USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 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 39 GLN :FLIP amide:sc= -1.66 F(o=-5!,f=-0.49) USER MOD Set 1.2: A 59 TYR OH : rot -93:sc= 1.17 USER MOD Single : A 14 SER OG : rot 180:sc= -1.41 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.957! USER MOD Single : A 35 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.7!) USER MOD Single : A 36 THR OG1 : rot 102:sc= -0.854 USER MOD Single : A 41 HIS : no HE2:sc= -0.632 K(o=-0.63,f=-1.1) USER MOD Single : A 46 HIS : no HD1:sc= -0.0738 X(o=-0.074,f=-0.073) USER MOD Single : A 47 CYS SG : rot -92:sc= 0.247 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -87:sc= 1.04 USER MOD Single : A 64 GLN : amide:sc= -0.0164 K(o=-0.016,f=-2.3!) USER MOD Single : A 68 CYS SG : rot 25:sc= -1.22 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -142:sc= -0.555 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 154:sc= -1.26 (180deg=-3.32!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -120:sc= 0.0926 (180deg=-0.213) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -143:sc= -3.08 (180deg=-5.61!) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.394) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -1.168 15.348 -12.792 1.00 0.00 N ATOM 121 CA ARG A 12 -1.876 14.503 -13.738 1.00 0.00 C ATOM 122 C ARG A 12 -1.672 13.027 -13.390 1.00 0.00 C ATOM 123 O ARG A 12 -0.540 12.548 -13.345 1.00 0.00 O ATOM 124 CB ARG A 12 -1.394 14.754 -15.168 1.00 0.00 C ATOM 125 CG ARG A 12 0.130 14.661 -15.257 1.00 0.00 C ATOM 126 CD ARG A 12 0.560 13.877 -16.499 1.00 0.00 C ATOM 127 NE ARG A 12 1.517 14.677 -17.296 1.00 0.00 N ATOM 128 CZ ARG A 12 1.757 14.481 -18.600 1.00 0.00 C ATOM 129 NH1 ARG A 12 1.112 13.510 -19.261 1.00 0.00 N ATOM 130 NH2 ARG A 12 2.643 15.255 -19.242 1.00 0.00 N ATOM 0 HA ARG A 12 -2.936 14.751 -13.674 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.846 14.026 -15.841 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.722 15.740 -15.498 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.558 15.663 -15.289 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.521 14.176 -14.363 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.020 12.934 -16.203 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.313 13.630 -17.104 1.00 0.00 H new ATOM 0 HE ARG A 12 2.026 15.424 -16.823 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.439 12.920 -18.772 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.294 13.361 -20.253 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.135 15.993 -18.738 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.826 15.106 -20.234 1.00 0.00 H new ATOM 144 N TRP A 13 -2.784 12.349 -13.152 1.00 0.00 N ATOM 145 CA TRP A 13 -2.741 10.937 -12.809 1.00 0.00 C ATOM 146 C TRP A 13 -3.147 10.137 -14.048 1.00 0.00 C ATOM 147 O TRP A 13 -4.066 10.524 -14.767 1.00 0.00 O ATOM 148 CB TRP A 13 -3.619 10.642 -11.592 1.00 0.00 C ATOM 149 CG TRP A 13 -3.080 11.217 -10.280 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.956 12.506 -9.934 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.595 10.467 -9.147 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.428 12.640 -8.666 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.202 11.361 -8.173 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.492 9.078 -8.952 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.679 10.965 -6.936 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.967 8.699 -7.711 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.566 9.587 -6.719 1.00 0.00 C ATOM 0 H TRP A 13 -3.721 12.750 -13.190 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.733 10.641 -12.519 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.616 11.044 -11.770 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.725 9.562 -11.487 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.234 13.335 -10.568 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.239 13.517 -8.180 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.794 8.361 -9.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.379 11.685 -6.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.866 7.643 -7.510 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.169 9.215 -5.786 1.00 0.00 H new ATOM 168 N SER A 14 -2.442 9.035 -14.259 1.00 0.00 N ATOM 169 CA SER A 14 -2.718 8.177 -15.398 1.00 0.00 C ATOM 170 C SER A 14 -4.037 7.432 -15.186 1.00 0.00 C ATOM 171 O SER A 14 -4.692 7.604 -14.159 1.00 0.00 O ATOM 172 CB SER A 14 -1.578 7.182 -15.627 1.00 0.00 C ATOM 173 OG SER A 14 -1.064 7.256 -16.954 1.00 0.00 O ATOM 0 H SER A 14 -1.680 8.717 -13.660 1.00 0.00 H new ATOM 0 HA SER A 14 -2.801 8.804 -16.285 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.776 7.380 -14.916 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.935 6.171 -15.432 1.00 0.00 H new ATOM 0 HG SER A 14 -0.337 6.607 -17.060 1.00 0.00 H new ATOM 179 N PRO A 15 -4.397 6.599 -16.199 1.00 0.00 N ATOM 180 CA PRO A 15 -5.627 5.828 -16.132 1.00 0.00 C ATOM 181 C PRO A 15 -5.483 4.649 -15.168 1.00 0.00 C ATOM 182 O PRO A 15 -4.390 4.110 -14.999 1.00 0.00 O ATOM 183 CB PRO A 15 -5.897 5.395 -17.564 1.00 0.00 C ATOM 184 CG PRO A 15 -4.575 5.541 -18.300 1.00 0.00 C ATOM 185 CD PRO A 15 -3.646 6.371 -17.429 1.00 0.00 C ATOM 0 HA PRO A 15 -6.465 6.404 -15.739 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.252 4.365 -17.600 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.669 6.015 -18.021 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.139 4.562 -18.499 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.727 6.024 -19.265 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.713 5.844 -17.231 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.384 7.312 -17.913 1.00 0.00 H new ATOM 193 N PRO A 16 -6.631 4.273 -14.544 1.00 0.00 N ATOM 194 CA PRO A 16 -6.644 3.167 -13.601 1.00 0.00 C ATOM 195 C PRO A 16 -6.559 1.824 -14.330 1.00 0.00 C ATOM 196 O PRO A 16 -7.198 1.633 -15.363 1.00 0.00 O ATOM 197 CB PRO A 16 -7.933 3.336 -12.815 1.00 0.00 C ATOM 198 CG PRO A 16 -8.815 4.249 -13.651 1.00 0.00 C ATOM 199 CD PRO A 16 -7.944 4.887 -14.720 1.00 0.00 C ATOM 0 HA PRO A 16 -5.783 3.173 -12.933 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.416 2.374 -12.646 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.738 3.771 -11.835 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.626 3.682 -14.108 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.274 5.015 -13.025 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.339 4.697 -15.718 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.895 5.969 -14.597 1.00 0.00 H new ATOM 207 N ARG A 17 -5.763 0.929 -13.762 1.00 0.00 N ATOM 208 CA ARG A 17 -5.586 -0.390 -14.344 1.00 0.00 C ATOM 209 C ARG A 17 -6.611 -1.368 -13.765 1.00 0.00 C ATOM 210 O ARG A 17 -7.245 -1.079 -12.751 1.00 0.00 O ATOM 211 CB ARG A 17 -4.177 -0.923 -14.081 1.00 0.00 C ATOM 212 CG ARG A 17 -3.133 0.185 -14.235 1.00 0.00 C ATOM 213 CD ARG A 17 -1.770 -0.268 -13.709 1.00 0.00 C ATOM 214 NE ARG A 17 -1.310 -1.460 -14.457 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.048 -1.913 -14.445 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.886 -1.277 -13.726 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.279 -3.002 -15.154 1.00 0.00 N ATOM 0 H ARG A 17 -5.234 1.092 -12.905 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.733 -0.300 -15.420 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.124 -1.340 -13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.956 -1.734 -14.774 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.047 0.465 -15.285 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.458 1.074 -13.694 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.044 0.539 -13.812 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.840 -0.500 -12.646 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.995 -1.968 -15.016 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.638 -0.447 -13.187 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.846 -1.622 -13.717 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.432 -3.486 -15.702 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.239 -3.347 -15.145 1.00 0.00 H new ATOM 231 N GLY A 18 -6.740 -2.504 -14.434 1.00 0.00 N ATOM 232 CA GLY A 18 -7.677 -3.526 -13.998 1.00 0.00 C ATOM 233 C GLY A 18 -6.941 -4.797 -13.569 1.00 0.00 C ATOM 234 O GLY A 18 -6.543 -5.602 -14.411 1.00 0.00 O ATOM 0 H GLY A 18 -6.212 -2.740 -15.274 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.272 -3.148 -13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.370 -3.758 -14.807 1.00 0.00 H new ATOM 238 N ILE A 19 -6.782 -4.939 -12.262 1.00 0.00 N ATOM 239 CA ILE A 19 -6.101 -6.099 -11.711 1.00 0.00 C ATOM 240 C ILE A 19 -7.139 -7.139 -11.285 1.00 0.00 C ATOM 241 O ILE A 19 -8.263 -6.790 -10.928 1.00 0.00 O ATOM 242 CB ILE A 19 -5.153 -5.679 -10.586 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.416 -4.387 -10.944 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.187 -6.812 -10.233 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.308 -4.090 -9.931 1.00 0.00 C ATOM 0 H ILE A 19 -7.113 -4.270 -11.567 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.472 -6.567 -12.468 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.748 -5.474 -9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.987 -4.473 -11.943 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.122 -3.557 -10.971 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.524 -6.488 -9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.753 -7.684 -9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.595 -7.072 -11.110 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.800 -3.167 -10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.743 -3.981 -8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.591 -4.911 -9.925 1.00 0.00 H new ATOM 257 N HIS A 20 -6.725 -8.397 -11.338 1.00 0.00 N ATOM 258 CA HIS A 20 -7.604 -9.491 -10.962 1.00 0.00 C ATOM 259 C HIS A 20 -6.814 -10.537 -10.175 1.00 0.00 C ATOM 260 O HIS A 20 -5.960 -11.224 -10.732 1.00 0.00 O ATOM 261 CB HIS A 20 -8.300 -10.076 -12.193 1.00 0.00 C ATOM 262 CG HIS A 20 -7.464 -10.034 -13.449 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.704 -9.144 -14.481 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.387 -10.781 -13.828 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.808 -9.355 -15.434 1.00 0.00 C ATOM 266 NE2 HIS A 20 -5.992 -10.370 -15.027 1.00 0.00 N ATOM 0 H HIS A 20 -5.792 -8.683 -11.636 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.395 -9.119 -10.311 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.574 -11.110 -11.986 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.227 -9.530 -12.367 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.933 -11.573 -13.250 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.736 -8.818 -16.368 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.208 -10.750 -15.557 1.00 0.00 H new ATOM 274 N PHE A 21 -7.127 -10.625 -8.890 1.00 0.00 N ATOM 275 CA PHE A 21 -6.456 -11.577 -8.020 1.00 0.00 C ATOM 276 C PHE A 21 -7.318 -11.904 -6.799 1.00 0.00 C ATOM 277 O PHE A 21 -8.388 -11.327 -6.617 1.00 0.00 O ATOM 278 CB PHE A 21 -5.158 -10.916 -7.552 1.00 0.00 C ATOM 279 CG PHE A 21 -5.368 -9.744 -6.592 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.644 -8.505 -7.081 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.278 -9.940 -5.249 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.838 -7.417 -6.190 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.472 -8.851 -4.358 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.748 -7.613 -4.847 1.00 0.00 C ATOM 0 H PHE A 21 -7.836 -10.053 -8.431 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.268 -12.506 -8.558 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.536 -11.666 -7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.607 -10.564 -8.424 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.716 -8.349 -8.147 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.059 -10.924 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.057 -6.433 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.400 -9.007 -3.292 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.896 -6.785 -4.169 1.00 0.00 H new ATOM 294 N THR A 22 -6.818 -12.830 -5.993 1.00 0.00 N ATOM 295 CA THR A 22 -7.528 -13.241 -4.794 1.00 0.00 C ATOM 296 C THR A 22 -6.741 -12.843 -3.544 1.00 0.00 C ATOM 297 O THR A 22 -5.615 -13.298 -3.344 1.00 0.00 O ATOM 298 CB THR A 22 -7.791 -14.745 -4.893 1.00 0.00 C ATOM 299 OG1 THR A 22 -9.007 -14.837 -5.631 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.130 -15.370 -3.538 1.00 0.00 C ATOM 0 H THR A 22 -5.930 -13.307 -6.147 1.00 0.00 H new ATOM 0 HA THR A 22 -8.489 -12.733 -4.710 1.00 0.00 H new ATOM 0 HB THR A 22 -6.915 -15.240 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.251 -15.779 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.308 -16.438 -3.664 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.298 -15.219 -2.850 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.026 -14.899 -3.134 1.00 0.00 H new ATOM 308 N VAL A 23 -7.363 -11.997 -2.736 1.00 0.00 N ATOM 309 CA VAL A 23 -6.734 -11.532 -1.512 1.00 0.00 C ATOM 310 C VAL A 23 -6.286 -12.739 -0.684 1.00 0.00 C ATOM 311 O VAL A 23 -6.936 -13.783 -0.700 1.00 0.00 O ATOM 312 CB VAL A 23 -7.687 -10.607 -0.752 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.127 -10.255 0.627 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.985 -9.343 -1.562 1.00 0.00 C ATOM 0 H VAL A 23 -8.296 -11.622 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.845 -10.944 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.626 -11.141 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.824 -9.597 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.989 -11.167 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.168 -9.750 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.664 -8.702 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.056 -8.806 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.447 -9.619 -2.510 1.00 0.00 H new ATOM 324 N GLU A 24 -5.179 -12.555 0.020 1.00 0.00 N ATOM 325 CA GLU A 24 -4.636 -13.615 0.853 1.00 0.00 C ATOM 326 C GLU A 24 -4.741 -13.235 2.331 1.00 0.00 C ATOM 327 O GLU A 24 -4.026 -12.351 2.801 1.00 0.00 O ATOM 328 CB GLU A 24 -3.189 -13.928 0.468 1.00 0.00 C ATOM 329 CG GLU A 24 -3.129 -15.043 -0.578 1.00 0.00 C ATOM 330 CD GLU A 24 -2.710 -16.370 0.059 1.00 0.00 C ATOM 331 OE1 GLU A 24 -3.500 -16.876 0.886 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.611 -16.848 -0.295 1.00 0.00 O ATOM 0 H GLU A 24 -4.643 -11.687 0.031 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.224 -14.518 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.711 -13.030 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.629 -14.226 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.104 -15.155 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.422 -14.773 -1.363 1.00 0.00 H new ATOM 339 N GLU A 25 -5.638 -13.921 3.024 1.00 0.00 N ATOM 340 CA GLU A 25 -5.845 -13.667 4.439 1.00 0.00 C ATOM 341 C GLU A 25 -4.751 -14.345 5.266 1.00 0.00 C ATOM 342 O GLU A 25 -5.045 -15.084 6.204 1.00 0.00 O ATOM 343 CB GLU A 25 -7.234 -14.132 4.882 1.00 0.00 C ATOM 344 CG GLU A 25 -8.127 -12.938 5.227 1.00 0.00 C ATOM 345 CD GLU A 25 -8.998 -13.240 6.448 1.00 0.00 C ATOM 346 OE1 GLU A 25 -8.446 -13.177 7.568 1.00 0.00 O ATOM 347 OE2 GLU A 25 -10.196 -13.527 6.235 1.00 0.00 O ATOM 0 H GLU A 25 -6.230 -14.653 2.631 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.787 -12.592 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.696 -14.719 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.143 -14.786 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.509 -12.062 5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.761 -12.695 4.374 1.00 0.00 H new ATOM 354 N GLY A 26 -3.511 -14.069 4.888 1.00 0.00 N ATOM 355 CA GLY A 26 -2.372 -14.643 5.583 1.00 0.00 C ATOM 356 C GLY A 26 -1.066 -13.986 5.130 1.00 0.00 C ATOM 357 O GLY A 26 -0.183 -13.726 5.945 1.00 0.00 O ATOM 0 H GLY A 26 -3.271 -13.455 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.495 -14.514 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.329 -15.716 5.394 1.00 0.00 H new ATOM 361 N ASP A 27 -0.986 -13.737 3.831 1.00 0.00 N ATOM 362 CA ASP A 27 0.197 -13.116 3.260 1.00 0.00 C ATOM 363 C ASP A 27 -0.176 -12.436 1.941 1.00 0.00 C ATOM 364 O ASP A 27 -0.088 -13.046 0.877 1.00 0.00 O ATOM 365 CB ASP A 27 1.278 -14.158 2.965 1.00 0.00 C ATOM 366 CG ASP A 27 2.550 -13.605 2.319 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.679 -12.362 2.293 1.00 0.00 O ATOM 368 OD2 ASP A 27 3.366 -14.437 1.867 1.00 0.00 O ATOM 0 H ASP A 27 -1.721 -13.954 3.158 1.00 0.00 H new ATOM 0 HA ASP A 27 0.580 -12.393 3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.548 -14.653 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.857 -14.920 2.309 1.00 0.00 H new ATOM 373 N LEU A 28 -0.583 -11.180 2.055 1.00 0.00 N ATOM 374 CA LEU A 28 -0.970 -10.410 0.885 1.00 0.00 C ATOM 375 C LEU A 28 0.239 -10.255 -0.040 1.00 0.00 C ATOM 376 O LEU A 28 0.083 -10.113 -1.252 1.00 0.00 O ATOM 377 CB LEU A 28 -1.599 -9.079 1.303 1.00 0.00 C ATOM 378 CG LEU A 28 -3.003 -9.161 1.906 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.383 -7.847 2.590 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.030 -9.577 0.851 1.00 0.00 C ATOM 0 H LEU A 28 -0.653 -10.677 2.939 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.740 -10.936 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.941 -8.601 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.638 -8.428 0.430 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.000 -9.934 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.385 -7.932 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.672 -7.633 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.363 -7.038 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.019 -9.628 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.039 -8.845 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.764 -10.555 0.451 1.00 0.00 H new ATOM 392 N GLY A 29 1.416 -10.287 0.566 1.00 0.00 N ATOM 393 CA GLY A 29 2.651 -10.151 -0.188 1.00 0.00 C ATOM 394 C GLY A 29 3.025 -8.679 -0.366 1.00 0.00 C ATOM 395 O GLY A 29 4.061 -8.364 -0.952 1.00 0.00 O ATOM 0 H GLY A 29 1.541 -10.405 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.456 -10.675 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.539 -10.622 -1.165 1.00 0.00 H new ATOM 399 N PHE A 30 2.163 -7.815 0.149 1.00 0.00 N ATOM 400 CA PHE A 30 2.390 -6.383 0.053 1.00 0.00 C ATOM 401 C PHE A 30 1.702 -5.641 1.201 1.00 0.00 C ATOM 402 O PHE A 30 0.902 -6.224 1.931 1.00 0.00 O ATOM 403 CB PHE A 30 1.784 -5.921 -1.273 1.00 0.00 C ATOM 404 CG PHE A 30 0.254 -5.934 -1.296 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.443 -4.858 -0.842 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.410 -7.023 -1.771 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.862 -4.870 -0.863 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.830 -7.035 -1.792 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.526 -5.959 -1.338 1.00 0.00 C ATOM 0 H PHE A 30 1.306 -8.079 0.634 1.00 0.00 H new ATOM 0 HA PHE A 30 3.458 -6.171 0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.132 -4.910 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.155 -6.562 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.084 -3.994 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.143 -7.878 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.415 -4.015 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.357 -7.899 -2.169 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.606 -5.968 -1.354 1.00 0.00 H new ATOM 419 N THR A 31 2.038 -4.365 1.324 1.00 0.00 N ATOM 420 CA THR A 31 1.463 -3.538 2.371 1.00 0.00 C ATOM 421 C THR A 31 1.095 -2.159 1.818 1.00 0.00 C ATOM 422 O THR A 31 1.351 -1.865 0.651 1.00 0.00 O ATOM 423 CB THR A 31 2.459 -3.481 3.530 1.00 0.00 C ATOM 424 OG1 THR A 31 2.335 -2.152 4.030 1.00 0.00 O ATOM 425 CG2 THR A 31 3.912 -3.568 3.059 1.00 0.00 C ATOM 0 H THR A 31 2.701 -3.884 0.716 1.00 0.00 H new ATOM 0 HA THR A 31 0.532 -3.964 2.745 1.00 0.00 H new ATOM 0 HB THR A 31 2.254 -4.295 4.225 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.946 -2.029 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.577 -3.523 3.921 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.067 -4.508 2.530 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.128 -2.735 2.390 1.00 0.00 H new ATOM 433 N LEU A 32 0.500 -1.350 2.682 1.00 0.00 N ATOM 434 CA LEU A 32 0.094 -0.010 2.296 1.00 0.00 C ATOM 435 C LEU A 32 0.796 1.010 3.194 1.00 0.00 C ATOM 436 O LEU A 32 0.896 0.812 4.404 1.00 0.00 O ATOM 437 CB LEU A 32 -1.431 0.111 2.303 1.00 0.00 C ATOM 438 CG LEU A 32 -2.192 -0.954 1.510 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.703 -0.797 1.692 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.787 -0.932 0.035 1.00 0.00 C ATOM 0 H LEU A 32 0.289 -1.597 3.649 1.00 0.00 H new ATOM 0 HA LEU A 32 0.403 0.201 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.773 0.079 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.700 1.091 1.908 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.920 -1.933 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.220 -1.566 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.955 -0.901 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.011 0.187 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.342 -1.698 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.011 0.047 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.718 -1.129 -0.052 1.00 0.00 H new ATOM 452 N ARG A 33 1.264 2.080 2.568 1.00 0.00 N ATOM 453 CA ARG A 33 1.954 3.131 3.296 1.00 0.00 C ATOM 454 C ARG A 33 1.478 4.506 2.821 1.00 0.00 C ATOM 455 O ARG A 33 0.926 4.632 1.728 1.00 0.00 O ATOM 456 CB ARG A 33 3.468 3.030 3.106 1.00 0.00 C ATOM 457 CG ARG A 33 3.837 3.035 1.621 1.00 0.00 C ATOM 458 CD ARG A 33 4.872 4.120 1.317 1.00 0.00 C ATOM 459 NE ARG A 33 6.200 3.504 1.095 1.00 0.00 N ATOM 460 CZ ARG A 33 7.348 4.193 1.044 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.338 5.524 1.199 1.00 0.00 N ATOM 462 NH2 ARG A 33 8.506 3.551 0.838 1.00 0.00 N ATOM 0 H ARG A 33 1.179 2.242 1.564 1.00 0.00 H new ATOM 0 HA ARG A 33 1.723 3.008 4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.957 3.864 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.836 2.116 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.233 2.060 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.943 3.202 1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.571 4.684 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.924 4.827 2.145 1.00 0.00 H new ATOM 0 HE ARG A 33 6.244 2.492 0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.456 6.013 1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.212 6.049 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.513 2.538 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.380 4.075 0.799 1.00 0.00 H new ATOM 476 N GLY A 34 1.709 5.501 3.664 1.00 0.00 N ATOM 477 CA GLY A 34 1.311 6.861 3.344 1.00 0.00 C ATOM 478 C GLY A 34 -0.062 7.185 3.938 1.00 0.00 C ATOM 479 O GLY A 34 -0.511 6.521 4.871 1.00 0.00 O ATOM 0 H GLY A 34 2.167 5.393 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.052 7.561 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.283 6.990 2.262 1.00 0.00 H new ATOM 483 N ASN A 35 -0.690 8.205 3.372 1.00 0.00 N ATOM 484 CA ASN A 35 -2.002 8.625 3.833 1.00 0.00 C ATOM 485 C ASN A 35 -3.050 8.256 2.781 1.00 0.00 C ATOM 486 O ASN A 35 -3.837 7.332 2.981 1.00 0.00 O ATOM 487 CB ASN A 35 -2.054 10.139 4.041 1.00 0.00 C ATOM 488 CG ASN A 35 -1.068 10.854 3.115 1.00 0.00 C ATOM 489 OD1 ASN A 35 0.127 10.611 3.133 1.00 0.00 O ATOM 490 ND2 ASN A 35 -1.634 11.747 2.308 1.00 0.00 N ATOM 0 H ASN A 35 -0.314 8.753 2.598 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.203 8.124 4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.064 10.501 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.820 10.375 5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.060 12.278 1.652 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.642 11.901 2.345 1.00 0.00 H new ATOM 497 N THR A 36 -3.026 8.996 1.682 1.00 0.00 N ATOM 498 CA THR A 36 -3.964 8.758 0.599 1.00 0.00 C ATOM 499 C THR A 36 -3.640 9.660 -0.594 1.00 0.00 C ATOM 500 O THR A 36 -3.318 10.834 -0.421 1.00 0.00 O ATOM 501 CB THR A 36 -5.378 8.959 1.145 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.185 9.100 -0.021 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.541 10.294 1.874 1.00 0.00 C ATOM 0 H THR A 36 -2.371 9.761 1.519 1.00 0.00 H new ATOM 0 HA THR A 36 -3.886 7.737 0.226 1.00 0.00 H new ATOM 0 HB THR A 36 -5.623 8.142 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.652 8.257 -0.199 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.563 10.386 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.848 10.337 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.328 11.112 1.186 1.00 0.00 H new ATOM 511 N PRO A 37 -3.738 9.060 -1.811 1.00 0.00 N ATOM 512 CA PRO A 37 -4.125 7.665 -1.929 1.00 0.00 C ATOM 513 C PRO A 37 -2.973 6.741 -1.528 1.00 0.00 C ATOM 514 O PRO A 37 -1.841 6.926 -1.971 1.00 0.00 O ATOM 515 CB PRO A 37 -4.546 7.494 -3.379 1.00 0.00 C ATOM 516 CG PRO A 37 -3.943 8.670 -4.130 1.00 0.00 C ATOM 517 CD PRO A 37 -3.484 9.692 -3.102 1.00 0.00 C ATOM 0 HA PRO A 37 -4.941 7.397 -1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.185 6.547 -3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.632 7.487 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.104 8.342 -4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.678 9.110 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.427 9.930 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.035 10.627 -3.200 1.00 0.00 H new ATOM 525 N VAL A 38 -3.302 5.765 -0.694 1.00 0.00 N ATOM 526 CA VAL A 38 -2.309 4.812 -0.228 1.00 0.00 C ATOM 527 C VAL A 38 -1.541 4.255 -1.429 1.00 0.00 C ATOM 528 O VAL A 38 -2.020 4.318 -2.560 1.00 0.00 O ATOM 529 CB VAL A 38 -2.982 3.722 0.608 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.610 4.311 1.873 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.022 2.961 -0.217 1.00 0.00 C ATOM 0 H VAL A 38 -4.242 5.614 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.585 5.302 0.423 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.213 3.012 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.082 3.515 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.836 4.786 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.360 5.052 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.485 2.192 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.787 3.654 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.536 2.494 -1.074 1.00 0.00 H new ATOM 541 N GLN A 39 -0.362 3.723 -1.141 1.00 0.00 N ATOM 542 CA GLN A 39 0.477 3.155 -2.183 1.00 0.00 C ATOM 543 C GLN A 39 0.612 1.643 -1.991 1.00 0.00 C ATOM 544 O GLN A 39 0.046 1.080 -1.055 1.00 0.00 O ATOM 545 CB GLN A 39 1.850 3.830 -2.208 1.00 0.00 C ATOM 546 CG GLN A 39 1.970 4.784 -3.398 1.00 0.00 C ATOM 547 CD GLN A 39 3.205 5.677 -3.262 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.775 5.992 -4.422 1.00 0.00 O flip ATOM 549 NE2 GLN A 39 3.612 6.056 -2.176 1.00 0.00 N flip ATOM 0 H GLN A 39 0.032 3.673 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 39 0.001 3.337 -3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.006 4.379 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.631 3.072 -2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.031 4.211 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.075 5.403 -3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.126 5.777 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.438 6.652 -2.121 1.00 0.00 H new ATOM 558 N VAL A 40 1.365 1.030 -2.892 1.00 0.00 N ATOM 559 CA VAL A 40 1.581 -0.406 -2.834 1.00 0.00 C ATOM 560 C VAL A 40 3.076 -0.685 -2.665 1.00 0.00 C ATOM 561 O VAL A 40 3.855 -0.501 -3.600 1.00 0.00 O ATOM 562 CB VAL A 40 0.983 -1.076 -4.072 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.360 -2.558 -4.130 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.535 -0.894 -4.115 1.00 0.00 C ATOM 0 H VAL A 40 1.833 1.501 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 40 1.071 -0.835 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 40 1.403 -0.589 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.922 -3.010 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.445 -2.656 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.982 -3.065 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.935 -1.380 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.980 -1.341 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.773 0.169 -4.144 1.00 0.00 H new ATOM 574 N HIS A 41 3.432 -1.126 -1.468 1.00 0.00 N ATOM 575 CA HIS A 41 4.820 -1.433 -1.165 1.00 0.00 C ATOM 576 C HIS A 41 5.044 -2.943 -1.263 1.00 0.00 C ATOM 577 O HIS A 41 4.968 -3.652 -0.260 1.00 0.00 O ATOM 578 CB HIS A 41 5.218 -0.861 0.197 1.00 0.00 C ATOM 579 CG HIS A 41 6.679 -0.495 0.306 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.359 0.180 -0.693 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.581 -0.715 1.304 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.613 0.352 -0.303 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.749 -0.204 0.935 1.00 0.00 N ATOM 0 H HIS A 41 2.783 -1.278 -0.696 1.00 0.00 H new ATOM 0 HA HIS A 41 5.471 -0.956 -1.898 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.616 0.025 0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.978 -1.591 0.970 1.00 0.00 H new ATOM 0 HD1 HIS A 41 6.962 0.492 -1.579 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.379 -1.220 2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.391 0.846 -0.866 1.00 0.00 H new ATOM 591 N PHE A 42 5.317 -3.391 -2.480 1.00 0.00 N ATOM 592 CA PHE A 42 5.553 -4.805 -2.721 1.00 0.00 C ATOM 593 C PHE A 42 6.693 -5.328 -1.844 1.00 0.00 C ATOM 594 O PHE A 42 7.735 -4.685 -1.726 1.00 0.00 O ATOM 595 CB PHE A 42 5.950 -4.947 -4.192 1.00 0.00 C ATOM 596 CG PHE A 42 4.787 -5.307 -5.119 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.978 -6.357 -4.817 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.563 -4.576 -6.243 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.899 -6.692 -5.677 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.484 -4.911 -7.104 1.00 0.00 C ATOM 601 CZ PHE A 42 2.675 -5.961 -6.802 1.00 0.00 C ATOM 0 H PHE A 42 5.380 -2.800 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 42 4.657 -5.378 -2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.394 -4.011 -4.530 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.720 -5.714 -4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.156 -6.936 -3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.205 -3.741 -6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.257 -7.527 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.306 -4.332 -7.998 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.854 -6.215 -7.456 1.00 0.00 H new ATOM 611 N LEU A 43 6.456 -6.489 -1.253 1.00 0.00 N ATOM 612 CA LEU A 43 7.450 -7.106 -0.391 1.00 0.00 C ATOM 613 C LEU A 43 7.916 -8.422 -1.017 1.00 0.00 C ATOM 614 O LEU A 43 9.114 -8.694 -1.079 1.00 0.00 O ATOM 615 CB LEU A 43 6.904 -7.260 1.031 1.00 0.00 C ATOM 616 CG LEU A 43 6.789 -5.972 1.848 1.00 0.00 C ATOM 617 CD1 LEU A 43 6.203 -6.253 3.233 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.136 -5.252 1.930 1.00 0.00 C ATOM 0 H LEU A 43 5.590 -7.019 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 43 8.328 -6.466 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.917 -7.719 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.547 -7.954 1.573 1.00 0.00 H new ATOM 0 HG LEU A 43 6.098 -5.303 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.132 -5.321 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.210 -6.689 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.849 -6.949 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.026 -4.340 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.868 -5.904 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.475 -4.999 0.925 1.00 0.00 H new ATOM 630 N ASP A 44 6.944 -9.204 -1.464 1.00 0.00 N ATOM 631 CA ASP A 44 7.240 -10.485 -2.083 1.00 0.00 C ATOM 632 C ASP A 44 7.092 -10.359 -3.601 1.00 0.00 C ATOM 633 O ASP A 44 6.051 -9.927 -4.093 1.00 0.00 O ATOM 634 CB ASP A 44 6.270 -11.566 -1.602 1.00 0.00 C ATOM 635 CG ASP A 44 6.013 -11.579 -0.093 1.00 0.00 C ATOM 636 OD1 ASP A 44 6.295 -10.539 0.539 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.541 -12.630 0.393 1.00 0.00 O ATOM 0 H ASP A 44 5.951 -8.975 -1.410 1.00 0.00 H new ATOM 0 HA ASP A 44 8.257 -10.765 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.318 -11.434 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.660 -12.540 -1.898 1.00 0.00 H new ATOM 642 N PRO A 45 8.177 -10.755 -4.319 1.00 0.00 N ATOM 643 CA PRO A 45 8.178 -10.691 -5.770 1.00 0.00 C ATOM 644 C PRO A 45 7.330 -11.814 -6.369 1.00 0.00 C ATOM 645 O PRO A 45 7.154 -11.884 -7.585 1.00 0.00 O ATOM 646 CB PRO A 45 9.643 -10.778 -6.167 1.00 0.00 C ATOM 647 CG PRO A 45 10.368 -11.352 -4.960 1.00 0.00 C ATOM 648 CD PRO A 45 9.427 -11.272 -3.769 1.00 0.00 C ATOM 0 HA PRO A 45 7.729 -9.773 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.774 -11.416 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.036 -9.795 -6.428 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.661 -12.385 -5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.282 -10.792 -4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.283 -12.251 -3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.822 -10.613 -2.996 1.00 0.00 H new ATOM 656 N HIS A 46 6.826 -12.666 -5.488 1.00 0.00 N ATOM 657 CA HIS A 46 6.000 -13.783 -5.915 1.00 0.00 C ATOM 658 C HIS A 46 4.748 -13.859 -5.038 1.00 0.00 C ATOM 659 O HIS A 46 4.547 -14.839 -4.322 1.00 0.00 O ATOM 660 CB HIS A 46 6.804 -15.084 -5.915 1.00 0.00 C ATOM 661 CG HIS A 46 8.204 -14.941 -6.462 1.00 0.00 C ATOM 662 ND1 HIS A 46 9.334 -15.114 -5.683 1.00 0.00 N ATOM 663 CD2 HIS A 46 8.644 -14.640 -7.718 1.00 0.00 C ATOM 664 CE1 HIS A 46 10.401 -14.923 -6.445 1.00 0.00 C ATOM 665 NE2 HIS A 46 9.971 -14.629 -7.706 1.00 0.00 N ATOM 0 H HIS A 46 6.974 -12.605 -4.481 1.00 0.00 H new ATOM 0 HA HIS A 46 5.673 -13.627 -6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.861 -15.464 -4.895 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.269 -15.829 -6.504 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.018 -14.444 -8.576 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.430 -14.989 -6.124 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.571 -14.433 -8.507 1.00 0.00 H new ATOM 673 N CYS A 47 3.939 -12.813 -5.124 1.00 0.00 N ATOM 674 CA CYS A 47 2.713 -12.750 -4.348 1.00 0.00 C ATOM 675 C CYS A 47 1.534 -12.663 -5.319 1.00 0.00 C ATOM 676 O CYS A 47 1.713 -12.336 -6.491 1.00 0.00 O ATOM 677 CB CYS A 47 2.728 -11.580 -3.361 1.00 0.00 C ATOM 678 SG CYS A 47 3.249 -10.048 -4.215 1.00 0.00 S ATOM 0 H CYS A 47 4.109 -12.002 -5.719 1.00 0.00 H new ATOM 0 HA CYS A 47 2.617 -13.650 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.737 -11.446 -2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.409 -11.797 -2.538 1.00 0.00 H new ATOM 0 HG CYS A 47 4.537 -9.908 -4.107 1.00 0.00 H new ATOM 684 N SER A 48 0.354 -12.961 -4.795 1.00 0.00 N ATOM 685 CA SER A 48 -0.854 -12.920 -5.601 1.00 0.00 C ATOM 686 C SER A 48 -0.938 -11.590 -6.351 1.00 0.00 C ATOM 687 O SER A 48 -0.928 -11.565 -7.581 1.00 0.00 O ATOM 688 CB SER A 48 -2.100 -13.120 -4.735 1.00 0.00 C ATOM 689 OG SER A 48 -2.254 -14.477 -4.326 1.00 0.00 O ATOM 0 H SER A 48 0.209 -13.232 -3.822 1.00 0.00 H new ATOM 0 HA SER A 48 -0.811 -13.735 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.036 -12.481 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.983 -12.807 -5.292 1.00 0.00 H new ATOM 0 HG SER A 48 -3.059 -14.563 -3.774 1.00 0.00 H new ATOM 695 N ALA A 49 -1.019 -10.515 -5.580 1.00 0.00 N ATOM 696 CA ALA A 49 -1.105 -9.185 -6.157 1.00 0.00 C ATOM 697 C ALA A 49 -0.158 -9.091 -7.356 1.00 0.00 C ATOM 698 O ALA A 49 -0.604 -8.963 -8.495 1.00 0.00 O ATOM 699 CB ALA A 49 -0.790 -8.141 -5.084 1.00 0.00 C ATOM 0 H ALA A 49 -1.027 -10.539 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.115 -8.989 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.855 -7.143 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.508 -8.230 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.217 -8.306 -4.701 1.00 0.00 H new ATOM 705 N SER A 50 1.131 -9.160 -7.058 1.00 0.00 N ATOM 706 CA SER A 50 2.144 -9.085 -8.097 1.00 0.00 C ATOM 707 C SER A 50 1.795 -10.042 -9.239 1.00 0.00 C ATOM 708 O SER A 50 1.724 -9.632 -10.396 1.00 0.00 O ATOM 709 CB SER A 50 3.531 -9.409 -7.538 1.00 0.00 C ATOM 710 OG SER A 50 4.570 -9.044 -8.443 1.00 0.00 O ATOM 0 H SER A 50 1.497 -9.267 -6.112 1.00 0.00 H new ATOM 0 HA SER A 50 2.166 -8.065 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.673 -8.885 -6.593 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.595 -10.476 -7.323 1.00 0.00 H new ATOM 0 HG SER A 50 5.440 -9.265 -8.049 1.00 0.00 H new ATOM 716 N LEU A 51 1.586 -11.298 -8.872 1.00 0.00 N ATOM 717 CA LEU A 51 1.246 -12.316 -9.851 1.00 0.00 C ATOM 718 C LEU A 51 0.062 -11.833 -10.693 1.00 0.00 C ATOM 719 O LEU A 51 -0.088 -12.234 -11.846 1.00 0.00 O ATOM 720 CB LEU A 51 1.004 -13.661 -9.164 1.00 0.00 C ATOM 721 CG LEU A 51 2.213 -14.285 -8.465 1.00 0.00 C ATOM 722 CD1 LEU A 51 1.777 -15.151 -7.282 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.078 -15.064 -9.458 1.00 0.00 C ATOM 0 H LEU A 51 1.646 -11.633 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 51 2.079 -12.479 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.210 -13.533 -8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.637 -14.366 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 51 2.828 -13.480 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.656 -15.582 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.236 -14.537 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.128 -15.951 -7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.931 -15.498 -8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.486 -15.860 -9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.434 -14.390 -10.237 1.00 0.00 H new ATOM 735 N ALA A 52 -0.747 -10.980 -10.083 1.00 0.00 N ATOM 736 CA ALA A 52 -1.912 -10.438 -10.761 1.00 0.00 C ATOM 737 C ALA A 52 -1.455 -9.545 -11.916 1.00 0.00 C ATOM 738 O ALA A 52 -1.925 -9.693 -13.043 1.00 0.00 O ATOM 739 CB ALA A 52 -2.787 -9.689 -9.754 1.00 0.00 C ATOM 0 H ALA A 52 -0.619 -10.651 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.517 -11.240 -11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.661 -9.282 -10.263 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.110 -10.375 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.215 -8.875 -9.309 1.00 0.00 H new ATOM 745 N GLY A 53 -0.545 -8.637 -11.595 1.00 0.00 N ATOM 746 CA GLY A 53 -0.020 -7.719 -12.592 1.00 0.00 C ATOM 747 C GLY A 53 0.045 -6.293 -12.043 1.00 0.00 C ATOM 748 O GLY A 53 -0.321 -5.342 -12.732 1.00 0.00 O ATOM 0 H GLY A 53 -0.158 -8.517 -10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.975 -8.040 -12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.651 -7.742 -13.481 1.00 0.00 H new ATOM 752 N ALA A 54 0.514 -6.188 -10.809 1.00 0.00 N ATOM 753 CA ALA A 54 0.632 -4.894 -10.160 1.00 0.00 C ATOM 754 C ALA A 54 2.105 -4.482 -10.115 1.00 0.00 C ATOM 755 O ALA A 54 2.990 -5.305 -10.345 1.00 0.00 O ATOM 756 CB ALA A 54 0.003 -4.961 -8.767 1.00 0.00 C ATOM 0 H ALA A 54 0.817 -6.979 -10.241 1.00 0.00 H new ATOM 0 HA ALA A 54 0.094 -4.132 -10.724 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.092 -3.990 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.050 -5.227 -8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.519 -5.714 -8.171 1.00 0.00 H new ATOM 762 N LYS A 55 2.323 -3.210 -9.817 1.00 0.00 N ATOM 763 CA LYS A 55 3.673 -2.679 -9.740 1.00 0.00 C ATOM 764 C LYS A 55 3.803 -1.807 -8.489 1.00 0.00 C ATOM 765 O LYS A 55 2.804 -1.478 -7.852 1.00 0.00 O ATOM 766 CB LYS A 55 4.040 -1.954 -11.036 1.00 0.00 C ATOM 767 CG LYS A 55 3.319 -0.608 -11.134 1.00 0.00 C ATOM 768 CD LYS A 55 4.292 0.507 -11.526 1.00 0.00 C ATOM 769 CE LYS A 55 3.808 1.240 -12.779 1.00 0.00 C ATOM 770 NZ LYS A 55 4.930 1.452 -13.720 1.00 0.00 N ATOM 0 H LYS A 55 1.586 -2.531 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 55 4.395 -3.489 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.118 -1.797 -11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.776 -2.575 -11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.518 -0.673 -11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.853 -0.370 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.392 1.214 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.281 0.085 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.022 0.662 -13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.372 2.200 -12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.585 1.951 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.667 2.022 -13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.328 0.532 -13.999 1.00 0.00 H new ATOM 784 N GLU A 56 5.042 -1.458 -8.176 1.00 0.00 N ATOM 785 CA GLU A 56 5.315 -0.630 -7.014 1.00 0.00 C ATOM 786 C GLU A 56 4.937 0.825 -7.298 1.00 0.00 C ATOM 787 O GLU A 56 4.899 1.246 -8.453 1.00 0.00 O ATOM 788 CB GLU A 56 6.781 -0.744 -6.592 1.00 0.00 C ATOM 789 CG GLU A 56 6.899 -1.066 -5.101 1.00 0.00 C ATOM 790 CD GLU A 56 7.785 -0.044 -4.387 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.018 -0.135 -4.571 1.00 0.00 O ATOM 792 OE2 GLU A 56 7.209 0.806 -3.673 1.00 0.00 O ATOM 0 H GLU A 56 5.868 -1.734 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 56 4.704 -0.988 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.272 -1.523 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.299 0.190 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.908 -1.073 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.315 -2.065 -4.973 1.00 0.00 H new ATOM 799 N GLY A 57 4.668 1.554 -6.224 1.00 0.00 N ATOM 800 CA GLY A 57 4.295 2.953 -6.344 1.00 0.00 C ATOM 801 C GLY A 57 2.866 3.097 -6.870 1.00 0.00 C ATOM 802 O GLY A 57 2.468 4.174 -7.311 1.00 0.00 O ATOM 0 H GLY A 57 4.701 1.202 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.379 3.440 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.987 3.461 -7.016 1.00 0.00 H new ATOM 806 N ASP A 58 2.133 1.995 -6.807 1.00 0.00 N ATOM 807 CA ASP A 58 0.756 1.984 -7.272 1.00 0.00 C ATOM 808 C ASP A 58 -0.145 2.595 -6.197 1.00 0.00 C ATOM 809 O ASP A 58 -0.021 2.266 -5.018 1.00 0.00 O ATOM 810 CB ASP A 58 0.275 0.556 -7.537 1.00 0.00 C ATOM 811 CG ASP A 58 0.648 -0.007 -8.910 1.00 0.00 C ATOM 812 OD1 ASP A 58 0.994 0.815 -9.786 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.578 -1.247 -9.053 1.00 0.00 O ATOM 0 H ASP A 58 2.467 1.103 -6.441 1.00 0.00 H new ATOM 0 HA ASP A 58 0.708 2.558 -8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.686 -0.098 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.810 0.528 -7.432 1.00 0.00 H new ATOM 818 N TYR A 59 -1.032 3.472 -6.642 1.00 0.00 N ATOM 819 CA TYR A 59 -1.954 4.132 -5.733 1.00 0.00 C ATOM 820 C TYR A 59 -3.374 3.587 -5.902 1.00 0.00 C ATOM 821 O TYR A 59 -4.009 3.809 -6.932 1.00 0.00 O ATOM 822 CB TYR A 59 -1.939 5.612 -6.117 1.00 0.00 C ATOM 823 CG TYR A 59 -0.555 6.261 -6.042 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.394 5.974 -7.001 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.257 7.133 -5.014 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.697 6.584 -6.930 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.046 7.743 -4.944 1.00 0.00 C ATOM 828 CZ TYR A 59 1.958 7.438 -5.905 1.00 0.00 C ATOM 829 OH TYR A 59 3.188 8.015 -5.838 1.00 0.00 O ATOM 0 H TYR A 59 -1.132 3.741 -7.621 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.656 3.967 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.324 5.717 -7.131 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.619 6.154 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.160 5.292 -7.805 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.000 7.358 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.449 6.368 -7.674 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.293 8.427 -4.146 1.00 0.00 H new ATOM 0 HH TYR A 59 3.775 7.470 -5.273 1.00 0.00 H new ATOM 839 N ILE A 60 -3.831 2.886 -4.875 1.00 0.00 N ATOM 840 CA ILE A 60 -5.164 2.309 -4.897 1.00 0.00 C ATOM 841 C ILE A 60 -6.199 3.429 -5.017 1.00 0.00 C ATOM 842 O ILE A 60 -6.103 4.443 -4.327 1.00 0.00 O ATOM 843 CB ILE A 60 -5.376 1.404 -3.682 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.344 0.274 -3.652 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.810 0.871 -3.637 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.296 -0.389 -2.274 1.00 0.00 C ATOM 0 H ILE A 60 -3.302 2.705 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.286 1.667 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.226 2.001 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.592 -0.470 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.360 0.669 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.933 0.231 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.507 1.707 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.013 0.295 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.555 -1.188 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.024 0.352 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.275 -0.804 -2.036 1.00 0.00 H new ATOM 858 N VAL A 61 -7.163 3.209 -5.898 1.00 0.00 N ATOM 859 CA VAL A 61 -8.215 4.188 -6.117 1.00 0.00 C ATOM 860 C VAL A 61 -9.564 3.574 -5.737 1.00 0.00 C ATOM 861 O VAL A 61 -10.422 4.253 -5.174 1.00 0.00 O ATOM 862 CB VAL A 61 -8.171 4.688 -7.562 1.00 0.00 C ATOM 863 CG1 VAL A 61 -7.126 5.793 -7.729 1.00 0.00 C ATOM 864 CG2 VAL A 61 -7.910 3.535 -8.533 1.00 0.00 C ATOM 0 H VAL A 61 -7.238 2.367 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.064 5.060 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.147 5.112 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.116 6.130 -8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.375 6.631 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.142 5.406 -7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.884 3.918 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.954 3.069 -8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.706 2.796 -8.443 1.00 0.00 H new ATOM 874 N SER A 62 -9.709 2.298 -6.060 1.00 0.00 N ATOM 875 CA SER A 62 -10.940 1.585 -5.759 1.00 0.00 C ATOM 876 C SER A 62 -10.654 0.090 -5.603 1.00 0.00 C ATOM 877 O SER A 62 -9.611 -0.395 -6.039 1.00 0.00 O ATOM 878 CB SER A 62 -11.989 1.814 -6.849 1.00 0.00 C ATOM 879 OG SER A 62 -12.725 3.016 -6.637 1.00 0.00 O ATOM 0 H SER A 62 -8.995 1.739 -6.527 1.00 0.00 H new ATOM 0 HA SER A 62 -11.339 1.972 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.498 1.856 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.676 0.968 -6.875 1.00 0.00 H new ATOM 0 HG SER A 62 -13.493 2.831 -6.057 1.00 0.00 H new ATOM 885 N ILE A 63 -11.599 -0.598 -4.981 1.00 0.00 N ATOM 886 CA ILE A 63 -11.462 -2.028 -4.762 1.00 0.00 C ATOM 887 C ILE A 63 -12.840 -2.688 -4.850 1.00 0.00 C ATOM 888 O ILE A 63 -13.645 -2.578 -3.926 1.00 0.00 O ATOM 889 CB ILE A 63 -10.733 -2.301 -3.445 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.327 -1.698 -3.461 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.710 -3.799 -3.131 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.559 -2.063 -2.189 1.00 0.00 C ATOM 0 H ILE A 63 -12.463 -0.192 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.844 -2.475 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.284 -1.812 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.783 -2.058 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.393 -0.614 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.186 -3.965 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.732 -4.169 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.196 -4.331 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.563 -1.622 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.093 -1.681 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.473 -3.147 -2.114 1.00 0.00 H new ATOM 904 N GLN A 64 -13.069 -3.358 -5.970 1.00 0.00 N ATOM 905 CA GLN A 64 -14.336 -4.035 -6.191 1.00 0.00 C ATOM 906 C GLN A 64 -15.460 -3.012 -6.367 1.00 0.00 C ATOM 907 O GLN A 64 -16.603 -3.270 -5.991 1.00 0.00 O ATOM 908 CB GLN A 64 -14.648 -5.001 -5.046 1.00 0.00 C ATOM 909 CG GLN A 64 -14.572 -6.454 -5.519 1.00 0.00 C ATOM 910 CD GLN A 64 -15.838 -6.850 -6.280 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.541 -6.025 -6.840 1.00 0.00 O ATOM 912 NE2 GLN A 64 -16.090 -8.156 -6.268 1.00 0.00 N ATOM 0 H GLN A 64 -12.399 -3.447 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.258 -4.622 -7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.943 -4.843 -4.230 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.643 -4.795 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.701 -6.586 -6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.438 -7.113 -4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.460 -8.793 -5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.913 -8.521 -6.747 1.00 0.00 H new ATOM 921 N GLY A 65 -15.098 -1.874 -6.941 1.00 0.00 N ATOM 922 CA GLY A 65 -16.062 -0.812 -7.172 1.00 0.00 C ATOM 923 C GLY A 65 -16.073 0.181 -6.008 1.00 0.00 C ATOM 924 O GLY A 65 -16.594 1.288 -6.137 1.00 0.00 O ATOM 0 H GLY A 65 -14.150 -1.664 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.819 -0.290 -8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.056 -1.240 -7.299 1.00 0.00 H new ATOM 928 N VAL A 66 -15.493 -0.251 -4.898 1.00 0.00 N ATOM 929 CA VAL A 66 -15.430 0.586 -3.712 1.00 0.00 C ATOM 930 C VAL A 66 -14.388 1.686 -3.924 1.00 0.00 C ATOM 931 O VAL A 66 -13.521 1.566 -4.788 1.00 0.00 O ATOM 932 CB VAL A 66 -15.150 -0.274 -2.478 1.00 0.00 C ATOM 933 CG1 VAL A 66 -14.897 0.598 -1.247 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.292 -1.261 -2.226 1.00 0.00 C ATOM 0 H VAL A 66 -15.062 -1.170 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.388 1.075 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.246 -0.851 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.701 -0.039 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.035 1.241 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.774 1.214 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.067 -1.860 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.219 -0.711 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.404 -1.916 -3.090 1.00 0.00 H new ATOM 944 N ASP A 67 -14.507 2.732 -3.120 1.00 0.00 N ATOM 945 CA ASP A 67 -13.586 3.852 -3.209 1.00 0.00 C ATOM 946 C ASP A 67 -12.382 3.591 -2.301 1.00 0.00 C ATOM 947 O ASP A 67 -12.544 3.175 -1.155 1.00 0.00 O ATOM 948 CB ASP A 67 -14.251 5.151 -2.749 1.00 0.00 C ATOM 949 CG ASP A 67 -13.286 6.243 -2.284 1.00 0.00 C ATOM 950 OD1 ASP A 67 -12.251 6.413 -2.963 1.00 0.00 O ATOM 951 OD2 ASP A 67 -13.605 6.883 -1.258 1.00 0.00 O ATOM 0 H ASP A 67 -15.227 2.828 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.279 3.953 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.852 5.544 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.936 4.921 -1.933 1.00 0.00 H new ATOM 956 N CYS A 68 -11.202 3.845 -2.847 1.00 0.00 N ATOM 957 CA CYS A 68 -9.973 3.642 -2.100 1.00 0.00 C ATOM 958 C CYS A 68 -8.968 4.715 -2.528 1.00 0.00 C ATOM 959 O CYS A 68 -7.764 4.467 -2.555 1.00 0.00 O ATOM 960 CB CYS A 68 -9.418 2.230 -2.297 1.00 0.00 C ATOM 961 SG CYS A 68 -10.408 1.029 -1.334 1.00 0.00 S ATOM 0 H CYS A 68 -11.071 4.190 -3.798 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.173 3.737 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.439 1.966 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.376 2.192 -1.980 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.602 1.505 -1.143 1.00 0.00 H new ATOM 967 N LYS A 69 -9.501 5.883 -2.853 1.00 0.00 N ATOM 968 CA LYS A 69 -8.667 6.994 -3.278 1.00 0.00 C ATOM 969 C LYS A 69 -8.536 7.997 -2.130 1.00 0.00 C ATOM 970 O LYS A 69 -7.535 8.705 -2.031 1.00 0.00 O ATOM 971 CB LYS A 69 -9.209 7.607 -4.571 1.00 0.00 C ATOM 972 CG LYS A 69 -8.165 8.513 -5.228 1.00 0.00 C ATOM 973 CD LYS A 69 -8.836 9.636 -6.021 1.00 0.00 C ATOM 974 CE LYS A 69 -9.702 9.070 -7.148 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.009 9.200 -8.450 1.00 0.00 N ATOM 0 H LYS A 69 -10.501 6.084 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.661 6.646 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.494 6.814 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.110 8.181 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.516 8.940 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.532 7.923 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.451 10.240 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.075 10.296 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.925 8.021 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.655 9.598 -7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.611 8.811 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.818 10.204 -8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.111 8.676 -8.419 1.00 0.00 H new ATOM 989 N TRP A 70 -9.561 8.025 -1.291 1.00 0.00 N ATOM 990 CA TRP A 70 -9.572 8.929 -0.154 1.00 0.00 C ATOM 991 C TRP A 70 -9.368 8.096 1.114 1.00 0.00 C ATOM 992 O TRP A 70 -8.975 8.626 2.152 1.00 0.00 O ATOM 993 CB TRP A 70 -10.859 9.757 -0.124 1.00 0.00 C ATOM 994 CG TRP A 70 -11.276 10.306 -1.490 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.962 9.681 -2.456 1.00 0.00 C ATOM 996 CD2 TRP A 70 -11.005 11.627 -2.004 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.152 10.498 -3.552 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.552 11.720 -3.268 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.321 12.708 -1.421 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.471 12.874 -4.056 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.249 13.855 -2.221 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.794 13.964 -3.495 1.00 0.00 C ATOM 0 H TRP A 70 -10.390 7.436 -1.376 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.761 9.654 -0.230 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.667 9.141 0.271 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.727 10.590 0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.321 8.665 -2.386 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.642 10.251 -4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.885 12.658 -0.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.907 12.921 -5.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.734 14.715 -1.820 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.696 14.885 -4.050 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.645 6.807 0.988 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.497 5.896 2.110 1.00 0.00 C ATOM 1015 C LEU A 71 -8.036 5.889 2.566 1.00 0.00 C ATOM 1016 O LEU A 71 -7.131 6.111 1.763 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.036 4.510 1.751 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.551 4.408 1.564 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.001 2.946 1.525 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.291 5.207 2.638 1.00 0.00 C ATOM 0 H LEU A 71 -9.971 6.371 0.125 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.094 6.234 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.553 4.181 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.739 3.812 2.534 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.807 4.850 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.082 2.901 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.511 2.437 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.731 2.457 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.366 5.118 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.034 4.818 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.001 6.256 2.575 1.00 0.00 H new ATOM 1032 N THR A 72 -7.852 5.631 3.852 1.00 0.00 N ATOM 1033 CA THR A 72 -6.517 5.591 4.424 1.00 0.00 C ATOM 1034 C THR A 72 -5.902 4.201 4.246 1.00 0.00 C ATOM 1035 O THR A 72 -6.357 3.419 3.414 1.00 0.00 O ATOM 1036 CB THR A 72 -6.615 6.030 5.886 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.486 5.070 6.479 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.358 7.357 6.050 1.00 0.00 C ATOM 0 H THR A 72 -8.605 5.447 4.515 1.00 0.00 H new ATOM 0 HA THR A 72 -5.845 6.277 3.909 1.00 0.00 H new ATOM 0 HB THR A 72 -5.613 6.120 6.306 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.069 5.515 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.399 7.623 7.106 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.834 8.138 5.500 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.371 7.257 5.661 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.876 3.937 5.043 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.194 2.656 4.984 1.00 0.00 C ATOM 1048 C VAL A 73 -5.052 1.594 5.674 1.00 0.00 C ATOM 1049 O VAL A 73 -5.135 0.459 5.208 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.794 2.780 5.590 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.121 1.410 5.700 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.931 3.752 4.784 1.00 0.00 C ATOM 0 H VAL A 73 -4.501 4.589 5.732 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.059 2.343 3.949 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.900 3.183 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.128 1.526 6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.721 0.760 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.034 0.967 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.942 3.821 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.837 3.392 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.398 4.737 4.781 1.00 0.00 H new ATOM 1062 N SER A 74 -5.669 2.001 6.774 1.00 0.00 N ATOM 1063 CA SER A 74 -6.519 1.098 7.532 1.00 0.00 C ATOM 1064 C SER A 74 -7.794 0.793 6.744 1.00 0.00 C ATOM 1065 O SER A 74 -8.099 -0.367 6.474 1.00 0.00 O ATOM 1066 CB SER A 74 -6.868 1.690 8.899 1.00 0.00 C ATOM 1067 OG SER A 74 -7.431 0.716 9.774 1.00 0.00 O ATOM 0 H SER A 74 -5.597 2.943 7.158 1.00 0.00 H new ATOM 0 HA SER A 74 -5.972 0.170 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.970 2.109 9.353 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.573 2.511 8.769 1.00 0.00 H new ATOM 0 HG SER A 74 -7.639 1.132 10.637 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.506 1.856 6.398 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.741 1.717 5.646 1.00 0.00 C ATOM 1075 C GLU A 75 -9.571 0.681 4.533 1.00 0.00 C ATOM 1076 O GLU A 75 -10.174 -0.390 4.579 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.193 3.064 5.079 1.00 0.00 C ATOM 1078 CG GLU A 75 -10.984 3.860 6.119 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.251 5.150 6.494 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.244 6.066 5.644 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -9.716 5.190 7.623 1.00 0.00 O ATOM 0 H GLU A 75 -8.251 2.817 6.625 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.519 1.367 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.323 3.639 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.809 2.902 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.972 4.100 5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.136 3.251 7.010 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.748 1.038 3.558 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.491 0.153 2.434 1.00 0.00 C ATOM 1090 C VAL A 76 -8.256 -1.267 2.953 1.00 0.00 C ATOM 1091 O VAL A 76 -8.998 -2.187 2.611 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.322 0.687 1.604 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.895 -0.327 0.541 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.672 2.034 0.968 1.00 0.00 C ATOM 0 H VAL A 76 -8.250 1.928 3.523 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.354 0.118 1.770 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.478 0.843 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.063 0.078 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.585 -1.253 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.733 -0.529 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.824 2.392 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.538 1.915 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.904 2.757 1.750 1.00 0.00 H new ATOM 1104 N MET A 77 -7.220 -1.402 3.768 1.00 0.00 N ATOM 1105 CA MET A 77 -6.878 -2.694 4.337 1.00 0.00 C ATOM 1106 C MET A 77 -8.137 -3.472 4.727 1.00 0.00 C ATOM 1107 O MET A 77 -8.412 -4.534 4.171 1.00 0.00 O ATOM 1108 CB MET A 77 -5.999 -2.492 5.572 1.00 0.00 C ATOM 1109 CG MET A 77 -4.515 -2.583 5.210 1.00 0.00 C ATOM 1110 SD MET A 77 -4.149 -4.194 4.534 1.00 0.00 S ATOM 1111 CE MET A 77 -2.871 -3.757 3.366 1.00 0.00 C ATOM 0 H MET A 77 -6.606 -0.637 4.048 1.00 0.00 H new ATOM 0 HA MET A 77 -6.337 -3.269 3.586 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.209 -1.520 6.017 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.241 -3.245 6.322 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.261 -1.809 4.486 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.905 -2.404 6.095 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.222 -4.617 3.198 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.327 -3.457 2.423 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.282 -2.930 3.764 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.867 -2.913 5.681 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.089 -3.540 6.153 1.00 0.00 C ATOM 1123 C LYS A 78 -10.982 -3.872 4.955 1.00 0.00 C ATOM 1124 O LYS A 78 -11.680 -4.885 4.959 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.772 -2.662 7.204 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.435 -3.137 8.618 1.00 0.00 C ATOM 1127 CD LYS A 78 -10.614 -2.007 9.634 1.00 0.00 C ATOM 1128 CE LYS A 78 -11.886 -2.209 10.460 1.00 0.00 C ATOM 1129 NZ LYS A 78 -12.356 -0.919 11.013 1.00 0.00 N ATOM 0 H LYS A 78 -8.635 -2.032 6.140 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.864 -4.481 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.455 -1.626 7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.852 -2.685 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.077 -3.977 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.407 -3.499 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.749 -1.968 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.662 -1.050 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.665 -2.650 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.692 -2.910 11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.220 -1.075 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.618 -0.514 11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.561 -0.261 10.234 1.00 0.00 H new ATOM 1143 N LEU A 79 -10.930 -3.000 3.960 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.725 -3.187 2.758 1.00 0.00 C ATOM 1145 C LEU A 79 -11.207 -4.407 1.994 1.00 0.00 C ATOM 1146 O LEU A 79 -11.969 -5.082 1.304 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.748 -1.904 1.925 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.110 -1.496 1.359 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.374 -0.006 1.586 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.228 -1.881 -0.117 1.00 0.00 C ATOM 0 H LEU A 79 -10.349 -2.161 3.961 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.764 -3.390 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.374 -1.087 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.052 -2.021 1.094 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.882 -2.045 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.348 0.258 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.362 0.207 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.600 0.580 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.205 -1.580 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.448 -1.378 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.115 -2.960 -0.222 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.914 -4.654 2.144 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.285 -5.781 1.477 1.00 0.00 C ATOM 1164 C LEU A 80 -9.610 -7.066 2.240 1.00 0.00 C ATOM 1165 O LEU A 80 -10.000 -8.067 1.640 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.785 -5.532 1.304 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.339 -5.060 -0.082 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.893 -4.561 -0.052 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.545 -6.157 -1.128 1.00 0.00 C ATOM 0 H LEU A 80 -9.285 -4.093 2.718 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.684 -5.898 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.473 -4.788 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.254 -6.454 1.540 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.965 -4.217 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.601 -4.232 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.810 -3.727 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.236 -5.369 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.220 -5.795 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.961 -7.035 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.601 -6.423 -1.173 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.439 -6.997 3.552 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.710 -8.143 4.403 1.00 0.00 C ATOM 1183 C LYS A 81 -11.107 -8.685 4.093 1.00 0.00 C ATOM 1184 O LYS A 81 -11.272 -9.877 3.836 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.506 -7.778 5.875 1.00 0.00 C ATOM 1186 CG LYS A 81 -8.032 -7.896 6.269 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.124 -7.335 5.173 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.652 -7.432 5.577 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.371 -6.548 6.730 1.00 0.00 N ATOM 0 H LYS A 81 -9.116 -6.165 4.046 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.002 -8.946 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.853 -6.760 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.108 -8.435 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.857 -7.359 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.784 -8.941 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.287 -7.883 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.383 -6.294 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.406 -8.463 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.019 -7.153 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.648 -5.849 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.243 -6.055 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.024 -7.118 7.528 1.00 0.00 H new ATOM 1203 N SER A 82 -12.078 -7.784 4.126 1.00 0.00 N ATOM 1204 CA SER A 82 -13.455 -8.156 3.851 1.00 0.00 C ATOM 1205 C SER A 82 -13.514 -9.077 2.631 1.00 0.00 C ATOM 1206 O SER A 82 -14.312 -10.013 2.594 1.00 0.00 O ATOM 1207 CB SER A 82 -14.326 -6.918 3.625 1.00 0.00 C ATOM 1208 OG SER A 82 -15.693 -7.259 3.416 1.00 0.00 O ATOM 0 H SER A 82 -11.938 -6.796 4.339 1.00 0.00 H new ATOM 0 HA SER A 82 -13.846 -8.687 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.245 -6.256 4.487 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.954 -6.365 2.762 1.00 0.00 H new ATOM 0 HG SER A 82 -16.216 -6.442 3.277 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.660 -8.780 1.663 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.605 -9.570 0.445 1.00 0.00 C ATOM 1216 C PHE A 83 -11.471 -10.595 0.506 1.00 0.00 C ATOM 1217 O PHE A 83 -10.796 -10.841 -0.493 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.337 -8.599 -0.706 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.367 -7.474 -0.823 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.694 -7.751 -0.710 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -12.956 -6.196 -1.041 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.650 -6.707 -0.818 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -13.912 -5.151 -1.149 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.239 -5.429 -1.036 1.00 0.00 C ATOM 0 H PHE A 83 -12.000 -8.003 1.697 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.541 -10.112 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.348 -8.160 -0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.316 -9.158 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.021 -8.766 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.903 -5.976 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.703 -6.928 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.586 -4.136 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.966 -4.635 -1.119 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.295 -11.166 1.689 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.253 -12.158 1.894 1.00 0.00 C ATOM 1236 C GLY A 84 -10.604 -13.473 1.195 1.00 0.00 C ATOM 1237 O GLY A 84 -11.676 -14.034 1.421 1.00 0.00 O ATOM 0 H GLY A 84 -11.857 -10.960 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.305 -11.780 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.118 -12.334 2.961 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.681 -13.928 0.361 1.00 0.00 N ATOM 1242 CA GLY A 85 -9.880 -15.166 -0.373 1.00 0.00 C ATOM 1243 C GLY A 85 -11.023 -15.030 -1.380 1.00 0.00 C ATOM 1244 O GLY A 85 -11.737 -15.995 -1.648 1.00 0.00 O ATOM 0 H GLY A 85 -8.793 -13.461 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.961 -15.435 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.099 -15.975 0.324 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.162 -13.824 -1.910 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.207 -13.549 -2.881 1.00 0.00 C ATOM 1250 C GLU A 86 -11.653 -12.705 -4.032 1.00 0.00 C ATOM 1251 O GLU A 86 -11.113 -11.623 -3.809 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.402 -12.858 -2.221 1.00 0.00 C ATOM 1253 CG GLU A 86 -13.990 -13.727 -1.108 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.520 -13.706 -1.146 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.086 -12.714 -0.637 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.088 -14.681 -1.682 1.00 0.00 O ATOM 0 H GLU A 86 -10.568 -13.026 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.557 -14.498 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.091 -11.897 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.167 -12.652 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.634 -14.752 -1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.642 -13.368 -0.139 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.806 -13.233 -5.237 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.329 -12.542 -6.423 1.00 0.00 C ATOM 1265 C GLU A 87 -11.958 -11.151 -6.516 1.00 0.00 C ATOM 1266 O GLU A 87 -13.170 -11.023 -6.681 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.613 -13.358 -7.685 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.392 -13.388 -8.606 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.413 -14.625 -9.506 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.492 -14.891 -10.079 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -9.351 -15.278 -9.599 1.00 0.00 O ATOM 0 H GLU A 87 -12.254 -14.131 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.248 -12.426 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.890 -14.376 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.463 -12.929 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.373 -12.488 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.481 -13.385 -8.008 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.106 -10.142 -6.407 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.563 -8.765 -6.476 1.00 0.00 C ATOM 1280 C VAL A 88 -10.841 -8.049 -7.620 1.00 0.00 C ATOM 1281 O VAL A 88 -9.831 -8.539 -8.124 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.366 -8.079 -5.123 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.037 -8.875 -4.002 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -9.881 -7.862 -4.829 1.00 0.00 C ATOM 0 H VAL A 88 -10.101 -10.251 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.631 -8.728 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.844 -7.100 -5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.882 -8.366 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.106 -8.954 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.602 -9.873 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.769 -7.373 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.369 -8.824 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.444 -7.234 -5.606 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.386 -6.902 -7.996 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.806 -6.114 -9.070 1.00 0.00 C ATOM 1296 C GLU A 89 -10.206 -4.821 -8.516 1.00 0.00 C ATOM 1297 O GLU A 89 -10.931 -3.871 -8.222 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.845 -5.816 -10.154 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.279 -6.099 -11.547 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.358 -5.933 -12.620 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -12.521 -4.786 -13.089 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.995 -6.958 -12.947 1.00 0.00 O ATOM 0 H GLU A 89 -12.224 -6.499 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.006 -6.695 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.734 -6.424 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.156 -4.773 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.450 -5.421 -11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.879 -7.112 -11.582 1.00 0.00 H new ATOM 1309 N MET A 90 -8.887 -4.825 -8.389 1.00 0.00 N ATOM 1310 CA MET A 90 -8.181 -3.663 -7.875 1.00 0.00 C ATOM 1311 C MET A 90 -7.752 -2.735 -9.013 1.00 0.00 C ATOM 1312 O MET A 90 -7.372 -3.198 -10.087 1.00 0.00 O ATOM 1313 CB MET A 90 -6.947 -4.120 -7.095 1.00 0.00 C ATOM 1314 CG MET A 90 -6.241 -2.931 -6.441 1.00 0.00 C ATOM 1315 SD MET A 90 -5.346 -3.472 -4.995 1.00 0.00 S ATOM 1316 CE MET A 90 -4.237 -4.655 -5.741 1.00 0.00 C ATOM 0 H MET A 90 -8.289 -5.614 -8.633 1.00 0.00 H new ATOM 0 HA MET A 90 -8.854 -3.113 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.241 -4.839 -6.330 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.258 -4.633 -7.766 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.555 -2.469 -7.151 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.972 -2.171 -6.163 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.100 -5.501 -5.067 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.659 -5.006 -6.682 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.273 -4.182 -5.930 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.827 -1.441 -8.738 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.450 -0.443 -9.725 1.00 0.00 C ATOM 1328 C LYS A 91 -6.391 0.485 -9.128 1.00 0.00 C ATOM 1329 O LYS A 91 -6.547 0.972 -8.009 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.688 0.290 -10.244 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.359 -0.496 -11.372 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.870 -0.591 -11.152 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.277 -2.008 -10.744 1.00 0.00 C ATOM 1334 NZ LYS A 91 -12.676 -2.026 -10.259 1.00 0.00 N ATOM 0 H LYS A 91 -8.143 -1.061 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.001 -0.920 -10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.396 0.438 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.405 1.279 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.157 -0.012 -12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.932 -1.498 -11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.174 0.115 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.393 -0.308 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.172 -2.682 -11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.610 -2.374 -9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.784 -2.768 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.911 -1.103 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.317 -2.220 -11.055 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.337 0.702 -9.900 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.252 1.563 -9.461 1.00 0.00 C ATOM 1350 C VAL A 92 -3.908 2.552 -10.577 1.00 0.00 C ATOM 1351 O VAL A 92 -4.270 2.339 -11.733 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.055 0.716 -9.024 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.438 -0.224 -7.879 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.477 -0.066 -10.205 1.00 0.00 C ATOM 0 H VAL A 92 -5.211 0.296 -10.827 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.556 2.146 -8.591 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.282 1.392 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.570 -0.815 -7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.781 0.362 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.236 -0.890 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.628 -0.660 -9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.242 -0.726 -10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.149 0.630 -10.977 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.214 3.613 -10.191 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.818 4.635 -11.144 1.00 0.00 C ATOM 1366 C VAL A 93 -1.397 5.104 -10.822 1.00 0.00 C ATOM 1367 O VAL A 93 -1.041 5.260 -9.655 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.838 5.776 -11.143 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.012 5.462 -12.073 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.327 6.072 -9.723 1.00 0.00 C ATOM 0 H VAL A 93 -2.916 3.787 -9.231 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.805 4.229 -12.155 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.342 6.670 -11.520 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.722 6.289 -12.054 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.644 5.323 -13.090 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.507 4.550 -11.739 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.051 6.887 -9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.798 5.181 -9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.481 6.359 -9.099 1.00 0.00 H new ATOM 1380 N SER A 94 -0.625 5.315 -11.877 1.00 0.00 N ATOM 1381 CA SER A 94 0.749 5.762 -11.721 1.00 0.00 C ATOM 1382 C SER A 94 0.794 7.288 -11.617 1.00 0.00 C ATOM 1383 O SER A 94 0.134 7.986 -12.385 1.00 0.00 O ATOM 1384 CB SER A 94 1.619 5.284 -12.885 1.00 0.00 C ATOM 1385 OG SER A 94 1.139 4.066 -13.446 1.00 0.00 O ATOM 0 H SER A 94 -0.924 5.185 -12.843 1.00 0.00 H new ATOM 0 HA SER A 94 1.147 5.329 -10.803 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.646 6.053 -13.657 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.643 5.145 -12.539 1.00 0.00 H new ATOM 0 HG SER A 94 1.721 3.796 -14.187 1.00 0.00 H new ATOM 1391 N LEU A 95 1.578 7.761 -10.659 1.00 0.00 N ATOM 1392 CA LEU A 95 1.718 9.191 -10.444 1.00 0.00 C ATOM 1393 C LEU A 95 2.752 9.751 -11.422 1.00 0.00 C ATOM 1394 O LEU A 95 3.853 9.215 -11.542 1.00 0.00 O ATOM 1395 CB LEU A 95 2.037 9.484 -8.977 1.00 0.00 C ATOM 1396 CG LEU A 95 1.202 10.581 -8.315 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.188 10.417 -6.794 1.00 0.00 C ATOM 1398 CD2 LEU A 95 1.686 11.970 -8.737 1.00 0.00 C ATOM 0 H LEU A 95 2.123 7.179 -10.023 1.00 0.00 H new ATOM 0 HA LEU A 95 0.776 9.701 -10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.909 8.564 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.089 9.761 -8.903 1.00 0.00 H new ATOM 0 HG LEU A 95 0.173 10.481 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.587 11.210 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.759 9.448 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.207 10.476 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.075 12.731 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.727 12.098 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.601 12.072 -9.819 1.00 0.00 H new ATOM 1410 N LEU A 96 2.363 10.823 -12.097 1.00 0.00 N ATOM 1411 CA LEU A 96 3.243 11.461 -13.061 1.00 0.00 C ATOM 1412 C LEU A 96 3.427 12.932 -12.681 1.00 0.00 C ATOM 1413 O LEU A 96 3.021 13.353 -11.599 1.00 0.00 O ATOM 1414 CB LEU A 96 2.719 11.255 -14.484 1.00 0.00 C ATOM 1415 CG LEU A 96 1.998 9.931 -14.747 1.00 0.00 C ATOM 1416 CD1 LEU A 96 1.133 10.020 -16.006 1.00 0.00 C ATOM 1417 CD2 LEU A 96 2.991 8.769 -14.814 1.00 0.00 C ATOM 0 H LEU A 96 1.450 11.266 -11.995 1.00 0.00 H new ATOM 0 HA LEU A 96 4.230 10.999 -13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.036 12.071 -14.720 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.559 11.332 -15.174 1.00 0.00 H new ATOM 0 HG LEU A 96 1.329 9.733 -13.909 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.631 9.066 -16.171 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.388 10.805 -15.881 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.763 10.252 -16.865 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.452 7.840 -15.002 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.703 8.945 -15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.526 8.693 -13.868 1.00 0.00 H new