USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 72 THR OG1 : rot 116:sc= 0.121 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0.125 USER MOD Set 2.1: A 39 GLN : amide:sc= -4.49! C(o=-3.8!,f=-8.3!) USER MOD Set 2.2: A 59 TYR OH : rot -56:sc= 0.682 USER MOD Single : A 14 SER OG : rot 180:sc= -1.46 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.956! USER MOD Single : A 35 ASN : amide:sc= -2.99! C(o=-3!,f=-3.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.14) USER MOD Single : A 47 CYS SG : rot -130:sc= -0.87 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -140:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -16:sc= 0.938 USER MOD Single : A 64 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.7!) USER MOD Single : A 68 CYS SG : rot 180:sc= -1.82! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 154:sc= -1.79! (180deg=-2.63) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -138:sc= -3.45 (180deg=-6.28!) USER MOD Single : A 91 LYS NZ :NH3+ -112:sc= -0.12 (180deg=-0.568) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0368 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -1.638 15.629 -12.234 1.00 0.00 N ATOM 121 CA ARG A 12 -2.296 14.723 -13.161 1.00 0.00 C ATOM 122 C ARG A 12 -1.970 13.271 -12.806 1.00 0.00 C ATOM 123 O ARG A 12 -0.841 12.959 -12.429 1.00 0.00 O ATOM 124 CB ARG A 12 -1.861 14.999 -14.602 1.00 0.00 C ATOM 125 CG ARG A 12 -0.343 14.885 -14.748 1.00 0.00 C ATOM 126 CD ARG A 12 0.334 16.235 -14.503 1.00 0.00 C ATOM 127 NE ARG A 12 0.887 16.762 -15.770 1.00 0.00 N ATOM 128 CZ ARG A 12 0.232 17.600 -16.585 1.00 0.00 C ATOM 129 NH1 ARG A 12 -1.004 18.012 -16.270 1.00 0.00 N ATOM 130 NH2 ARG A 12 0.812 18.027 -17.715 1.00 0.00 N ATOM 0 HA ARG A 12 -3.370 14.888 -13.080 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.349 14.293 -15.274 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.184 15.997 -14.898 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.040 14.149 -14.041 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.096 14.526 -15.747 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.385 16.942 -14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.131 16.123 -13.768 1.00 0.00 H new ATOM 0 HE ARG A 12 1.826 16.469 -16.040 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.446 17.688 -15.410 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.503 18.650 -16.890 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.753 17.714 -17.955 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.313 18.665 -18.335 1.00 0.00 H new ATOM 144 N TRP A 13 -2.978 12.422 -12.939 1.00 0.00 N ATOM 145 CA TRP A 13 -2.813 11.011 -12.637 1.00 0.00 C ATOM 146 C TRP A 13 -3.137 10.215 -13.904 1.00 0.00 C ATOM 147 O TRP A 13 -3.868 10.692 -14.770 1.00 0.00 O ATOM 148 CB TRP A 13 -3.671 10.602 -11.439 1.00 0.00 C ATOM 149 CG TRP A 13 -3.228 11.227 -10.114 1.00 0.00 C ATOM 150 CD1 TRP A 13 -3.277 12.516 -9.752 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.661 10.532 -8.983 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.787 12.702 -8.476 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.400 11.457 -7.993 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.379 9.166 -8.802 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.844 11.119 -6.754 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.824 8.844 -7.558 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.555 9.764 -6.551 1.00 0.00 C ATOM 0 H TRP A 13 -3.913 12.685 -13.252 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.785 10.797 -12.345 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.706 10.883 -11.633 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.648 9.517 -11.343 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.653 13.310 -10.380 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.721 13.590 -7.978 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.575 8.425 -9.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.648 11.863 -5.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.588 7.808 -7.367 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.125 9.435 -5.616 1.00 0.00 H new ATOM 168 N SER A 14 -2.577 9.016 -13.971 1.00 0.00 N ATOM 169 CA SER A 14 -2.798 8.150 -15.116 1.00 0.00 C ATOM 170 C SER A 14 -4.071 7.327 -14.913 1.00 0.00 C ATOM 171 O SER A 14 -4.740 7.455 -13.889 1.00 0.00 O ATOM 172 CB SER A 14 -1.600 7.227 -15.347 1.00 0.00 C ATOM 173 OG SER A 14 -1.090 7.335 -16.673 1.00 0.00 O ATOM 0 H SER A 14 -1.971 8.624 -13.251 1.00 0.00 H new ATOM 0 HA SER A 14 -2.916 8.776 -16.000 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.812 7.471 -14.635 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.895 6.195 -15.155 1.00 0.00 H new ATOM 0 HG SER A 14 -0.325 6.731 -16.780 1.00 0.00 H new ATOM 179 N PRO A 15 -4.376 6.478 -15.931 1.00 0.00 N ATOM 180 CA PRO A 15 -5.557 5.634 -15.873 1.00 0.00 C ATOM 181 C PRO A 15 -5.348 4.462 -14.913 1.00 0.00 C ATOM 182 O PRO A 15 -4.228 3.979 -14.752 1.00 0.00 O ATOM 183 CB PRO A 15 -5.795 5.192 -17.308 1.00 0.00 C ATOM 184 CG PRO A 15 -4.481 5.420 -18.037 1.00 0.00 C ATOM 185 CD PRO A 15 -3.607 6.300 -17.159 1.00 0.00 C ATOM 0 HA PRO A 15 -6.429 6.158 -15.481 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.088 4.143 -17.350 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.600 5.767 -17.765 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.986 4.470 -18.238 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.657 5.898 -19.001 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.645 5.829 -16.959 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.400 7.257 -17.639 1.00 0.00 H new ATOM 193 N PRO A 16 -6.472 4.028 -14.282 1.00 0.00 N ATOM 194 CA PRO A 16 -6.422 2.921 -13.342 1.00 0.00 C ATOM 195 C PRO A 16 -6.274 1.586 -14.074 1.00 0.00 C ATOM 196 O PRO A 16 -6.746 1.435 -15.200 1.00 0.00 O ATOM 197 CB PRO A 16 -7.713 3.023 -12.546 1.00 0.00 C ATOM 198 CG PRO A 16 -8.646 3.892 -13.374 1.00 0.00 C ATOM 199 CD PRO A 16 -7.815 4.576 -14.448 1.00 0.00 C ATOM 0 HA PRO A 16 -5.557 2.969 -12.681 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.146 2.037 -12.376 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.534 3.466 -11.566 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.431 3.286 -13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.139 4.632 -12.743 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.207 4.369 -15.444 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.819 5.659 -14.322 1.00 0.00 H new ATOM 207 N ARG A 17 -5.617 0.650 -13.404 1.00 0.00 N ATOM 208 CA ARG A 17 -5.402 -0.668 -13.976 1.00 0.00 C ATOM 209 C ARG A 17 -6.259 -1.708 -13.253 1.00 0.00 C ATOM 210 O ARG A 17 -6.194 -1.830 -12.031 1.00 0.00 O ATOM 211 CB ARG A 17 -3.930 -1.075 -13.882 1.00 0.00 C ATOM 212 CG ARG A 17 -3.251 -0.402 -12.687 1.00 0.00 C ATOM 213 CD ARG A 17 -1.787 -0.835 -12.574 1.00 0.00 C ATOM 214 NE ARG A 17 -1.011 -0.297 -13.713 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.612 0.978 -13.815 1.00 0.00 C ATOM 216 NH1 ARG A 17 -0.914 1.854 -12.847 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.089 1.378 -14.885 1.00 0.00 N ATOM 0 H ARG A 17 -5.227 0.779 -12.470 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.689 -0.624 -15.027 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.854 -2.158 -13.786 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.413 -0.799 -14.801 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.307 0.681 -12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.782 -0.659 -11.770 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.365 -0.478 -11.635 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.721 -1.923 -12.560 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.764 -0.937 -14.468 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.448 1.550 -12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.610 2.825 -12.925 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.319 0.712 -15.622 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.392 2.349 -14.962 1.00 0.00 H new ATOM 231 N GLY A 18 -7.043 -2.432 -14.038 1.00 0.00 N ATOM 232 CA GLY A 18 -7.913 -3.457 -13.488 1.00 0.00 C ATOM 233 C GLY A 18 -7.121 -4.719 -13.141 1.00 0.00 C ATOM 234 O GLY A 18 -6.758 -5.492 -14.027 1.00 0.00 O ATOM 0 H GLY A 18 -7.094 -2.329 -15.051 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.409 -3.077 -12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.695 -3.700 -14.208 1.00 0.00 H new ATOM 238 N ILE A 19 -6.875 -4.890 -11.850 1.00 0.00 N ATOM 239 CA ILE A 19 -6.133 -6.045 -11.376 1.00 0.00 C ATOM 240 C ILE A 19 -7.116 -7.130 -10.930 1.00 0.00 C ATOM 241 O ILE A 19 -8.211 -6.825 -10.460 1.00 0.00 O ATOM 242 CB ILE A 19 -5.137 -5.633 -10.290 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.431 -4.327 -10.660 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.144 -6.760 -10.000 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.302 -4.016 -9.676 1.00 0.00 C ATOM 0 H ILE A 19 -7.177 -4.247 -11.118 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.534 -6.469 -12.181 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.692 -5.449 -9.370 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.028 -4.401 -11.670 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.151 -3.509 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.448 -6.441 -9.225 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.685 -7.643 -9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.591 -7.000 -10.908 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.817 -3.083 -9.962 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.712 -3.919 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.571 -4.825 -9.693 1.00 0.00 H new ATOM 257 N HIS A 20 -6.689 -8.373 -11.093 1.00 0.00 N ATOM 258 CA HIS A 20 -7.518 -9.505 -10.713 1.00 0.00 C ATOM 259 C HIS A 20 -6.693 -10.489 -9.881 1.00 0.00 C ATOM 260 O HIS A 20 -5.792 -11.145 -10.402 1.00 0.00 O ATOM 261 CB HIS A 20 -8.149 -10.154 -11.946 1.00 0.00 C ATOM 262 CG HIS A 20 -7.240 -10.196 -13.151 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.190 -9.179 -14.088 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.347 -11.142 -13.561 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.304 -9.509 -15.016 1.00 0.00 C ATOM 266 NE2 HIS A 20 -5.783 -10.726 -14.688 1.00 0.00 N ATOM 0 H HIS A 20 -5.780 -8.622 -11.483 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.345 -9.162 -10.091 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.450 -11.171 -11.695 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.056 -9.609 -12.207 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.135 -12.072 -13.054 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.040 -8.918 -15.881 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.076 -11.233 -15.221 1.00 0.00 H new ATOM 274 N PHE A 21 -7.030 -10.560 -8.602 1.00 0.00 N ATOM 275 CA PHE A 21 -6.331 -11.453 -7.693 1.00 0.00 C ATOM 276 C PHE A 21 -7.199 -11.787 -6.477 1.00 0.00 C ATOM 277 O PHE A 21 -8.272 -11.212 -6.299 1.00 0.00 O ATOM 278 CB PHE A 21 -5.075 -10.719 -7.221 1.00 0.00 C ATOM 279 CG PHE A 21 -5.359 -9.511 -6.326 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.696 -8.317 -6.881 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.275 -9.633 -4.974 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.960 -7.196 -6.050 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.539 -8.512 -4.142 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.876 -7.317 -4.698 1.00 0.00 C ATOM 0 H PHE A 21 -7.777 -10.014 -8.173 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.090 -12.386 -8.202 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.440 -11.419 -6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.511 -10.388 -8.093 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.763 -8.221 -7.955 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.008 -10.582 -4.533 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.227 -6.247 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.472 -8.609 -3.068 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.077 -6.465 -4.066 1.00 0.00 H new ATOM 294 N THR A 22 -6.702 -12.714 -5.672 1.00 0.00 N ATOM 295 CA THR A 22 -7.418 -13.131 -4.479 1.00 0.00 C ATOM 296 C THR A 22 -6.660 -12.697 -3.223 1.00 0.00 C ATOM 297 O THR A 22 -5.510 -13.084 -3.022 1.00 0.00 O ATOM 298 CB THR A 22 -7.638 -14.643 -4.563 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.827 -14.778 -5.337 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.002 -15.258 -3.210 1.00 0.00 C ATOM 0 H THR A 22 -5.812 -13.188 -5.823 1.00 0.00 H new ATOM 0 HA THR A 22 -8.394 -12.649 -4.415 1.00 0.00 H new ATOM 0 HB THR A 22 -6.737 -15.120 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.043 -15.728 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.147 -16.332 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.196 -15.075 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.922 -14.805 -2.840 1.00 0.00 H new ATOM 308 N VAL A 23 -7.335 -11.897 -2.410 1.00 0.00 N ATOM 309 CA VAL A 23 -6.740 -11.406 -1.179 1.00 0.00 C ATOM 310 C VAL A 23 -6.369 -12.593 -0.287 1.00 0.00 C ATOM 311 O VAL A 23 -7.031 -13.629 -0.320 1.00 0.00 O ATOM 312 CB VAL A 23 -7.689 -10.419 -0.496 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.201 -10.074 0.913 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.866 -9.155 -1.340 1.00 0.00 C ATOM 0 H VAL A 23 -8.288 -11.577 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.821 -10.859 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.663 -10.900 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.893 -9.371 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.151 -10.982 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.211 -9.623 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.545 -8.470 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.899 -8.671 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.280 -9.422 -2.312 1.00 0.00 H new ATOM 324 N GLU A 24 -5.313 -12.401 0.489 1.00 0.00 N ATOM 325 CA GLU A 24 -4.846 -13.443 1.388 1.00 0.00 C ATOM 326 C GLU A 24 -4.847 -12.938 2.832 1.00 0.00 C ATOM 327 O GLU A 24 -4.100 -12.023 3.174 1.00 0.00 O ATOM 328 CB GLU A 24 -3.456 -13.936 0.981 1.00 0.00 C ATOM 329 CG GLU A 24 -3.552 -15.196 0.118 1.00 0.00 C ATOM 330 CD GLU A 24 -2.861 -16.380 0.798 1.00 0.00 C ATOM 331 OE1 GLU A 24 -2.969 -16.463 2.040 1.00 0.00 O ATOM 332 OE2 GLU A 24 -2.240 -17.175 0.059 1.00 0.00 O ATOM 0 H GLU A 24 -4.767 -11.540 0.514 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.530 -14.289 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.935 -13.153 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.865 -14.146 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.599 -15.437 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.093 -15.012 -0.853 1.00 0.00 H new ATOM 339 N GLU A 25 -5.695 -13.557 3.641 1.00 0.00 N ATOM 340 CA GLU A 25 -5.804 -13.181 5.040 1.00 0.00 C ATOM 341 C GLU A 25 -4.659 -13.799 5.846 1.00 0.00 C ATOM 342 O GLU A 25 -4.892 -14.452 6.861 1.00 0.00 O ATOM 343 CB GLU A 25 -7.162 -13.591 5.614 1.00 0.00 C ATOM 344 CG GLU A 25 -8.301 -13.162 4.687 1.00 0.00 C ATOM 345 CD GLU A 25 -9.535 -14.042 4.891 1.00 0.00 C ATOM 346 OE1 GLU A 25 -9.430 -15.248 4.578 1.00 0.00 O ATOM 347 OE2 GLU A 25 -10.556 -13.490 5.356 1.00 0.00 O ATOM 0 H GLU A 25 -6.313 -14.316 3.354 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.729 -12.096 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.190 -14.672 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.297 -13.138 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.557 -12.120 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.973 -13.224 3.649 1.00 0.00 H new ATOM 354 N GLY A 26 -3.447 -13.570 5.362 1.00 0.00 N ATOM 355 CA GLY A 26 -2.266 -14.096 6.024 1.00 0.00 C ATOM 356 C GLY A 26 -0.989 -13.601 5.343 1.00 0.00 C ATOM 357 O GLY A 26 -0.001 -13.298 6.011 1.00 0.00 O ATOM 0 H GLY A 26 -3.258 -13.027 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.266 -13.792 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.291 -15.186 6.009 1.00 0.00 H new ATOM 361 N ASP A 27 -1.050 -13.533 4.021 1.00 0.00 N ATOM 362 CA ASP A 27 0.090 -13.080 3.241 1.00 0.00 C ATOM 363 C ASP A 27 -0.409 -12.395 1.967 1.00 0.00 C ATOM 364 O ASP A 27 -0.637 -13.053 0.953 1.00 0.00 O ATOM 365 CB ASP A 27 0.978 -14.256 2.829 1.00 0.00 C ATOM 366 CG ASP A 27 0.271 -15.611 2.772 1.00 0.00 C ATOM 367 OD1 ASP A 27 -0.058 -16.126 3.862 1.00 0.00 O ATOM 368 OD2 ASP A 27 0.076 -16.102 1.639 1.00 0.00 O ATOM 0 H ASP A 27 -1.871 -13.784 3.470 1.00 0.00 H new ATOM 0 HA ASP A 27 0.668 -12.391 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.404 -14.044 1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.810 -14.326 3.530 1.00 0.00 H new ATOM 373 N LEU A 28 -0.566 -11.083 2.061 1.00 0.00 N ATOM 374 CA LEU A 28 -1.034 -10.302 0.929 1.00 0.00 C ATOM 375 C LEU A 28 0.087 -10.191 -0.107 1.00 0.00 C ATOM 376 O LEU A 28 -0.167 -10.243 -1.309 1.00 0.00 O ATOM 377 CB LEU A 28 -1.574 -8.950 1.398 1.00 0.00 C ATOM 378 CG LEU A 28 -2.902 -8.985 2.156 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.171 -7.650 2.853 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.052 -9.389 1.231 1.00 0.00 C ATOM 0 H LEU A 28 -0.377 -10.541 2.904 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.871 -10.802 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.825 -8.484 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.693 -8.306 0.526 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.831 -9.746 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.121 -7.702 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.370 -7.442 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.214 -6.854 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.984 -9.406 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.134 -8.669 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.858 -10.380 0.821 1.00 0.00 H new ATOM 392 N GLY A 29 1.303 -10.040 0.398 1.00 0.00 N ATOM 393 CA GLY A 29 2.463 -9.922 -0.469 1.00 0.00 C ATOM 394 C GLY A 29 2.819 -8.453 -0.710 1.00 0.00 C ATOM 395 O GLY A 29 3.700 -8.148 -1.513 1.00 0.00 O ATOM 0 H GLY A 29 1.510 -9.997 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.312 -10.437 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.261 -10.412 -1.421 1.00 0.00 H new ATOM 399 N PHE A 30 2.117 -7.583 0.001 1.00 0.00 N ATOM 400 CA PHE A 30 2.348 -6.154 -0.126 1.00 0.00 C ATOM 401 C PHE A 30 1.659 -5.385 1.003 1.00 0.00 C ATOM 402 O PHE A 30 0.753 -5.906 1.651 1.00 0.00 O ATOM 403 CB PHE A 30 1.747 -5.720 -1.464 1.00 0.00 C ATOM 404 CG PHE A 30 0.218 -5.754 -1.499 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.439 -6.941 -1.395 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.485 -4.598 -1.635 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.858 -6.972 -1.428 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.904 -4.629 -1.667 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.561 -5.816 -1.563 1.00 0.00 C ATOM 0 H PHE A 30 1.388 -7.840 0.667 1.00 0.00 H new ATOM 0 HA PHE A 30 3.416 -5.944 -0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.083 -4.708 -1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.133 -6.368 -2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.119 -7.859 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.036 -3.656 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.379 -7.914 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.462 -3.710 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.640 -5.840 -1.588 1.00 0.00 H new ATOM 419 N THR A 31 2.114 -4.157 1.203 1.00 0.00 N ATOM 420 CA THR A 31 1.552 -3.311 2.242 1.00 0.00 C ATOM 421 C THR A 31 1.161 -1.948 1.667 1.00 0.00 C ATOM 422 O THR A 31 1.381 -1.682 0.486 1.00 0.00 O ATOM 423 CB THR A 31 2.570 -3.220 3.380 1.00 0.00 C ATOM 424 OG1 THR A 31 2.446 -1.881 3.852 1.00 0.00 O ATOM 425 CG2 THR A 31 4.014 -3.307 2.883 1.00 0.00 C ATOM 0 H THR A 31 2.865 -3.728 0.663 1.00 0.00 H new ATOM 0 HA THR A 31 0.632 -3.736 2.643 1.00 0.00 H new ATOM 0 HB THR A 31 2.384 -4.020 4.097 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.071 -1.736 4.593 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.695 -3.237 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.166 -4.258 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.211 -2.488 2.191 1.00 0.00 H new ATOM 433 N LEU A 32 0.588 -1.120 2.528 1.00 0.00 N ATOM 434 CA LEU A 32 0.164 0.209 2.120 1.00 0.00 C ATOM 435 C LEU A 32 0.792 1.248 3.051 1.00 0.00 C ATOM 436 O LEU A 32 0.930 1.010 4.250 1.00 0.00 O ATOM 437 CB LEU A 32 -1.362 0.287 2.052 1.00 0.00 C ATOM 438 CG LEU A 32 -2.067 -0.907 1.405 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.586 -0.792 1.550 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.641 -1.070 -0.055 1.00 0.00 C ATOM 0 H LEU A 32 0.407 -1.344 3.507 1.00 0.00 H new ATOM 0 HA LEU A 32 0.517 0.429 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.745 0.404 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.636 1.187 1.502 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.761 -1.811 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.062 -1.653 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.849 -0.762 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.930 0.121 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.157 -1.926 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.898 -0.169 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.564 -1.232 -0.104 1.00 0.00 H new ATOM 452 N ARG A 33 1.157 2.378 2.464 1.00 0.00 N ATOM 453 CA ARG A 33 1.767 3.454 3.226 1.00 0.00 C ATOM 454 C ARG A 33 0.711 4.486 3.628 1.00 0.00 C ATOM 455 O ARG A 33 -0.358 4.553 3.022 1.00 0.00 O ATOM 456 CB ARG A 33 2.865 4.148 2.417 1.00 0.00 C ATOM 457 CG ARG A 33 4.031 3.195 2.146 1.00 0.00 C ATOM 458 CD ARG A 33 5.323 3.713 2.782 1.00 0.00 C ATOM 459 NE ARG A 33 6.176 2.576 3.194 1.00 0.00 N ATOM 460 CZ ARG A 33 7.331 2.706 3.861 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.778 3.924 4.195 1.00 0.00 N ATOM 462 NH2 ARG A 33 8.039 1.618 4.193 1.00 0.00 N ATOM 0 H ARG A 33 1.042 2.572 1.469 1.00 0.00 H new ATOM 0 HA ARG A 33 2.211 3.016 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.455 4.505 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.224 5.023 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.797 2.207 2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.171 3.082 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.860 4.343 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.089 4.334 3.646 1.00 0.00 H new ATOM 0 HE ARG A 33 5.865 1.634 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.239 4.752 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.657 4.023 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.699 0.691 3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.918 1.717 4.701 1.00 0.00 H new ATOM 476 N GLY A 34 1.047 5.264 4.646 1.00 0.00 N ATOM 477 CA GLY A 34 0.140 6.288 5.135 1.00 0.00 C ATOM 478 C GLY A 34 0.052 7.457 4.152 1.00 0.00 C ATOM 479 O GLY A 34 1.021 8.192 3.967 1.00 0.00 O ATOM 0 H GLY A 34 1.934 5.206 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.851 5.859 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.482 6.649 6.105 1.00 0.00 H new ATOM 483 N ASN A 35 -1.120 7.594 3.548 1.00 0.00 N ATOM 484 CA ASN A 35 -1.347 8.661 2.589 1.00 0.00 C ATOM 485 C ASN A 35 -2.527 8.288 1.689 1.00 0.00 C ATOM 486 O ASN A 35 -3.147 7.242 1.874 1.00 0.00 O ATOM 487 CB ASN A 35 -0.121 8.872 1.699 1.00 0.00 C ATOM 488 CG ASN A 35 0.717 10.054 2.191 1.00 0.00 C ATOM 489 OD1 ASN A 35 1.887 9.927 2.514 1.00 0.00 O ATOM 490 ND2 ASN A 35 0.056 11.207 2.231 1.00 0.00 N ATOM 0 H ASN A 35 -1.922 6.983 3.705 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.550 9.577 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.488 7.968 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.439 9.050 0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.528 12.055 2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.923 11.244 1.946 1.00 0.00 H new ATOM 497 N THR A 36 -2.800 9.164 0.733 1.00 0.00 N ATOM 498 CA THR A 36 -3.894 8.940 -0.197 1.00 0.00 C ATOM 499 C THR A 36 -3.636 9.678 -1.512 1.00 0.00 C ATOM 500 O THR A 36 -3.339 10.871 -1.511 1.00 0.00 O ATOM 501 CB THR A 36 -5.194 9.363 0.492 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.295 10.757 0.217 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.099 9.289 2.017 1.00 0.00 C ATOM 0 H THR A 36 -2.283 10.030 0.582 1.00 0.00 H new ATOM 0 HA THR A 36 -3.977 7.886 -0.463 1.00 0.00 H new ATOM 0 HB THR A 36 -6.010 8.728 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.111 11.113 0.626 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.047 9.599 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.877 8.265 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.305 9.950 2.365 1.00 0.00 H new ATOM 511 N PRO A 37 -3.761 8.916 -2.632 1.00 0.00 N ATOM 512 CA PRO A 37 -4.116 7.510 -2.545 1.00 0.00 C ATOM 513 C PRO A 37 -2.928 6.673 -2.067 1.00 0.00 C ATOM 514 O PRO A 37 -1.806 6.855 -2.539 1.00 0.00 O ATOM 515 CB PRO A 37 -4.584 7.135 -3.942 1.00 0.00 C ATOM 516 CG PRO A 37 -4.038 8.211 -4.867 1.00 0.00 C ATOM 517 CD PRO A 37 -3.570 9.372 -4.006 1.00 0.00 C ATOM 0 HA PRO A 37 -4.900 7.319 -1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.214 6.150 -4.227 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.672 7.093 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.213 7.820 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.807 8.540 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.525 9.614 -4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.149 10.273 -4.208 1.00 0.00 H new ATOM 525 N VAL A 38 -3.214 5.773 -1.138 1.00 0.00 N ATOM 526 CA VAL A 38 -2.183 4.907 -0.592 1.00 0.00 C ATOM 527 C VAL A 38 -1.449 4.209 -1.738 1.00 0.00 C ATOM 528 O VAL A 38 -2.065 3.820 -2.729 1.00 0.00 O ATOM 529 CB VAL A 38 -2.799 3.927 0.409 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.252 4.651 1.678 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.957 3.153 -0.224 1.00 0.00 C ATOM 0 H VAL A 38 -4.145 5.625 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.445 5.491 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.030 3.208 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.686 3.931 2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.395 5.135 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.998 5.403 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.377 2.464 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.728 3.852 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.592 2.591 -1.084 1.00 0.00 H new ATOM 541 N GLN A 39 -0.142 4.072 -1.565 1.00 0.00 N ATOM 542 CA GLN A 39 0.682 3.428 -2.573 1.00 0.00 C ATOM 543 C GLN A 39 0.800 1.930 -2.285 1.00 0.00 C ATOM 544 O GLN A 39 0.167 1.421 -1.361 1.00 0.00 O ATOM 545 CB GLN A 39 2.064 4.081 -2.651 1.00 0.00 C ATOM 546 CG GLN A 39 1.976 5.477 -3.272 1.00 0.00 C ATOM 547 CD GLN A 39 3.337 5.925 -3.808 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.806 5.474 -4.840 1.00 0.00 O ATOM 549 NE2 GLN A 39 3.943 6.836 -3.051 1.00 0.00 N ATOM 0 H GLN A 39 0.366 4.396 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 39 0.200 3.555 -3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.495 4.150 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.732 3.457 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.246 5.474 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.622 6.189 -2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.494 7.171 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.856 7.199 -3.323 1.00 0.00 H new ATOM 558 N VAL A 40 1.613 1.266 -3.093 1.00 0.00 N ATOM 559 CA VAL A 40 1.822 -0.163 -2.936 1.00 0.00 C ATOM 560 C VAL A 40 3.316 -0.440 -2.760 1.00 0.00 C ATOM 561 O VAL A 40 4.120 -0.103 -3.629 1.00 0.00 O ATOM 562 CB VAL A 40 1.209 -0.914 -4.120 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.722 -2.354 -4.180 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.319 -0.878 -4.061 1.00 0.00 C ATOM 0 H VAL A 40 2.135 1.692 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 40 1.317 -0.527 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 40 1.520 -0.409 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.271 -2.866 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.806 -2.350 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.455 -2.874 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.729 -1.419 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.659 -1.346 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.660 0.157 -4.090 1.00 0.00 H new ATOM 574 N HIS A 41 3.643 -1.052 -1.632 1.00 0.00 N ATOM 575 CA HIS A 41 5.027 -1.378 -1.331 1.00 0.00 C ATOM 576 C HIS A 41 5.219 -2.895 -1.380 1.00 0.00 C ATOM 577 O HIS A 41 5.486 -3.523 -0.357 1.00 0.00 O ATOM 578 CB HIS A 41 5.450 -0.769 0.007 1.00 0.00 C ATOM 579 CG HIS A 41 6.930 -0.488 0.113 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.539 0.578 -0.526 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.916 -1.144 0.791 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.832 0.554 -0.240 1.00 0.00 C ATOM 583 NE2 HIS A 41 9.064 -0.514 0.576 1.00 0.00 N ATOM 0 H HIS A 41 2.973 -1.331 -0.915 1.00 0.00 H new ATOM 0 HA HIS A 41 5.680 -0.940 -2.086 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.902 0.161 0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.161 -1.446 0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.784 -2.026 1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.573 1.257 -0.591 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.970 -0.784 0.958 1.00 0.00 H new ATOM 591 N PHE A 42 5.075 -3.439 -2.579 1.00 0.00 N ATOM 592 CA PHE A 42 5.229 -4.871 -2.774 1.00 0.00 C ATOM 593 C PHE A 42 6.337 -5.430 -1.879 1.00 0.00 C ATOM 594 O PHE A 42 7.362 -4.783 -1.677 1.00 0.00 O ATOM 595 CB PHE A 42 5.617 -5.083 -4.239 1.00 0.00 C ATOM 596 CG PHE A 42 4.446 -5.475 -5.143 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.532 -6.386 -4.714 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.320 -4.912 -6.374 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.445 -6.749 -5.553 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.233 -5.275 -7.213 1.00 0.00 C ATOM 601 CZ PHE A 42 2.319 -6.186 -6.785 1.00 0.00 C ATOM 0 H PHE A 42 4.853 -2.914 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 42 4.301 -5.383 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.067 -4.167 -4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.380 -5.859 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.633 -6.833 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.046 -4.189 -6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.718 -7.472 -5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.133 -4.827 -8.191 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.493 -6.463 -7.423 1.00 0.00 H new ATOM 611 N LEU A 43 6.091 -6.627 -1.367 1.00 0.00 N ATOM 612 CA LEU A 43 7.055 -7.282 -0.499 1.00 0.00 C ATOM 613 C LEU A 43 7.527 -8.581 -1.154 1.00 0.00 C ATOM 614 O LEU A 43 8.706 -8.924 -1.083 1.00 0.00 O ATOM 615 CB LEU A 43 6.469 -7.476 0.901 1.00 0.00 C ATOM 616 CG LEU A 43 6.147 -6.197 1.677 1.00 0.00 C ATOM 617 CD1 LEU A 43 5.264 -6.499 2.889 1.00 0.00 C ATOM 618 CD2 LEU A 43 7.427 -5.458 2.071 1.00 0.00 C ATOM 0 H LEU A 43 5.238 -7.160 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 43 7.936 -6.654 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.555 -8.063 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.172 -8.067 1.489 1.00 0.00 H new ATOM 0 HG LEU A 43 5.581 -5.534 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.050 -5.573 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.329 -6.950 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.783 -7.190 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.170 -4.553 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.041 -6.103 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.984 -5.191 1.173 1.00 0.00 H new ATOM 630 N ASP A 44 6.581 -9.269 -1.777 1.00 0.00 N ATOM 631 CA ASP A 44 6.885 -10.523 -2.445 1.00 0.00 C ATOM 632 C ASP A 44 6.651 -10.365 -3.948 1.00 0.00 C ATOM 633 O ASP A 44 5.521 -10.154 -4.386 1.00 0.00 O ATOM 634 CB ASP A 44 5.979 -11.649 -1.941 1.00 0.00 C ATOM 635 CG ASP A 44 6.213 -12.066 -0.488 1.00 0.00 C ATOM 636 OD1 ASP A 44 5.978 -11.211 0.393 1.00 0.00 O ATOM 637 OD2 ASP A 44 6.622 -13.230 -0.290 1.00 0.00 O ATOM 0 H ASP A 44 5.604 -8.982 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 44 7.924 -10.774 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.941 -11.336 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.118 -12.521 -2.580 1.00 0.00 H new ATOM 642 N PRO A 45 7.766 -10.478 -4.719 1.00 0.00 N ATOM 643 CA PRO A 45 7.694 -10.350 -6.164 1.00 0.00 C ATOM 644 C PRO A 45 7.089 -11.605 -6.796 1.00 0.00 C ATOM 645 O PRO A 45 6.970 -11.694 -8.017 1.00 0.00 O ATOM 646 CB PRO A 45 9.124 -10.091 -6.608 1.00 0.00 C ATOM 647 CG PRO A 45 10.007 -10.544 -5.457 1.00 0.00 C ATOM 648 CD PRO A 45 9.121 -10.728 -4.235 1.00 0.00 C ATOM 0 HA PRO A 45 7.040 -9.539 -6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.356 -10.643 -7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.280 -9.035 -6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.511 -11.477 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.784 -9.806 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.216 -11.733 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.392 -10.033 -3.441 1.00 0.00 H new ATOM 656 N HIS A 46 6.723 -12.544 -5.936 1.00 0.00 N ATOM 657 CA HIS A 46 6.133 -13.790 -6.395 1.00 0.00 C ATOM 658 C HIS A 46 4.883 -14.101 -5.569 1.00 0.00 C ATOM 659 O HIS A 46 4.684 -15.237 -5.141 1.00 0.00 O ATOM 660 CB HIS A 46 7.162 -14.922 -6.362 1.00 0.00 C ATOM 661 CG HIS A 46 8.556 -14.497 -6.758 1.00 0.00 C ATOM 662 ND1 HIS A 46 9.592 -14.384 -5.847 1.00 0.00 N ATOM 663 CD2 HIS A 46 9.073 -14.160 -7.974 1.00 0.00 C ATOM 664 CE1 HIS A 46 10.679 -13.995 -6.497 1.00 0.00 C ATOM 665 NE2 HIS A 46 10.355 -13.857 -7.815 1.00 0.00 N ATOM 0 H HIS A 46 6.824 -12.467 -4.924 1.00 0.00 H new ATOM 0 HA HIS A 46 5.823 -13.689 -7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.193 -15.342 -5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.833 -15.718 -7.030 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.531 -14.143 -8.908 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.651 -13.818 -6.060 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.993 -13.568 -8.556 1.00 0.00 H new ATOM 673 N CYS A 47 4.073 -13.072 -5.371 1.00 0.00 N ATOM 674 CA CYS A 47 2.847 -13.221 -4.605 1.00 0.00 C ATOM 675 C CYS A 47 1.662 -13.092 -5.564 1.00 0.00 C ATOM 676 O CYS A 47 1.840 -12.762 -6.736 1.00 0.00 O ATOM 677 CB CYS A 47 2.769 -12.208 -3.461 1.00 0.00 C ATOM 678 SG CYS A 47 2.784 -13.078 -1.852 1.00 0.00 S ATOM 0 H CYS A 47 4.241 -12.131 -5.728 1.00 0.00 H new ATOM 0 HA CYS A 47 2.826 -14.204 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.610 -11.517 -3.518 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.861 -11.612 -3.553 1.00 0.00 H new ATOM 0 HG CYS A 47 1.807 -12.642 -1.114 1.00 0.00 H new ATOM 684 N SER A 48 0.479 -13.358 -5.031 1.00 0.00 N ATOM 685 CA SER A 48 -0.735 -13.275 -5.825 1.00 0.00 C ATOM 686 C SER A 48 -0.823 -11.908 -6.506 1.00 0.00 C ATOM 687 O SER A 48 -0.734 -11.813 -7.729 1.00 0.00 O ATOM 688 CB SER A 48 -1.975 -13.519 -4.963 1.00 0.00 C ATOM 689 OG SER A 48 -2.079 -14.879 -4.550 1.00 0.00 O ATOM 0 H SER A 48 0.335 -13.631 -4.059 1.00 0.00 H new ATOM 0 HA SER A 48 -0.698 -14.052 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.938 -12.875 -4.084 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.867 -13.241 -5.524 1.00 0.00 H new ATOM 0 HG SER A 48 -2.882 -14.993 -4.001 1.00 0.00 H new ATOM 695 N ALA A 49 -0.997 -10.883 -5.685 1.00 0.00 N ATOM 696 CA ALA A 49 -1.098 -9.526 -6.193 1.00 0.00 C ATOM 697 C ALA A 49 -0.087 -9.333 -7.325 1.00 0.00 C ATOM 698 O ALA A 49 -0.470 -9.137 -8.477 1.00 0.00 O ATOM 699 CB ALA A 49 -0.886 -8.534 -5.047 1.00 0.00 C ATOM 0 H ALA A 49 -1.071 -10.965 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.091 -9.343 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.962 -7.516 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.647 -8.693 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.102 -8.686 -4.612 1.00 0.00 H new ATOM 705 N SER A 50 1.184 -9.395 -6.957 1.00 0.00 N ATOM 706 CA SER A 50 2.253 -9.230 -7.927 1.00 0.00 C ATOM 707 C SER A 50 1.944 -10.038 -9.189 1.00 0.00 C ATOM 708 O SER A 50 1.868 -9.482 -10.283 1.00 0.00 O ATOM 709 CB SER A 50 3.600 -9.656 -7.340 1.00 0.00 C ATOM 710 OG SER A 50 4.692 -8.994 -7.974 1.00 0.00 O ATOM 0 H SER A 50 1.498 -9.557 -6.000 1.00 0.00 H new ATOM 0 HA SER A 50 2.319 -8.174 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.615 -9.439 -6.272 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.718 -10.734 -7.448 1.00 0.00 H new ATOM 0 HG SER A 50 5.431 -9.626 -8.096 1.00 0.00 H new ATOM 716 N LEU A 51 1.774 -11.337 -8.994 1.00 0.00 N ATOM 717 CA LEU A 51 1.475 -12.228 -10.102 1.00 0.00 C ATOM 718 C LEU A 51 0.285 -11.675 -10.888 1.00 0.00 C ATOM 719 O LEU A 51 0.292 -11.679 -12.118 1.00 0.00 O ATOM 720 CB LEU A 51 1.270 -13.658 -9.600 1.00 0.00 C ATOM 721 CG LEU A 51 2.482 -14.318 -8.939 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.044 -15.371 -7.919 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.433 -14.896 -9.988 1.00 0.00 C ATOM 0 H LEU A 51 1.838 -11.794 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 51 2.318 -12.275 -10.791 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.447 -13.656 -8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.959 -14.276 -10.442 1.00 0.00 H new ATOM 0 HG LEU A 51 3.033 -13.552 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.924 -15.825 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.438 -14.899 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.457 -16.141 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.285 -15.359 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.908 -15.645 -10.581 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.784 -14.097 -10.641 1.00 0.00 H new ATOM 735 N ALA A 52 -0.711 -11.213 -10.145 1.00 0.00 N ATOM 736 CA ALA A 52 -1.906 -10.658 -10.757 1.00 0.00 C ATOM 737 C ALA A 52 -1.504 -9.760 -11.929 1.00 0.00 C ATOM 738 O ALA A 52 -1.776 -10.082 -13.084 1.00 0.00 O ATOM 739 CB ALA A 52 -2.720 -9.908 -9.700 1.00 0.00 C ATOM 0 H ALA A 52 -0.714 -11.212 -9.125 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.539 -11.452 -11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.617 -9.492 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.006 -10.596 -8.905 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.118 -9.101 -9.282 1.00 0.00 H new ATOM 745 N GLY A 53 -0.863 -8.651 -11.590 1.00 0.00 N ATOM 746 CA GLY A 53 -0.421 -7.704 -12.599 1.00 0.00 C ATOM 747 C GLY A 53 -0.312 -6.293 -12.017 1.00 0.00 C ATOM 748 O GLY A 53 -0.749 -5.325 -12.639 1.00 0.00 O ATOM 0 H GLY A 53 -0.639 -8.387 -10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.546 -8.014 -12.995 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.122 -7.704 -13.434 1.00 0.00 H new ATOM 752 N ALA A 54 0.273 -6.220 -10.831 1.00 0.00 N ATOM 753 CA ALA A 54 0.445 -4.944 -10.158 1.00 0.00 C ATOM 754 C ALA A 54 1.913 -4.522 -10.241 1.00 0.00 C ATOM 755 O ALA A 54 2.744 -5.255 -10.775 1.00 0.00 O ATOM 756 CB ALA A 54 -0.048 -5.057 -8.714 1.00 0.00 C ATOM 0 H ALA A 54 0.634 -7.024 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.149 -4.171 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.081 -4.099 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.103 -5.330 -8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.526 -5.822 -8.192 1.00 0.00 H new ATOM 762 N LYS A 55 2.188 -3.342 -9.704 1.00 0.00 N ATOM 763 CA LYS A 55 3.542 -2.814 -9.711 1.00 0.00 C ATOM 764 C LYS A 55 3.838 -2.165 -8.358 1.00 0.00 C ATOM 765 O LYS A 55 2.967 -2.102 -7.491 1.00 0.00 O ATOM 766 CB LYS A 55 3.745 -1.875 -10.901 1.00 0.00 C ATOM 767 CG LYS A 55 4.070 -2.662 -12.172 1.00 0.00 C ATOM 768 CD LYS A 55 5.435 -2.257 -12.733 1.00 0.00 C ATOM 769 CE LYS A 55 5.328 -1.872 -14.210 1.00 0.00 C ATOM 770 NZ LYS A 55 5.592 -0.427 -14.390 1.00 0.00 N ATOM 0 H LYS A 55 1.496 -2.737 -9.261 1.00 0.00 H new ATOM 0 HA LYS A 55 4.264 -3.619 -9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.845 -1.281 -11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.554 -1.177 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.065 -3.730 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.298 -2.485 -12.921 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.832 -1.417 -12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.139 -3.082 -12.618 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.040 -2.453 -14.796 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.334 -2.115 -14.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.515 -0.183 -15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.897 0.123 -13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.550 -0.204 -14.052 1.00 0.00 H new ATOM 784 N GLU A 56 5.070 -1.698 -8.218 1.00 0.00 N ATOM 785 CA GLU A 56 5.492 -1.056 -6.985 1.00 0.00 C ATOM 786 C GLU A 56 5.200 0.445 -7.041 1.00 0.00 C ATOM 787 O GLU A 56 5.698 1.146 -7.921 1.00 0.00 O ATOM 788 CB GLU A 56 6.975 -1.316 -6.711 1.00 0.00 C ATOM 789 CG GLU A 56 7.392 -0.735 -5.358 1.00 0.00 C ATOM 790 CD GLU A 56 8.815 -0.174 -5.418 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.747 -1.001 -5.516 1.00 0.00 O ATOM 792 OE2 GLU A 56 8.937 1.069 -5.364 1.00 0.00 O ATOM 0 H GLU A 56 5.790 -1.752 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 56 4.923 -1.487 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.169 -2.389 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.578 -0.872 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.698 0.054 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.334 -1.509 -4.592 1.00 0.00 H new ATOM 799 N GLY A 57 4.393 0.894 -6.091 1.00 0.00 N ATOM 800 CA GLY A 57 4.028 2.299 -6.022 1.00 0.00 C ATOM 801 C GLY A 57 2.556 2.502 -6.388 1.00 0.00 C ATOM 802 O GLY A 57 2.001 3.577 -6.168 1.00 0.00 O ATOM 0 H GLY A 57 3.982 0.310 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.212 2.677 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.658 2.876 -6.699 1.00 0.00 H new ATOM 806 N ASP A 58 1.967 1.452 -6.942 1.00 0.00 N ATOM 807 CA ASP A 58 0.571 1.502 -7.341 1.00 0.00 C ATOM 808 C ASP A 58 -0.230 2.268 -6.285 1.00 0.00 C ATOM 809 O ASP A 58 -0.022 2.082 -5.087 1.00 0.00 O ATOM 810 CB ASP A 58 -0.020 0.095 -7.454 1.00 0.00 C ATOM 811 CG ASP A 58 0.510 -0.736 -8.624 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.328 -0.182 -9.389 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.085 -1.907 -8.726 1.00 0.00 O ATOM 0 H ASP A 58 2.431 0.562 -7.124 1.00 0.00 H new ATOM 0 HA ASP A 58 0.515 1.996 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.179 -0.442 -6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.103 0.178 -7.548 1.00 0.00 H new ATOM 818 N TYR A 59 -1.129 3.112 -6.769 1.00 0.00 N ATOM 819 CA TYR A 59 -1.962 3.906 -5.882 1.00 0.00 C ATOM 820 C TYR A 59 -3.421 3.450 -5.945 1.00 0.00 C ATOM 821 O TYR A 59 -4.155 3.829 -6.857 1.00 0.00 O ATOM 822 CB TYR A 59 -1.868 5.346 -6.392 1.00 0.00 C ATOM 823 CG TYR A 59 -0.458 5.938 -6.328 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.521 5.482 -7.187 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.166 6.927 -5.411 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.847 6.039 -7.126 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.160 7.484 -5.350 1.00 0.00 C ATOM 828 CZ TYR A 59 2.102 7.012 -6.211 1.00 0.00 C ATOM 829 OH TYR A 59 3.355 7.538 -6.154 1.00 0.00 O ATOM 0 H TYR A 59 -1.299 3.263 -7.763 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.628 3.805 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.218 5.379 -7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.541 5.973 -5.807 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.293 4.708 -7.905 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.933 7.283 -4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.623 5.692 -7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.402 8.259 -4.637 1.00 0.00 H new ATOM 0 HH TYR A 59 4.006 6.818 -6.018 1.00 0.00 H new ATOM 839 N ILE A 60 -3.799 2.643 -4.965 1.00 0.00 N ATOM 840 CA ILE A 60 -5.157 2.131 -4.898 1.00 0.00 C ATOM 841 C ILE A 60 -6.143 3.291 -5.050 1.00 0.00 C ATOM 842 O ILE A 60 -6.169 4.200 -4.222 1.00 0.00 O ATOM 843 CB ILE A 60 -5.359 1.315 -3.620 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.453 0.082 -3.607 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.832 0.945 -3.432 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.379 -0.529 -2.206 1.00 0.00 C ATOM 0 H ILE A 60 -3.188 2.331 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.346 1.442 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.072 1.935 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.831 -0.659 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.453 0.358 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.948 0.365 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.430 1.854 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.169 0.352 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.729 -1.404 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.978 0.207 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.378 -0.826 -1.885 1.00 0.00 H new ATOM 858 N VAL A 61 -6.930 3.221 -6.113 1.00 0.00 N ATOM 859 CA VAL A 61 -7.915 4.255 -6.384 1.00 0.00 C ATOM 860 C VAL A 61 -9.314 3.708 -6.093 1.00 0.00 C ATOM 861 O VAL A 61 -10.227 4.468 -5.771 1.00 0.00 O ATOM 862 CB VAL A 61 -7.758 4.764 -7.818 1.00 0.00 C ATOM 863 CG1 VAL A 61 -8.499 3.861 -8.805 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.232 6.214 -7.939 1.00 0.00 C ATOM 0 H VAL A 61 -6.906 2.465 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.759 5.113 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.698 4.735 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.371 4.246 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.095 2.850 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.560 3.843 -8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.110 6.552 -8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.283 6.278 -7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.641 6.847 -7.277 1.00 0.00 H new ATOM 874 N SER A 62 -9.439 2.395 -6.218 1.00 0.00 N ATOM 875 CA SER A 62 -10.712 1.738 -5.973 1.00 0.00 C ATOM 876 C SER A 62 -10.509 0.225 -5.874 1.00 0.00 C ATOM 877 O SER A 62 -9.492 -0.299 -6.325 1.00 0.00 O ATOM 878 CB SER A 62 -11.723 2.068 -7.073 1.00 0.00 C ATOM 879 OG SER A 62 -12.061 3.452 -7.090 1.00 0.00 O ATOM 0 H SER A 62 -8.680 1.768 -6.486 1.00 0.00 H new ATOM 0 HA SER A 62 -11.111 2.107 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.311 1.784 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.626 1.476 -6.925 1.00 0.00 H new ATOM 0 HG SER A 62 -11.780 3.868 -6.248 1.00 0.00 H new ATOM 885 N ILE A 63 -11.494 -0.435 -5.282 1.00 0.00 N ATOM 886 CA ILE A 63 -11.436 -1.878 -5.119 1.00 0.00 C ATOM 887 C ILE A 63 -12.844 -2.459 -5.260 1.00 0.00 C ATOM 888 O ILE A 63 -13.714 -2.199 -4.430 1.00 0.00 O ATOM 889 CB ILE A 63 -10.750 -2.241 -3.801 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.345 -1.640 -3.730 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.738 -3.756 -3.588 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.675 -1.967 -2.394 1.00 0.00 C ATOM 0 H ILE A 63 -12.337 0.003 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.826 -2.326 -5.903 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.327 -1.806 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.739 -2.027 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.401 -0.559 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.245 -3.987 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.762 -4.128 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.199 -4.234 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.678 -1.528 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.271 -1.558 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.598 -3.048 -2.281 1.00 0.00 H new ATOM 904 N GLN A 64 -13.026 -3.236 -6.318 1.00 0.00 N ATOM 905 CA GLN A 64 -14.314 -3.856 -6.579 1.00 0.00 C ATOM 906 C GLN A 64 -15.338 -2.799 -6.994 1.00 0.00 C ATOM 907 O GLN A 64 -16.521 -3.100 -7.144 1.00 0.00 O ATOM 908 CB GLN A 64 -14.800 -4.642 -5.360 1.00 0.00 C ATOM 909 CG GLN A 64 -14.626 -6.148 -5.573 1.00 0.00 C ATOM 910 CD GLN A 64 -15.982 -6.846 -5.687 1.00 0.00 C ATOM 911 OE1 GLN A 64 -17.026 -6.220 -5.778 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.910 -8.174 -5.678 1.00 0.00 N ATOM 0 H GLN A 64 -12.303 -3.450 -7.005 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.196 -4.561 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.244 -4.330 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.850 -4.417 -5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.044 -6.326 -6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.063 -6.574 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.004 -8.635 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.761 -8.731 -5.750 1.00 0.00 H new ATOM 921 N GLY A 65 -14.846 -1.581 -7.169 1.00 0.00 N ATOM 922 CA GLY A 65 -15.705 -0.477 -7.564 1.00 0.00 C ATOM 923 C GLY A 65 -15.919 0.494 -6.401 1.00 0.00 C ATOM 924 O GLY A 65 -16.689 1.447 -6.516 1.00 0.00 O ATOM 0 H GLY A 65 -13.864 -1.334 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.259 0.052 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.667 -0.863 -7.902 1.00 0.00 H new ATOM 928 N VAL A 66 -15.223 0.220 -5.307 1.00 0.00 N ATOM 929 CA VAL A 66 -15.328 1.058 -4.124 1.00 0.00 C ATOM 930 C VAL A 66 -14.357 2.233 -4.250 1.00 0.00 C ATOM 931 O VAL A 66 -13.326 2.124 -4.913 1.00 0.00 O ATOM 932 CB VAL A 66 -15.092 0.219 -2.866 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.134 1.091 -1.610 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.102 -0.926 -2.773 1.00 0.00 C ATOM 0 H VAL A 66 -14.584 -0.570 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.332 1.474 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.096 -0.218 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.963 0.470 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.359 1.855 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.110 1.570 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.912 -1.506 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.112 -0.518 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.003 -1.571 -3.646 1.00 0.00 H new ATOM 944 N ASP A 67 -14.720 3.331 -3.602 1.00 0.00 N ATOM 945 CA ASP A 67 -13.893 4.526 -3.633 1.00 0.00 C ATOM 946 C ASP A 67 -12.741 4.369 -2.639 1.00 0.00 C ATOM 947 O ASP A 67 -12.963 4.293 -1.432 1.00 0.00 O ATOM 948 CB ASP A 67 -14.699 5.763 -3.232 1.00 0.00 C ATOM 949 CG ASP A 67 -14.573 6.953 -4.185 1.00 0.00 C ATOM 950 OD1 ASP A 67 -14.400 6.695 -5.396 1.00 0.00 O ATOM 951 OD2 ASP A 67 -14.652 8.095 -3.681 1.00 0.00 O ATOM 0 H ASP A 67 -15.575 3.418 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.520 4.653 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.750 5.485 -3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.382 6.078 -2.238 1.00 0.00 H new ATOM 956 N CYS A 68 -11.534 4.326 -3.184 1.00 0.00 N ATOM 957 CA CYS A 68 -10.346 4.180 -2.360 1.00 0.00 C ATOM 958 C CYS A 68 -9.325 5.232 -2.798 1.00 0.00 C ATOM 959 O CYS A 68 -8.198 4.896 -3.159 1.00 0.00 O ATOM 960 CB CYS A 68 -9.774 2.763 -2.438 1.00 0.00 C ATOM 961 SG CYS A 68 -10.846 1.604 -1.512 1.00 0.00 S ATOM 0 H CYS A 68 -11.353 4.390 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.605 4.340 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.699 2.449 -3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.765 2.746 -2.026 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.353 0.403 -1.586 1.00 0.00 H new ATOM 967 N LYS A 69 -9.756 6.484 -2.752 1.00 0.00 N ATOM 968 CA LYS A 69 -8.893 7.587 -3.140 1.00 0.00 C ATOM 969 C LYS A 69 -8.535 8.408 -1.900 1.00 0.00 C ATOM 970 O LYS A 69 -7.462 9.006 -1.837 1.00 0.00 O ATOM 971 CB LYS A 69 -9.543 8.408 -4.255 1.00 0.00 C ATOM 972 CG LYS A 69 -8.555 8.664 -5.395 1.00 0.00 C ATOM 973 CD LYS A 69 -8.638 10.114 -5.878 1.00 0.00 C ATOM 974 CE LYS A 69 -9.723 10.275 -6.944 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.130 10.721 -8.224 1.00 0.00 N ATOM 0 H LYS A 69 -10.691 6.759 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.958 7.212 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.417 7.880 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.895 9.358 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.541 8.447 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.767 7.988 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.852 10.770 -5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.675 10.421 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.243 9.328 -7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.466 10.999 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.880 10.825 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.654 11.635 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.438 10.016 -8.550 1.00 0.00 H new ATOM 989 N TRP A 70 -9.453 8.411 -0.946 1.00 0.00 N ATOM 990 CA TRP A 70 -9.247 9.149 0.289 1.00 0.00 C ATOM 991 C TRP A 70 -8.984 8.138 1.406 1.00 0.00 C ATOM 992 O TRP A 70 -8.213 8.410 2.325 1.00 0.00 O ATOM 993 CB TRP A 70 -10.434 10.069 0.582 1.00 0.00 C ATOM 994 CG TRP A 70 -10.839 10.958 -0.595 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.709 10.681 -1.576 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.352 12.286 -0.878 1.00 0.00 C ATOM 997 NE1 TRP A 70 -11.817 11.730 -2.467 1.00 0.00 N ATOM 998 CE2 TRP A 70 -10.966 12.737 -2.028 1.00 0.00 C ATOM 999 CE3 TRP A 70 -9.422 13.081 -0.184 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -10.718 13.997 -2.586 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -9.186 14.338 -0.754 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -9.796 14.806 -1.912 1.00 0.00 C ATOM 0 H TRP A 70 -10.342 7.914 -1.003 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.382 9.807 0.205 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.289 9.460 0.874 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.188 10.702 1.434 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.257 9.754 -1.659 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.412 11.760 -3.295 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.929 12.748 0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.212 14.327 -3.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.481 14.989 -0.259 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -9.560 15.790 -2.290 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.640 6.993 1.291 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.486 5.939 2.280 1.00 0.00 C ATOM 1015 C LEU A 71 -8.013 5.831 2.679 1.00 0.00 C ATOM 1016 O LEU A 71 -7.126 6.038 1.853 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.081 4.628 1.762 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.578 4.649 1.447 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.151 3.231 1.414 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.332 5.550 2.426 1.00 0.00 C ATOM 0 H LEU A 71 -10.280 6.772 0.528 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.044 6.180 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.544 4.340 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.897 3.851 2.503 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.712 5.073 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.216 3.274 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.640 2.650 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.005 2.757 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.394 5.547 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.194 5.179 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.946 6.567 2.356 1.00 0.00 H new ATOM 1032 N THR A 72 -7.799 5.508 3.946 1.00 0.00 N ATOM 1033 CA THR A 72 -6.449 5.370 4.465 1.00 0.00 C ATOM 1034 C THR A 72 -5.963 3.927 4.310 1.00 0.00 C ATOM 1035 O THR A 72 -6.630 3.108 3.681 1.00 0.00 O ATOM 1036 CB THR A 72 -6.447 5.859 5.914 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.270 4.920 6.599 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.181 7.191 6.084 1.00 0.00 C ATOM 0 H THR A 72 -8.538 5.338 4.628 1.00 0.00 H new ATOM 0 HA THR A 72 -5.744 5.980 3.900 1.00 0.00 H new ATOM 0 HB THR A 72 -5.419 5.965 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.733 4.436 7.261 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.150 7.493 7.131 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.698 7.953 5.472 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.219 7.077 5.770 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.804 3.661 4.895 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.221 2.332 4.830 1.00 0.00 C ATOM 1048 C VAL A 73 -5.165 1.332 5.500 1.00 0.00 C ATOM 1049 O VAL A 73 -5.425 0.259 4.959 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.822 2.343 5.451 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.385 0.930 5.843 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.807 2.988 4.505 1.00 0.00 C ATOM 0 H VAL A 73 -4.253 4.343 5.416 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.099 2.019 3.793 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.863 2.945 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.388 0.966 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.087 0.521 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.369 0.295 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.821 2.983 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.771 2.425 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.105 4.016 4.298 1.00 0.00 H new ATOM 1062 N SER A 74 -5.652 1.720 6.670 1.00 0.00 N ATOM 1063 CA SER A 74 -6.562 0.871 7.420 1.00 0.00 C ATOM 1064 C SER A 74 -7.832 0.618 6.607 1.00 0.00 C ATOM 1065 O SER A 74 -8.122 -0.519 6.238 1.00 0.00 O ATOM 1066 CB SER A 74 -6.912 1.498 8.771 1.00 0.00 C ATOM 1067 OG SER A 74 -7.390 2.834 8.632 1.00 0.00 O ATOM 0 H SER A 74 -5.434 2.611 7.117 1.00 0.00 H new ATOM 0 HA SER A 74 -6.065 -0.080 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.670 0.891 9.267 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.031 1.493 9.412 1.00 0.00 H new ATOM 0 HG SER A 74 -7.604 3.199 9.516 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.557 1.697 6.350 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.791 1.606 5.587 1.00 0.00 C ATOM 1075 C GLU A 75 -9.627 0.619 4.430 1.00 0.00 C ATOM 1076 O GLU A 75 -10.312 -0.402 4.378 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.222 2.982 5.077 1.00 0.00 C ATOM 1078 CG GLU A 75 -10.810 3.827 6.209 1.00 0.00 C ATOM 1079 CD GLU A 75 -11.158 5.234 5.719 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.203 5.991 5.440 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -12.372 5.522 5.635 1.00 0.00 O ATOM 0 H GLU A 75 -8.314 2.639 6.657 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.577 1.236 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.366 3.497 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.961 2.865 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.704 3.343 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.095 3.890 7.029 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.715 0.957 3.530 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.453 0.113 2.376 1.00 0.00 C ATOM 1090 C VAL A 76 -8.211 -1.323 2.845 1.00 0.00 C ATOM 1091 O VAL A 76 -8.958 -2.232 2.486 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.287 0.682 1.566 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.835 -0.305 0.489 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.655 2.034 0.951 1.00 0.00 C ATOM 0 H VAL A 76 -8.148 1.804 3.577 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.316 0.097 1.710 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.451 0.840 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.005 0.124 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.513 -1.234 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.664 -0.509 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.809 2.417 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.513 1.912 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.906 2.738 1.744 1.00 0.00 H new ATOM 1104 N MET A 77 -7.164 -1.483 3.641 1.00 0.00 N ATOM 1105 CA MET A 77 -6.813 -2.793 4.163 1.00 0.00 C ATOM 1106 C MET A 77 -8.066 -3.583 4.548 1.00 0.00 C ATOM 1107 O MET A 77 -8.231 -4.730 4.137 1.00 0.00 O ATOM 1108 CB MET A 77 -5.915 -2.630 5.391 1.00 0.00 C ATOM 1109 CG MET A 77 -4.439 -2.769 5.013 1.00 0.00 C ATOM 1110 SD MET A 77 -4.136 -4.386 4.320 1.00 0.00 S ATOM 1111 CE MET A 77 -3.224 -3.929 2.855 1.00 0.00 C ATOM 0 H MET A 77 -6.547 -0.727 3.937 1.00 0.00 H new ATOM 0 HA MET A 77 -6.283 -3.343 3.385 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.087 -1.654 5.845 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.175 -3.380 6.138 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.166 -1.998 4.292 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.814 -2.619 5.893 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.577 -4.754 2.557 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.921 -3.705 2.047 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.617 -3.048 3.064 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.916 -2.936 5.332 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.149 -3.564 5.777 1.00 0.00 C ATOM 1123 C LYS A 78 -11.004 -3.919 4.559 1.00 0.00 C ATOM 1124 O LYS A 78 -11.574 -5.007 4.492 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.867 -2.674 6.794 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.576 -3.132 8.225 1.00 0.00 C ATOM 1127 CD LYS A 78 -9.270 -2.525 8.740 1.00 0.00 C ATOM 1128 CE LYS A 78 -9.325 -2.312 10.254 1.00 0.00 C ATOM 1129 NZ LYS A 78 -7.965 -2.089 10.796 1.00 0.00 N ATOM 0 H LYS A 78 -8.776 -1.984 5.670 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.935 -4.496 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.547 -1.640 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.941 -2.700 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.399 -2.841 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.513 -4.220 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.436 -3.182 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.085 -1.573 8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.959 -1.456 10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.776 -3.181 10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.020 -1.946 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.370 -2.918 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.548 -1.246 10.351 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.067 -2.980 3.626 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.843 -3.180 2.414 1.00 0.00 C ATOM 1145 C LEU A 79 -11.283 -4.379 1.647 1.00 0.00 C ATOM 1146 O LEU A 79 -12.015 -5.059 0.929 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.891 -1.891 1.590 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.263 -1.499 1.038 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.668 -0.104 1.517 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.293 -1.613 -0.488 1.00 0.00 C ATOM 0 H LEU A 79 -10.593 -2.079 3.685 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.879 -3.414 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.523 -1.073 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.200 -1.992 0.753 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.001 -2.200 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.647 0.150 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.713 -0.092 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.933 0.625 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.279 -1.329 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.541 -0.950 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.080 -2.641 -0.780 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.989 -4.603 1.825 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.322 -5.709 1.159 1.00 0.00 C ATOM 1164 C LEU A 80 -9.514 -6.985 1.981 1.00 0.00 C ATOM 1165 O LEU A 80 -9.862 -8.032 1.437 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.856 -5.366 0.888 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.529 -4.886 -0.527 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -6.085 -4.391 -0.618 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.827 -5.977 -1.558 1.00 0.00 C ATOM 0 H LEU A 80 -9.385 -4.037 2.421 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.769 -5.890 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.548 -4.593 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.252 -6.249 1.099 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.175 -4.039 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.879 -4.056 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.940 -3.562 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.405 -5.203 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.586 -5.610 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.224 -6.858 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.884 -6.240 -1.514 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.279 -6.855 3.279 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.422 -7.985 4.182 1.00 0.00 C ATOM 1183 C LYS A 81 -10.821 -8.583 4.026 1.00 0.00 C ATOM 1184 O LYS A 81 -10.970 -9.796 3.884 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.086 -7.570 5.615 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.591 -7.736 5.898 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.068 -6.593 6.771 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.541 -6.623 6.856 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.097 -6.477 8.261 1.00 0.00 N ATOM 0 H LYS A 81 -8.991 -5.985 3.727 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.710 -8.770 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.377 -6.532 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.662 -8.174 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.415 -8.689 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.040 -7.762 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.394 -5.638 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.493 -6.671 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.166 -7.561 6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.121 -5.820 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.058 -6.499 8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.439 -5.571 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.482 -7.258 8.830 1.00 0.00 H new ATOM 1203 N SER A 82 -11.812 -7.704 4.059 1.00 0.00 N ATOM 1204 CA SER A 82 -13.195 -8.130 3.923 1.00 0.00 C ATOM 1205 C SER A 82 -13.322 -9.138 2.779 1.00 0.00 C ATOM 1206 O SER A 82 -14.095 -10.091 2.870 1.00 0.00 O ATOM 1207 CB SER A 82 -14.119 -6.934 3.683 1.00 0.00 C ATOM 1208 OG SER A 82 -15.485 -7.327 3.584 1.00 0.00 O ATOM 0 H SER A 82 -11.685 -6.699 4.178 1.00 0.00 H new ATOM 0 HA SER A 82 -13.499 -8.608 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.006 -6.219 4.498 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.821 -6.424 2.767 1.00 0.00 H new ATOM 0 HG SER A 82 -16.043 -6.536 3.432 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.553 -8.893 1.729 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.570 -9.768 0.569 1.00 0.00 C ATOM 1216 C PHE A 83 -11.456 -10.813 0.654 1.00 0.00 C ATOM 1217 O PHE A 83 -10.871 -11.187 -0.362 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.333 -8.886 -0.659 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.333 -7.737 -0.803 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.648 -7.941 -0.522 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -12.907 -6.512 -1.212 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.576 -6.875 -0.655 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -13.835 -5.446 -1.345 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.150 -5.650 -1.064 1.00 0.00 C ATOM 0 H PHE A 83 -11.914 -8.101 1.657 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.522 -10.295 0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.326 -8.473 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.378 -9.507 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -14.986 -8.914 -0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.863 -6.350 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.620 -7.037 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.497 -4.473 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.856 -4.839 -1.166 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.196 -11.257 1.875 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.163 -12.252 2.106 1.00 0.00 C ATOM 1236 C GLY A 84 -10.567 -13.607 1.521 1.00 0.00 C ATOM 1237 O GLY A 84 -11.598 -14.165 1.893 1.00 0.00 O ATOM 0 H GLY A 84 -11.683 -10.946 2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.227 -11.922 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.983 -12.353 3.176 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.733 -14.097 0.616 1.00 0.00 N ATOM 1242 CA GLY A 85 -9.990 -15.376 -0.024 1.00 0.00 C ATOM 1243 C GLY A 85 -11.031 -15.234 -1.136 1.00 0.00 C ATOM 1244 O GLY A 85 -11.675 -16.210 -1.518 1.00 0.00 O ATOM 0 H GLY A 85 -8.878 -13.631 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.063 -15.772 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.341 -16.094 0.718 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.165 -14.009 -1.624 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.117 -13.726 -2.684 1.00 0.00 C ATOM 1250 C GLU A 86 -11.482 -12.819 -3.740 1.00 0.00 C ATOM 1251 O GLU A 86 -10.770 -11.874 -3.404 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.395 -13.101 -2.122 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.112 -14.072 -1.180 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.511 -14.407 -1.700 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.322 -13.461 -1.798 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -15.739 -15.602 -1.987 1.00 0.00 O ATOM 0 H GLU A 86 -10.630 -13.202 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.391 -14.668 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.151 -12.183 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.060 -12.825 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.528 -14.987 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.185 -13.632 -0.185 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.762 -13.139 -4.995 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.227 -12.364 -6.102 1.00 0.00 C ATOM 1265 C GLU A 87 -11.923 -11.004 -6.183 1.00 0.00 C ATOM 1266 O GLU A 87 -13.151 -10.931 -6.193 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.360 -13.128 -7.420 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.057 -13.072 -8.221 1.00 0.00 C ATOM 1269 CD GLU A 87 -9.941 -14.270 -9.165 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -9.394 -15.298 -8.713 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.403 -14.130 -10.318 1.00 0.00 O ATOM 0 H GLU A 87 -12.352 -13.924 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.165 -12.196 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.622 -14.166 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.172 -12.703 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.019 -12.147 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.207 -13.059 -7.539 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.109 -9.961 -6.241 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.631 -8.607 -6.321 1.00 0.00 C ATOM 1280 C VAL A 88 -10.918 -7.856 -7.447 1.00 0.00 C ATOM 1281 O VAL A 88 -9.883 -8.304 -7.939 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.500 -7.914 -4.964 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.111 -8.768 -3.851 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.039 -7.578 -4.658 1.00 0.00 C ATOM 0 H VAL A 88 -10.091 -10.026 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.694 -8.621 -6.562 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.056 -6.978 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.005 -8.252 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.168 -8.933 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.596 -9.728 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.974 -7.086 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.451 -8.495 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.650 -6.913 -5.429 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.499 -6.726 -7.823 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.932 -5.909 -8.882 1.00 0.00 C ATOM 1296 C GLU A 89 -10.342 -4.622 -8.301 1.00 0.00 C ATOM 1297 O GLU A 89 -11.077 -3.693 -7.969 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.977 -5.597 -9.954 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.498 -6.049 -11.335 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.663 -6.113 -12.326 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.492 -7.034 -12.168 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.696 -5.239 -13.219 1.00 0.00 O ATOM 0 H GLU A 89 -12.357 -6.357 -7.413 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.129 -6.472 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.915 -6.096 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.180 -4.526 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.739 -5.359 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.027 -7.029 -11.258 1.00 0.00 H new ATOM 1309 N MET A 90 -9.021 -4.609 -8.196 1.00 0.00 N ATOM 1310 CA MET A 90 -8.325 -3.451 -7.661 1.00 0.00 C ATOM 1311 C MET A 90 -7.918 -2.491 -8.780 1.00 0.00 C ATOM 1312 O MET A 90 -7.481 -2.923 -9.846 1.00 0.00 O ATOM 1313 CB MET A 90 -7.077 -3.911 -6.903 1.00 0.00 C ATOM 1314 CG MET A 90 -6.280 -2.714 -6.382 1.00 0.00 C ATOM 1315 SD MET A 90 -5.342 -3.187 -4.939 1.00 0.00 S ATOM 1316 CE MET A 90 -4.321 -4.472 -5.641 1.00 0.00 C ATOM 0 H MET A 90 -8.415 -5.381 -8.472 1.00 0.00 H new ATOM 0 HA MET A 90 -8.999 -2.925 -6.984 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.368 -4.549 -6.069 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.449 -4.512 -7.560 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.608 -2.348 -7.159 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.957 -1.896 -6.134 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.261 -5.310 -4.946 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.757 -4.810 -6.581 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.320 -4.082 -5.825 1.00 0.00 H new ATOM 1326 N LYS A 91 -8.075 -1.205 -8.499 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.729 -0.180 -9.469 1.00 0.00 C ATOM 1328 C LYS A 91 -6.675 0.751 -8.866 1.00 0.00 C ATOM 1329 O LYS A 91 -6.867 1.288 -7.776 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.986 0.545 -9.953 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.552 -0.118 -11.210 1.00 0.00 C ATOM 1332 CD LYS A 91 -11.020 -0.503 -11.013 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.168 -2.012 -10.804 1.00 0.00 C ATOM 1334 NZ LYS A 91 -11.926 -2.618 -11.921 1.00 0.00 N ATOM 0 H LYS A 91 -8.437 -0.850 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.286 -0.630 -10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.739 0.540 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.750 1.588 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.461 0.562 -12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.968 -1.007 -11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.427 0.029 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.601 -0.194 -11.882 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.183 -2.473 -10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.680 -2.206 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.848 -2.952 -11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.073 -1.908 -12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.391 -3.421 -12.309 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.585 0.915 -9.602 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.501 1.772 -9.153 1.00 0.00 C ATOM 1350 C VAL A 92 -4.067 2.682 -10.304 1.00 0.00 C ATOM 1351 O VAL A 92 -4.021 2.254 -11.456 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.356 0.921 -8.600 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.824 0.082 -7.409 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.753 0.036 -9.692 1.00 0.00 C ATOM 0 H VAL A 92 -5.430 0.469 -10.506 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.834 2.414 -8.338 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.576 1.596 -8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.992 -0.514 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.183 0.741 -6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.631 -0.580 -7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.941 -0.558 -9.272 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.522 -0.628 -10.088 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.366 0.663 -10.495 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.760 3.922 -9.952 1.00 0.00 N ATOM 1365 CA VAL A 93 -3.332 4.897 -10.941 1.00 0.00 C ATOM 1366 C VAL A 93 -1.883 5.300 -10.658 1.00 0.00 C ATOM 1367 O VAL A 93 -1.439 5.272 -9.512 1.00 0.00 O ATOM 1368 CB VAL A 93 -4.293 6.087 -10.953 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.571 5.753 -11.724 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.615 6.546 -9.529 1.00 0.00 C ATOM 0 H VAL A 93 -3.799 4.274 -8.995 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.360 4.465 -11.941 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.799 6.911 -11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.236 6.616 -11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.319 5.498 -12.753 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.070 4.906 -11.252 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.300 7.393 -9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.079 5.727 -8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.695 6.845 -9.026 1.00 0.00 H new ATOM 1380 N SER A 94 -1.186 5.667 -11.724 1.00 0.00 N ATOM 1381 CA SER A 94 0.203 6.075 -11.605 1.00 0.00 C ATOM 1382 C SER A 94 0.283 7.563 -11.257 1.00 0.00 C ATOM 1383 O SER A 94 -0.706 8.285 -11.373 1.00 0.00 O ATOM 1384 CB SER A 94 0.973 5.791 -12.896 1.00 0.00 C ATOM 1385 OG SER A 94 2.374 5.998 -12.739 1.00 0.00 O ATOM 0 H SER A 94 -1.558 5.690 -12.674 1.00 0.00 H new ATOM 0 HA SER A 94 0.662 5.495 -10.804 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.791 4.762 -13.208 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.598 6.436 -13.691 1.00 0.00 H new ATOM 0 HG SER A 94 2.830 5.805 -13.585 1.00 0.00 H new ATOM 1391 N LEU A 95 1.469 7.977 -10.836 1.00 0.00 N ATOM 1392 CA LEU A 95 1.691 9.365 -10.469 1.00 0.00 C ATOM 1393 C LEU A 95 2.681 9.995 -11.451 1.00 0.00 C ATOM 1394 O LEU A 95 3.780 9.478 -11.646 1.00 0.00 O ATOM 1395 CB LEU A 95 2.124 9.471 -9.006 1.00 0.00 C ATOM 1396 CG LEU A 95 1.238 10.334 -8.105 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.807 10.409 -6.687 1.00 0.00 C ATOM 1398 CD2 LEU A 95 1.027 11.722 -8.712 1.00 0.00 C ATOM 0 H LEU A 95 2.287 7.375 -10.741 1.00 0.00 H new ATOM 0 HA LEU A 95 0.763 9.932 -10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.165 8.466 -8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.138 9.871 -8.976 1.00 0.00 H new ATOM 0 HG LEU A 95 0.258 9.861 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.159 11.028 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.864 9.406 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.805 10.846 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.394 12.315 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.991 12.217 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.546 11.624 -9.685 1.00 0.00 H new ATOM 1410 N LEU A 96 2.257 11.102 -12.042 1.00 0.00 N ATOM 1411 CA LEU A 96 3.093 11.808 -12.998 1.00 0.00 C ATOM 1412 C LEU A 96 3.392 13.212 -12.469 1.00 0.00 C ATOM 1413 O LEU A 96 2.476 13.960 -12.131 1.00 0.00 O ATOM 1414 CB LEU A 96 2.446 11.798 -14.385 1.00 0.00 C ATOM 1415 CG LEU A 96 1.674 10.531 -14.756 1.00 0.00 C ATOM 1416 CD1 LEU A 96 2.376 9.283 -14.217 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.220 10.618 -14.288 1.00 0.00 C ATOM 0 H LEU A 96 1.345 11.528 -11.877 1.00 0.00 H new ATOM 0 HA LEU A 96 4.051 11.301 -13.114 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.766 12.647 -14.453 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.227 11.955 -15.129 1.00 0.00 H new ATOM 0 HG LEU A 96 1.658 10.447 -15.843 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.806 8.396 -14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.378 9.218 -14.641 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.444 9.345 -13.131 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.306 9.704 -14.564 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.193 10.739 -13.205 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.264 11.473 -14.761 1.00 0.00 H new