USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 796 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 102 MET CE :methyl -130:sc= -3.88 (180deg=-10.7!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -1.29! C(o=-2.8!,f=-8.9!) USER MOD Set 2.2: A 73 TYR OH : rot 115:sc= 0.686 USER MOD Set 2.3: A 90 MET CE :methyl 169:sc= -2.18 (180deg=-2.18) USER MOD Set 3.1: A 31 THR OG1 : rot -74:sc= 0.252 USER MOD Set 3.2: A 32 ASN : amide:sc= -7.46! C(o=-7.2!,f=-7.4!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0411 F(o=-1.6!,f=-0.041) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 18 CYS SG : rot 149:sc= -1.71! USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.0214 (180deg=-0.215) USER MOD Single : A 22 THR OG1 : rot -65:sc= -0.0829 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -50:sc= 0.671 USER MOD Single : A 39 ASN : amide:sc= -2.92! C(o=-2.9!,f=-11!) USER MOD Single : A 42 SER OG : rot 113:sc= 1.06 USER MOD Single : A 44 CYS SG : rot 51:sc= -0.45 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -2.22 F(o=-3.6!,f=-2.2) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.725 F(o=-1.4,f=-0.73) USER MOD Single : A 57 TYR OH : rot 150:sc= -0.807 USER MOD Single : A 58 LYS NZ :NH3+ -143:sc= -0.185 (180deg=-1.67) USER MOD Single : A 59 SER OG : rot -55:sc= 0.00147 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.95! C(o=-3.5!,f=-3!) USER MOD Single : A 63 GLN : amide:sc= -9.7! C(o=-9.7!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= -0.0392 (180deg=-0.244) USER MOD Single : A 68 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.6) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.223 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 104 TYR OH : rot -133:sc= 0.222 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.905 1.235 -9.006 1.00 0.00 N ATOM 116 CA GLN A 12 10.888 0.651 -9.872 1.00 0.00 C ATOM 117 C GLN A 12 10.375 -0.666 -9.298 1.00 0.00 C ATOM 118 O GLN A 12 9.180 -0.954 -9.352 1.00 0.00 O ATOM 119 CB GLN A 12 11.453 0.423 -11.276 1.00 0.00 C ATOM 120 CG GLN A 12 10.471 -0.243 -12.226 1.00 0.00 C ATOM 121 CD GLN A 12 11.161 -1.072 -13.291 1.00 0.00 C ATOM 122 OE1 GLN A 12 10.614 -2.250 -13.571 1.00 0.00 O flip ATOM 123 NE2 GLN A 12 12.175 -0.660 -13.855 1.00 0.00 N flip ATOM 0 HA GLN A 12 10.054 1.350 -9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.759 1.381 -11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.349 -0.193 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.795 -0.880 -11.656 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.860 0.522 -12.705 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.561 0.251 -13.609 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.629 -1.230 -14.569 1.00 0.00 H new ATOM 132 N SER A 13 11.287 -1.462 -8.749 1.00 0.00 N ATOM 133 CA SER A 13 10.927 -2.750 -8.169 1.00 0.00 C ATOM 134 C SER A 13 9.639 -2.641 -7.359 1.00 0.00 C ATOM 135 O SER A 13 8.664 -3.345 -7.623 1.00 0.00 O ATOM 136 CB SER A 13 12.060 -3.267 -7.280 1.00 0.00 C ATOM 137 OG SER A 13 12.457 -2.286 -6.338 1.00 0.00 O ATOM 0 H SER A 13 12.280 -1.237 -8.694 1.00 0.00 H new ATOM 0 HA SER A 13 10.764 -3.455 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.735 -4.167 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.912 -3.548 -7.898 1.00 0.00 H new ATOM 0 HG SER A 13 13.181 -2.641 -5.781 1.00 0.00 H new ATOM 143 N LEU A 14 9.643 -1.752 -6.372 1.00 0.00 N ATOM 144 CA LEU A 14 8.475 -1.548 -5.521 1.00 0.00 C ATOM 145 C LEU A 14 7.256 -1.165 -6.353 1.00 0.00 C ATOM 146 O LEU A 14 6.268 -1.899 -6.401 1.00 0.00 O ATOM 147 CB LEU A 14 8.760 -0.462 -4.482 1.00 0.00 C ATOM 148 CG LEU A 14 7.595 -0.090 -3.564 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.287 -1.230 -2.605 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.908 1.186 -2.796 1.00 0.00 C ATOM 0 H LEU A 14 10.441 -1.161 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 14 8.261 -2.486 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.594 -0.790 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.086 0.437 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 14 6.714 0.088 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.455 -0.948 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.019 -2.121 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.165 -1.439 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.068 1.436 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.802 1.036 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.079 2.001 -3.499 1.00 0.00 H new ATOM 162 N LEU A 15 7.333 -0.012 -7.009 1.00 0.00 N ATOM 163 CA LEU A 15 6.236 0.469 -7.843 1.00 0.00 C ATOM 164 C LEU A 15 5.612 -0.676 -8.635 1.00 0.00 C ATOM 165 O LEU A 15 4.416 -0.664 -8.925 1.00 0.00 O ATOM 166 CB LEU A 15 6.733 1.554 -8.798 1.00 0.00 C ATOM 167 CG LEU A 15 5.653 2.341 -9.541 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.205 3.539 -8.719 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.161 2.788 -10.904 1.00 0.00 C ATOM 0 H LEU A 15 8.143 0.607 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 15 5.473 0.892 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.342 2.258 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.387 1.089 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 15 4.794 1.688 -9.692 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.436 4.087 -9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.800 3.196 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.057 4.194 -8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.379 3.347 -11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.037 3.424 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.432 1.914 -11.496 1.00 0.00 H new ATOM 181 N VAL A 16 6.431 -1.665 -8.981 1.00 0.00 N ATOM 182 CA VAL A 16 5.959 -2.819 -9.737 1.00 0.00 C ATOM 183 C VAL A 16 5.263 -3.825 -8.827 1.00 0.00 C ATOM 184 O VAL A 16 4.146 -4.261 -9.106 1.00 0.00 O ATOM 185 CB VAL A 16 7.117 -3.521 -10.469 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.601 -4.707 -11.271 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.853 -2.539 -11.368 1.00 0.00 C ATOM 0 H VAL A 16 7.424 -1.690 -8.750 1.00 0.00 H new ATOM 0 HA VAL A 16 5.247 -2.446 -10.473 1.00 0.00 H new ATOM 0 HB VAL A 16 7.821 -3.894 -9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.434 -5.191 -11.782 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.123 -5.420 -10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.876 -4.360 -12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.668 -3.053 -11.877 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.162 -2.134 -12.107 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.257 -1.726 -10.765 1.00 0.00 H new ATOM 197 N TRP A 17 5.930 -4.188 -7.737 1.00 0.00 N ATOM 198 CA TRP A 17 5.375 -5.143 -6.785 1.00 0.00 C ATOM 199 C TRP A 17 3.865 -4.972 -6.660 1.00 0.00 C ATOM 200 O TRP A 17 3.111 -5.940 -6.769 1.00 0.00 O ATOM 201 CB TRP A 17 6.035 -4.972 -5.416 1.00 0.00 C ATOM 202 CG TRP A 17 5.636 -6.026 -4.428 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.148 -7.288 -4.324 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.641 -5.909 -3.406 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.531 -7.963 -3.299 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.602 -7.139 -2.719 1.00 0.00 C ATOM 207 CE3 TRP A 17 3.779 -4.886 -3.002 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.736 -7.370 -1.654 1.00 0.00 C ATOM 209 CZ3 TRP A 17 2.919 -5.117 -1.945 1.00 0.00 C ATOM 210 CH2 TRP A 17 2.903 -6.350 -1.281 1.00 0.00 C ATOM 0 H TRP A 17 6.855 -3.836 -7.491 1.00 0.00 H new ATOM 0 HA TRP A 17 5.579 -6.148 -7.156 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.118 -4.990 -5.538 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.776 -3.992 -5.016 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.924 -7.695 -4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.732 -8.922 -3.015 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.785 -3.931 -3.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.722 -8.320 -1.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.248 -4.333 -1.626 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.220 -6.499 -0.458 1.00 0.00 H new ATOM 221 N CYS A 18 3.431 -3.738 -6.430 1.00 0.00 N ATOM 222 CA CYS A 18 2.010 -3.442 -6.289 1.00 0.00 C ATOM 223 C CYS A 18 1.277 -3.653 -7.610 1.00 0.00 C ATOM 224 O CYS A 18 0.455 -4.560 -7.738 1.00 0.00 O ATOM 225 CB CYS A 18 1.813 -2.004 -5.807 1.00 0.00 C ATOM 226 SG CYS A 18 0.111 -1.607 -5.344 1.00 0.00 S ATOM 0 H CYS A 18 4.042 -2.927 -6.337 1.00 0.00 H new ATOM 0 HA CYS A 18 1.593 -4.126 -5.550 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.462 -1.828 -4.949 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.133 -1.321 -6.594 1.00 0.00 H new ATOM 0 HG CYS A 18 0.115 -0.717 -4.396 1.00 0.00 H new ATOM 232 N LYS A 19 1.579 -2.808 -8.590 1.00 0.00 N ATOM 233 CA LYS A 19 0.950 -2.900 -9.902 1.00 0.00 C ATOM 234 C LYS A 19 0.844 -4.354 -10.353 1.00 0.00 C ATOM 235 O LYS A 19 -0.051 -4.711 -11.118 1.00 0.00 O ATOM 236 CB LYS A 19 1.745 -2.093 -10.930 1.00 0.00 C ATOM 237 CG LYS A 19 1.773 -0.602 -10.642 1.00 0.00 C ATOM 238 CD LYS A 19 2.913 0.086 -11.375 1.00 0.00 C ATOM 239 CE LYS A 19 2.584 0.298 -12.845 1.00 0.00 C ATOM 240 NZ LYS A 19 1.529 1.331 -13.034 1.00 0.00 N ATOM 0 H LYS A 19 2.256 -2.051 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.056 -2.487 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.768 -2.468 -10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.315 -2.256 -11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.825 -0.155 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.878 -0.440 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.121 1.047 -10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.818 -0.514 -11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.486 0.598 -13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.253 -0.644 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.533 1.654 -14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.600 0.924 -12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.716 2.138 -12.405 1.00 0.00 H new ATOM 254 N GLU A 20 1.762 -5.186 -9.873 1.00 0.00 N ATOM 255 CA GLU A 20 1.770 -6.601 -10.227 1.00 0.00 C ATOM 256 C GLU A 20 0.630 -7.342 -9.534 1.00 0.00 C ATOM 257 O GLU A 20 -0.198 -7.979 -10.186 1.00 0.00 O ATOM 258 CB GLU A 20 3.109 -7.237 -9.850 1.00 0.00 C ATOM 259 CG GLU A 20 3.422 -8.504 -10.628 1.00 0.00 C ATOM 260 CD GLU A 20 4.910 -8.717 -10.823 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.668 -8.540 -9.846 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.318 -9.059 -11.952 1.00 0.00 O ATOM 0 H GLU A 20 2.510 -4.905 -9.238 1.00 0.00 H new ATOM 0 HA GLU A 20 1.630 -6.680 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.906 -6.512 -10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.105 -7.467 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.002 -9.362 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.935 -8.457 -11.602 1.00 0.00 H new ATOM 269 N VAL A 21 0.594 -7.253 -8.208 1.00 0.00 N ATOM 270 CA VAL A 21 -0.444 -7.914 -7.426 1.00 0.00 C ATOM 271 C VAL A 21 -1.811 -7.292 -7.690 1.00 0.00 C ATOM 272 O VAL A 21 -2.845 -7.881 -7.373 1.00 0.00 O ATOM 273 CB VAL A 21 -0.142 -7.841 -5.918 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.324 -8.149 -5.651 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.516 -6.474 -5.365 1.00 0.00 C ATOM 0 H VAL A 21 1.271 -6.730 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.457 -8.959 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.746 -8.592 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.518 -8.093 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.556 -9.152 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.949 -7.424 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.296 -6.440 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.059 -5.704 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.580 -6.297 -5.522 1.00 0.00 H new ATOM 285 N THR A 22 -1.809 -6.098 -8.273 1.00 0.00 N ATOM 286 CA THR A 22 -3.048 -5.395 -8.580 1.00 0.00 C ATOM 287 C THR A 22 -3.331 -5.406 -10.078 1.00 0.00 C ATOM 288 O THR A 22 -4.021 -4.529 -10.597 1.00 0.00 O ATOM 289 CB THR A 22 -3.003 -3.936 -8.088 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.909 -3.246 -8.703 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.860 -3.878 -6.575 1.00 0.00 C ATOM 0 H THR A 22 -0.962 -5.597 -8.542 1.00 0.00 H new ATOM 0 HA THR A 22 -3.847 -5.922 -8.059 1.00 0.00 H new ATOM 0 HB THR A 22 -3.940 -3.453 -8.366 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.063 -3.637 -8.400 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.831 -2.837 -6.252 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.709 -4.378 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.938 -4.377 -6.277 1.00 0.00 H new ATOM 387 N VAL A 28 -7.269 0.451 -10.050 1.00 0.00 N ATOM 388 CA VAL A 28 -6.005 0.421 -9.325 1.00 0.00 C ATOM 389 C VAL A 28 -4.848 0.855 -10.218 1.00 0.00 C ATOM 390 O VAL A 28 -4.427 0.118 -11.110 1.00 0.00 O ATOM 391 CB VAL A 28 -5.710 -0.985 -8.769 1.00 0.00 C ATOM 392 CG1 VAL A 28 -4.549 -0.939 -7.787 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.952 -1.568 -8.111 1.00 0.00 C ATOM 0 HA VAL A 28 -6.101 1.120 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.427 -1.633 -9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.356 -1.941 -7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.659 -0.566 -8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.800 -0.277 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.726 -2.561 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.267 -0.922 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.754 -1.639 -8.846 1.00 0.00 H new ATOM 403 N LYS A 29 -4.338 2.057 -9.973 1.00 0.00 N ATOM 404 CA LYS A 29 -3.227 2.590 -10.753 1.00 0.00 C ATOM 405 C LYS A 29 -2.177 3.221 -9.844 1.00 0.00 C ATOM 406 O LYS A 29 -2.495 4.068 -9.008 1.00 0.00 O ATOM 407 CB LYS A 29 -3.735 3.626 -11.759 1.00 0.00 C ATOM 408 CG LYS A 29 -4.582 4.719 -11.131 1.00 0.00 C ATOM 409 CD LYS A 29 -3.744 5.933 -10.766 1.00 0.00 C ATOM 410 CE LYS A 29 -3.699 6.942 -11.903 1.00 0.00 C ATOM 411 NZ LYS A 29 -3.549 8.336 -11.403 1.00 0.00 N ATOM 0 H LYS A 29 -4.676 2.681 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.765 1.764 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.881 4.082 -12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.321 3.119 -12.525 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.369 5.014 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.073 4.332 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.156 6.406 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.731 5.616 -10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.868 6.703 -12.567 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.612 6.864 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.522 8.993 -12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.354 8.573 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.665 8.417 -10.861 1.00 0.00 H new ATOM 425 N ILE A 30 -0.927 2.806 -10.014 1.00 0.00 N ATOM 426 CA ILE A 30 0.169 3.332 -9.211 1.00 0.00 C ATOM 427 C ILE A 30 1.134 4.148 -10.065 1.00 0.00 C ATOM 428 O ILE A 30 2.133 3.627 -10.563 1.00 0.00 O ATOM 429 CB ILE A 30 0.948 2.203 -8.512 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.017 1.396 -7.606 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.109 2.776 -7.712 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.626 0.214 -8.298 1.00 0.00 C ATOM 0 H ILE A 30 -0.648 2.106 -10.702 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.277 3.977 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 30 1.352 1.535 -9.273 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.581 1.039 -6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.765 2.053 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.650 1.965 -7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.783 3.311 -8.381 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.727 3.463 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.273 -0.312 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.218 0.565 -9.143 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.149 -0.464 -8.655 1.00 0.00 H new ATOM 444 N THR A 31 0.830 5.432 -10.229 1.00 0.00 N ATOM 445 CA THR A 31 1.671 6.320 -11.022 1.00 0.00 C ATOM 446 C THR A 31 2.678 7.053 -10.144 1.00 0.00 C ATOM 447 O THR A 31 3.779 7.379 -10.585 1.00 0.00 O ATOM 448 CB THR A 31 0.826 7.355 -11.789 1.00 0.00 C ATOM 449 OG1 THR A 31 1.672 8.155 -12.624 1.00 0.00 O ATOM 450 CG2 THR A 31 0.063 8.252 -10.826 1.00 0.00 C ATOM 0 H THR A 31 0.008 5.880 -9.823 1.00 0.00 H new ATOM 0 HA THR A 31 2.205 5.695 -11.738 1.00 0.00 H new ATOM 0 HB THR A 31 0.107 6.818 -12.407 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.169 8.793 -12.071 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.526 8.974 -11.391 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.601 7.644 -10.211 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.768 8.781 -10.185 1.00 0.00 H new ATOM 458 N ASN A 32 2.293 7.310 -8.897 1.00 0.00 N ATOM 459 CA ASN A 32 3.164 8.005 -7.956 1.00 0.00 C ATOM 460 C ASN A 32 2.907 7.534 -6.528 1.00 0.00 C ATOM 461 O ASN A 32 1.776 7.214 -6.162 1.00 0.00 O ATOM 462 CB ASN A 32 2.950 9.517 -8.053 1.00 0.00 C ATOM 463 CG ASN A 32 2.498 9.950 -9.434 1.00 0.00 C ATOM 464 OD1 ASN A 32 3.169 9.682 -10.432 1.00 0.00 O ATOM 465 ND2 ASN A 32 1.355 10.622 -9.499 1.00 0.00 N ATOM 0 H ASN A 32 1.384 7.047 -8.516 1.00 0.00 H new ATOM 0 HA ASN A 32 4.197 7.774 -8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.206 9.824 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.878 10.029 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.000 10.938 -10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.832 10.822 -8.647 1.00 0.00 H new ATOM 472 N PHE A 33 3.965 7.496 -5.724 1.00 0.00 N ATOM 473 CA PHE A 33 3.855 7.064 -4.336 1.00 0.00 C ATOM 474 C PHE A 33 3.329 8.194 -3.455 1.00 0.00 C ATOM 475 O PHE A 33 3.786 8.383 -2.328 1.00 0.00 O ATOM 476 CB PHE A 33 5.214 6.589 -3.818 1.00 0.00 C ATOM 477 CG PHE A 33 5.574 5.201 -4.265 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.855 4.106 -3.813 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.630 4.992 -5.136 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.185 2.828 -4.222 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.965 3.716 -5.549 1.00 0.00 C ATOM 482 CZ PHE A 33 6.240 2.632 -5.092 1.00 0.00 C ATOM 0 H PHE A 33 4.908 7.759 -6.010 1.00 0.00 H new ATOM 0 HA PHE A 33 3.148 6.235 -4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.985 7.282 -4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.210 6.622 -2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.028 4.253 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.199 5.836 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.618 1.982 -3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.792 3.567 -6.228 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.498 1.634 -5.414 1.00 0.00 H new ATOM 492 N THR A 34 2.364 8.944 -3.979 1.00 0.00 N ATOM 493 CA THR A 34 1.776 10.056 -3.243 1.00 0.00 C ATOM 494 C THR A 34 0.254 9.964 -3.231 1.00 0.00 C ATOM 495 O THR A 34 -0.356 9.722 -2.189 1.00 0.00 O ATOM 496 CB THR A 34 2.192 11.411 -3.845 1.00 0.00 C ATOM 497 OG1 THR A 34 1.935 11.421 -5.253 1.00 0.00 O ATOM 498 CG2 THR A 34 3.667 11.685 -3.591 1.00 0.00 C ATOM 0 H THR A 34 1.973 8.801 -4.910 1.00 0.00 H new ATOM 0 HA THR A 34 2.149 9.991 -2.221 1.00 0.00 H new ATOM 0 HB THR A 34 1.605 12.193 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.201 12.287 -5.628 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.938 12.647 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.854 11.706 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.267 10.898 -4.048 1.00 0.00 H new ATOM 506 N THR A 35 -0.355 10.159 -4.396 1.00 0.00 N ATOM 507 CA THR A 35 -1.806 10.099 -4.520 1.00 0.00 C ATOM 508 C THR A 35 -2.278 8.670 -4.761 1.00 0.00 C ATOM 509 O THR A 35 -3.313 8.252 -4.243 1.00 0.00 O ATOM 510 CB THR A 35 -2.310 10.995 -5.667 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.761 10.551 -6.913 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.927 12.447 -5.427 1.00 0.00 C ATOM 0 H THR A 35 0.135 10.360 -5.268 1.00 0.00 H new ATOM 0 HA THR A 35 -2.219 10.461 -3.579 1.00 0.00 H new ATOM 0 HB THR A 35 -3.397 10.924 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.088 11.125 -7.637 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.293 13.061 -6.250 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.371 12.791 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.842 12.532 -5.366 1.00 0.00 H new ATOM 520 N SER A 36 -1.513 7.924 -5.552 1.00 0.00 N ATOM 521 CA SER A 36 -1.855 6.541 -5.864 1.00 0.00 C ATOM 522 C SER A 36 -2.252 5.781 -4.603 1.00 0.00 C ATOM 523 O SER A 36 -3.034 4.832 -4.657 1.00 0.00 O ATOM 524 CB SER A 36 -0.676 5.843 -6.544 1.00 0.00 C ATOM 525 OG SER A 36 -0.297 6.520 -7.730 1.00 0.00 O ATOM 0 H SER A 36 -0.652 8.254 -5.988 1.00 0.00 H new ATOM 0 HA SER A 36 -2.706 6.548 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.171 5.802 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.946 4.813 -6.780 1.00 0.00 H new ATOM 0 HG SER A 36 -1.089 6.676 -8.285 1.00 0.00 H new ATOM 531 N TRP A 37 -1.708 6.206 -3.468 1.00 0.00 N ATOM 532 CA TRP A 37 -2.005 5.566 -2.192 1.00 0.00 C ATOM 533 C TRP A 37 -2.827 6.489 -1.298 1.00 0.00 C ATOM 534 O TRP A 37 -3.514 6.033 -0.385 1.00 0.00 O ATOM 535 CB TRP A 37 -0.709 5.170 -1.483 1.00 0.00 C ATOM 536 CG TRP A 37 0.275 4.486 -2.382 1.00 0.00 C ATOM 537 CD1 TRP A 37 1.097 5.078 -3.298 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.538 3.080 -2.453 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.856 4.124 -3.934 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.532 2.891 -3.433 1.00 0.00 C ATOM 541 CE3 TRP A 37 0.032 1.963 -1.783 1.00 0.00 C ATOM 542 CZ2 TRP A 37 2.027 1.631 -3.757 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.524 0.713 -2.106 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.514 0.555 -3.085 1.00 0.00 C ATOM 0 H TRP A 37 -1.059 6.991 -3.406 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.591 4.669 -2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.246 6.063 -1.062 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.947 4.511 -0.648 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.144 6.139 -3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.548 4.305 -4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.730 2.075 -1.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.789 1.507 -4.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.139 -0.157 -1.595 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.879 -0.435 -3.314 1.00 0.00 H new ATOM 555 N ARG A 38 -2.751 7.788 -1.567 1.00 0.00 N ATOM 556 CA ARG A 38 -3.487 8.775 -0.786 1.00 0.00 C ATOM 557 C ARG A 38 -4.841 8.222 -0.350 1.00 0.00 C ATOM 558 O ARG A 38 -5.148 8.173 0.840 1.00 0.00 O ATOM 559 CB ARG A 38 -3.685 10.056 -1.599 1.00 0.00 C ATOM 560 CG ARG A 38 -4.858 10.900 -1.129 1.00 0.00 C ATOM 561 CD ARG A 38 -4.650 12.371 -1.452 1.00 0.00 C ATOM 562 NE ARG A 38 -5.067 12.698 -2.813 1.00 0.00 N ATOM 563 CZ ARG A 38 -5.399 13.922 -3.206 1.00 0.00 C ATOM 564 NH1 ARG A 38 -5.363 14.931 -2.346 1.00 0.00 N ATOM 565 NH2 ARG A 38 -5.768 14.139 -4.462 1.00 0.00 N ATOM 0 H ARG A 38 -2.187 8.182 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.903 9.005 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.775 10.653 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.834 9.792 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.774 10.548 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.988 10.777 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.212 12.980 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.598 12.625 -1.325 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.105 11.945 -3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.080 14.768 -1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.619 15.870 -2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.797 13.365 -5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.023 15.080 -4.763 1.00 0.00 H new ATOM 579 N ASN A 39 -5.646 7.808 -1.323 1.00 0.00 N ATOM 580 CA ASN A 39 -6.968 7.260 -1.040 1.00 0.00 C ATOM 581 C ASN A 39 -6.865 6.020 -0.156 1.00 0.00 C ATOM 582 O ASN A 39 -7.472 5.954 0.912 1.00 0.00 O ATOM 583 CB ASN A 39 -7.689 6.912 -2.344 1.00 0.00 C ATOM 584 CG ASN A 39 -6.821 6.098 -3.285 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.594 6.114 -3.185 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.457 5.382 -4.204 1.00 0.00 N ATOM 0 H ASN A 39 -5.406 7.841 -2.314 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.542 8.018 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.597 6.353 -2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.997 7.831 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.927 4.814 -4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.476 5.400 -4.249 1.00 0.00 H new ATOM 593 N GLY A 40 -6.090 5.039 -0.610 1.00 0.00 N ATOM 594 CA GLY A 40 -5.921 3.815 0.151 1.00 0.00 C ATOM 595 C GLY A 40 -6.324 2.584 -0.634 1.00 0.00 C ATOM 596 O GLY A 40 -6.113 1.456 -0.186 1.00 0.00 O ATOM 0 H GLY A 40 -5.577 5.070 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.879 3.722 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.517 3.872 1.062 1.00 0.00 H new ATOM 600 N LEU A 41 -6.906 2.797 -1.809 1.00 0.00 N ATOM 601 CA LEU A 41 -7.342 1.695 -2.659 1.00 0.00 C ATOM 602 C LEU A 41 -6.216 0.686 -2.862 1.00 0.00 C ATOM 603 O LEU A 41 -6.378 -0.504 -2.590 1.00 0.00 O ATOM 604 CB LEU A 41 -7.816 2.226 -4.013 1.00 0.00 C ATOM 605 CG LEU A 41 -9.219 2.833 -4.042 1.00 0.00 C ATOM 606 CD1 LEU A 41 -9.649 3.117 -5.473 1.00 0.00 C ATOM 607 CD2 LEU A 41 -10.215 1.907 -3.358 1.00 0.00 C ATOM 0 H LEU A 41 -7.087 3.724 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.171 1.192 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.108 2.982 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.780 1.409 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.197 3.777 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.650 3.549 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.951 3.819 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.655 2.188 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.208 2.355 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.234 0.947 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.917 1.755 -2.321 1.00 0.00 H new ATOM 619 N SER A 42 -5.073 1.170 -3.339 1.00 0.00 N ATOM 620 CA SER A 42 -3.920 0.310 -3.579 1.00 0.00 C ATOM 621 C SER A 42 -3.552 -0.469 -2.320 1.00 0.00 C ATOM 622 O SER A 42 -3.320 -1.677 -2.369 1.00 0.00 O ATOM 623 CB SER A 42 -2.725 1.143 -4.045 1.00 0.00 C ATOM 624 OG SER A 42 -3.115 2.093 -5.022 1.00 0.00 O ATOM 0 H SER A 42 -4.921 2.153 -3.567 1.00 0.00 H new ATOM 0 HA SER A 42 -4.185 -0.402 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.280 1.656 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.959 0.486 -4.457 1.00 0.00 H new ATOM 0 HG SER A 42 -3.015 2.997 -4.657 1.00 0.00 H new ATOM 630 N PHE A 43 -3.499 0.232 -1.192 1.00 0.00 N ATOM 631 CA PHE A 43 -3.158 -0.392 0.081 1.00 0.00 C ATOM 632 C PHE A 43 -4.051 -1.599 0.351 1.00 0.00 C ATOM 633 O PHE A 43 -3.567 -2.680 0.689 1.00 0.00 O ATOM 634 CB PHE A 43 -3.290 0.620 1.221 1.00 0.00 C ATOM 635 CG PHE A 43 -2.054 1.446 1.435 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.825 0.839 1.637 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.121 2.830 1.434 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.314 1.597 1.836 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.985 3.593 1.631 1.00 0.00 C ATOM 640 CZ PHE A 43 0.234 2.975 1.831 1.00 0.00 C ATOM 0 H PHE A 43 -3.688 1.233 -1.134 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.124 -0.732 0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.129 1.284 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.526 0.088 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.756 -0.239 1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.072 3.318 1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.265 1.111 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.051 4.671 1.629 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.123 3.569 1.983 1.00 0.00 H new ATOM 650 N CYS A 44 -5.357 -1.407 0.201 1.00 0.00 N ATOM 651 CA CYS A 44 -6.319 -2.479 0.430 1.00 0.00 C ATOM 652 C CYS A 44 -6.177 -3.571 -0.624 1.00 0.00 C ATOM 653 O CYS A 44 -6.184 -4.760 -0.306 1.00 0.00 O ATOM 654 CB CYS A 44 -7.744 -1.924 0.419 1.00 0.00 C ATOM 655 SG CYS A 44 -8.158 -0.923 1.867 1.00 0.00 S ATOM 0 H CYS A 44 -5.774 -0.519 -0.078 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.114 -2.915 1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.880 -1.320 -0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.446 -2.755 0.353 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.243 -0.017 2.044 1.00 0.00 H new ATOM 661 N ALA A 45 -6.051 -3.160 -1.882 1.00 0.00 N ATOM 662 CA ALA A 45 -5.907 -4.103 -2.984 1.00 0.00 C ATOM 663 C ALA A 45 -4.833 -5.142 -2.680 1.00 0.00 C ATOM 664 O ALA A 45 -5.085 -6.346 -2.744 1.00 0.00 O ATOM 665 CB ALA A 45 -5.580 -3.364 -4.272 1.00 0.00 C ATOM 0 H ALA A 45 -6.046 -2.179 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.856 -4.625 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.475 -4.081 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.384 -2.665 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.646 -2.815 -4.150 1.00 0.00 H new ATOM 671 N ILE A 46 -3.635 -4.670 -2.352 1.00 0.00 N ATOM 672 CA ILE A 46 -2.523 -5.559 -2.039 1.00 0.00 C ATOM 673 C ILE A 46 -2.922 -6.588 -0.987 1.00 0.00 C ATOM 674 O ILE A 46 -2.882 -7.794 -1.236 1.00 0.00 O ATOM 675 CB ILE A 46 -1.299 -4.772 -1.533 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.611 -4.055 -2.696 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.326 -5.705 -0.828 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.289 -2.921 -2.259 1.00 0.00 C ATOM 0 H ILE A 46 -3.410 -3.677 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.258 -6.072 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.636 -4.022 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.023 -4.778 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.371 -3.665 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.534 -5.135 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.823 -6.175 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.009 -6.475 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.743 -2.459 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.298 -2.178 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.072 -3.308 -1.607 1.00 0.00 H new ATOM 690 N LEU A 47 -3.309 -6.105 0.189 1.00 0.00 N ATOM 691 CA LEU A 47 -3.717 -6.983 1.280 1.00 0.00 C ATOM 692 C LEU A 47 -4.881 -7.874 0.855 1.00 0.00 C ATOM 693 O LEU A 47 -5.086 -8.953 1.413 1.00 0.00 O ATOM 694 CB LEU A 47 -4.114 -6.157 2.505 1.00 0.00 C ATOM 695 CG LEU A 47 -4.379 -6.945 3.788 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.122 -7.676 4.235 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.879 -6.019 4.888 1.00 0.00 C ATOM 0 H LEU A 47 -3.349 -5.110 0.411 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.870 -7.619 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.322 -5.434 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.011 -5.588 2.260 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.152 -7.686 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.330 -8.231 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.806 -8.368 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.328 -6.953 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.063 -6.596 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.128 -5.255 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.805 -5.541 4.568 1.00 0.00 H new ATOM 709 N HIS A 48 -5.638 -7.417 -0.137 1.00 0.00 N ATOM 710 CA HIS A 48 -6.779 -8.174 -0.639 1.00 0.00 C ATOM 711 C HIS A 48 -6.319 -9.317 -1.538 1.00 0.00 C ATOM 712 O HIS A 48 -6.939 -10.381 -1.573 1.00 0.00 O ATOM 713 CB HIS A 48 -7.729 -7.255 -1.408 1.00 0.00 C ATOM 714 CG HIS A 48 -9.049 -7.888 -1.725 1.00 0.00 C ATOM 715 ND1 HIS A 48 -10.175 -8.006 -0.984 1.00 0.00 N flip ATOM 716 CD2 HIS A 48 -9.321 -8.497 -2.932 1.00 0.00 C flip ATOM 717 CE1 HIS A 48 -11.098 -8.676 -1.748 1.00 0.00 C flip ATOM 718 NE2 HIS A 48 -10.558 -8.961 -2.920 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.482 -6.526 -0.609 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.307 -8.597 0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.900 -6.351 -0.823 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.250 -6.947 -2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.631 -8.581 -3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.102 -8.929 -1.441 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.018 -9.455 -3.685 1.00 0.00 H new ATOM 727 N HIS A 49 -5.230 -9.091 -2.265 1.00 0.00 N ATOM 728 CA HIS A 49 -4.687 -10.103 -3.165 1.00 0.00 C ATOM 729 C HIS A 49 -4.316 -11.369 -2.399 1.00 0.00 C ATOM 730 O HIS A 49 -4.659 -12.478 -2.809 1.00 0.00 O ATOM 731 CB HIS A 49 -3.461 -9.559 -3.898 1.00 0.00 C ATOM 732 CG HIS A 49 -3.163 -10.275 -5.180 1.00 0.00 C ATOM 733 ND1 HIS A 49 -1.994 -10.729 -5.688 1.00 0.00 N flip ATOM 734 CD2 HIS A 49 -4.133 -10.597 -6.105 1.00 0.00 C flip ATOM 735 CE1 HIS A 49 -2.276 -11.313 -6.899 1.00 0.00 C flip ATOM 736 NE2 HIS A 49 -3.573 -11.221 -7.127 1.00 0.00 N flip ATOM 0 H HIS A 49 -4.706 -8.216 -2.249 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.456 -10.354 -3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.614 -8.501 -4.110 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.594 -9.630 -3.241 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.185 -10.374 -6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.554 -11.773 -7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.060 -11.572 -7.952 1.00 0.00 H new ATOM 745 N PHE A 50 -3.613 -11.195 -1.284 1.00 0.00 N ATOM 746 CA PHE A 50 -3.194 -12.324 -0.461 1.00 0.00 C ATOM 747 C PHE A 50 -4.387 -12.944 0.260 1.00 0.00 C ATOM 748 O PHE A 50 -4.478 -14.164 0.398 1.00 0.00 O ATOM 749 CB PHE A 50 -2.143 -11.877 0.557 1.00 0.00 C ATOM 750 CG PHE A 50 -1.168 -10.874 0.011 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.648 -11.018 -1.265 1.00 0.00 C ATOM 752 CD2 PHE A 50 -0.770 -9.788 0.775 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.250 -10.096 -1.770 1.00 0.00 C ATOM 754 CE2 PHE A 50 0.127 -8.864 0.274 1.00 0.00 C ATOM 755 CZ PHE A 50 0.639 -9.018 -0.999 1.00 0.00 C ATOM 0 H PHE A 50 -3.322 -10.284 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.757 -13.078 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.647 -11.448 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.594 -12.751 0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.947 -11.860 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.165 -9.663 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.647 -10.219 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.428 -8.021 0.878 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.342 -8.298 -1.391 1.00 0.00 H new ATOM 765 N ARG A 51 -5.300 -12.094 0.719 1.00 0.00 N ATOM 766 CA ARG A 51 -6.487 -12.557 1.429 1.00 0.00 C ATOM 767 C ARG A 51 -7.691 -11.676 1.107 1.00 0.00 C ATOM 768 O ARG A 51 -7.809 -10.547 1.583 1.00 0.00 O ATOM 769 CB ARG A 51 -6.235 -12.564 2.937 1.00 0.00 C ATOM 770 CG ARG A 51 -5.697 -13.887 3.459 1.00 0.00 C ATOM 771 CD ARG A 51 -6.530 -15.060 2.967 1.00 0.00 C ATOM 772 NE ARG A 51 -6.529 -16.169 3.917 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.162 -17.317 3.707 1.00 0.00 C ATOM 774 NH1 ARG A 51 -7.843 -17.507 2.585 1.00 0.00 N ATOM 775 NH2 ARG A 51 -7.114 -18.279 4.620 1.00 0.00 N ATOM 0 H ARG A 51 -5.241 -11.081 0.612 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.704 -13.573 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.528 -11.772 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.166 -12.331 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.663 -14.013 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.692 -13.874 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.555 -14.730 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.141 -15.404 2.008 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.014 -16.055 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.881 -16.770 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.328 -18.390 2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.591 -18.137 5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.601 -19.161 4.458 1.00 0.00 H new ATOM 789 N PRO A 52 -8.606 -12.202 0.280 1.00 0.00 N ATOM 790 CA PRO A 52 -9.816 -11.481 -0.124 1.00 0.00 C ATOM 791 C PRO A 52 -10.805 -11.320 1.026 1.00 0.00 C ATOM 792 O PRO A 52 -11.881 -10.746 0.856 1.00 0.00 O ATOM 793 CB PRO A 52 -10.410 -12.370 -1.219 1.00 0.00 C ATOM 794 CG PRO A 52 -9.897 -13.736 -0.919 1.00 0.00 C ATOM 795 CD PRO A 52 -8.529 -13.543 -0.325 1.00 0.00 C ATOM 0 HA PRO A 52 -9.595 -10.466 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.500 -12.344 -1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.099 -12.039 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.555 -14.256 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.848 -14.342 -1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.302 -14.307 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.750 -13.597 -1.085 1.00 0.00 H new ATOM 803 N ASP A 53 -10.434 -11.829 2.195 1.00 0.00 N ATOM 804 CA ASP A 53 -11.288 -11.740 3.374 1.00 0.00 C ATOM 805 C ASP A 53 -10.719 -10.749 4.384 1.00 0.00 C ATOM 806 O ASP A 53 -11.463 -10.097 5.117 1.00 0.00 O ATOM 807 CB ASP A 53 -11.444 -13.117 4.022 1.00 0.00 C ATOM 808 CG ASP A 53 -12.260 -14.069 3.171 1.00 0.00 C ATOM 809 OD1 ASP A 53 -13.420 -13.734 2.852 1.00 0.00 O ATOM 810 OD2 ASP A 53 -11.739 -15.149 2.823 1.00 0.00 O ATOM 0 H ASP A 53 -9.547 -12.308 2.352 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.268 -11.384 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.458 -13.546 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.921 -13.005 4.996 1.00 0.00 H new ATOM 815 N LEU A 54 -9.395 -10.642 4.418 1.00 0.00 N ATOM 816 CA LEU A 54 -8.725 -9.732 5.340 1.00 0.00 C ATOM 817 C LEU A 54 -9.369 -8.349 5.304 1.00 0.00 C ATOM 818 O LEU A 54 -9.546 -7.709 6.341 1.00 0.00 O ATOM 819 CB LEU A 54 -7.239 -9.624 4.991 1.00 0.00 C ATOM 820 CG LEU A 54 -6.315 -10.633 5.673 1.00 0.00 C ATOM 821 CD1 LEU A 54 -4.903 -10.522 5.120 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.317 -10.424 7.180 1.00 0.00 C ATOM 0 H LEU A 54 -8.765 -11.174 3.818 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.827 -10.134 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.131 -9.734 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.899 -8.620 5.245 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.687 -11.636 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.259 -11.248 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.915 -10.722 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.521 -9.517 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.654 -11.151 7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.970 -9.416 7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.329 -10.555 7.564 1.00 0.00 H new ATOM 834 N ILE A 55 -9.718 -7.896 4.105 1.00 0.00 N ATOM 835 CA ILE A 55 -10.346 -6.591 3.935 1.00 0.00 C ATOM 836 C ILE A 55 -11.663 -6.709 3.176 1.00 0.00 C ATOM 837 O ILE A 55 -12.046 -7.796 2.742 1.00 0.00 O ATOM 838 CB ILE A 55 -9.420 -5.615 3.185 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.955 -6.010 3.387 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.660 -4.189 3.659 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.452 -7.006 2.366 1.00 0.00 C ATOM 0 H ILE A 55 -9.577 -8.413 3.237 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.539 -6.201 4.934 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.647 -5.667 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.336 -5.114 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.835 -6.433 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.999 -3.510 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.697 -3.912 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.456 -4.122 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.407 -7.240 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.046 -7.918 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.539 -6.579 1.367 1.00 0.00 H new ATOM 853 N ASP A 56 -12.351 -5.584 3.017 1.00 0.00 N ATOM 854 CA ASP A 56 -13.624 -5.560 2.307 1.00 0.00 C ATOM 855 C ASP A 56 -13.478 -4.878 0.951 1.00 0.00 C ATOM 856 O ASP A 56 -14.420 -4.267 0.447 1.00 0.00 O ATOM 857 CB ASP A 56 -14.684 -4.840 3.142 1.00 0.00 C ATOM 858 CG ASP A 56 -16.090 -5.308 2.821 1.00 0.00 C ATOM 859 OD1 ASP A 56 -16.507 -6.352 3.364 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.774 -4.630 2.025 1.00 0.00 O ATOM 0 H ASP A 56 -12.048 -4.676 3.370 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.939 -6.590 2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.482 -5.005 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.613 -3.766 2.967 1.00 0.00 H new ATOM 865 N TYR A 57 -12.290 -4.985 0.366 1.00 0.00 N ATOM 866 CA TYR A 57 -12.019 -4.375 -0.930 1.00 0.00 C ATOM 867 C TYR A 57 -13.049 -4.816 -1.966 1.00 0.00 C ATOM 868 O TYR A 57 -13.257 -4.145 -2.977 1.00 0.00 O ATOM 869 CB TYR A 57 -10.612 -4.743 -1.406 1.00 0.00 C ATOM 870 CG TYR A 57 -10.163 -3.968 -2.625 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.539 -4.365 -3.902 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.364 -2.839 -2.498 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.131 -3.661 -5.018 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.952 -2.127 -3.609 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.337 -2.543 -4.866 1.00 0.00 C ATOM 876 OH TYR A 57 -8.930 -1.838 -5.975 1.00 0.00 O ATOM 0 H TYR A 57 -11.500 -5.488 0.769 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.086 -3.293 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.906 -4.568 -0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.581 -5.809 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.161 -5.239 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.059 -2.512 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.432 -3.984 -6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.332 -1.250 -3.493 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.817 -0.894 -5.739 1.00 0.00 H new ATOM 886 N LYS A 58 -13.692 -5.949 -1.706 1.00 0.00 N ATOM 887 CA LYS A 58 -14.702 -6.481 -2.613 1.00 0.00 C ATOM 888 C LYS A 58 -15.882 -5.522 -2.735 1.00 0.00 C ATOM 889 O LYS A 58 -16.604 -5.535 -3.732 1.00 0.00 O ATOM 890 CB LYS A 58 -15.190 -7.846 -2.121 1.00 0.00 C ATOM 891 CG LYS A 58 -15.942 -7.785 -0.803 1.00 0.00 C ATOM 892 CD LYS A 58 -16.733 -9.058 -0.553 1.00 0.00 C ATOM 893 CE LYS A 58 -18.041 -9.062 -1.330 1.00 0.00 C ATOM 894 NZ LYS A 58 -18.920 -7.923 -0.943 1.00 0.00 N ATOM 0 H LYS A 58 -13.532 -6.517 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.247 -6.597 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.838 -8.286 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.333 -8.510 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.236 -7.628 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.618 -6.930 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.135 -9.922 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.941 -9.155 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.829 -9.011 -2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.565 -10.001 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.913 -8.234 -0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.663 -7.595 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.799 -7.145 -1.622 1.00 0.00 H new ATOM 908 N SER A 59 -16.071 -4.691 -1.716 1.00 0.00 N ATOM 909 CA SER A 59 -17.165 -3.726 -1.709 1.00 0.00 C ATOM 910 C SER A 59 -16.660 -2.334 -1.342 1.00 0.00 C ATOM 911 O SER A 59 -17.395 -1.522 -0.780 1.00 0.00 O ATOM 912 CB SER A 59 -18.252 -4.163 -0.724 1.00 0.00 C ATOM 913 OG SER A 59 -19.514 -3.633 -1.089 1.00 0.00 O ATOM 0 H SER A 59 -15.481 -4.666 -0.884 1.00 0.00 H new ATOM 0 HA SER A 59 -17.588 -3.687 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.306 -5.251 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.991 -3.831 0.281 1.00 0.00 H new ATOM 0 HG SER A 59 -19.449 -2.659 -1.170 1.00 0.00 H new ATOM 919 N LEU A 60 -15.400 -2.066 -1.665 1.00 0.00 N ATOM 920 CA LEU A 60 -14.794 -0.772 -1.371 1.00 0.00 C ATOM 921 C LEU A 60 -14.933 0.177 -2.557 1.00 0.00 C ATOM 922 O LEU A 60 -15.576 -0.150 -3.554 1.00 0.00 O ATOM 923 CB LEU A 60 -13.317 -0.947 -1.014 1.00 0.00 C ATOM 924 CG LEU A 60 -13.019 -1.363 0.427 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.546 -1.160 0.747 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.891 -0.581 1.398 1.00 0.00 C ATOM 0 H LEU A 60 -14.778 -2.727 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.318 -0.339 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.888 -1.694 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.802 -0.007 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.250 -2.423 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.352 -1.461 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.940 -1.765 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.288 -0.108 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.666 -0.890 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.691 0.485 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.941 -0.777 1.183 1.00 0.00 H new ATOM 938 N ASN A 61 -14.323 1.353 -2.443 1.00 0.00 N ATOM 939 CA ASN A 61 -14.378 2.349 -3.507 1.00 0.00 C ATOM 940 C ASN A 61 -13.443 3.517 -3.207 1.00 0.00 C ATOM 941 O ASN A 61 -13.050 3.752 -2.064 1.00 0.00 O ATOM 942 CB ASN A 61 -15.809 2.859 -3.684 1.00 0.00 C ATOM 943 CG ASN A 61 -16.635 1.962 -4.586 1.00 0.00 C ATOM 944 OD1 ASN A 61 -16.083 1.619 -5.744 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.756 1.583 -4.245 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.785 1.639 -1.625 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.052 1.874 -4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.290 2.930 -2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.784 3.866 -4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.140 1.872 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.300 0.980 -4.862 1.00 0.00 H new ATOM 952 N PRO A 62 -13.079 4.268 -4.257 1.00 0.00 N ATOM 953 CA PRO A 62 -12.187 5.424 -4.131 1.00 0.00 C ATOM 954 C PRO A 62 -12.849 6.590 -3.403 1.00 0.00 C ATOM 955 O PRO A 62 -12.258 7.660 -3.262 1.00 0.00 O ATOM 956 CB PRO A 62 -11.889 5.802 -5.584 1.00 0.00 C ATOM 957 CG PRO A 62 -13.058 5.293 -6.355 1.00 0.00 C ATOM 958 CD PRO A 62 -13.509 4.045 -5.647 1.00 0.00 C ATOM 0 HA PRO A 62 -11.298 5.191 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.779 6.880 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.960 5.348 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.857 6.034 -6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.781 5.078 -7.387 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.588 3.911 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.049 3.153 -6.072 1.00 0.00 H new ATOM 966 N GLN A 63 -14.077 6.373 -2.943 1.00 0.00 N ATOM 967 CA GLN A 63 -14.817 7.407 -2.230 1.00 0.00 C ATOM 968 C GLN A 63 -14.366 7.495 -0.776 1.00 0.00 C ATOM 969 O GLN A 63 -14.727 8.428 -0.058 1.00 0.00 O ATOM 970 CB GLN A 63 -16.319 7.124 -2.293 1.00 0.00 C ATOM 971 CG GLN A 63 -16.691 5.713 -1.865 1.00 0.00 C ATOM 972 CD GLN A 63 -16.190 5.374 -0.475 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.323 6.168 0.456 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.611 4.188 -0.328 1.00 0.00 N ATOM 0 H GLN A 63 -14.580 5.492 -3.051 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.613 8.362 -2.713 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.842 7.838 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.669 7.290 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.775 5.603 -1.893 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.279 5.000 -2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.522 3.561 -1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.255 3.904 0.585 1.00 0.00 H new ATOM 983 N ASP A 64 -13.574 6.518 -0.347 1.00 0.00 N ATOM 984 CA ASP A 64 -13.072 6.486 1.022 1.00 0.00 C ATOM 985 C ASP A 64 -11.556 6.652 1.049 1.00 0.00 C ATOM 986 O ASP A 64 -10.819 5.787 0.575 1.00 0.00 O ATOM 987 CB ASP A 64 -13.466 5.173 1.701 1.00 0.00 C ATOM 988 CG ASP A 64 -14.837 5.242 2.344 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.236 6.345 2.773 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.511 4.194 2.418 1.00 0.00 O ATOM 0 H ASP A 64 -13.266 5.738 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.520 7.317 1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.453 4.369 0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.724 4.923 2.460 1.00 0.00 H new ATOM 995 N ILE A 65 -11.098 7.769 1.604 1.00 0.00 N ATOM 996 CA ILE A 65 -9.671 8.048 1.692 1.00 0.00 C ATOM 997 C ILE A 65 -9.109 7.622 3.045 1.00 0.00 C ATOM 998 O ILE A 65 -8.126 6.885 3.117 1.00 0.00 O ATOM 999 CB ILE A 65 -9.375 9.544 1.475 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.718 9.951 0.040 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.916 9.845 1.782 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.629 11.441 -0.203 1.00 0.00 C ATOM 0 H ILE A 65 -11.695 8.495 1.999 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.188 7.472 0.903 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.997 10.125 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.043 9.438 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.727 9.613 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.722 10.906 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.702 9.588 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.277 9.257 1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.885 11.656 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.324 11.960 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.614 11.783 -0.002 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.743 8.088 4.115 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.311 7.754 5.467 1.00 0.00 C ATOM 1016 C LYS A 66 -9.556 6.278 5.767 1.00 0.00 C ATOM 1017 O LYS A 66 -8.636 5.551 6.139 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.046 8.622 6.490 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.257 8.860 7.765 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.678 10.151 8.449 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.054 10.022 9.084 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.052 9.063 10.223 1.00 0.00 N ATOM 0 H LYS A 66 -10.559 8.699 4.072 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.241 7.949 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.283 9.584 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.994 8.147 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.403 8.022 8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.193 8.900 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.947 10.414 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.686 10.963 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.386 11.000 9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.771 9.692 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.903 9.210 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.046 8.089 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.205 9.219 10.806 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.801 5.844 5.601 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.165 4.455 5.855 1.00 0.00 C ATOM 1038 C GLU A 67 -10.245 3.504 5.094 1.00 0.00 C ATOM 1039 O GLU A 67 -9.460 2.772 5.693 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.620 4.205 5.453 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.136 2.835 5.860 1.00 0.00 C ATOM 1042 CD GLU A 67 -13.697 2.816 7.268 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -13.104 3.473 8.150 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -14.727 2.146 7.489 1.00 0.00 O ATOM 0 H GLU A 67 -11.574 6.433 5.292 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.053 4.265 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.250 4.971 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.713 4.313 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.910 2.520 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.326 2.109 5.786 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.351 3.522 3.769 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.530 2.661 2.925 1.00 0.00 C ATOM 1053 C ASN A 68 -8.136 2.487 3.519 1.00 0.00 C ATOM 1054 O ASN A 68 -7.571 1.395 3.491 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.427 3.244 1.514 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.678 2.998 0.693 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.649 2.420 1.181 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.659 3.436 -0.560 1.00 0.00 N ATOM 0 H ASN A 68 -10.997 4.123 3.257 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.008 1.683 2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.244 4.317 1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.569 2.805 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.472 3.298 -1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.832 3.910 -0.922 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.588 3.572 4.056 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.259 3.539 4.657 1.00 0.00 C ATOM 1067 C ASN A 69 -6.296 2.857 6.021 1.00 0.00 C ATOM 1068 O ASN A 69 -5.475 1.988 6.316 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.706 4.959 4.800 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.916 5.396 3.582 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.687 5.459 3.615 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.620 5.701 2.498 1.00 0.00 N ATOM 0 H ASN A 69 -8.043 4.484 4.087 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.605 2.965 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.531 5.653 4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.067 5.010 5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.143 6.002 1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.638 5.634 2.515 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.254 3.256 6.851 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.401 2.682 8.183 1.00 0.00 C ATOM 1081 C LYS A 70 -7.556 1.167 8.109 1.00 0.00 C ATOM 1082 O LYS A 70 -6.987 0.434 8.919 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.609 3.296 8.894 1.00 0.00 C ATOM 1084 CG LYS A 70 -9.002 2.564 10.166 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.795 3.460 11.103 1.00 0.00 C ATOM 1086 CE LYS A 70 -11.272 3.479 10.739 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.965 4.674 11.295 1.00 0.00 N ATOM 0 H LYS A 70 -7.941 3.975 6.624 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.499 2.909 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.388 4.335 9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.458 3.302 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.595 1.685 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.106 2.208 10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.676 3.111 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.396 4.474 11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.379 3.469 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.750 2.574 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.969 4.650 11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.885 4.670 12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.525 5.537 10.917 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.329 0.703 7.133 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.557 -0.726 6.951 1.00 0.00 C ATOM 1103 C LYS A 71 -7.235 -1.479 6.846 1.00 0.00 C ATOM 1104 O LYS A 71 -7.031 -2.490 7.516 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.399 -0.973 5.697 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.866 -0.620 5.870 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.730 -1.299 4.820 1.00 0.00 C ATOM 1108 CE LYS A 71 -13.127 -1.585 5.349 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.215 -2.927 5.989 1.00 0.00 N ATOM 0 H LYS A 71 -8.808 1.296 6.456 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.097 -1.097 7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.988 -0.389 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.317 -2.023 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.198 -0.918 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.992 0.461 5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.797 -0.664 3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.260 -2.232 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.405 -0.819 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.844 -1.525 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.183 -3.083 6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.975 -3.660 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.549 -2.976 6.786 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.340 -0.978 6.001 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.036 -1.602 5.810 1.00 0.00 C ATOM 1125 C ALA A 72 -4.221 -1.573 7.098 1.00 0.00 C ATOM 1126 O ALA A 72 -3.893 -2.618 7.662 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.279 -0.910 4.687 1.00 0.00 C ATOM 0 H ALA A 72 -6.494 -0.142 5.438 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.196 -2.645 5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.307 -1.386 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.850 -0.988 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.137 0.141 4.938 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.895 -0.370 7.559 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.114 -0.205 8.779 1.00 0.00 C ATOM 1135 C TYR A 73 -3.534 -1.222 9.837 1.00 0.00 C ATOM 1136 O TYR A 73 -2.705 -1.722 10.597 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.278 1.214 9.327 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.859 2.291 8.352 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.713 2.149 7.580 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.609 3.452 8.204 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.326 3.131 6.688 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.230 4.438 7.314 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.088 4.273 6.559 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.707 5.254 5.672 1.00 0.00 O ATOM 0 H TYR A 73 -4.160 0.505 7.106 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.065 -0.374 8.534 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.321 1.370 9.602 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.690 1.313 10.239 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.114 1.256 7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.503 3.585 8.795 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.432 3.005 6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.825 5.333 7.210 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.378 5.332 4.962 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.827 -1.523 9.878 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.359 -2.481 10.839 1.00 0.00 C ATOM 1156 C ASP A 74 -5.017 -3.910 10.429 1.00 0.00 C ATOM 1157 O ASP A 74 -4.703 -4.750 11.270 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.875 -2.322 10.965 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.443 -3.099 12.137 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.326 -4.342 12.137 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.004 -2.463 13.053 1.00 0.00 O ATOM 0 H ASP A 74 -5.526 -1.117 9.256 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.899 -2.280 11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.118 -1.266 11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.351 -2.660 10.044 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.082 -4.178 9.128 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.778 -5.506 8.628 1.00 0.00 C ATOM 1168 C GLY A 75 -3.296 -5.821 8.683 1.00 0.00 C ATOM 1169 O GLY A 75 -2.879 -6.766 9.353 1.00 0.00 O ATOM 0 H GLY A 75 -5.340 -3.499 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.325 -6.245 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.127 -5.592 7.599 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.498 -5.029 7.974 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.054 -5.230 7.942 1.00 0.00 C ATOM 1175 C PHE A 76 -0.489 -5.340 9.355 1.00 0.00 C ATOM 1176 O PHE A 76 0.260 -6.266 9.665 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.374 -4.080 7.197 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.714 -4.029 5.735 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.443 -5.108 4.909 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.303 -2.902 5.185 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.754 -5.065 3.563 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.617 -2.853 3.840 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.341 -3.936 3.028 1.00 0.00 C ATOM 0 H PHE A 76 -2.827 -4.242 7.414 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.854 -6.163 7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.661 -3.137 7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.706 -4.174 7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.017 -5.994 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.519 -2.052 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.538 -5.914 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.078 -1.969 3.424 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.584 -3.899 1.976 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.853 -4.388 10.208 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.385 -4.378 11.588 1.00 0.00 C ATOM 1195 C ALA A 77 -0.898 -5.594 12.351 1.00 0.00 C ATOM 1196 O ALA A 77 -0.272 -6.047 13.309 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.817 -3.095 12.283 1.00 0.00 C ATOM 0 H ALA A 77 -1.471 -3.613 9.967 1.00 0.00 H new ATOM 0 HA ALA A 77 0.704 -4.423 11.576 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.460 -3.101 13.313 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.396 -2.237 11.758 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.905 -3.026 12.276 1.00 0.00 H new ATOM 1203 N SER A 78 -2.042 -6.117 11.921 1.00 0.00 N ATOM 1204 CA SER A 78 -2.642 -7.278 12.567 1.00 0.00 C ATOM 1205 C SER A 78 -1.611 -8.385 12.761 1.00 0.00 C ATOM 1206 O SER A 78 -1.669 -9.139 13.733 1.00 0.00 O ATOM 1207 CB SER A 78 -3.817 -7.799 11.737 1.00 0.00 C ATOM 1208 OG SER A 78 -4.625 -8.682 12.496 1.00 0.00 O ATOM 0 H SER A 78 -2.572 -5.755 11.128 1.00 0.00 H new ATOM 0 HA SER A 78 -3.007 -6.970 13.547 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.419 -6.961 11.387 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.442 -8.314 10.853 1.00 0.00 H new ATOM 0 HG SER A 78 -5.370 -9.000 11.944 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.668 -8.477 11.829 1.00 0.00 N ATOM 1215 CA ILE A 79 0.377 -9.491 11.896 1.00 0.00 C ATOM 1216 C ILE A 79 1.626 -8.948 12.581 1.00 0.00 C ATOM 1217 O ILE A 79 2.359 -9.687 13.237 1.00 0.00 O ATOM 1218 CB ILE A 79 0.755 -10.004 10.494 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.880 -8.834 9.516 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.277 -11.007 10.001 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.500 -9.218 8.191 1.00 0.00 C ATOM 0 H ILE A 79 -0.606 -7.861 11.018 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.024 -10.319 12.480 1.00 0.00 H new ATOM 0 HB ILE A 79 1.720 -10.507 10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.110 -8.414 9.337 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.481 -8.049 9.976 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.004 -11.360 9.009 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.321 -11.852 10.688 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.255 -10.528 9.952 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.557 -8.340 7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.503 -9.611 8.359 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.887 -9.981 7.710 1.00 0.00 H new ATOM 1233 N GLY A 80 1.862 -7.648 12.426 1.00 0.00 N ATOM 1234 CA GLY A 80 3.023 -7.027 13.036 1.00 0.00 C ATOM 1235 C GLY A 80 3.460 -5.772 12.306 1.00 0.00 C ATOM 1236 O GLY A 80 4.112 -4.904 12.887 1.00 0.00 O ATOM 0 H GLY A 80 1.270 -7.015 11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.796 -6.780 14.073 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.847 -7.740 13.051 1.00 0.00 H new ATOM 1240 N ILE A 81 3.103 -5.677 11.030 1.00 0.00 N ATOM 1241 CA ILE A 81 3.463 -4.520 10.221 1.00 0.00 C ATOM 1242 C ILE A 81 2.941 -3.230 10.843 1.00 0.00 C ATOM 1243 O ILE A 81 1.820 -2.804 10.567 1.00 0.00 O ATOM 1244 CB ILE A 81 2.915 -4.643 8.787 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.616 -5.784 8.046 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.092 -3.331 8.038 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.954 -6.151 6.736 1.00 0.00 C ATOM 0 H ILE A 81 2.565 -6.388 10.534 1.00 0.00 H new ATOM 0 HA ILE A 81 4.552 -4.488 10.184 1.00 0.00 H new ATOM 0 HB ILE A 81 1.850 -4.868 8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.651 -5.500 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.641 -6.663 8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.700 -3.434 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.552 -2.540 8.558 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.151 -3.078 7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.504 -6.966 6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.927 -6.466 6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.953 -5.285 6.074 1.00 0.00 H new ATOM 1259 N SER A 82 3.763 -2.610 11.684 1.00 0.00 N ATOM 1260 CA SER A 82 3.384 -1.368 12.348 1.00 0.00 C ATOM 1261 C SER A 82 2.782 -0.382 11.352 1.00 0.00 C ATOM 1262 O SER A 82 2.814 -0.607 10.142 1.00 0.00 O ATOM 1263 CB SER A 82 4.599 -0.741 13.034 1.00 0.00 C ATOM 1264 OG SER A 82 4.902 -1.409 14.247 1.00 0.00 O ATOM 0 H SER A 82 4.696 -2.948 11.922 1.00 0.00 H new ATOM 0 HA SER A 82 2.631 -1.602 13.101 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.460 -0.784 12.367 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.404 0.312 13.234 1.00 0.00 H new ATOM 0 HG SER A 82 5.683 -0.990 14.665 1.00 0.00 H new ATOM 1270 N ARG A 83 2.233 0.712 11.871 1.00 0.00 N ATOM 1271 CA ARG A 83 1.622 1.733 11.029 1.00 0.00 C ATOM 1272 C ARG A 83 2.468 3.003 11.013 1.00 0.00 C ATOM 1273 O ARG A 83 2.499 3.753 11.989 1.00 0.00 O ATOM 1274 CB ARG A 83 0.210 2.054 11.523 1.00 0.00 C ATOM 1275 CG ARG A 83 0.119 2.238 13.029 1.00 0.00 C ATOM 1276 CD ARG A 83 -0.176 0.923 13.733 1.00 0.00 C ATOM 1277 NE ARG A 83 -0.934 1.120 14.966 1.00 0.00 N ATOM 1278 CZ ARG A 83 -1.250 0.136 15.800 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -0.876 -1.108 15.535 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -1.942 0.395 16.902 1.00 0.00 N ATOM 0 H ARG A 83 2.199 0.914 12.870 1.00 0.00 H new ATOM 0 HA ARG A 83 1.564 1.343 10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.140 2.963 11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.462 1.251 11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.056 2.651 13.404 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.663 2.960 13.262 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.737 0.271 13.063 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.761 0.416 13.961 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.237 2.065 15.199 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.344 -1.311 14.689 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.120 -1.862 16.177 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.232 1.351 17.109 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.184 -0.362 17.542 1.00 0.00 H new ATOM 1294 N LEU A 84 3.154 3.236 9.899 1.00 0.00 N ATOM 1295 CA LEU A 84 4.002 4.415 9.756 1.00 0.00 C ATOM 1296 C LEU A 84 3.204 5.597 9.216 1.00 0.00 C ATOM 1297 O LEU A 84 3.431 6.743 9.606 1.00 0.00 O ATOM 1298 CB LEU A 84 5.178 4.111 8.826 1.00 0.00 C ATOM 1299 CG LEU A 84 6.250 3.174 9.383 1.00 0.00 C ATOM 1300 CD1 LEU A 84 5.760 1.734 9.368 1.00 0.00 C ATOM 1301 CD2 LEU A 84 7.541 3.309 8.590 1.00 0.00 C ATOM 0 H LEU A 84 3.140 2.625 9.082 1.00 0.00 H new ATOM 0 HA LEU A 84 4.385 4.679 10.742 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.785 3.676 7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.653 5.054 8.554 1.00 0.00 H new ATOM 0 HG LEU A 84 6.451 3.457 10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.536 1.081 9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.863 1.649 9.981 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.530 1.439 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.292 2.635 9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.356 3.053 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.901 4.336 8.654 1.00 0.00 H new ATOM 1313 N LEU A 85 2.267 5.311 8.318 1.00 0.00 N ATOM 1314 CA LEU A 85 1.432 6.351 7.726 1.00 0.00 C ATOM 1315 C LEU A 85 0.025 6.321 8.314 1.00 0.00 C ATOM 1316 O LEU A 85 -0.537 5.251 8.547 1.00 0.00 O ATOM 1317 CB LEU A 85 1.366 6.176 6.208 1.00 0.00 C ATOM 1318 CG LEU A 85 0.886 7.390 5.412 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.903 8.519 5.495 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.627 7.009 3.962 1.00 0.00 C ATOM 0 H LEU A 85 2.067 4.368 7.984 1.00 0.00 H new ATOM 0 HA LEU A 85 1.881 7.317 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.359 5.902 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.705 5.338 5.988 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.050 7.739 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.544 9.375 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.039 8.810 6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.855 8.182 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.286 7.885 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.547 6.634 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.138 6.234 3.921 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.538 7.502 8.549 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.880 7.610 9.109 1.00 0.00 C ATOM 1334 C GLU A 86 -2.907 7.878 8.012 1.00 0.00 C ATOM 1335 O GLU A 86 -2.620 8.522 7.003 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.932 8.725 10.155 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.920 8.555 11.276 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.417 7.637 12.376 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.647 7.569 12.581 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.576 6.987 13.032 1.00 0.00 O ATOM 0 H GLU A 86 -0.086 8.397 8.360 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.124 6.662 9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.759 9.682 9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.933 8.763 10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.007 8.155 10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.686 9.531 11.701 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.132 7.372 8.214 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.227 7.543 7.254 1.00 0.00 C ATOM 1349 C PRO A 87 -5.725 8.983 7.193 1.00 0.00 C ATOM 1350 O PRO A 87 -5.842 9.565 6.115 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.322 6.621 7.796 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.040 6.515 9.255 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.544 6.594 9.394 1.00 0.00 C ATOM 0 HA PRO A 87 -4.917 7.306 6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.314 7.035 7.614 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.291 5.644 7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.526 7.320 9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.421 5.577 9.659 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.252 7.086 10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.088 5.604 9.402 1.00 0.00 H new ATOM 1361 N SER A 88 -6.016 9.553 8.358 1.00 0.00 N ATOM 1362 CA SER A 88 -6.504 10.925 8.437 1.00 0.00 C ATOM 1363 C SER A 88 -5.563 11.880 7.709 1.00 0.00 C ATOM 1364 O SER A 88 -5.978 12.618 6.815 1.00 0.00 O ATOM 1365 CB SER A 88 -6.653 11.353 9.898 1.00 0.00 C ATOM 1366 OG SER A 88 -5.401 11.343 10.562 1.00 0.00 O ATOM 0 H SER A 88 -5.922 9.086 9.260 1.00 0.00 H new ATOM 0 HA SER A 88 -7.480 10.965 7.953 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.085 12.352 9.945 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.344 10.682 10.408 1.00 0.00 H new ATOM 0 HG SER A 88 -5.523 11.622 11.494 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.293 11.859 8.098 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.290 12.721 7.483 1.00 0.00 C ATOM 1374 C ASP A 89 -3.522 12.837 5.979 1.00 0.00 C ATOM 1375 O ASP A 89 -3.517 13.935 5.424 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.886 12.181 7.755 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.442 12.416 9.185 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -2.315 12.467 10.077 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.222 12.547 9.414 1.00 0.00 O ATOM 0 H ASP A 89 -3.933 11.254 8.837 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.380 13.714 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.863 11.112 7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.179 12.657 7.075 1.00 0.00 H new ATOM 1384 N MET A 90 -3.723 11.696 5.327 1.00 0.00 N ATOM 1385 CA MET A 90 -3.956 11.670 3.888 1.00 0.00 C ATOM 1386 C MET A 90 -5.058 12.650 3.498 1.00 0.00 C ATOM 1387 O MET A 90 -4.921 13.402 2.533 1.00 0.00 O ATOM 1388 CB MET A 90 -4.331 10.258 3.436 1.00 0.00 C ATOM 1389 CG MET A 90 -3.272 9.216 3.759 1.00 0.00 C ATOM 1390 SD MET A 90 -1.947 9.169 2.538 1.00 0.00 S ATOM 1391 CE MET A 90 -2.075 7.478 1.963 1.00 0.00 C ATOM 0 H MET A 90 -3.729 10.778 5.772 1.00 0.00 H new ATOM 0 HA MET A 90 -3.034 11.970 3.391 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.269 9.970 3.911 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.507 10.264 2.360 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.848 9.427 4.741 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.741 8.234 3.818 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.458 7.348 1.074 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.731 6.801 2.745 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.114 7.254 1.720 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.152 12.636 4.254 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.277 13.524 3.988 1.00 0.00 C ATOM 1403 C VAL A 91 -6.912 14.976 4.277 1.00 0.00 C ATOM 1404 O VAL A 91 -7.185 15.868 3.473 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.508 13.139 4.830 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.707 13.991 4.445 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.821 11.659 4.669 1.00 0.00 C ATOM 0 H VAL A 91 -6.282 12.019 5.056 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.521 13.417 2.931 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.282 13.327 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.567 13.704 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.477 15.042 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.939 13.838 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.693 11.404 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.027 11.443 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.967 11.068 5.000 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.292 15.206 5.429 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.888 16.551 5.825 1.00 0.00 C ATOM 1419 C LEU A 92 -5.007 17.191 4.757 1.00 0.00 C ATOM 1420 O LEU A 92 -5.419 18.134 4.080 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.142 16.508 7.160 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.836 15.753 8.293 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.894 15.577 9.474 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -7.102 16.481 8.722 1.00 0.00 C ATOM 0 H LEU A 92 -6.058 14.479 6.105 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.788 17.156 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.165 16.054 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.966 17.532 7.488 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.115 14.765 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.406 15.037 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.017 15.012 9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.583 16.555 9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.583 15.929 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.846 17.482 9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.785 16.554 7.875 1.00 0.00 H new ATOM 1436 N LEU A 93 -3.793 16.672 4.610 1.00 0.00 N ATOM 1437 CA LEU A 93 -2.854 17.191 3.622 1.00 0.00 C ATOM 1438 C LEU A 93 -3.298 16.834 2.207 1.00 0.00 C ATOM 1439 O LEU A 93 -3.893 15.781 1.980 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.451 16.638 3.883 1.00 0.00 C ATOM 1441 CG LEU A 93 -0.736 17.180 5.121 1.00 0.00 C ATOM 1442 CD1 LEU A 93 0.374 16.234 5.552 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.179 18.570 4.849 1.00 0.00 C ATOM 0 H LEU A 93 -3.436 15.892 5.162 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.833 18.277 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.520 15.554 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.832 16.846 3.010 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.460 17.253 5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.872 16.636 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.051 15.258 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.097 16.129 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.327 18.940 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.531 18.522 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.995 19.244 4.588 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.004 17.718 1.259 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.369 17.494 -0.134 1.00 0.00 C ATOM 1457 C ALA A 94 -2.550 16.360 -0.741 1.00 0.00 C ATOM 1458 O ALA A 94 -3.096 15.461 -1.382 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.184 18.771 -0.940 1.00 0.00 C ATOM 0 H ALA A 94 -2.514 18.596 1.431 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.420 17.206 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.460 18.589 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.818 19.556 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.141 19.084 -0.892 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.238 16.408 -0.536 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.345 15.384 -1.063 1.00 0.00 C ATOM 1467 C ILE A 95 0.559 14.826 0.032 1.00 0.00 C ATOM 1468 O ILE A 95 1.293 15.557 0.697 1.00 0.00 O ATOM 1469 CB ILE A 95 0.531 15.934 -2.205 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.344 16.579 -3.282 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.383 14.824 -2.801 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.093 15.577 -4.132 1.00 0.00 C ATOM 0 H ILE A 95 -0.770 17.145 -0.009 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.976 14.585 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 95 1.196 16.696 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.061 17.246 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.283 17.194 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.996 15.228 -3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.028 14.406 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.736 14.041 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.692 16.105 -4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.381 14.925 -4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.746 14.978 -3.498 1.00 0.00 H new ATOM 1484 N PRO A 96 0.506 13.500 0.223 1.00 0.00 N ATOM 1485 CA PRO A 96 1.315 12.813 1.235 1.00 0.00 C ATOM 1486 C PRO A 96 2.798 12.802 0.881 1.00 0.00 C ATOM 1487 O PRO A 96 3.166 12.820 -0.294 1.00 0.00 O ATOM 1488 CB PRO A 96 0.753 11.389 1.231 1.00 0.00 C ATOM 1489 CG PRO A 96 0.170 11.215 -0.128 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.347 12.568 -0.533 1.00 0.00 C ATOM 0 HA PRO A 96 1.258 13.305 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.535 10.654 1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.003 11.260 2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.921 10.858 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.633 10.478 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.260 12.726 -1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.400 12.689 -0.277 1.00 0.00 H new ATOM 1498 N ASP A 97 3.645 12.772 1.904 1.00 0.00 N ATOM 1499 CA ASP A 97 5.089 12.756 1.701 1.00 0.00 C ATOM 1500 C ASP A 97 5.529 11.462 1.023 1.00 0.00 C ATOM 1501 O ASP A 97 5.487 10.389 1.625 1.00 0.00 O ATOM 1502 CB ASP A 97 5.815 12.919 3.037 1.00 0.00 C ATOM 1503 CG ASP A 97 5.702 14.327 3.589 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.677 14.630 4.234 1.00 0.00 O ATOM 1505 OD2 ASP A 97 6.639 15.125 3.377 1.00 0.00 O ATOM 0 H ASP A 97 3.357 12.758 2.882 1.00 0.00 H new ATOM 0 HA ASP A 97 5.349 13.591 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.403 12.214 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.867 12.665 2.909 1.00 0.00 H new ATOM 1510 N LYS A 98 5.949 11.571 -0.232 1.00 0.00 N ATOM 1511 CA LYS A 98 6.397 10.410 -0.993 1.00 0.00 C ATOM 1512 C LYS A 98 7.401 9.589 -0.191 1.00 0.00 C ATOM 1513 O LYS A 98 7.318 8.361 -0.145 1.00 0.00 O ATOM 1514 CB LYS A 98 7.025 10.854 -2.316 1.00 0.00 C ATOM 1515 CG LYS A 98 7.636 9.713 -3.112 1.00 0.00 C ATOM 1516 CD LYS A 98 8.776 10.196 -3.993 1.00 0.00 C ATOM 1517 CE LYS A 98 9.493 9.034 -4.663 1.00 0.00 C ATOM 1518 NZ LYS A 98 10.072 9.423 -5.978 1.00 0.00 N ATOM 0 H LYS A 98 5.989 12.452 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 98 5.528 9.785 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.264 11.343 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.796 11.597 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.002 8.947 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.869 9.248 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.388 10.873 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.485 10.765 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.287 8.672 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.795 8.209 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.552 8.604 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.312 9.745 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.758 10.193 -5.841 1.00 0.00 H new ATOM 1532 N LEU A 99 8.349 10.273 0.439 1.00 0.00 N ATOM 1533 CA LEU A 99 9.369 9.607 1.241 1.00 0.00 C ATOM 1534 C LEU A 99 8.732 8.743 2.325 1.00 0.00 C ATOM 1535 O LEU A 99 9.047 7.560 2.458 1.00 0.00 O ATOM 1536 CB LEU A 99 10.301 10.640 1.878 1.00 0.00 C ATOM 1537 CG LEU A 99 11.030 11.573 0.910 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.922 12.540 1.672 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.845 10.770 -0.093 1.00 0.00 C ATOM 0 H LEU A 99 8.433 11.289 0.410 1.00 0.00 H new ATOM 0 HA LEU A 99 9.949 8.961 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.718 11.249 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.046 10.110 2.471 1.00 0.00 H new ATOM 0 HG LEU A 99 10.286 12.151 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.433 13.196 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.314 13.139 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.660 11.979 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.357 11.450 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.581 10.165 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.182 10.118 -0.662 1.00 0.00 H new ATOM 1551 N THR A 100 7.831 9.342 3.098 1.00 0.00 N ATOM 1552 CA THR A 100 7.148 8.629 4.170 1.00 0.00 C ATOM 1553 C THR A 100 6.410 7.407 3.634 1.00 0.00 C ATOM 1554 O THR A 100 6.629 6.286 4.093 1.00 0.00 O ATOM 1555 CB THR A 100 6.145 9.540 4.902 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.826 10.671 5.458 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.429 8.779 6.007 1.00 0.00 C ATOM 0 H THR A 100 7.557 10.320 3.001 1.00 0.00 H new ATOM 0 HA THR A 100 7.915 8.307 4.874 1.00 0.00 H new ATOM 0 HB THR A 100 5.404 9.882 4.179 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.181 11.246 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.726 9.443 6.510 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.888 7.936 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.159 8.411 6.728 1.00 0.00 H new ATOM 1565 N VAL A 101 5.535 7.631 2.658 1.00 0.00 N ATOM 1566 CA VAL A 101 4.766 6.548 2.058 1.00 0.00 C ATOM 1567 C VAL A 101 5.679 5.427 1.576 1.00 0.00 C ATOM 1568 O VAL A 101 5.590 4.293 2.048 1.00 0.00 O ATOM 1569 CB VAL A 101 3.919 7.050 0.874 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.218 5.888 0.188 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.912 8.090 1.342 1.00 0.00 C ATOM 0 H VAL A 101 5.342 8.553 2.267 1.00 0.00 H new ATOM 0 HA VAL A 101 4.102 6.164 2.833 1.00 0.00 H new ATOM 0 HB VAL A 101 4.583 7.521 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.624 6.262 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.961 5.183 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.565 5.385 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.322 8.434 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.251 7.647 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.440 8.936 1.783 1.00 0.00 H new ATOM 1581 N MET A 102 6.559 5.751 0.634 1.00 0.00 N ATOM 1582 CA MET A 102 7.490 4.770 0.089 1.00 0.00 C ATOM 1583 C MET A 102 8.150 3.968 1.206 1.00 0.00 C ATOM 1584 O MET A 102 8.313 2.752 1.098 1.00 0.00 O ATOM 1585 CB MET A 102 8.560 5.466 -0.755 1.00 0.00 C ATOM 1586 CG MET A 102 8.122 5.740 -2.185 1.00 0.00 C ATOM 1587 SD MET A 102 9.490 6.248 -3.245 1.00 0.00 S ATOM 1588 CE MET A 102 9.611 4.836 -4.340 1.00 0.00 C ATOM 0 H MET A 102 6.647 6.685 0.233 1.00 0.00 H new ATOM 0 HA MET A 102 6.927 4.084 -0.544 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.830 6.409 -0.279 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.458 4.848 -0.771 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.661 4.843 -2.598 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.359 6.519 -2.184 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.646 4.499 -4.386 1.00 0.00 H new ATOM 0 HE2 MET A 102 8.983 4.029 -3.964 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.278 5.120 -5.338 1.00 0.00 H new ATOM 1598 N THR A 103 8.528 4.655 2.279 1.00 0.00 N ATOM 1599 CA THR A 103 9.171 4.007 3.415 1.00 0.00 C ATOM 1600 C THR A 103 8.300 2.888 3.974 1.00 0.00 C ATOM 1601 O THR A 103 8.745 1.746 4.101 1.00 0.00 O ATOM 1602 CB THR A 103 9.476 5.015 4.539 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.328 6.055 4.046 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.141 4.324 5.720 1.00 0.00 C ATOM 0 H THR A 103 8.400 5.661 2.385 1.00 0.00 H new ATOM 0 HA THR A 103 10.108 3.587 3.050 1.00 0.00 H new ATOM 0 HB THR A 103 8.534 5.447 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.781 6.806 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.347 5.056 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.477 3.553 6.111 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.076 3.868 5.395 1.00 0.00 H new ATOM 1612 N TYR A 104 7.058 3.221 4.307 1.00 0.00 N ATOM 1613 CA TYR A 104 6.125 2.244 4.855 1.00 0.00 C ATOM 1614 C TYR A 104 6.012 1.027 3.942 1.00 0.00 C ATOM 1615 O TYR A 104 6.286 -0.101 4.354 1.00 0.00 O ATOM 1616 CB TYR A 104 4.747 2.877 5.052 1.00 0.00 C ATOM 1617 CG TYR A 104 3.690 1.898 5.510 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.943 1.007 6.546 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.438 1.865 4.908 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.980 0.111 6.967 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.469 0.972 5.323 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.745 0.097 6.353 1.00 0.00 C ATOM 1623 OH TYR A 104 0.783 -0.794 6.771 1.00 0.00 O ATOM 0 H TYR A 104 6.674 4.161 4.207 1.00 0.00 H new ATOM 0 HA TYR A 104 6.508 1.917 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.827 3.681 5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.428 3.331 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.909 1.015 7.030 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.219 2.549 4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.193 -0.575 7.773 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.501 0.959 4.844 1.00 0.00 H new ATOM 0 HH TYR A 104 0.382 -1.232 5.991 1.00 0.00 H new ATOM 1633 N LEU A 105 5.608 1.264 2.699 1.00 0.00 N ATOM 1634 CA LEU A 105 5.459 0.189 1.724 1.00 0.00 C ATOM 1635 C LEU A 105 6.631 -0.785 1.805 1.00 0.00 C ATOM 1636 O LEU A 105 6.442 -1.983 2.020 1.00 0.00 O ATOM 1637 CB LEU A 105 5.356 0.765 0.311 1.00 0.00 C ATOM 1638 CG LEU A 105 3.985 1.308 -0.094 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.124 2.323 -1.217 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.064 0.171 -0.511 1.00 0.00 C ATOM 0 H LEU A 105 5.378 2.191 2.342 1.00 0.00 H new ATOM 0 HA LEU A 105 4.542 -0.354 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.086 1.569 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.641 -0.012 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 105 3.544 1.809 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.138 2.699 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.748 3.152 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.585 1.847 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.093 0.575 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.500 -0.358 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.939 -0.520 0.322 1.00 0.00 H new ATOM 1652 N TYR A 106 7.840 -0.263 1.632 1.00 0.00 N ATOM 1653 CA TYR A 106 9.042 -1.086 1.685 1.00 0.00 C ATOM 1654 C TYR A 106 8.911 -2.175 2.745 1.00 0.00 C ATOM 1655 O TYR A 106 9.426 -3.281 2.580 1.00 0.00 O ATOM 1656 CB TYR A 106 10.267 -0.218 1.978 1.00 0.00 C ATOM 1657 CG TYR A 106 10.839 0.458 0.752 1.00 0.00 C ATOM 1658 CD1 TYR A 106 11.280 -0.288 -0.334 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.935 1.842 0.679 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.804 0.325 -1.456 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.456 2.464 -0.440 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.889 1.701 -1.504 1.00 0.00 C ATOM 1663 OH TYR A 106 12.408 2.316 -2.620 1.00 0.00 O ATOM 0 H TYR A 106 8.014 0.726 1.454 1.00 0.00 H new ATOM 0 HA TYR A 106 9.167 -1.564 0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.995 0.544 2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 106 11.039 -0.837 2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 106 11.212 -1.365 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.597 2.442 1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 106 12.145 -0.270 -2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.524 3.541 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 106 12.396 3.288 -2.493 1.00 0.00 H new ATOM 1673 N GLN A 107 8.218 -1.853 3.832 1.00 0.00 N ATOM 1674 CA GLN A 107 8.018 -2.804 4.920 1.00 0.00 C ATOM 1675 C GLN A 107 7.164 -3.981 4.463 1.00 0.00 C ATOM 1676 O GLN A 107 7.578 -5.137 4.562 1.00 0.00 O ATOM 1677 CB GLN A 107 7.359 -2.113 6.115 1.00 0.00 C ATOM 1678 CG GLN A 107 8.055 -0.828 6.534 1.00 0.00 C ATOM 1679 CD GLN A 107 9.343 -1.081 7.292 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.362 -1.826 8.273 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.427 -0.462 6.842 1.00 0.00 N ATOM 0 H GLN A 107 7.786 -0.942 3.983 1.00 0.00 H new ATOM 0 HA GLN A 107 8.994 -3.183 5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.321 -1.890 5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.345 -2.801 6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.271 -0.231 5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.381 -0.241 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.365 0.146 6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.322 -0.594 7.312 1.00 0.00 H new ATOM 1690 N ILE A 108 5.969 -3.681 3.964 1.00 0.00 N ATOM 1691 CA ILE A 108 5.057 -4.715 3.492 1.00 0.00 C ATOM 1692 C ILE A 108 5.703 -5.561 2.400 1.00 0.00 C ATOM 1693 O ILE A 108 5.893 -6.766 2.565 1.00 0.00 O ATOM 1694 CB ILE A 108 3.750 -4.108 2.950 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.015 -3.351 4.059 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.862 -5.198 2.368 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.442 -1.905 4.187 1.00 0.00 C ATOM 0 H ILE A 108 5.610 -2.730 3.876 1.00 0.00 H new ATOM 0 HA ILE A 108 4.826 -5.347 4.349 1.00 0.00 H new ATOM 0 HB ILE A 108 3.996 -3.403 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.943 -3.389 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.186 -3.858 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.942 -4.754 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.386 -5.698 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.621 -5.924 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.881 -1.430 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.508 -1.859 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.246 -1.383 3.250 1.00 0.00 H new ATOM 1709 N ARG A 109 6.039 -4.921 1.285 1.00 0.00 N ATOM 1710 CA ARG A 109 6.664 -5.615 0.165 1.00 0.00 C ATOM 1711 C ARG A 109 7.820 -6.489 0.644 1.00 0.00 C ATOM 1712 O ARG A 109 8.050 -7.575 0.113 1.00 0.00 O ATOM 1713 CB ARG A 109 7.168 -4.607 -0.869 1.00 0.00 C ATOM 1714 CG ARG A 109 8.045 -5.225 -1.946 1.00 0.00 C ATOM 1715 CD ARG A 109 8.978 -4.196 -2.564 1.00 0.00 C ATOM 1716 NE ARG A 109 10.099 -4.821 -3.260 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.215 -4.177 -3.583 1.00 0.00 C ATOM 1718 NH1 ARG A 109 11.358 -2.896 -3.275 1.00 0.00 N ATOM 1719 NH2 ARG A 109 12.191 -4.815 -4.216 1.00 0.00 N ATOM 0 H ARG A 109 5.889 -3.924 1.133 1.00 0.00 H new ATOM 0 HA ARG A 109 5.914 -6.256 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.312 -4.126 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.731 -3.826 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.631 -6.038 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.416 -5.661 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.419 -3.574 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.358 -3.537 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 109 10.021 -5.806 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.610 -2.402 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.216 -2.404 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.085 -5.801 -4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.048 -4.320 -4.464 1.00 0.00 H new ATOM 1733 N ALA A 110 8.543 -6.007 1.649 1.00 0.00 N ATOM 1734 CA ALA A 110 9.673 -6.745 2.200 1.00 0.00 C ATOM 1735 C ALA A 110 9.200 -7.936 3.027 1.00 0.00 C ATOM 1736 O ALA A 110 9.872 -8.966 3.091 1.00 0.00 O ATOM 1737 CB ALA A 110 10.542 -5.825 3.045 1.00 0.00 C ATOM 0 H ALA A 110 8.366 -5.109 2.098 1.00 0.00 H new ATOM 0 HA ALA A 110 10.267 -7.126 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.382 -6.389 3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.917 -5.009 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.950 -5.417 3.864 1.00 0.00 H new ATOM 1743 N HIS A 111 8.040 -7.788 3.660 1.00 0.00 N ATOM 1744 CA HIS A 111 7.478 -8.852 4.484 1.00 0.00 C ATOM 1745 C HIS A 111 7.066 -10.044 3.625 1.00 0.00 C ATOM 1746 O HIS A 111 7.408 -11.188 3.927 1.00 0.00 O ATOM 1747 CB HIS A 111 6.273 -8.335 5.269 1.00 0.00 C ATOM 1748 CG HIS A 111 5.794 -9.283 6.326 1.00 0.00 C ATOM 1749 ND1 HIS A 111 6.208 -9.217 7.640 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.932 -10.324 6.256 1.00 0.00 C ATOM 1751 CE1 HIS A 111 5.621 -10.176 8.332 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.841 -10.862 7.516 1.00 0.00 N ATOM 0 H HIS A 111 7.472 -6.942 3.618 1.00 0.00 H new ATOM 0 HA HIS A 111 8.246 -9.179 5.185 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.534 -7.385 5.736 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.457 -8.135 4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.413 -10.667 5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.756 -10.367 9.386 1.00 0.00 H new ATOM 0 HE2 HIS A 111 4.265 -11.661 7.779 1.00 0.00 H new ATOM 1761 N PHE A 112 6.331 -9.769 2.553 1.00 0.00 N ATOM 1762 CA PHE A 112 5.871 -10.819 1.651 1.00 0.00 C ATOM 1763 C PHE A 112 6.983 -11.240 0.696 1.00 0.00 C ATOM 1764 O PHE A 112 7.175 -12.428 0.435 1.00 0.00 O ATOM 1765 CB PHE A 112 4.654 -10.341 0.856 1.00 0.00 C ATOM 1766 CG PHE A 112 3.420 -10.169 1.695 1.00 0.00 C ATOM 1767 CD1 PHE A 112 3.310 -9.109 2.580 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.369 -11.067 1.597 1.00 0.00 C ATOM 1769 CE1 PHE A 112 2.176 -8.949 3.354 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.232 -10.912 2.367 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.135 -9.851 3.246 1.00 0.00 C ATOM 0 H PHE A 112 6.041 -8.828 2.287 1.00 0.00 H new ATOM 0 HA PHE A 112 5.587 -11.682 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.893 -9.392 0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.446 -11.056 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.120 -8.399 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.439 -11.898 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.104 -8.120 4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 112 0.420 -11.619 2.282 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.247 -9.727 3.848 1.00 0.00 H new