -1.288 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.325 -2.196 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.298 -0.603 -3.583 1.00 0.00 H new ATOM 340 N ILE A 24 -12.136 1.702 -4.843 1.00 0.00 N ATOM 341 CA ILE A 24 -12.859 3.011 -4.721 1.00 0.00 C ATOM 342 C ILE A 24 -13.052 3.566 -6.144 1.00 0.00 C ATOM 343 O ILE A 24 -14.111 4.026 -6.513 1.00 0.00 O ATOM 344 CB ILE A 24 -12.067 3.989 -3.797 1.00 0.00 C ATOM 345 CG1 ILE A 24 -11.795 3.318 -2.437 1.00 0.00 C ATOM 346 CG2 ILE A 24 -12.837 5.301 -3.548 1.00 0.00 C ATOM 347 CD1 ILE A 24 -13.106 2.800 -1.831 1.00 0.00 C ATOM 0 H ILE A 24 -11.215 1.653 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.835 2.882 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.133 4.226 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.094 2.493 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.329 4.032 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.249 5.951 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.017 5.803 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.790 5.078 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.901 2.328 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.794 3.633 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.555 2.071 -2.505 1.00 0.00 H new ATOM 359 N LEU A 25 -12.023 3.476 -6.947 1.00 0.00 N ATOM 360 CA LEU A 25 -12.091 3.960 -8.358 1.00 0.00 C ATOM 361 C LEU A 25 -13.012 3.013 -9.115 1.00 0.00 C ATOM 362 O LEU A 25 -13.251 3.163 -10.295 1.00 0.00 O ATOM 363 CB LEU A 25 -10.674 3.951 -8.959 1.00 0.00 C ATOM 364 CG LEU A 25 -9.861 5.152 -8.424 1.00 0.00 C ATOM 365 CD1 LEU A 25 -8.362 4.837 -8.454 1.00 0.00 C ATOM 366 CD2 LEU A 25 -10.129 6.391 -9.294 1.00 0.00 C ATOM 0 H LEU A 25 -11.122 3.080 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.477 4.977 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.169 3.019 -8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.732 3.997 -10.047 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.168 5.347 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.803 5.692 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.161 3.966 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.054 4.628 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.554 7.235 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.832 6.185 -10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.191 6.633 -9.265 1.00 0.00 H new ATOM 378 N GLY A 26 -13.522 2.023 -8.418 1.00 0.00 N ATOM 379 CA GLY A 26 -14.439 1.027 -9.044 1.00 0.00 C ATOM 380 C GLY A 26 -13.862 0.555 -10.381 1.00 0.00 C ATOM 381 O GLY A 26 -14.555 0.516 -11.369 1.00 0.00 O ATOM 0 H GLY A 26 -13.336 1.865 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.576 0.176 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.422 1.472 -9.199 1.00 0.00 H new ATOM 385 N GLU A 27 -12.596 0.194 -10.382 1.00 0.00 N ATOM 386 CA GLU A 27 -11.887 -0.299 -11.620 1.00 0.00 C ATOM 387 C GLU A 27 -12.130 0.604 -12.858 1.00 0.00 C ATOM 388 O GLU A 27 -11.646 0.296 -13.930 1.00 0.00 O ATOM 389 CB GLU A 27 -12.322 -1.729 -12.004 1.00 0.00 C ATOM 390 CG GLU A 27 -11.884 -2.789 -10.965 1.00 0.00 C ATOM 391 CD GLU A 27 -12.422 -4.169 -11.371 1.00 0.00 C ATOM 392 OE1 GLU A 27 -13.020 -4.272 -12.431 1.00 0.00 O ATOM 393 OE2 GLU A 27 -12.220 -5.100 -10.613 1.00 0.00 O ATOM 0 H GLU A 27 -12.005 0.221 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.830 -0.278 -11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.406 -1.758 -12.110 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.900 -1.984 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.796 -2.818 -10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.257 -2.519 -9.977 1.00 0.00 H new ATOM 400 N LYS A 28 -12.829 1.719 -12.761 1.00 0.00 N ATOM 401 CA LYS A 28 -13.007 2.565 -14.005 1.00 0.00 C ATOM 402 C LYS A 28 -11.658 3.208 -14.349 1.00 0.00 C ATOM 403 O LYS A 28 -11.525 4.053 -15.208 1.00 0.00 O ATOM 404 CB LYS A 28 -14.142 3.616 -13.808 1.00 0.00 C ATOM 405 CG LYS A 28 -15.520 2.991 -13.469 1.00 0.00 C ATOM 406 CD LYS A 28 -16.135 2.228 -14.688 1.00 0.00 C ATOM 407 CE LYS A 28 -17.514 1.661 -14.326 1.00 0.00 C ATOM 408 NZ LYS A 28 -18.505 2.772 -14.242 1.00 0.00 N ATOM 0 H LYS A 28 -13.270 2.073 -11.912 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.320 1.944 -14.845 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.857 4.300 -13.008 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.236 4.210 -14.717 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.410 2.304 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.205 3.776 -13.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.225 2.903 -15.539 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.471 1.419 -14.991 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.829 0.936 -15.076 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.463 1.133 -13.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.465 2.377 -14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.313 3.345 -13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.429 3.370 -15.089 1.00 0.00 H new ATOM 422 N PHE A 29 -10.624 2.781 -13.715 1.00 0.00 N ATOM 423 CA PHE A 29 -9.296 3.370 -14.044 1.00 0.00 C ATOM 424 C PHE A 29 -8.254 2.263 -14.149 1.00 0.00 C ATOM 425 O PHE A 29 -8.302 1.256 -13.457 1.00 0.00 O ATOM 426 CB PHE A 29 -8.878 4.355 -12.961 1.00 0.00 C ATOM 427 CG PHE A 29 -9.722 5.590 -13.079 1.00 0.00 C ATOM 428 CD1 PHE A 29 -11.037 5.585 -12.607 1.00 0.00 C ATOM 429 CD2 PHE A 29 -9.186 6.738 -13.659 1.00 0.00 C ATOM 430 CE1 PHE A 29 -11.824 6.739 -12.725 1.00 0.00 C ATOM 431 CE2 PHE A 29 -9.973 7.900 -13.780 1.00 0.00 C ATOM 432 CZ PHE A 29 -11.297 7.896 -13.317 1.00 0.00 C ATOM 0 H PHE A 29 -10.626 2.061 -12.992 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.370 3.894 -14.997 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.001 3.907 -11.975 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.823 4.607 -13.067 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.446 4.695 -12.153 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.167 6.737 -14.016 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.840 6.737 -12.359 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.558 8.791 -14.228 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.908 8.781 -13.416 1.00 0.00 H new ATOM 442 N GLY A 30 -7.320 2.477 -15.042 1.00 0.00 N ATOM 443 CA GLY A 30 -6.214 1.515 -15.295 1.00 0.00 C ATOM 444 C GLY A 30 -5.029 1.833 -14.364 1.00 0.00 C ATOM 445 O GLY A 30 -5.159 2.553 -13.392 1.00 0.00 O ATOM 0 H GLY A 30 -7.282 3.313 -15.626 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.560 0.495 -15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.898 1.575 -16.336 1.00 0.00 H new ATOM 449 N ILE A 31 -3.882 1.274 -14.656 1.00 0.00 N ATOM 450 CA ILE A 31 -2.653 1.509 -13.804 1.00 0.00 C ATOM 451 C ILE A 31 -2.154 2.974 -13.869 1.00 0.00 C ATOM 452 O ILE A 31 -1.496 3.475 -12.949 1.00 0.00 O ATOM 453 CB ILE A 31 -1.541 0.577 -14.303 1.00 0.00 C ATOM 454 CG1 ILE A 31 -0.255 0.873 -13.521 1.00 0.00 C ATOM 455 CG2 ILE A 31 -1.303 0.819 -15.795 1.00 0.00 C ATOM 456 CD1 ILE A 31 0.766 -0.245 -13.750 1.00 0.00 C ATOM 0 H ILE A 31 -3.733 0.657 -15.454 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.915 1.305 -12.766 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.833 -0.462 -14.151 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.162 1.828 -13.839 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.478 0.961 -12.458 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.513 0.157 -16.150 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.221 0.617 -16.347 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.005 1.856 -15.953 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.676 -0.027 -13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.350 -1.193 -13.410 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.000 -0.312 -14.812 1.00 0.00 H new ATOM 468 N GLY A 32 -2.414 3.632 -14.966 1.00 0.00 N ATOM 469 CA GLY A 32 -1.943 5.043 -15.175 1.00 0.00 C ATOM 470 C GLY A 32 -2.171 5.960 -13.962 1.00 0.00 C ATOM 471 O GLY A 32 -1.231 6.456 -13.371 1.00 0.00 O ATOM 0 H GLY A 32 -2.945 3.247 -15.747 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.879 5.029 -15.413 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.458 5.464 -16.039 1.00 0.00 H new ATOM 475 N LEU A 33 -3.404 6.246 -13.620 1.00 0.00 N ATOM 476 CA LEU A 33 -3.668 7.174 -12.474 1.00 0.00 C ATOM 477 C LEU A 33 -3.157 6.569 -11.140 1.00 0.00 C ATOM 478 O LEU A 33 -2.453 7.239 -10.416 1.00 0.00 O ATOM 479 CB LEU A 33 -5.179 7.516 -12.401 1.00 0.00 C ATOM 480 CG LEU A 33 -5.557 8.126 -11.023 1.00 0.00 C ATOM 481 CD1 LEU A 33 -4.762 9.421 -10.779 1.00 0.00 C ATOM 482 CD2 LEU A 33 -7.056 8.444 -11.025 1.00 0.00 C ATOM 0 H LEU A 33 -4.236 5.879 -14.082 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.118 8.100 -12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.433 8.220 -13.194 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.766 6.614 -12.575 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.320 7.414 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.036 9.839 -9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.695 9.200 -10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.992 10.142 -11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.338 8.873 -10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.276 9.157 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.622 7.528 -11.193 1.00 0.00 H new ATOM 494 N PRO A 34 -3.483 5.342 -10.793 1.00 0.00 N ATOM 495 CA PRO A 34 -3.007 4.712 -9.514 1.00 0.00 C ATOM 496 C PRO A 34 -1.550 5.058 -9.151 1.00 0.00 C ATOM 497 O PRO A 34 -1.286 5.541 -8.069 1.00 0.00 O ATOM 498 CB PRO A 34 -3.143 3.225 -9.819 1.00 0.00 C ATOM 499 CG PRO A 34 -4.353 3.146 -10.691 1.00 0.00 C ATOM 500 CD PRO A 34 -4.350 4.421 -11.554 1.00 0.00 C ATOM 0 HA PRO A 34 -3.577 5.062 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.259 2.839 -10.326 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.268 2.640 -8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.324 2.254 -11.316 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.261 3.085 -10.091 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.957 4.230 -12.552 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.355 4.825 -11.679 1.00 0.00 H new ATOM 508 N ILE A 35 -0.591 4.861 -10.014 1.00 0.00 N ATOM 509 CA ILE A 35 0.816 5.249 -9.612 1.00 0.00 C ATOM 510 C ILE A 35 0.835 6.766 -9.335 1.00 0.00 C ATOM 511 O ILE A 35 1.348 7.211 -8.330 1.00 0.00 O ATOM 512 CB ILE A 35 1.764 4.864 -10.740 1.00 0.00 C ATOM 513 CG1 ILE A 35 3.222 4.897 -10.259 1.00 0.00 C ATOM 514 CG2 ILE A 35 1.576 5.785 -11.945 1.00 0.00 C ATOM 515 CD1 ILE A 35 4.121 4.083 -11.206 1.00 0.00 C ATOM 0 H ILE A 35 -0.699 4.465 -10.948 1.00 0.00 H new ATOM 0 HA ILE A 35 1.138 4.731 -8.709 1.00 0.00 H new ATOM 0 HB ILE A 35 1.527 3.846 -11.048 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.572 5.928 -10.212 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.287 4.492 -9.249 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.263 5.491 -12.738 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.551 5.707 -12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.780 6.815 -11.651 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.151 4.118 -10.850 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.780 3.048 -11.231 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.070 4.506 -12.209 1.00 0.00 H new ATOM 527 N LEU A 36 0.234 7.551 -10.199 1.00 0.00 N ATOM 528 CA LEU A 36 0.151 9.027 -9.952 1.00 0.00 C ATOM 529 C LEU A 36 -0.625 9.325 -8.648 1.00 0.00 C ATOM 530 O LEU A 36 -0.218 10.164 -7.855 1.00 0.00 O ATOM 531 CB LEU A 36 -0.544 9.727 -11.129 1.00 0.00 C ATOM 532 CG LEU A 36 0.338 9.669 -12.383 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.491 10.055 -13.619 1.00 0.00 C ATOM 534 CD2 LEU A 36 1.517 10.643 -12.240 1.00 0.00 C ATOM 0 H LEU A 36 -0.203 7.233 -11.064 1.00 0.00 H new ATOM 0 HA LEU A 36 1.168 9.407 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.503 9.250 -11.329 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.752 10.765 -10.871 1.00 0.00 H new ATOM 0 HG LEU A 36 0.719 8.654 -12.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.139 10.013 -14.507 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.323 9.360 -13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.878 11.067 -13.496 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.138 10.596 -13.134 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.138 11.657 -12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.113 10.368 -11.369 1.00 0.00 H new ATOM 546 N PHE A 37 -1.744 8.660 -8.424 1.00 0.00 N ATOM 547 CA PHE A 37 -2.523 8.890 -7.155 1.00 0.00 C ATOM 548 C PHE A 37 -1.892 8.052 -6.053 1.00 0.00 C ATOM 549 O PHE A 37 -2.127 8.838 -5.145 1.00 0.00 O ATOM 550 CB PHE A 37 -3.986 8.357 -7.282 1.00 0.00 C ATOM 551 CG PHE A 37 -4.822 8.446 -6.020 1.00 0.00 C ATOM 552 CD1 PHE A 37 -4.690 7.451 -5.023 1.00 0.00 C ATOM 553 CD2 PHE A 37 -5.810 9.429 -5.887 1.00 0.00 C ATOM 554 CE1 PHE A 37 -5.528 7.461 -3.899 1.00 0.00 C ATOM 555 CE2 PHE A 37 -6.669 9.431 -4.774 1.00 0.00 C ATOM 556 CZ PHE A 37 -6.527 8.446 -3.776 1.00 0.00 C ATOM 0 H PHE A 37 -2.148 7.973 -9.061 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.518 9.961 -6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.490 8.914 -8.072 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.949 7.315 -7.600 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.941 6.680 -5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.913 10.191 -6.645 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.408 6.714 -3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.436 10.186 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.183 8.447 -2.918 1.00 0.00 H new ATOM 566 N LEU A 38 -1.286 6.945 -5.847 1.00 0.00 N ATOM 567 CA LEU A 38 -0.871 6.571 -4.541 1.00 0.00 C ATOM 568 C LEU A 38 0.162 7.586 -4.030 1.00 0.00 C ATOM 569 O LEU A 38 0.127 7.916 -2.876 1.00 0.00 O ATOM 570 CB LEU A 38 -0.364 5.138 -4.725 1.00 0.00 C ATOM 571 CG LEU A 38 -1.586 4.211 -5.107 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.104 2.841 -5.661 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.500 3.968 -3.878 1.00 0.00 C ATOM 0 H LEU A 38 -1.061 6.268 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.644 6.584 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.395 5.104 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.107 4.783 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.151 4.728 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.968 2.227 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.499 3.002 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.507 2.332 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.334 3.328 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.926 3.484 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.883 4.922 -3.515 1.00 0.00 H new ATOM 585 N ARG A 39 1.049 8.104 -4.843 1.00 0.00 N ATOM 586 CA ARG A 39 2.075 9.078 -4.336 1.00 0.00 C ATOM 587 C ARG A 39 1.496 10.470 -3.932 1.00 0.00 C ATOM 588 O ARG A 39 2.201 11.287 -3.383 1.00 0.00 O ATOM 589 CB ARG A 39 3.129 9.282 -5.437 1.00 0.00 C ATOM 590 CG ARG A 39 3.745 7.935 -5.852 1.00 0.00 C ATOM 591 CD ARG A 39 4.905 8.150 -6.832 1.00 0.00 C ATOM 592 NE ARG A 39 6.122 8.542 -6.064 1.00 0.00 N ATOM 593 CZ ARG A 39 7.301 8.404 -6.597 1.00 0.00 C ATOM 594 NH1 ARG A 39 7.415 7.904 -7.798 1.00 0.00 N ATOM 595 NH2 ARG A 39 8.365 8.758 -5.932 1.00 0.00 N ATOM 0 H ARG A 39 1.110 7.896 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 39 2.496 8.648 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.671 9.761 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.912 9.951 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.102 7.405 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.983 7.308 -6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.094 7.238 -7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.649 8.925 -7.554 1.00 0.00 H new ATOM 0 HE ARG A 39 6.030 8.918 -5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.582 7.623 -8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.337 7.794 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.274 9.144 -4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.288 8.649 -6.352 1.00 0.00 H new ATOM 609 N GLY A 40 0.225 10.721 -4.123 1.00 0.00 N ATOM 610 CA GLY A 40 -0.372 12.027 -3.702 1.00 0.00 C ATOM 611 C GLY A 40 0.003 13.092 -4.700 1.00 0.00 C ATOM 612 O GLY A 40 0.798 13.964 -4.428 1.00 0.00 O ATOM 0 H GLY A 40 -0.431 10.071 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.457 11.940 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.014 12.300 -2.710 1.00 0.00 H new ATOM 616 N SER A 41 -0.568 13.020 -5.871 1.00 0.00 N ATOM 617 CA SER A 41 -0.243 14.047 -6.930 1.00 0.00 C ATOM 618 C SER A 41 -0.848 15.455 -6.638 1.00 0.00 C ATOM 619 O SER A 41 -1.727 15.633 -5.790 1.00 0.00 O ATOM 620 CB SER A 41 -0.512 13.541 -8.331 1.00 0.00 C ATOM 621 OG SER A 41 -1.911 13.364 -8.502 1.00 0.00 O ATOM 0 H SER A 41 -1.241 12.306 -6.149 1.00 0.00 H new ATOM 0 HA SER A 41 0.835 14.201 -6.878 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.130 14.249 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.009 12.598 -8.496 1.00 0.00 H new ATOM 0 HG SER A 41 -2.091 13.038 -9.408 1.00 0.00 H new ATOM 627 N ASN A 42 -0.366 16.456 -7.333 1.00 0.00 N ATOM 628 CA ASN A 42 -0.886 17.859 -7.155 1.00 0.00 C ATOM 629 C ASN A 42 -2.259 17.858 -7.834 1.00 0.00 C ATOM 630 O ASN A 42 -2.385 17.906 -9.040 1.00 0.00 O ATOM 631 CB ASN A 42 0.002 18.928 -7.795 1.00 0.00 C ATOM 632 CG ASN A 42 -0.588 20.313 -7.499 1.00 0.00 C ATOM 633 OD1 ASN A 42 -1.614 20.421 -6.858 1.00 0.00 O ATOM 634 ND2 ASN A 42 0.031 21.380 -7.923 1.00 0.00 N ATOM 0 H ASN A 42 0.376 16.365 -8.027 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.917 18.111 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.016 18.859 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.066 18.769 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.347 22.305 -7.716 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.893 21.290 -8.461 1.00 0.00 H new ATOM 641 N SER A 43 -3.286 17.808 -7.019 1.00 0.00 N ATOM 642 CA SER A 43 -4.697 17.807 -7.514 1.00 0.00 C ATOM 643 C SER A 43 -5.673 18.077 -6.366 1.00 0.00 C ATOM 644 O SER A 43 -6.023 17.200 -5.614 1.00 0.00 O ATOM 645 CB SER A 43 -5.015 16.449 -8.135 1.00 0.00 C ATOM 646 OG SER A 43 -6.300 16.501 -8.736 1.00 0.00 O ATOM 0 H SER A 43 -3.200 17.767 -6.003 1.00 0.00 H new ATOM 0 HA SER A 43 -4.805 18.595 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.262 16.191 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.988 15.671 -7.372 1.00 0.00 H new ATOM 0 HG SER A 43 -6.247 16.157 -9.652 1.00 0.00 H new ATOM 652 N GLN A 44 -6.095 19.304 -6.211 1.00 0.00 N ATOM 653 CA GLN A 44 -7.032 19.638 -5.099 1.00 0.00 C ATOM 654 C GLN A 44 -8.431 19.035 -5.337 1.00 0.00 C ATOM 655 O GLN A 44 -9.076 18.587 -4.410 1.00 0.00 O ATOM 656 CB GLN A 44 -7.155 21.159 -4.992 1.00 0.00 C ATOM 657 CG GLN A 44 -7.901 21.521 -3.703 1.00 0.00 C ATOM 658 CD GLN A 44 -7.036 21.167 -2.493 1.00 0.00 C ATOM 659 OE1 GLN A 44 -5.962 21.709 -2.323 1.00 0.00 O ATOM 660 NE2 GLN A 44 -7.459 20.274 -1.642 1.00 0.00 N ATOM 0 H GLN A 44 -5.831 20.089 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.632 19.216 -4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.165 21.616 -4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.689 21.553 -5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.138 22.585 -3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.848 20.983 -3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.361 19.820 -1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.888 20.030 -0.833 1.00 0.00 H new ATOM 669 N ARG A 45 -8.922 19.053 -6.549 1.00 0.00 N ATOM 670 CA ARG A 45 -10.299 18.507 -6.810 1.00 0.00 C ATOM 671 C ARG A 45 -10.379 17.004 -6.501 1.00 0.00 C ATOM 672 O ARG A 45 -11.348 16.526 -5.928 1.00 0.00 O ATOM 673 CB ARG A 45 -10.649 18.737 -8.288 1.00 0.00 C ATOM 674 CG ARG A 45 -12.085 18.255 -8.577 1.00 0.00 C ATOM 675 CD ARG A 45 -12.453 18.522 -10.046 1.00 0.00 C ATOM 676 NE ARG A 45 -13.896 18.197 -10.265 1.00 0.00 N ATOM 677 CZ ARG A 45 -14.261 16.968 -10.504 1.00 0.00 C ATOM 678 NH1 ARG A 45 -13.375 16.013 -10.562 1.00 0.00 N ATOM 679 NH2 ARG A 45 -15.527 16.695 -10.689 1.00 0.00 N ATOM 0 H ARG A 45 -8.437 19.419 -7.368 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.004 19.023 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.557 19.796 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.943 18.202 -8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.168 17.190 -8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.787 18.768 -7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.262 19.566 -10.296 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.829 17.917 -10.704 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.596 18.938 -10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.387 16.224 -10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.670 15.055 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.221 17.441 -10.646 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.820 15.736 -10.876 1.00 0.00 H new ATOM 693 N LEU A 46 -9.384 16.251 -6.879 1.00 0.00 N ATOM 694 CA LEU A 46 -9.424 14.781 -6.614 1.00 0.00 C ATOM 695 C LEU A 46 -8.895 14.518 -5.201 1.00 0.00 C ATOM 696 O LEU A 46 -8.932 13.408 -4.699 1.00 0.00 O ATOM 697 CB LEU A 46 -8.539 14.067 -7.651 1.00 0.00 C ATOM 698 CG LEU A 46 -9.039 14.328 -9.086 1.00 0.00 C ATOM 699 CD1 LEU A 46 -8.055 13.711 -10.081 1.00 0.00 C ATOM 700 CD2 LEU A 46 -10.421 13.698 -9.298 1.00 0.00 C ATOM 0 H LEU A 46 -8.548 16.585 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.445 14.406 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.510 14.412 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.536 12.995 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.112 15.404 -9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.404 13.893 -11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.072 14.163 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.987 12.637 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.757 13.893 -10.316 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.359 12.622 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.130 14.131 -8.593 1.00 0.00 H new ATOM 712 N ALA A 47 -8.421 15.536 -4.539 1.00 0.00 N ATOM 713 CA ALA A 47 -7.924 15.315 -3.165 1.00 0.00 C ATOM 714 C ALA A 47 -9.078 15.500 -2.185 1.00 0.00 C ATOM 715 O ALA A 47 -9.304 14.665 -1.364 1.00 0.00 O ATOM 716 CB ALA A 47 -6.785 16.292 -2.841 1.00 0.00 C ATOM 0 H ALA A 47 -8.359 16.493 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.532 14.302 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.431 16.115 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.965 16.140 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.149 17.316 -2.925 1.00 0.00 H new ATOM 722 N ASP A 48 -9.823 16.581 -2.263 1.00 0.00 N ATOM 723 CA ASP A 48 -10.956 16.773 -1.299 1.00 0.00 C ATOM 724 C ASP A 48 -11.975 15.647 -1.496 1.00 0.00 C ATOM 725 O ASP A 48 -12.506 15.093 -0.554 1.00 0.00 O ATOM 726 CB ASP A 48 -11.634 18.122 -1.533 1.00 0.00 C ATOM 727 CG ASP A 48 -10.718 19.249 -1.046 1.00 0.00 C ATOM 728 OD1 ASP A 48 -9.794 18.954 -0.303 1.00 0.00 O ATOM 729 OD2 ASP A 48 -10.956 20.384 -1.423 1.00 0.00 O ATOM 0 H ASP A 48 -9.697 17.330 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.566 16.751 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.854 18.251 -2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.586 18.159 -1.003 1.00 0.00 H new ATOM 734 N GLN A 49 -12.222 15.293 -2.727 1.00 0.00 N ATOM 735 CA GLN A 49 -13.197 14.193 -3.011 1.00 0.00 C ATOM 736 C GLN A 49 -12.693 12.883 -2.378 1.00 0.00 C ATOM 737 O GLN A 49 -13.440 12.155 -1.757 1.00 0.00 O ATOM 738 CB GLN A 49 -13.331 14.007 -4.523 1.00 0.00 C ATOM 739 CG GLN A 49 -14.070 15.204 -5.117 1.00 0.00 C ATOM 740 CD GLN A 49 -14.333 14.960 -6.605 1.00 0.00 C ATOM 741 OE1 GLN A 49 -15.322 14.355 -6.967 1.00 0.00 O ATOM 742 NE2 GLN A 49 -13.483 15.413 -7.486 1.00 0.00 N ATOM 0 H GLN A 49 -11.793 15.715 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 49 -14.168 14.452 -2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.345 13.912 -4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -13.873 13.086 -4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.012 15.359 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.479 16.110 -4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.653 15.921 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.649 15.259 -8.481 1.00 0.00 H new ATOM 751 N TYR A 50 -11.428 12.583 -2.539 1.00 0.00 N ATOM 752 CA TYR A 50 -10.857 11.315 -1.967 1.00 0.00 C ATOM 753 C TYR A 50 -10.241 11.601 -0.590 1.00 0.00 C ATOM 754 O TYR A 50 -9.227 11.055 -0.214 1.00 0.00 O ATOM 755 CB TYR A 50 -9.799 10.779 -2.926 1.00 0.00 C ATOM 756 CG TYR A 50 -10.504 10.164 -4.110 1.00 0.00 C ATOM 757 CD1 TYR A 50 -10.917 10.971 -5.186 1.00 0.00 C ATOM 758 CD2 TYR A 50 -10.767 8.781 -4.131 1.00 0.00 C ATOM 759 CE1 TYR A 50 -11.595 10.397 -6.279 1.00 0.00 C ATOM 760 CE2 TYR A 50 -11.439 8.206 -5.224 1.00 0.00 C ATOM 761 CZ TYR A 50 -11.853 9.014 -6.296 1.00 0.00 C ATOM 762 OH TYR A 50 -12.516 8.448 -7.369 1.00 0.00 O ATOM 0 H TYR A 50 -10.759 13.163 -3.045 1.00 0.00 H new ATOM 0 HA TYR A 50 -11.643 10.570 -1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.139 11.583 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.175 10.037 -2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -10.714 12.032 -5.174 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.452 8.160 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.916 11.017 -7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.637 7.144 -5.239 1.00 0.00 H new ATOM 0 HH TYR A 50 -12.612 7.484 -7.223 1.00 0.00 H new ATOM 772 N ARG A 51 -10.861 12.488 0.127 1.00 0.00 N ATOM 773 CA ARG A 51 -10.404 12.912 1.488 1.00 0.00 C ATOM 774 C ARG A 51 -10.330 11.738 2.472 1.00 0.00 C ATOM 775 O ARG A 51 -9.332 11.581 3.150 1.00 0.00 O ATOM 776 CB ARG A 51 -11.398 13.978 2.042 1.00 0.00 C ATOM 777 CG ARG A 51 -12.850 13.505 1.892 1.00 0.00 C ATOM 778 CD ARG A 51 -13.801 14.604 2.383 1.00 0.00 C ATOM 779 NE ARG A 51 -15.208 14.119 2.298 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.192 14.912 2.626 1.00 0.00 C ATOM 781 NH1 ARG A 51 -15.943 16.128 3.018 1.00 0.00 N ATOM 782 NH2 ARG A 51 -17.423 14.480 2.563 1.00 0.00 N ATOM 0 H ARG A 51 -11.708 12.963 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.399 13.322 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.181 14.171 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.261 14.919 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.060 13.267 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.007 12.591 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.560 14.875 3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.678 15.503 1.779 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.402 13.168 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.980 16.460 3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.711 16.748 3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.614 13.525 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.194 15.097 2.819 1.00 0.00 H new ATOM 796 N ARG A 52 -11.352 10.944 2.632 1.00 0.00 N ATOM 797 CA ARG A 52 -11.205 9.834 3.607 1.00 0.00 C ATOM 798 C ARG A 52 -10.179 8.840 3.094 1.00 0.00 C ATOM 799 O ARG A 52 -9.461 8.218 3.852 1.00 0.00 O ATOM 800 CB ARG A 52 -12.556 9.134 3.787 1.00 0.00 C ATOM 801 CG ARG A 52 -13.548 10.060 4.514 1.00 0.00 C ATOM 802 CD ARG A 52 -13.337 9.979 6.031 1.00 0.00 C ATOM 803 NE ARG A 52 -14.399 10.762 6.723 1.00 0.00 N ATOM 804 CZ ARG A 52 -14.278 11.043 7.989 1.00 0.00 C ATOM 805 NH1 ARG A 52 -13.234 10.630 8.653 1.00 0.00 N ATOM 806 NH2 ARG A 52 -15.206 11.736 8.598 1.00 0.00 N ATOM 0 H ARG A 52 -12.248 11.011 2.150 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.872 10.232 4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.959 8.851 2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.423 8.214 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.412 11.087 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.571 9.775 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.365 8.940 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.354 10.369 6.293 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.220 11.078 6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.511 10.087 8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.140 10.851 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.025 12.057 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.110 11.956 9.589 1.00 0.00 H new ATOM 820 N HIS A 53 -10.125 8.673 1.805 1.00 0.00 N ATOM 821 CA HIS A 53 -9.172 7.708 1.193 1.00 0.00 C ATOM 822 C HIS A 53 -7.780 7.771 1.830 1.00 0.00 C ATOM 823 O HIS A 53 -6.985 8.634 1.517 1.00 0.00 O ATOM 824 CB HIS A 53 -9.076 8.063 -0.260 1.00 0.00 C ATOM 825 CG HIS A 53 -8.615 6.855 -1.031 1.00 0.00 C ATOM 826 ND1 HIS A 53 -9.513 5.937 -1.564 1.00 0.00 N ATOM 827 CD2 HIS A 53 -7.368 6.388 -1.355 1.00 0.00 C ATOM 828 CE1 HIS A 53 -8.795 4.975 -2.171 1.00 0.00 C ATOM 829 NE2 HIS A 53 -7.486 5.204 -2.071 1.00 0.00 N ATOM 0 H HIS A 53 -10.711 9.173 1.137 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.536 6.692 1.349 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.045 8.399 -0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.378 8.888 -0.400 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -10.530 5.984 -1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.436 6.867 -1.094 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.226 4.123 -2.676 1.00 0.00 H new ATOM 838 N SER A 54 -7.465 6.853 2.705 1.00 0.00 N ATOM 839 CA SER A 54 -6.120 6.868 3.354 1.00 0.00 C ATOM 840 C SER A 54 -5.005 6.547 2.334 1.00 0.00 C ATOM 841 O SER A 54 -3.954 7.154 2.343 1.00 0.00 O ATOM 842 CB SER A 54 -6.091 5.823 4.470 1.00 0.00 C ATOM 843 OG SER A 54 -4.822 5.858 5.114 1.00 0.00 O ATOM 0 H SER A 54 -8.080 6.094 2.999 1.00 0.00 H new ATOM 0 HA SER A 54 -5.943 7.865 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.883 6.022 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.276 4.830 4.059 1.00 0.00 H new ATOM 0 HG SER A 54 -4.801 5.190 5.831 1.00 0.00 H new ATOM 849 N LEU A 55 -5.206 5.573 1.481 1.00 0.00 N ATOM 850 CA LEU A 55 -4.139 5.179 0.495 1.00 0.00 C ATOM 851 C LEU A 55 -3.554 6.428 -0.207 1.00 0.00 C ATOM 852 O LEU A 55 -2.438 6.412 -0.758 1.00 0.00 O ATOM 853 CB LEU A 55 -4.749 4.307 -0.655 1.00 0.00 C ATOM 854 CG LEU A 55 -5.813 3.259 -0.205 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.296 2.433 -1.410 1.00 0.00 C ATOM 856 CD2 LEU A 55 -5.215 2.318 0.844 1.00 0.00 C ATOM 0 H LEU A 55 -6.066 5.028 1.421 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.378 4.638 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.205 4.971 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.938 3.783 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.659 3.794 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.038 1.706 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.743 3.097 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.450 1.910 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.967 1.591 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.358 1.796 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.894 2.896 1.711 1.00 0.00 H new ATOM 868 N PHE A 56 -4.270 7.511 -0.279 1.00 0.00 N ATOM 869 CA PHE A 56 -3.661 8.619 -1.004 1.00 0.00 C ATOM 870 C PHE A 56 -2.329 9.002 -0.349 1.00 0.00 C ATOM 871 O PHE A 56 -2.275 9.235 0.832 1.00 0.00 O ATOM 872 CB PHE A 56 -4.698 9.712 -0.949 1.00 0.00 C ATOM 873 CG PHE A 56 -4.133 11.067 -1.394 1.00 0.00 C ATOM 874 CD1 PHE A 56 -3.233 11.802 -0.580 1.00 0.00 C ATOM 875 CD2 PHE A 56 -4.468 11.578 -2.675 1.00 0.00 C ATOM 876 CE1 PHE A 56 -2.701 13.012 -1.048 1.00 0.00 C ATOM 877 CE2 PHE A 56 -3.915 12.778 -3.128 1.00 0.00 C ATOM 878 CZ PHE A 56 -3.039 13.491 -2.315 1.00 0.00 C ATOM 0 H PHE A 56 -5.199 7.662 0.114 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.406 8.388 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.540 9.444 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.082 9.796 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.959 11.431 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.156 11.034 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.025 13.577 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.167 13.152 -4.109 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.618 14.421 -2.667 1.00 0.00 H new ATOM 888 N GLY A 57 -1.313 9.146 -1.137 1.00 0.00 N ATOM 889 CA GLY A 57 0.069 9.584 -0.707 1.00 0.00 C ATOM 890 C GLY A 57 0.916 8.631 0.159 1.00 0.00 C ATOM 891 O GLY A 57 1.892 9.101 0.756 1.00 0.00 O ATOM 0 H GLY A 57 -1.375 8.968 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.640 9.805 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.037 10.520 -0.159 1.00 0.00 H new ATOM 895 N THR A 58 0.660 7.353 0.303 1.00 0.00 N ATOM 896 CA THR A 58 1.622 6.653 1.224 1.00 0.00 C ATOM 897 C THR A 58 2.715 6.060 0.288 1.00 0.00 C ATOM 898 O THR A 58 3.780 5.737 0.685 1.00 0.00 O ATOM 899 CB THR A 58 0.783 5.544 1.896 1.00 0.00 C ATOM 900 OG1 THR A 58 -0.499 6.072 2.195 1.00 0.00 O ATOM 901 CG2 THR A 58 1.437 5.069 3.205 1.00 0.00 C ATOM 0 H THR A 58 -0.088 6.807 -0.123 1.00 0.00 H new ATOM 0 HA THR A 58 2.093 7.274 1.986 1.00 0.00 H new ATOM 0 HB THR A 58 0.713 4.695 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.047 5.380 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.824 4.288 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.430 4.673 2.993 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.521 5.908 3.895 1.00 0.00 H new ATOM 909 N GLY A 59 2.457 6.036 -0.989 1.00 0.00 N ATOM 910 CA GLY A 59 3.405 5.533 -2.047 1.00 0.00 C ATOM 911 C GLY A 59 4.392 6.596 -2.337 1.00 0.00 C ATOM 912 O GLY A 59 5.256 6.494 -3.187 1.00 0.00 O ATOM 0 H GLY A 59 1.571 6.365 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.910 4.630 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.857 5.268 -2.951 1.00 0.00 H new ATOM 916 N LYS A 60 4.207 7.621 -1.626 1.00 0.00 N ATOM 917 CA LYS A 60 5.027 8.837 -1.734 1.00 0.00 C ATOM 918 C LYS A 60 6.537 8.558 -1.436 1.00 0.00 C ATOM 919 O LYS A 60 7.394 9.065 -2.132 1.00 0.00 O ATOM 920 CB LYS A 60 4.431 9.815 -0.678 1.00 0.00 C ATOM 921 CG LYS A 60 5.113 11.262 -0.719 1.00 0.00 C ATOM 922 CD LYS A 60 4.500 12.158 0.377 1.00 0.00 C ATOM 923 CE LYS A 60 5.020 11.758 1.773 1.00 0.00 C ATOM 924 NZ LYS A 60 3.943 11.036 2.511 1.00 0.00 N ATOM 0 H LYS A 60 3.473 7.684 -0.921 1.00 0.00 H new ATOM 0 HA LYS A 60 5.000 9.242 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.359 9.918 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.555 9.388 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.189 11.172 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.965 11.717 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.746 13.201 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.413 12.077 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.900 11.123 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.326 12.645 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.370 10.402 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.330 11.725 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.377 10.478 1.841 1.00 0.00 H new ATOM 938 N ASP A 61 6.865 7.764 -0.449 1.00 0.00 N ATOM 939 CA ASP A 61 8.320 7.451 -0.133 1.00 0.00 C ATOM 940 C ASP A 61 8.893 6.514 -1.213 1.00 0.00 C ATOM 941 O ASP A 61 10.076 6.235 -1.244 1.00 0.00 O ATOM 942 CB ASP A 61 8.451 6.795 1.243 1.00 0.00 C ATOM 943 CG ASP A 61 7.521 5.577 1.314 1.00 0.00 C ATOM 944 OD1 ASP A 61 6.650 5.469 0.468 1.00 0.00 O ATOM 945 OD2 ASP A 61 7.700 4.770 2.215 1.00 0.00 O ATOM 0 H ASP A 61 6.191 7.308 0.166 1.00 0.00 H new ATOM 0 HA ASP A 61 8.881 8.386 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.483 6.490 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.194 7.509 2.025 1.00 0.00 H new ATOM 950 N GLN A 62 8.041 5.952 -2.019 1.00 0.00 N ATOM 951 CA GLN A 62 8.483 4.965 -3.059 1.00 0.00 C ATOM 952 C GLN A 62 8.627 5.591 -4.414 1.00 0.00 C ATOM 953 O GLN A 62 7.826 6.375 -4.866 1.00 0.00 O ATOM 954 CB GLN A 62 7.358 3.958 -3.207 1.00 0.00 C ATOM 955 CG GLN A 62 7.270 3.093 -1.894 1.00 0.00 C ATOM 956 CD GLN A 62 6.162 2.035 -2.016 1.00 0.00 C ATOM 957 OE1 GLN A 62 6.222 0.998 -1.385 1.00 0.00 O ATOM 958 NE2 GLN A 62 5.149 2.256 -2.807 1.00 0.00 N ATOM 0 H GLN A 62 7.037 6.133 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 62 9.439 4.546 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.413 4.472 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.538 3.316 -4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.227 2.605 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.071 3.739 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.096 3.126 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.409 1.559 -2.895 1.00 0.00 H new ATOM 967 N THR A 63 9.648 5.194 -5.087 1.00 0.00 N ATOM 968 CA THR A 63 9.861 5.724 -6.430 1.00 0.00 C ATOM 969 C THR A 63 8.836 5.130 -7.391 1.00 0.00 C ATOM 970 O THR A 63 8.131 4.202 -7.082 1.00 0.00 O ATOM 971 CB THR A 63 11.309 5.459 -6.890 1.00 0.00 C ATOM 972 OG1 THR A 63 11.434 4.089 -7.250 1.00 0.00 O ATOM 973 CG2 THR A 63 12.300 5.777 -5.761 1.00 0.00 C ATOM 0 H THR A 63 10.344 4.523 -4.761 1.00 0.00 H new ATOM 0 HA THR A 63 9.720 6.805 -6.421 1.00 0.00 H new ATOM 0 HB THR A 63 11.534 6.098 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.351 3.911 -7.546 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.316 5.584 -6.104 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.205 6.825 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.083 5.148 -4.898 1.00 0.00 H new ATOM 981 N GLU A 64 8.819 5.685 -8.567 1.00 0.00 N ATOM 982 CA GLU A 64 7.923 5.262 -9.689 1.00 0.00 C ATOM 983 C GLU A 64 8.122 3.788 -10.137 1.00 0.00 C ATOM 984 O GLU A 64 7.160 3.089 -10.328 1.00 0.00 O ATOM 985 CB GLU A 64 8.237 6.175 -10.888 1.00 0.00 C ATOM 986 CG GLU A 64 7.194 5.987 -11.996 1.00 0.00 C ATOM 987 CD GLU A 64 5.877 6.639 -11.571 1.00 0.00 C ATOM 988 OE1 GLU A 64 5.856 7.257 -10.518 1.00 0.00 O ATOM 989 OE2 GLU A 64 4.914 6.512 -12.306 1.00 0.00 O ATOM 0 H GLU A 64 9.428 6.465 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 64 6.894 5.343 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.250 7.216 -10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.231 5.949 -11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.550 6.433 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.041 4.925 -12.190 1.00 0.00 H new ATOM 996 N SER A 65 9.320 3.316 -10.374 1.00 0.00 N ATOM 997 CA SER A 65 9.492 1.935 -10.835 1.00 0.00 C ATOM 998 C SER A 65 9.125 0.945 -9.742 1.00 0.00 C ATOM 999 O SER A 65 8.717 -0.136 -10.018 1.00 0.00 O ATOM 1000 CB SER A 65 10.958 1.770 -11.242 1.00 0.00 C ATOM 1001 OG SER A 65 11.781 1.944 -10.098 1.00 0.00 O ATOM 0 H SER A 65 10.185 3.845 -10.262 1.00 0.00 H new ATOM 0 HA SER A 65 8.833 1.734 -11.680 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.119 0.782 -11.674 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.220 2.500 -12.008 1.00 0.00 H new ATOM 0 HG SER A 65 12.721 1.838 -10.352 1.00 0.00 H new ATOM 1007 N TRP A 66 9.198 1.286 -8.503 1.00 0.00 N ATOM 1008 CA TRP A 66 8.822 0.284 -7.464 1.00 0.00 C ATOM 1009 C TRP A 66 7.342 0.047 -7.648 1.00 0.00 C ATOM 1010 O TRP A 66 6.845 -1.021 -7.624 1.00 0.00 O ATOM 1011 CB TRP A 66 9.139 0.772 -6.050 1.00 0.00 C ATOM 1012 CG TRP A 66 9.024 -0.358 -5.110 1.00 0.00 C ATOM 1013 CD1 TRP A 66 7.934 -0.651 -4.401 1.00 0.00 C ATOM 1014 CD2 TRP A 66 10.038 -1.314 -4.730 1.00 0.00 C ATOM 1015 NE1 TRP A 66 8.177 -1.798 -3.666 1.00 0.00 N ATOM 1016 CE2 TRP A 66 9.480 -2.213 -3.802 1.00 0.00 C ATOM 1017 CE3 TRP A 66 11.382 -1.490 -5.112 1.00 0.00 C ATOM 1018 CZ2 TRP A 66 10.232 -3.252 -3.254 1.00 0.00 C ATOM 1019 CZ3 TRP A 66 12.141 -2.528 -4.559 1.00 0.00 C ATOM 1020 CH2 TRP A 66 11.571 -3.408 -3.625 1.00 0.00 C ATOM 0 H TRP A 66 9.495 2.198 -8.155 1.00 0.00 H new ATOM 0 HA TRP A 66 9.396 -0.635 -7.581 1.00 0.00 H new ATOM 0 HB2 TRP A 66 10.145 1.190 -6.014 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.452 1.569 -5.765 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.013 -0.086 -4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.478 -2.275 -3.096 1.00 0.00 H new ATOM 0 HE3 TRP A 66 11.828 -0.822 -5.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.782 -3.933 -2.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.173 -2.653 -4.853 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.164 -4.202 -3.195 1.00 0.00 H new ATOM 1031 N TRP A 67 6.631 1.092 -7.822 1.00 0.00 N ATOM 1032 CA TRP A 67 5.187 0.945 -7.955 1.00 0.00 C ATOM 1033 C TRP A 67 5.013 0.209 -9.312 1.00 0.00 C ATOM 1034 O TRP A 67 4.381 -0.842 -9.394 1.00 0.00 O ATOM 1035 CB TRP A 67 4.519 2.334 -7.932 1.00 0.00 C ATOM 1036 CG TRP A 67 4.155 2.809 -6.504 1.00 0.00 C ATOM 1037 CD1 TRP A 67 4.631 3.907 -5.812 1.00 0.00 C ATOM 1038 CD2 TRP A 67 3.211 2.176 -5.579 1.00 0.00 C ATOM 1039 NE1 TRP A 67 4.007 3.998 -4.597 1.00 0.00 N ATOM 1040 CE2 TRP A 67 3.135 2.952 -4.383 1.00 0.00 C ATOM 1041 CE3 TRP A 67 2.403 1.016 -5.669 1.00 0.00 C ATOM 1042 CZ2 TRP A 67 2.295 2.590 -3.325 1.00 0.00 C ATOM 1043 CZ3 TRP A 67 1.559 0.645 -4.601 1.00 0.00 C ATOM 1044 CH2 TRP A 67 1.507 1.429 -3.431 1.00 0.00 C ATOM 0 H TRP A 67 6.987 2.046 -7.878 1.00 0.00 H new ATOM 0 HA TRP A 67 4.717 0.387 -7.145 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.190 3.061 -8.390 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.615 2.306 -8.541 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.383 4.591 -6.176 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.168 4.751 -3.929 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.433 0.410 -6.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.251 3.197 -2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.950 -0.244 -4.680 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.862 1.138 -2.615 1.00 0.00 H new ATOM 1055 N LYS A 68 5.678 0.686 -10.348 1.00 0.00 N ATOM 1056 CA LYS A 68 5.593 -0.004 -11.698 1.00 0.00 C ATOM 1057 C LYS A 68 5.873 -1.478 -11.475 1.00 0.00 C ATOM 1058 O LYS A 68 5.167 -2.355 -11.927 1.00 0.00 O ATOM 1059 CB LYS A 68 6.651 0.577 -12.717 1.00 0.00 C ATOM 1060 CG LYS A 68 6.298 0.326 -14.245 1.00 0.00 C ATOM 1061 CD LYS A 68 5.171 1.288 -14.733 1.00 0.00 C ATOM 1062 CE LYS A 68 4.926 1.112 -16.242 1.00 0.00 C ATOM 1063 NZ LYS A 68 6.110 1.599 -17.002 1.00 0.00 N ATOM 0 H LYS A 68 6.272 1.515 -10.324 1.00 0.00 H new ATOM 0 HA LYS A 68 4.603 0.159 -12.123 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.746 1.650 -12.550 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.624 0.134 -12.504 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.190 0.469 -14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.981 -0.708 -14.382 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.251 1.088 -14.184 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.450 2.320 -14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.742 0.062 -16.470 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.036 1.665 -16.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.841 1.767 -17.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.452 2.486 -16.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.865 0.884 -16.965 1.00 0.00 H new ATOM 1077 N ALA A 69 6.942 -1.722 -10.804 1.00 0.00 N ATOM 1078 CA ALA A 69 7.381 -3.080 -10.531 1.00 0.00 C ATOM 1079 C ALA A 69 6.347 -3.803 -9.662 1.00 0.00 C ATOM 1080 O ALA A 69 6.045 -4.945 -9.896 1.00 0.00 O ATOM 1081 CB ALA A 69 8.745 -3.033 -9.848 1.00 0.00 C ATOM 0 H ALA A 69 7.550 -0.998 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 69 7.475 -3.636 -11.464 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.083 -4.048 -9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.463 -2.539 -10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.665 -2.478 -8.913 1.00 0.00 H new ATOM 1087 N PHE A 70 5.795 -3.148 -8.674 1.00 0.00 N ATOM 1088 CA PHE A 70 4.770 -3.829 -7.794 1.00 0.00 C ATOM 1089 C PHE A 70 3.563 -4.255 -8.631 1.00 0.00 C ATOM 1090 O PHE A 70 3.073 -5.359 -8.516 1.00 0.00 O ATOM 1091 CB PHE A 70 4.274 -2.860 -6.740 1.00 0.00 C ATOM 1092 CG PHE A 70 3.320 -3.484 -5.748 1.00 0.00 C ATOM 1093 CD1 PHE A 70 3.748 -4.578 -4.972 1.00 0.00 C ATOM 1094 CD2 PHE A 70 1.991 -3.029 -5.656 1.00 0.00 C ATOM 1095 CE1 PHE A 70 2.847 -5.216 -4.099 1.00 0.00 C ATOM 1096 CE2 PHE A 70 1.092 -3.663 -4.777 1.00 0.00 C ATOM 1097 CZ PHE A 70 1.520 -4.758 -4.004 1.00 0.00 C ATOM 0 H PHE A 70 6.000 -2.179 -8.431 1.00 0.00 H new ATOM 0 HA PHE A 70 5.240 -4.697 -7.330 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.130 -2.452 -6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.778 -2.023 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.767 -4.927 -5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.662 -2.195 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.174 -6.055 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.075 -3.309 -4.696 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.828 -5.248 -3.336 1.00 0.00 H new ATOM 1107 N SER A 71 3.078 -3.373 -9.477 1.00 0.00 N ATOM 1108 CA SER A 71 1.904 -3.740 -10.314 1.00 0.00 C ATOM 1109 C SER A 71 2.217 -5.017 -11.102 1.00 0.00 C ATOM 1110 O SER A 71 1.388 -5.896 -11.245 1.00 0.00 O ATOM 1111 CB SER A 71 1.602 -2.603 -11.291 1.00 0.00 C ATOM 1112 OG SER A 71 1.299 -1.422 -10.561 1.00 0.00 O ATOM 0 H SER A 71 3.442 -2.431 -9.618 1.00 0.00 H new ATOM 0 HA SER A 71 1.039 -3.911 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.459 -2.431 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.763 -2.873 -11.932 1.00 0.00 H new ATOM 0 HG SER A 71 0.676 -0.869 -11.077 1.00 0.00 H new ATOM 1118 N ARG A 72 3.415 -5.111 -11.613 1.00 0.00 N ATOM 1119 CA ARG A 72 3.815 -6.316 -12.398 1.00 0.00 C ATOM 1120 C ARG A 72 3.764 -7.572 -11.510 1.00 0.00 C ATOM 1121 O ARG A 72 3.306 -8.618 -11.923 1.00 0.00 O ATOM 1122 CB ARG A 72 5.242 -6.071 -12.933 1.00 0.00 C ATOM 1123 CG ARG A 72 5.708 -7.219 -13.838 1.00 0.00 C ATOM 1124 CD ARG A 72 7.040 -6.844 -14.494 1.00 0.00 C ATOM 1125 NE ARG A 72 6.823 -5.727 -15.457 1.00 0.00 N ATOM 1126 CZ ARG A 72 7.697 -5.499 -16.402 1.00 0.00 C ATOM 1127 NH1 ARG A 72 8.762 -6.250 -16.499 1.00 0.00 N ATOM 1128 NH2 ARG A 72 7.504 -4.525 -17.247 1.00 0.00 N ATOM 0 H ARG A 72 4.140 -4.399 -11.520 1.00 0.00 H new ATOM 0 HA ARG A 72 3.130 -6.481 -13.229 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.267 -5.134 -13.490 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.932 -5.963 -12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.822 -8.133 -13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.958 -7.421 -14.603 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.761 -6.547 -13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.459 -7.708 -15.011 1.00 0.00 H new ATOM 0 HE ARG A 72 5.992 -5.140 -15.379 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.910 -7.013 -15.838 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.445 -6.074 -17.236 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.671 -3.941 -17.171 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.186 -4.347 -17.984 1.00 0.00 H new ATOM 1142 N GLN A 73 4.242 -7.480 -10.303 1.00 0.00 N ATOM 1143 CA GLN A 73 4.235 -8.662 -9.389 1.00 0.00 C ATOM 1144 C GLN A 73 2.815 -9.258 -9.256 1.00 0.00 C ATOM 1145 O GLN A 73 2.631 -10.465 -9.268 1.00 0.00 O ATOM 1146 CB GLN A 73 4.702 -8.225 -7.986 1.00 0.00 C ATOM 1147 CG GLN A 73 6.167 -7.780 -7.985 1.00 0.00 C ATOM 1148 CD GLN A 73 6.607 -7.487 -6.517 1.00 0.00 C ATOM 1149 OE1 GLN A 73 6.008 -7.987 -5.591 1.00 0.00 O ATOM 1150 NE2 GLN A 73 7.618 -6.666 -6.268 1.00 0.00 N ATOM 0 H GLN A 73 4.642 -6.631 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 73 4.903 -9.415 -9.809 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.074 -7.407 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.573 -9.051 -7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.797 -8.557 -8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.290 -6.889 -8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.130 -6.239 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.884 -6.462 -5.305 1.00 0.00 H new ATOM 1159 N LEU A 74 1.818 -8.418 -9.091 1.00 0.00 N ATOM 1160 CA LEU A 74 0.406 -8.910 -8.918 1.00 0.00 C ATOM 1161 C LEU A 74 -0.139 -9.613 -10.174 1.00 0.00 C ATOM 1162 O LEU A 74 -0.890 -10.563 -10.079 1.00 0.00 O ATOM 1163 CB LEU A 74 -0.500 -7.712 -8.592 1.00 0.00 C ATOM 1164 CG LEU A 74 0.146 -6.853 -7.467 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.791 -5.680 -7.077 1.00 0.00 C ATOM 1166 CD2 LEU A 74 0.460 -7.712 -6.208 1.00 0.00 C ATOM 0 H LEU A 74 1.921 -7.403 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 74 0.412 -9.641 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.651 -7.105 -9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.482 -8.063 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 74 1.084 -6.454 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.325 -5.089 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.966 -5.049 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.741 -6.077 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.910 -7.082 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.463 -8.147 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.153 -8.510 -6.475 1.00 0.00 H new ATOM 1178 N ILE A 75 0.184 -9.124 -11.336 1.00 0.00 N ATOM 1179 CA ILE A 75 -0.360 -9.748 -12.586 1.00 0.00 C ATOM 1180 C ILE A 75 0.096 -11.206 -12.749 1.00 0.00 C ATOM 1181 O ILE A 75 -0.688 -12.074 -13.082 1.00 0.00 O ATOM 1182 CB ILE A 75 0.115 -8.937 -13.790 1.00 0.00 C ATOM 1183 CG1 ILE A 75 -0.496 -7.533 -13.726 1.00 0.00 C ATOM 1184 CG2 ILE A 75 -0.325 -9.629 -15.081 1.00 0.00 C ATOM 1185 CD1 ILE A 75 0.199 -6.619 -14.739 1.00 0.00 C ATOM 0 H ILE A 75 0.798 -8.323 -11.481 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.448 -9.746 -12.518 1.00 0.00 H new ATOM 0 HB ILE A 75 1.202 -8.864 -13.775 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.564 -7.581 -13.938 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.389 -7.125 -12.721 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.015 -9.049 -15.939 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.108 -10.628 -15.124 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.412 -9.704 -15.101 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.239 -5.622 -14.690 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.262 -6.560 -14.506 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.069 -7.023 -15.743 1.00 0.00 H new ATOM 1197 N THR A 76 1.359 -11.475 -12.571 1.00 0.00 N ATOM 1198 CA THR A 76 1.868 -12.874 -12.745 1.00 0.00 C ATOM 1199 C THR A 76 1.310 -13.815 -11.667 1.00 0.00 C ATOM 1200 O THR A 76 0.962 -14.943 -11.953 1.00 0.00 O ATOM 1201 CB THR A 76 3.398 -12.868 -12.673 1.00 0.00 C ATOM 1202 OG1 THR A 76 3.901 -11.834 -13.507 1.00 0.00 O ATOM 1203 CG2 THR A 76 3.947 -14.218 -13.145 1.00 0.00 C ATOM 0 H THR A 76 2.067 -10.788 -12.312 1.00 0.00 H new ATOM 0 HA THR A 76 1.535 -13.239 -13.717 1.00 0.00 H new ATOM 0 HB THR A 76 3.711 -12.696 -11.643 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.880 -11.825 -13.463 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.036 -14.207 -13.091 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.560 -15.012 -12.506 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.636 -14.397 -14.174 1.00 0.00 H new ATOM 1211 N GLU A 77 1.245 -13.390 -10.436 1.00 0.00 N ATOM 1212 CA GLU A 77 0.737 -14.307 -9.366 1.00 0.00 C ATOM 1213 C GLU A 77 -0.706 -14.753 -9.655 1.00 0.00 C ATOM 1214 O GLU A 77 -1.134 -15.792 -9.197 1.00 0.00 O ATOM 1215 CB GLU A 77 0.783 -13.576 -8.018 1.00 0.00 C ATOM 1216 CG GLU A 77 2.236 -13.259 -7.654 1.00 0.00 C ATOM 1217 CD GLU A 77 2.266 -12.472 -6.346 1.00 0.00 C ATOM 1218 OE1 GLU A 77 1.204 -12.120 -5.862 1.00 0.00 O ATOM 1219 OE2 GLU A 77 3.353 -12.236 -5.842 1.00 0.00 O ATOM 0 H GLU A 77 1.517 -12.458 -10.122 1.00 0.00 H new ATOM 0 HA GLU A 77 1.369 -15.194 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.202 -12.655 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.330 -14.194 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.807 -14.182 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.705 -12.682 -8.451 1.00 0.00 H new ATOM 1226 N GLY A 78 -1.472 -13.984 -10.385 1.00 0.00 N ATOM 1227 CA GLY A 78 -2.883 -14.403 -10.674 1.00 0.00 C ATOM 1228 C GLY A 78 -3.819 -13.520 -9.847 1.00 0.00 C ATOM 1229 O GLY A 78 -5.008 -13.433 -10.092 1.00 0.00 O ATOM 0 H GLY A 78 -1.189 -13.092 -10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.101 -14.298 -11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.028 -15.453 -10.421 1.00 0.00 H new ATOM 1233 N PHE A 79 -3.260 -12.836 -8.893 1.00 0.00 N ATOM 1234 CA PHE A 79 -4.029 -11.912 -8.013 1.00 0.00 C ATOM 1235 C PHE A 79 -4.732 -10.863 -8.883 1.00 0.00 C ATOM 1236 O PHE A 79 -5.806 -10.402 -8.563 1.00 0.00 O ATOM 1237 CB PHE A 79 -2.998 -11.232 -7.101 1.00 0.00 C ATOM 1238 CG PHE A 79 -2.829 -11.999 -5.801 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -2.150 -13.231 -5.813 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -3.350 -11.499 -4.585 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -1.987 -13.963 -4.619 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -3.186 -12.231 -3.395 1.00 0.00 C ATOM 1243 CZ PHE A 79 -2.502 -13.462 -3.412 1.00 0.00 C ATOM 0 H PHE A 79 -2.264 -12.880 -8.678 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.785 -12.437 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.039 -11.167 -7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.315 -10.211 -6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.752 -13.617 -6.740 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.874 -10.555 -4.570 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.466 -14.909 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.585 -11.849 -2.467 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.373 -14.021 -2.497 1.00 0.00 H new ATOM 1253 N LEU A 80 -4.115 -10.449 -9.967 1.00 0.00 N ATOM 1254 CA LEU A 80 -4.744 -9.403 -10.840 1.00 0.00 C ATOM 1255 C LEU A 80 -4.619 -9.777 -12.330 1.00 0.00 C ATOM 1256 O LEU A 80 -3.656 -10.368 -12.773 1.00 0.00 O ATOM 1257 CB LEU A 80 -4.017 -8.061 -10.567 1.00 0.00 C ATOM 1258 CG LEU A 80 -4.698 -6.868 -11.271 1.00 0.00 C ATOM 1259 CD1 LEU A 80 -5.982 -6.466 -10.527 1.00 0.00 C ATOM 1260 CD2 LEU A 80 -3.723 -5.677 -11.382 1.00 0.00 C ATOM 0 H LEU A 80 -3.207 -10.789 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.807 -9.322 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.990 -7.878 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.983 -8.136 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.975 -7.171 -12.281 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.449 -5.623 -11.037 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.673 -7.309 -10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.736 -6.180 -9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.220 -4.845 -11.881 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.411 -5.368 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.848 -5.976 -11.959 1.00 0.00 H new ATOM 1272 N VAL A 81 -5.607 -9.385 -13.091 1.00 0.00 N ATOM 1273 CA VAL A 81 -5.642 -9.652 -14.561 1.00 0.00 C ATOM 1274 C VAL A 81 -5.890 -8.298 -15.235 1.00 0.00 C ATOM 1275 O VAL A 81 -6.640 -7.502 -14.721 1.00 0.00 O ATOM 1276 CB VAL A 81 -6.788 -10.618 -14.894 1.00 0.00 C ATOM 1277 CG1 VAL A 81 -8.132 -9.886 -14.779 1.00 0.00 C ATOM 1278 CG2 VAL A 81 -6.612 -11.147 -16.325 1.00 0.00 C ATOM 0 H VAL A 81 -6.418 -8.874 -12.742 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.713 -10.107 -14.904 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.772 -11.452 -14.193 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.943 -10.575 -15.016 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.258 -9.514 -13.762 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.151 -9.049 -15.477 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.425 -11.833 -16.562 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.626 -10.312 -17.026 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.660 -11.672 -16.404 1.00 0.00 H new ATOM 1288 N GLU A 82 -5.276 -8.001 -16.353 1.00 0.00 N ATOM 1289 CA GLU A 82 -5.527 -6.655 -16.985 1.00 0.00 C ATOM 1290 C GLU A 82 -6.207 -6.795 -18.338 1.00 0.00 C ATOM 1291 O GLU A 82 -5.837 -7.629 -19.141 1.00 0.00 O ATOM 1292 CB GLU A 82 -4.196 -5.908 -17.143 1.00 0.00 C ATOM 1293 CG GLU A 82 -3.600 -5.608 -15.761 1.00 0.00 C ATOM 1294 CD GLU A 82 -2.225 -4.953 -15.923 1.00 0.00 C ATOM 1295 OE1 GLU A 82 -1.494 -5.366 -16.806 1.00 0.00 O ATOM 1296 OE2 GLU A 82 -1.931 -4.048 -15.160 1.00 0.00 O ATOM 0 H GLU A 82 -4.626 -8.610 -16.850 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.193 -6.090 -16.334 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.499 -6.509 -17.727 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.353 -4.979 -17.691 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.264 -4.948 -15.203 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.509 -6.529 -15.186 1.00 0.00 H new ATOM 1303 N VAL A 83 -7.202 -5.974 -18.619 1.00 0.00 N ATOM 1304 CA VAL A 83 -7.869 -6.090 -19.940 1.00 0.00 C ATOM 1305 C VAL A 83 -7.425 -4.916 -20.799 1.00 0.00 C ATOM 1306 O VAL A 83 -7.616 -3.738 -20.489 1.00 0.00 O ATOM 1307 CB VAL A 83 -9.388 -6.100 -19.774 1.00 0.00 C ATOM 1308 CG1 VAL A 83 -10.047 -6.666 -21.033 1.00 0.00 C ATOM 1309 CG2 VAL A 83 -9.759 -6.981 -18.574 1.00 0.00 C ATOM 0 H VAL A 83 -7.565 -5.250 -18.000 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.588 -7.027 -20.422 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.737 -5.080 -19.611 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.130 -6.670 -20.907 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.784 -6.047 -21.891 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.698 -7.685 -21.200 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.842 -6.991 -18.451 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.403 -7.997 -18.745 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.296 -6.581 -17.672 1.00 0.00 H new ATOM 1319 N SER A 84 -6.867 -5.271 -21.900 1.00 0.00 N ATOM 1320 CA SER A 84 -6.370 -4.291 -22.872 1.00 0.00 C ATOM 1321 C SER A 84 -7.498 -3.875 -23.783 1.00 0.00 C ATOM 1322 O SER A 84 -7.350 -2.962 -24.553 1.00 0.00 O ATOM 1323 CB SER A 84 -5.182 -4.840 -23.665 1.00 0.00 C ATOM 1324 OG SER A 84 -4.682 -3.822 -24.521 1.00 0.00 O ATOM 0 H SER A 84 -6.729 -6.243 -22.178 1.00 0.00 H new ATOM 0 HA SER A 84 -6.008 -3.414 -22.335 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.400 -5.177 -22.985 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.489 -5.706 -24.251 1.00 0.00 H new ATOM 0 HG SER A 84 -5.375 -3.144 -24.662 1.00 0.00 H new ATOM 1330 N ARG A 85 -8.597 -4.588 -23.799 1.00 0.00 N ATOM 1331 CA ARG A 85 -9.681 -4.228 -24.761 1.00 0.00 C ATOM 1332 C ARG A 85 -10.536 -3.116 -24.150 1.00 0.00 C ATOM 1333 O ARG A 85 -11.637 -2.791 -24.543 1.00 0.00 O ATOM 1334 CB ARG A 85 -10.554 -5.467 -25.022 1.00 0.00 C ATOM 1335 CG ARG A 85 -9.787 -6.515 -25.884 1.00 0.00 C ATOM 1336 CD ARG A 85 -10.667 -7.753 -26.120 1.00 0.00 C ATOM 1337 NE ARG A 85 -9.939 -8.732 -26.972 1.00 0.00 N ATOM 1338 CZ ARG A 85 -10.511 -9.857 -27.302 1.00 0.00 C ATOM 1339 NH1 ARG A 85 -11.716 -10.124 -26.879 1.00 0.00 N ATOM 1340 NH2 ARG A 85 -9.881 -10.717 -28.056 1.00 0.00 N ATOM 0 H ARG A 85 -8.788 -5.390 -23.198 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.250 -3.884 -25.701 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.849 -5.916 -24.073 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.470 -5.170 -25.533 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.504 -6.074 -26.839 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.865 -6.806 -25.381 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.930 -8.211 -25.167 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.600 -7.461 -26.601 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.995 -8.524 -27.297 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.210 -9.453 -26.291 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.164 -11.003 -27.137 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.939 -10.510 -28.388 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.331 -11.596 -28.312 1.00 0.00 H new ATOM 1354 N TYR A 86 -9.973 -2.653 -23.068 1.00 0.00 N ATOM 1355 CA TYR A 86 -10.541 -1.640 -22.144 1.00 0.00 C ATOM 1356 C TYR A 86 -9.480 -0.678 -21.574 1.00 0.00 C ATOM 1357 O TYR A 86 -8.550 -1.067 -20.899 1.00 0.00 O ATOM 1358 CB TYR A 86 -11.183 -2.441 -20.976 1.00 0.00 C ATOM 1359 CG TYR A 86 -12.585 -2.895 -21.351 1.00 0.00 C ATOM 1360 CD1 TYR A 86 -12.772 -4.047 -22.144 1.00 0.00 C ATOM 1361 CD2 TYR A 86 -13.701 -2.155 -20.907 1.00 0.00 C ATOM 1362 CE1 TYR A 86 -14.073 -4.459 -22.488 1.00 0.00 C ATOM 1363 CE2 TYR A 86 -15.001 -2.573 -21.252 1.00 0.00 C ATOM 1364 CZ TYR A 86 -15.188 -3.722 -22.044 1.00 0.00 C ATOM 1365 OH TYR A 86 -16.461 -4.128 -22.383 1.00 0.00 O ATOM 0 H TYR A 86 -9.053 -2.974 -22.767 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.255 -1.018 -22.684 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.565 -3.307 -20.738 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.222 -1.821 -20.080 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.918 -4.612 -22.487 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.559 -1.270 -20.304 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.217 -5.342 -23.093 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.857 -2.011 -20.908 1.00 0.00 H new ATOM 0 HH TYR A 86 -17.116 -3.510 -21.995 1.00 0.00 H new ATOM 1375 N ASN A 87 -9.634 0.571 -21.953 1.00 0.00 N ATOM 1376 CA ASN A 87 -8.717 1.713 -21.600 1.00 0.00 C ATOM 1377 C ASN A 87 -7.369 1.517 -22.309 1.00 0.00 C ATOM 1378 O ASN A 87 -6.389 1.175 -21.681 1.00 0.00 O ATOM 1379 CB ASN A 87 -8.485 1.791 -20.087 1.00 0.00 C ATOM 1380 CG ASN A 87 -9.714 2.403 -19.414 1.00 0.00 C ATOM 1381 OD1 ASN A 87 -9.740 3.578 -19.114 1.00 0.00 O ATOM 1382 ND2 ASN A 87 -10.750 1.644 -19.167 1.00 0.00 N ATOM 0 H ASN A 87 -10.417 0.865 -22.536 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.185 2.642 -21.924 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.295 0.796 -19.686 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.602 2.394 -19.874 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.578 2.040 -18.723 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.730 0.656 -19.419 1.00 0.00 H new ATOM 1389 N LYS A 88 -7.272 1.851 -23.573 1.00 0.00 N ATOM 1390 CA LYS A 88 -5.939 1.763 -24.255 1.00 0.00 C ATOM 1391 C LYS A 88 -5.043 2.831 -23.608 1.00 0.00 C ATOM 1392 O LYS A 88 -3.867 2.957 -23.882 1.00 0.00 O ATOM 1393 CB LYS A 88 -6.094 2.065 -25.750 1.00 0.00 C ATOM 1394 CG LYS A 88 -6.884 0.945 -26.435 1.00 0.00 C ATOM 1395 CD LYS A 88 -7.094 1.310 -27.906 1.00 0.00 C ATOM 1396 CE LYS A 88 -5.863 0.890 -28.709 1.00 0.00 C ATOM 1397 NZ LYS A 88 -5.649 -0.578 -28.557 1.00 0.00 N ATOM 0 H LYS A 88 -8.044 2.176 -24.156 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.512 0.766 -24.151 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.607 3.017 -25.885 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.112 2.163 -26.213 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.345 0.001 -26.355 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.846 0.806 -25.941 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.983 0.812 -28.293 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.260 2.383 -28.007 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.998 1.142 -29.761 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.985 1.434 -28.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.232 -0.960 -29.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.005 -0.754 -27.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.561 -1.045 -28.376 1.00 0.00 H new ATOM 1411 N PHE A 89 -5.646 3.560 -22.699 1.00 0.00 N ATOM 1412 CA PHE A 89 -4.976 4.653 -21.928 1.00 0.00 C ATOM 1413 C PHE A 89 -4.028 3.944 -20.965 1.00 0.00 C ATOM 1414 O PHE A 89 -2.983 4.435 -20.599 1.00 0.00 O ATOM 1415 CB PHE A 89 -6.009 5.472 -21.154 1.00 0.00 C ATOM 1416 CG PHE A 89 -6.650 6.476 -22.083 1.00 0.00 C ATOM 1417 CD1 PHE A 89 -5.945 7.629 -22.467 1.00 0.00 C ATOM 1418 CD2 PHE A 89 -7.950 6.252 -22.573 1.00 0.00 C ATOM 1419 CE1 PHE A 89 -6.540 8.565 -23.340 1.00 0.00 C ATOM 1420 CE2 PHE A 89 -8.546 7.184 -23.443 1.00 0.00 C ATOM 1421 CZ PHE A 89 -7.839 8.341 -23.828 1.00 0.00 C ATOM 0 H PHE A 89 -6.627 3.432 -22.450 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.448 5.347 -22.582 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.768 4.814 -20.731 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.531 5.985 -20.319 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.946 7.799 -22.094 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.491 5.364 -22.281 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.998 9.452 -23.633 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.545 7.013 -23.816 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.295 9.055 -24.498 1.00 0.00 H new ATOM 1431 N MET A 90 -4.490 2.836 -20.470 1.00 0.00 N ATOM 1432 CA MET A 90 -3.764 2.041 -19.436 1.00 0.00 C ATOM 1433 C MET A 90 -4.445 0.760 -18.972 1.00 0.00 C ATOM 1434 O MET A 90 -4.647 0.501 -17.805 1.00 0.00 O ATOM 1435 CB MET A 90 -3.557 2.914 -18.191 1.00 0.00 C ATOM 1436 CG MET A 90 -4.834 3.732 -17.878 1.00 0.00 C ATOM 1437 SD MET A 90 -4.834 4.208 -16.132 1.00 0.00 S ATOM 1438 CE MET A 90 -6.402 5.116 -16.137 1.00 0.00 C ATOM 0 H MET A 90 -5.382 2.428 -20.751 1.00 0.00 H new ATOM 0 HA MET A 90 -2.839 1.739 -19.926 1.00 0.00 H new ATOM 0 HB2 MET A 90 -3.304 2.285 -17.338 1.00 0.00 H new ATOM 0 HB3 MET A 90 -2.716 3.589 -18.350 1.00 0.00 H new ATOM 0 HG2 MET A 90 -4.873 4.621 -18.508 1.00 0.00 H new ATOM 0 HG3 MET A 90 -5.722 3.141 -18.105 1.00 0.00 H new ATOM 0 HE1 MET A 90 -6.815 5.134 -15.128 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.230 6.137 -16.477 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.105 4.624 -16.808 1.00 0.00 H new ATOM 1448 N LYS A 91 -4.739 -0.052 -19.971 1.00 0.00 N ATOM 1449 CA LYS A 91 -5.358 -1.392 -19.787 1.00 0.00 C ATOM 1450 C LYS A 91 -6.208 -1.483 -18.535 1.00 0.00 C ATOM 1451 O LYS A 91 -5.670 -1.788 -17.496 1.00 0.00 O ATOM 1452 CB LYS A 91 -4.234 -2.478 -19.756 1.00 0.00 C ATOM 1453 CG LYS A 91 -3.112 -2.243 -20.838 1.00 0.00 C ATOM 1454 CD LYS A 91 -1.898 -1.484 -20.223 1.00 0.00 C ATOM 1455 CE LYS A 91 -0.762 -1.274 -21.258 1.00 0.00 C ATOM 1456 NZ LYS A 91 0.364 -0.547 -20.614 1.00 0.00 N ATOM 0 H LYS A 91 -4.561 0.183 -20.948 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.028 -1.562 -20.629 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.778 -2.491 -18.766 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.682 -3.459 -19.914 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.782 -3.201 -21.239 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.519 -1.671 -21.672 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.228 -0.516 -19.845 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.514 -2.044 -19.371 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.418 -2.236 -21.638 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.133 -0.708 -22.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.127 -0.405 -21.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.030 0.377 -20.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.723 -1.104 -19.812 1.00 0.00 H new ATOM 1470 N ILE A 92 -7.533 -1.284 -18.537 1.00 0.00 N ATOM 1471 CA ILE A 92 -8.137 -1.430 -17.172 1.00 0.00 C ATOM 1472 C ILE A 92 -7.568 -2.532 -16.277 1.00 0.00 C ATOM 1473 O ILE A 92 -7.482 -3.686 -16.649 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.700 -1.533 -17.311 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -10.431 -0.753 -16.182 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -10.133 -3.009 -17.306 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -10.448 0.757 -16.481 1.00 0.00 C ATOM 0 H ILE A 92 -8.143 -1.056 -19.322 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.850 -0.528 -16.631 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.981 -1.077 -18.260 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -11.453 -1.120 -16.083 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.934 -0.934 -15.229 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.217 -3.071 -17.403 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.664 -3.529 -18.142 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.825 -3.475 -16.370 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.965 1.281 -15.677 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.425 1.125 -16.555 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.967 0.936 -17.423 1.00 0.00 H new ATOM 1489 N CYS A 93 -7.336 -2.193 -15.015 1.00 0.00 N ATOM 1490 CA CYS A 93 -6.887 -3.230 -14.075 1.00 0.00 C ATOM 1491 C CYS A 93 -8.210 -3.931 -13.723 1.00 0.00 C ATOM 1492 O CYS A 93 -9.203 -3.272 -13.492 1.00 0.00 O ATOM 1493 CB CYS A 93 -6.251 -2.596 -12.829 1.00 0.00 C ATOM 1494 SG CYS A 93 -4.677 -1.821 -13.287 1.00 0.00 S ATOM 0 H CYS A 93 -7.442 -1.257 -14.625 1.00 0.00 H new ATOM 0 HA CYS A 93 -6.128 -3.899 -14.480 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -6.924 -1.853 -12.401 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -6.087 -3.355 -12.064 1.00 0.00 H new ATOM 0 HG CYS A 93 -4.137 -1.281 -12.235 1.00 0.00 H new ATOM 1500 N ALA A 94 -8.275 -5.229 -13.741 1.00 0.00 N ATOM 1501 CA ALA A 94 -9.568 -5.919 -13.424 1.00 0.00 C ATOM 1502 C ALA A 94 -9.408 -6.911 -12.279 1.00 0.00 C ATOM 1503 O ALA A 94 -8.459 -7.670 -12.212 1.00 0.00 O ATOM 1504 CB ALA A 94 -10.038 -6.670 -14.676 1.00 0.00 C ATOM 0 H ALA A 94 -7.495 -5.848 -13.960 1.00 0.00 H new ATOM 0 HA ALA A 94 -10.297 -5.168 -13.119 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.978 -7.179 -14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.185 -5.962 -15.492 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.285 -7.404 -14.964 1.00 0.00 H new ATOM 1510 N LEU A 95 -10.357 -6.919 -11.380 1.00 0.00 N ATOM 1511 CA LEU A 95 -10.301 -7.849 -10.212 1.00 0.00 C ATOM 1512 C LEU A 95 -10.911 -9.190 -10.629 1.00 0.00 C ATOM 1513 O LEU A 95 -11.925 -9.237 -11.308 1.00 0.00 O ATOM 1514 CB LEU A 95 -11.079 -7.241 -9.028 1.00 0.00 C ATOM 1515 CG LEU A 95 -10.439 -5.920 -8.585 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -11.411 -5.131 -7.692 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -9.159 -6.228 -7.802 1.00 0.00 C ATOM 0 H LEU A 95 -11.178 -6.314 -11.405 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.269 -8.004 -9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.116 -7.070 -9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.091 -7.943 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.205 -5.319 -9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.944 -4.195 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.323 -4.916 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.655 -5.722 -6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.695 -5.295 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.404 -6.831 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.466 -6.778 -8.439 1.00 0.00 H new ATOM 1529 N THR A 96 -10.305 -10.289 -10.248 1.00 0.00 N ATOM 1530 CA THR A 96 -10.841 -11.642 -10.623 1.00 0.00 C ATOM 1531 C THR A 96 -11.526 -12.291 -9.416 1.00 0.00 C ATOM 1532 O THR A 96 -11.658 -11.696 -8.363 1.00 0.00 O ATOM 1533 CB THR A 96 -9.678 -12.526 -11.077 1.00 0.00 C ATOM 1534 OG1 THR A 96 -8.681 -12.553 -10.060 1.00 0.00 O ATOM 1535 CG2 THR A 96 -9.080 -11.966 -12.367 1.00 0.00 C ATOM 0 H THR A 96 -9.453 -10.309 -9.687 1.00 0.00 H new ATOM 0 HA THR A 96 -11.568 -11.532 -11.427 1.00 0.00 H new ATOM 0 HB THR A 96 -10.040 -13.538 -11.259 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.935 -13.120 -10.348 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.252 -12.598 -12.688 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.844 -11.947 -13.144 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.717 -10.954 -12.190 1.00 0.00 H new ATOM 1543 N LYS A 97 -11.963 -13.513 -9.566 1.00 0.00 N ATOM 1544 CA LYS A 97 -12.647 -14.220 -8.438 1.00 0.00 C ATOM 1545 C LYS A 97 -11.703 -14.284 -7.237 1.00 0.00 C ATOM 1546 O LYS A 97 -12.084 -13.994 -6.120 1.00 0.00 O ATOM 1547 CB LYS A 97 -13.013 -15.639 -8.868 1.00 0.00 C ATOM 1548 CG LYS A 97 -13.983 -15.582 -10.060 1.00 0.00 C ATOM 1549 CD LYS A 97 -15.342 -14.998 -9.631 1.00 0.00 C ATOM 1550 CE LYS A 97 -16.429 -15.399 -10.633 1.00 0.00 C ATOM 1551 NZ LYS A 97 -16.073 -14.885 -11.985 1.00 0.00 N ATOM 0 H LYS A 97 -11.876 -14.057 -10.425 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.553 -13.679 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.114 -16.190 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.473 -16.175 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.554 -14.972 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.124 -16.583 -10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.603 -15.358 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.276 -13.912 -9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.531 -16.484 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.392 -14.996 -10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.898 -14.960 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.782 -13.889 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.289 -15.447 -12.375 1.00 0.00 H new ATOM 1565 N LYS A 98 -10.475 -14.668 -7.459 1.00 0.00 N ATOM 1566 CA LYS A 98 -9.494 -14.760 -6.341 1.00 0.00 C ATOM 1567 C LYS A 98 -9.241 -13.365 -5.762 1.00 0.00 C ATOM 1568 O LYS A 98 -9.225 -13.175 -4.561 1.00 0.00 O ATOM 1569 CB LYS A 98 -8.181 -15.409 -6.871 1.00 0.00 C ATOM 1570 CG LYS A 98 -7.672 -14.786 -8.197 1.00 0.00 C ATOM 1571 CD LYS A 98 -6.688 -15.733 -8.896 1.00 0.00 C ATOM 1572 CE LYS A 98 -5.447 -15.916 -8.014 1.00 0.00 C ATOM 1573 NZ LYS A 98 -4.377 -16.598 -8.794 1.00 0.00 N ATOM 0 H LYS A 98 -10.107 -14.924 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.888 -15.385 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.405 -15.311 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.348 -16.476 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.516 -14.579 -8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.185 -13.832 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.162 -16.697 -9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.402 -15.327 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.093 -14.947 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.699 -16.504 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.459 -16.159 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.348 -17.605 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.577 -16.507 -9.811 1.00 0.00 H new ATOM 1587 N GLY A 99 -8.976 -12.407 -6.595 1.00 0.00 N ATOM 1588 CA GLY A 99 -8.671 -11.037 -6.073 1.00 0.00 C ATOM 1589 C GLY A 99 -9.944 -10.360 -5.539 1.00 0.00 C ATOM 1590 O GLY A 99 -9.890 -9.685 -4.554 1.00 0.00 O ATOM 0 H GLY A 99 -8.955 -12.503 -7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.928 -11.103 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.236 -10.429 -6.866 1.00 0.00 H new ATOM 1594 N ARG A 100 -11.085 -10.558 -6.148 1.00 0.00 N ATOM 1595 CA ARG A 100 -12.343 -9.901 -5.629 1.00 0.00 C ATOM 1596 C ARG A 100 -12.703 -10.501 -4.264 1.00 0.00 C ATOM 1597 O ARG A 100 -13.036 -9.788 -3.286 1.00 0.00 O ATOM 1598 CB ARG A 100 -13.490 -10.158 -6.612 1.00 0.00 C ATOM 1599 CG ARG A 100 -14.739 -9.414 -6.144 1.00 0.00 C ATOM 1600 CD ARG A 100 -15.853 -9.578 -7.182 1.00 0.00 C ATOM 1601 NE ARG A 100 -15.454 -8.909 -8.449 1.00 0.00 N ATOM 1602 CZ ARG A 100 -16.268 -8.902 -9.471 1.00 0.00 C ATOM 1603 NH1 ARG A 100 -17.429 -9.494 -9.384 1.00 0.00 N ATOM 1604 NH2 ARG A 100 -15.919 -8.307 -10.575 1.00 0.00 N ATOM 0 H ARG A 100 -11.209 -11.140 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 100 -12.180 -8.828 -5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.208 -9.825 -7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -13.694 -11.227 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -15.066 -9.803 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -14.513 -8.357 -6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.044 -10.636 -7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -16.781 -9.146 -6.807 1.00 0.00 H new ATOM 0 HE ARG A 100 -14.543 -8.455 -8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.700 -9.961 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.065 -9.489 -10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -15.011 -7.847 -10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -16.554 -8.301 -11.374 1.00 0.00 H new ATOM 1618 N ASN A 101 -12.582 -11.812 -4.157 1.00 0.00 N ATOM 1619 CA ASN A 101 -12.869 -12.463 -2.858 1.00 0.00 C ATOM 1620 C ASN A 101 -11.810 -11.943 -1.913 1.00 0.00 C ATOM 1621 O ASN A 101 -12.086 -11.530 -0.811 1.00 0.00 O ATOM 1622 CB ASN A 101 -12.772 -13.991 -2.981 1.00 0.00 C ATOM 1623 CG ASN A 101 -13.327 -14.646 -1.712 1.00 0.00 C ATOM 1624 OD1 ASN A 101 -14.328 -14.212 -1.180 1.00 0.00 O ATOM 1625 ND2 ASN A 101 -12.713 -15.678 -1.203 1.00 0.00 N ATOM 0 H ASN A 101 -12.300 -12.439 -4.910 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.877 -12.241 -2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.331 -14.332 -3.852 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.734 -14.289 -3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.074 -16.120 -0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.872 -16.043 -1.650 1.00 0.00 H new ATOM 1632 N TRP A 102 -10.592 -11.839 -2.387 1.00 0.00 N ATOM 1633 CA TRP A 102 -9.548 -11.264 -1.518 1.00 0.00 C ATOM 1634 C TRP A 102 -9.917 -9.826 -1.084 1.00 0.00 C ATOM 1635 O TRP A 102 -9.852 -9.473 0.073 1.00 0.00 O ATOM 1636 CB TRP A 102 -8.191 -11.217 -2.238 1.00 0.00 C ATOM 1637 CG TRP A 102 -7.135 -10.975 -1.199 1.00 0.00 C ATOM 1638 CD1 TRP A 102 -6.575 -11.928 -0.446 1.00 0.00 C ATOM 1639 CD2 TRP A 102 -6.589 -9.716 -0.732 1.00 0.00 C ATOM 1640 NE1 TRP A 102 -5.703 -11.346 0.457 1.00 0.00 N ATOM 1641 CE2 TRP A 102 -5.671 -9.980 0.319 1.00 0.00 C ATOM 1642 CE3 TRP A 102 -6.788 -8.382 -1.118 1.00 0.00 C ATOM 1643 CZ2 TRP A 102 -4.980 -8.949 0.969 1.00 0.00 C ATOM 1644 CZ3 TRP A 102 -6.098 -7.343 -0.471 1.00 0.00 C ATOM 1645 CH2 TRP A 102 -5.199 -7.621 0.566 1.00 0.00 C ATOM 0 H TRP A 102 -10.291 -12.124 -3.319 1.00 0.00 H new ATOM 0 HA TRP A 102 -9.476 -11.908 -0.641 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.004 -12.153 -2.764 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.181 -10.424 -2.986 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -6.773 -12.986 -0.530 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -5.153 -11.867 1.140 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -7.476 -8.152 -1.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.289 -9.172 1.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -6.263 -6.320 -0.776 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.674 -6.814 1.056 1.00 0.00 H new ATOM 1656 N LEU A 103 -10.283 -9.006 -2.049 1.00 0.00 N ATOM 1657 CA LEU A 103 -10.641 -7.576 -1.795 1.00 0.00 C ATOM 1658 C LEU A 103 -11.867 -7.489 -0.874 1.00 0.00 C ATOM 1659 O LEU A 103 -11.907 -6.691 0.043 1.00 0.00 O ATOM 1660 CB LEU A 103 -10.995 -6.908 -3.140 1.00 0.00 C ATOM 1661 CG LEU A 103 -11.488 -5.448 -2.930 1.00 0.00 C ATOM 1662 CD1 LEU A 103 -10.334 -4.554 -2.459 1.00 0.00 C ATOM 1663 CD2 LEU A 103 -12.034 -4.894 -4.252 1.00 0.00 C ATOM 0 H LEU A 103 -10.348 -9.283 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.796 -7.076 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.121 -6.909 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.769 -7.487 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.272 -5.454 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.697 -3.536 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.941 -4.934 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.543 -4.556 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.379 -3.871 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.245 -4.905 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.866 -5.512 -4.589 1.00 0.00 H new ATOM 1675 N HIS A 104 -12.875 -8.282 -1.115 1.00 0.00 N ATOM 1676 CA HIS A 104 -14.098 -8.221 -0.256 1.00 0.00 C ATOM 1677 C HIS A 104 -14.014 -9.099 1.009 1.00 0.00 C ATOM 1678 O HIS A 104 -14.862 -8.985 1.873 1.00 0.00 O ATOM 1679 CB HIS A 104 -15.304 -8.677 -1.085 1.00 0.00 C ATOM 1680 CG HIS A 104 -15.649 -7.627 -2.108 1.00 0.00 C ATOM 1681 ND1 HIS A 104 -16.700 -6.735 -1.931 1.00 0.00 N ATOM 1682 CD2 HIS A 104 -15.093 -7.314 -3.326 1.00 0.00 C ATOM 1683 CE1 HIS A 104 -16.745 -5.939 -3.019 1.00 0.00 C ATOM 1684 NE2 HIS A 104 -15.788 -6.252 -3.895 1.00 0.00 N ATOM 0 H HIS A 104 -12.907 -8.970 -1.868 1.00 0.00 H new ATOM 0 HA HIS A 104 -14.195 -7.188 0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -15.079 -9.621 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -16.158 -8.856 -0.432 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -14.247 -7.816 -3.772 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -17.465 -5.147 -3.163 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -15.605 -5.806 -4.794 1.00 0.00 H new ATOM 1693 N LYS A 105 -13.065 -10.017 1.128 1.00 0.00 N ATOM 1694 CA LYS A 105 -13.030 -10.896 2.354 1.00 0.00 C ATOM 1695 C LYS A 105 -11.877 -10.544 3.297 1.00 0.00 C ATOM 1696 O LYS A 105 -12.037 -10.613 4.497 1.00 0.00 O ATOM 1697 CB LYS A 105 -12.963 -12.385 1.920 1.00 0.00 C ATOM 1698 CG LYS A 105 -12.984 -13.326 3.139 1.00 0.00 C ATOM 1699 CD LYS A 105 -14.360 -13.278 3.809 1.00 0.00 C ATOM 1700 CE LYS A 105 -14.516 -14.486 4.729 1.00 0.00 C ATOM 1701 NZ LYS A 105 -15.850 -14.432 5.389 1.00 0.00 N ATOM 0 H LYS A 105 -12.329 -10.191 0.443 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.946 -10.722 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.805 -12.614 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.055 -12.557 1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.757 -14.345 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.213 -13.031 3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.467 -12.356 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.145 -13.278 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.417 -15.409 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.726 -14.490 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.960 -15.254 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.926 -13.557 5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.596 -14.447 4.665 1.00 0.00 H new ATOM 1715 N ALA A 106 -10.713 -10.215 2.793 1.00 0.00 N ATOM 1716 CA ALA A 106 -9.569 -9.917 3.774 1.00 0.00 C ATOM 1717 C ALA A 106 -9.660 -8.483 4.296 1.00 0.00 C ATOM 1718 O ALA A 106 -8.907 -8.065 5.153 1.00 0.00 O ATOM 1719 CB ALA A 106 -8.187 -10.077 3.115 1.00 0.00 C ATOM 0 H ALA A 106 -10.490 -10.137 1.801 1.00 0.00 H new ATOM 0 HA ALA A 106 -9.674 -10.635 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.408 -9.857 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.071 -11.100 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.102 -9.388 2.275 1.00 0.00 H new ATOM 1725 N ASN A 107 -10.539 -7.737 3.751 1.00 0.00 N ATOM 1726 CA ASN A 107 -10.698 -6.310 4.148 1.00 0.00 C ATOM 1727 C ASN A 107 -10.772 -6.153 5.678 1.00 0.00 C ATOM 1728 O ASN A 107 -10.318 -5.163 6.214 1.00 0.00 O ATOM 1729 CB ASN A 107 -11.982 -5.757 3.517 1.00 0.00 C ATOM 1730 CG ASN A 107 -11.671 -5.188 2.124 1.00 0.00 C ATOM 1731 OD1 ASN A 107 -12.484 -4.489 1.548 1.00 0.00 O ATOM 1732 ND2 ASN A 107 -10.531 -5.463 1.553 1.00 0.00 N ATOM 0 H ASN A 107 -11.182 -8.049 3.023 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.828 -5.756 3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.730 -6.546 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -12.405 -4.979 4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.323 -5.092 0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.848 -6.049 2.034 1.00 0.00 H new ATOM 1739 N THR A 108 -11.320 -7.105 6.401 1.00 0.00 N ATOM 1740 CA THR A 108 -11.365 -6.949 7.895 1.00 0.00 C ATOM 1741 C THR A 108 -9.939 -6.729 8.438 1.00 0.00 C ATOM 1742 O THR A 108 -9.449 -5.618 8.466 1.00 0.00 O ATOM 1743 CB THR A 108 -11.952 -8.217 8.510 1.00 0.00 C ATOM 1744 OG1 THR A 108 -11.272 -9.353 7.992 1.00 0.00 O ATOM 1745 CG2 THR A 108 -13.441 -8.309 8.168 1.00 0.00 C ATOM 0 H THR A 108 -11.729 -7.964 6.033 1.00 0.00 H new ATOM 0 HA THR A 108 -11.984 -6.090 8.154 1.00 0.00 H new ATOM 0 HB THR A 108 -11.832 -8.186 9.593 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.647 -10.167 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.860 -9.214 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.961 -7.438 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.564 -8.340 7.085 1.00 0.00 H new ATOM 1753 N GLU A 109 -9.257 -7.772 8.848 1.00 0.00 N ATOM 1754 CA GLU A 109 -7.892 -7.623 9.347 1.00 0.00 C ATOM 1755 C GLU A 109 -7.053 -8.814 8.857 1.00 0.00 C ATOM 1756 O GLU A 109 -6.659 -9.666 9.628 1.00 0.00 O ATOM 1757 CB GLU A 109 -7.987 -7.639 10.875 1.00 0.00 C ATOM 1758 CG GLU A 109 -8.682 -6.359 11.379 1.00 0.00 C ATOM 1759 CD GLU A 109 -8.764 -6.356 12.910 1.00 0.00 C ATOM 1760 OE1 GLU A 109 -8.323 -7.318 13.512 1.00 0.00 O ATOM 1761 OE2 GLU A 109 -9.255 -5.379 13.454 1.00 0.00 O ATOM 0 H GLU A 109 -9.612 -8.728 8.850 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.425 -6.703 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.544 -8.517 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.989 -7.714 11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.133 -5.482 11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.684 -6.292 10.956 1.00 0.00 H new ATOM 1768 N SER A 110 -6.770 -8.883 7.584 1.00 0.00 N ATOM 1769 CA SER A 110 -5.952 -10.028 7.084 1.00 0.00 C ATOM 1770 C SER A 110 -4.894 -9.464 6.140 1.00 0.00 C ATOM 1771 O SER A 110 -5.212 -8.851 5.153 1.00 0.00 O ATOM 1772 CB SER A 110 -6.850 -11.007 6.323 1.00 0.00 C ATOM 1773 OG SER A 110 -7.707 -11.669 7.241 1.00 0.00 O ATOM 0 H SER A 110 -7.064 -8.208 6.878 1.00 0.00 H new ATOM 0 HA SER A 110 -5.483 -10.556 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.440 -10.473 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.241 -11.735 5.786 1.00 0.00 H new ATOM 0 HG SER A 110 -8.284 -12.295 6.756 1.00 0.00 H new ATOM 1779 N GLN A 111 -3.640 -9.643 6.469 1.00 0.00 N ATOM 1780 CA GLN A 111 -2.530 -9.105 5.612 1.00 0.00 C ATOM 1781 C GLN A 111 -1.629 -10.262 5.192 1.00 0.00 C ATOM 1782 O GLN A 111 -0.733 -10.586 5.926 1.00 0.00 O ATOM 1783 CB GLN A 111 -1.696 -8.146 6.462 1.00 0.00 C ATOM 1784 CG GLN A 111 -2.502 -6.883 6.812 1.00 0.00 C ATOM 1785 CD GLN A 111 -1.711 -5.983 7.764 1.00 0.00 C ATOM 1786 OE1 GLN A 111 -0.976 -6.466 8.602 1.00 0.00 O ATOM 1787 NE2 GLN A 111 -1.823 -4.690 7.667 1.00 0.00 N ATOM 0 H GLN A 111 -3.331 -10.143 7.302 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.939 -8.601 4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -1.379 -8.646 7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.791 -7.867 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -2.742 -6.335 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -3.448 -7.166 7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -2.440 -4.283 6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.294 -4.084 8.294 1.00 0.00 H new ATOM 1796 N SER A 112 -1.803 -10.876 4.018 1.00 0.00 N ATOM 1797 CA SER A 112 -0.860 -12.003 3.672 1.00 0.00 C ATOM 1798 C SER A 112 -0.663 -12.047 2.145 1.00 0.00 C ATOM 1799 O SER A 112 -1.583 -12.095 1.357 1.00 0.00 O ATOM 1800 CB SER A 112 -1.497 -13.316 4.153 1.00 0.00 C ATOM 1801 OG SER A 112 -1.869 -13.204 5.515 1.00 0.00 O ATOM 0 H SER A 112 -2.518 -10.655 3.325 1.00 0.00 H new ATOM 0 HA SER A 112 0.109 -11.858 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.372 -13.549 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 112 -0.793 -14.139 4.026 1.00 0.00 H new ATOM 0 HG SER A 112 -2.276 -14.044 5.813 1.00 0.00 H new ATOM 1807 N LEU A 113 0.579 -12.086 1.771 1.00 0.00 N ATOM 1808 CA LEU A 113 1.043 -12.184 0.357 1.00 0.00 C ATOM 1809 C LEU A 113 2.560 -12.307 0.515 1.00 0.00 C ATOM 1810 O LEU A 113 3.214 -11.286 0.602 1.00 0.00 O ATOM 1811 CB LEU A 113 0.713 -10.869 -0.416 1.00 0.00 C ATOM 1812 CG LEU A 113 1.041 -10.935 -1.918 1.00 0.00 C ATOM 1813 CD1 LEU A 113 0.369 -12.148 -2.566 1.00 0.00 C ATOM 1814 CD2 LEU A 113 0.572 -9.650 -2.617 1.00 0.00 C ATOM 0 H LEU A 113 1.349 -12.051 2.439 1.00 0.00 H new ATOM 0 HA LEU A 113 0.579 -13.003 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.346 -10.643 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.269 -10.045 0.032 1.00 0.00 H new ATOM 0 HG LEU A 113 2.121 -11.033 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.614 -12.176 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.725 -13.060 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.712 -12.073 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.809 -9.707 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.505 -9.539 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.079 -8.791 -2.178 1.00 0.00 H new ATOM 1826 N ILE A 114 3.182 -13.445 0.348 1.00 0.00 N ATOM 1827 CA ILE A 114 4.671 -13.368 0.418 1.00 0.00 C ATOM 1828 C ILE A 114 4.790 -13.047 -1.077 1.00 0.00 C ATOM 1829 O ILE A 114 4.088 -13.655 -1.856 1.00 0.00 O ATOM 1830 CB ILE A 114 5.284 -14.725 0.894 1.00 0.00 C ATOM 1831 CG1 ILE A 114 4.826 -15.038 2.329 1.00 0.00 C ATOM 1832 CG2 ILE A 114 6.802 -14.693 0.863 1.00 0.00 C ATOM 1833 CD1 ILE A 114 5.155 -16.493 2.695 1.00 0.00 C ATOM 0 H ILE A 114 2.764 -14.360 0.179 1.00 0.00 H new ATOM 0 HA ILE A 114 5.176 -12.688 1.104 1.00 0.00 H new ATOM 0 HB ILE A 114 4.935 -15.498 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.316 -14.361 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.753 -14.868 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.193 -15.653 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.141 -14.500 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.163 -13.903 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.824 -16.696 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.644 -17.166 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.231 -16.651 2.625 1.00 0.00 H new ATOM 1845 N LEU A 115 5.451 -11.972 -1.489 1.00 0.00 N ATOM 1846 CA LEU A 115 5.403 -11.653 -2.983 1.00 0.00 C ATOM 1847 C LEU A 115 6.598 -12.027 -3.844 1.00 0.00 C ATOM 1848 O LEU A 115 7.653 -12.478 -3.397 1.00 0.00 O ATOM 1849 CB LEU A 115 5.324 -10.126 -3.081 1.00 0.00 C ATOM 1850 CG LEU A 115 4.194 -9.526 -2.162 1.00 0.00 C ATOM 1851 CD1 LEU A 115 3.417 -8.318 -1.565 1.00 0.00 C ATOM 1852 CD2 LEU A 115 4.878 -9.053 -3.456 1.00 0.00 C ATOM 0 H LEU A 115 5.991 -11.334 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 115 4.568 -12.243 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.285 -9.696 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.138 -9.840 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 115 3.686 -10.066 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.637 -8.682 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.105 -7.682 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.964 -7.742 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.457 -8.095 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.948 -8.940 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.715 -9.789 -4.244 1.00 0.00 H new ATOM 1864 N GLN A 116 6.449 -11.638 -5.057 1.00 0.00 N ATOM 1865 CA GLN A 116 7.498 -11.805 -6.045 1.00 0.00 C ATOM 1866 C GLN A 116 8.414 -10.645 -5.746 1.00 0.00 C ATOM 1867 O GLN A 116 7.878 -9.583 -5.699 1.00 0.00 O ATOM 1868 CB GLN A 116 6.894 -11.498 -7.415 1.00 0.00 C ATOM 1869 CG GLN A 116 6.158 -12.724 -7.967 1.00 0.00 C ATOM 1870 CD GLN A 116 5.864 -12.528 -9.457 1.00 0.00 C ATOM 1871 OE1 GLN A 116 5.307 -13.396 -10.096 1.00 0.00 O ATOM 1872 NE2 GLN A 116 6.211 -11.414 -10.037 1.00 0.00 N ATOM 0 H GLN A 116 5.603 -11.192 -5.412 1.00 0.00 H new ATOM 0 HA GLN A 116 7.962 -12.791 -6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.204 -10.658 -7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.681 -11.198 -8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.764 -13.619 -7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 116 5.227 -12.877 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.679 -10.684 -9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.014 -11.272 -11.028 1.00 0.00 H new ATOM 1881 N ALA A 117 9.702 -10.773 -5.559 1.00 0.00 N ATOM 1882 CA ALA A 117 10.528 -9.529 -5.325 1.00 0.00 C ATOM 1883 C ALA A 117 10.486 -8.591 -6.561 1.00 0.00 C ATOM 1884 O ALA A 117 10.496 -9.062 -7.682 1.00 0.00 O ATOM 1885 CB ALA A 117 11.987 -9.901 -5.062 1.00 0.00 C ATOM 0 H ALA A 117 10.215 -11.654 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 117 10.105 -9.016 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.569 -8.995 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 117 12.047 -10.538 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.387 -10.436 -5.923 1.00 0.00 H new ATOM 1891 N ASN A 118 10.407 -7.285 -6.383 1.00 0.00 N ATOM 1892 CA ASN A 118 10.332 -6.359 -7.551 1.00 0.00 C ATOM 1893 C ASN A 118 11.530 -6.609 -8.459 1.00 0.00 C ATOM 1894 O ASN A 118 12.595 -6.999 -8.023 1.00 0.00 O ATOM 1895 CB ASN A 118 10.377 -4.885 -7.100 1.00 0.00 C ATOM 1896 CG ASN A 118 9.023 -4.405 -6.564 1.00 0.00 C ATOM 1897 OD1 ASN A 118 8.176 -3.969 -7.317 1.00 0.00 O ATOM 1898 ND2 ASN A 118 8.782 -4.467 -5.272 1.00 0.00 N ATOM 0 H ASN A 118 10.392 -6.827 -5.472 1.00 0.00 H new ATOM 0 HA ASN A 118 9.392 -6.545 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 118 11.136 -4.766 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 118 10.677 -4.258 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 118 7.885 -4.149 -4.905 1.00 0.00 H new ATOM 0 HD22 ASN A 118 9.492 -4.833 -4.638 1.00 0.00 H new ATOM 1905 N GLU A 119 11.356 -6.399 -9.720 1.00 0.00 N ATOM 1906 CA GLU A 119 12.463 -6.643 -10.677 1.00 0.00 C ATOM 1907 C GLU A 119 13.675 -5.729 -10.400 1.00 0.00 C ATOM 1908 O GLU A 119 14.793 -6.203 -10.368 1.00 0.00 O ATOM 1909 CB GLU A 119 11.946 -6.416 -12.097 1.00 0.00 C ATOM 1910 CG GLU A 119 11.323 -5.014 -12.223 1.00 0.00 C ATOM 1911 CD GLU A 119 10.691 -4.845 -13.611 1.00 0.00 C ATOM 1912 OE1 GLU A 119 10.028 -5.765 -14.055 1.00 0.00 O ATOM 1913 OE2 GLU A 119 10.887 -3.795 -14.203 1.00 0.00 O ATOM 0 H GLU A 119 10.488 -6.065 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 119 12.803 -7.672 -10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.763 -6.523 -12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.204 -7.175 -12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.568 -4.872 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.087 -4.252 -12.066 1.00 0.00 H new ATOM 1920 N GLU A 120 13.504 -4.434 -10.230 1.00 0.00 N ATOM 1921 CA GLU A 120 14.729 -3.586 -9.999 1.00 0.00 C ATOM 1922 C GLU A 120 15.013 -3.521 -8.502 1.00 0.00 C ATOM 1923 O GLU A 120 14.539 -2.638 -7.820 1.00 0.00 O ATOM 1924 CB GLU A 120 14.525 -2.136 -10.550 1.00 0.00 C ATOM 1925 CG GLU A 120 14.483 -2.074 -12.117 1.00 0.00 C ATOM 1926 CD GLU A 120 14.206 -0.666 -12.576 1.00 0.00 C ATOM 1927 OE1 GLU A 120 14.104 0.169 -11.719 1.00 0.00 O ATOM 1928 OE2 GLU A 120 14.094 -0.448 -13.771 1.00 0.00 O ATOM 0 H GLU A 120 12.611 -3.942 -10.240 1.00 0.00 H new ATOM 0 HA GLU A 120 15.569 -4.038 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.596 -1.729 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.333 -1.499 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.433 -2.418 -12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.711 -2.745 -12.494 1.00 0.00 H new ATOM 1935 N LEU A 121 15.791 -4.432 -7.971 1.00 0.00 N ATOM 1936 CA LEU A 121 16.061 -4.366 -6.481 1.00 0.00 C ATOM 1937 C LEU A 121 17.345 -3.580 -6.156 1.00 0.00 C ATOM 1938 O LEU A 121 17.464 -3.000 -5.095 1.00 0.00 O ATOM 1939 CB LEU A 121 16.124 -5.808 -5.914 1.00 0.00 C ATOM 1940 CG LEU A 121 14.864 -6.612 -6.306 1.00 0.00 C ATOM 1941 CD1 LEU A 121 14.889 -7.983 -5.632 1.00 0.00 C ATOM 1942 CD2 LEU A 121 13.614 -5.850 -5.854 1.00 0.00 C ATOM 0 H LEU A 121 16.241 -5.197 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 121 15.245 -3.823 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 121 17.014 -6.312 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.214 -5.772 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 121 14.847 -6.744 -7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 121 13.997 -8.543 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.777 -8.529 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 121 14.911 -7.856 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.724 -6.415 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.640 -5.718 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.588 -4.874 -6.338 1.00 0.00 H new