USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 709 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 44 SER OG : rot 84:sc= 1.26 USER MOD Set 1.2: A 49 GLN : amide:sc= 1.07 K(o=2.9,f=1.8) USER MOD Set 1.3: A 90 LYS NZ :NH3+ 158:sc= -0.636 (180deg=-0.304) USER MOD Set 1.4: A 91 LYS NZ :NH3+ 152:sc= 1.21 (180deg=1.01) USER MOD Single : A 11 THR OG1 : rot -1:sc= 0.763 USER MOD Single : A 17 GLN : amide:sc= -0.0865 X(o=-0.087,f=-0.087) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.019) USER MOD Single : A 40 SER OG : rot -76:sc= 0.947 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.842 K(o=0.84,f=-7.8!) USER MOD Single : A 56 ASN : amide:sc= -0.002 K(o=-0.002,f=-4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.34! C(o=-3.3!,f=-6!) USER MOD Single : A 67 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 160:sc= -1.04 USER MOD Single : A 77 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-6!) USER MOD Single : A 84 THR OG1 : rot 34:sc= 0.93 USER MOD Single : A 92 LYS NZ :NH3+ -149:sc= 0.999 (180deg=0.522) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 TYR OH : rot 100:sc= -0.42 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 11.884 -6.955 1.398 1.00 0.00 N ATOM 145 CA THR A 11 11.532 -8.307 0.993 1.00 0.00 C ATOM 146 C THR A 11 10.418 -8.869 1.875 1.00 0.00 C ATOM 147 O THR A 11 9.888 -8.168 2.718 1.00 0.00 O ATOM 148 CB THR A 11 12.794 -9.194 0.995 1.00 0.00 C ATOM 149 OG1 THR A 11 13.947 -8.518 1.475 1.00 0.00 O ATOM 150 CG2 THR A 11 13.056 -9.644 -0.439 1.00 0.00 C ATOM 0 HA THR A 11 11.139 -8.291 -0.024 1.00 0.00 H new ATOM 0 HB THR A 11 12.610 -10.034 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.715 -7.591 1.694 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.945 -10.274 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.199 -10.210 -0.805 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.211 -8.770 -1.072 1.00 0.00 H new ATOM 158 N ALA A 12 9.997 -10.111 1.671 1.00 0.00 N ATOM 159 CA ALA A 12 8.813 -10.677 2.321 1.00 0.00 C ATOM 160 C ALA A 12 9.005 -10.793 3.818 1.00 0.00 C ATOM 161 O ALA A 12 8.172 -10.301 4.578 1.00 0.00 O ATOM 162 CB ALA A 12 8.476 -12.032 1.702 1.00 0.00 C ATOM 0 H ALA A 12 10.470 -10.763 1.045 1.00 0.00 H new ATOM 0 HA ALA A 12 7.975 -10.000 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.594 -12.446 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.275 -11.906 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.317 -12.712 1.835 1.00 0.00 H new ATOM 168 N ALA A 13 10.111 -11.399 4.238 1.00 0.00 N ATOM 169 CA ALA A 13 10.427 -11.470 5.656 1.00 0.00 C ATOM 170 C ALA A 13 10.607 -10.060 6.226 1.00 0.00 C ATOM 171 O ALA A 13 10.204 -9.778 7.356 1.00 0.00 O ATOM 172 CB ALA A 13 11.698 -12.291 5.846 1.00 0.00 C ATOM 0 H ALA A 13 10.794 -11.842 3.624 1.00 0.00 H new ATOM 0 HA ALA A 13 9.608 -11.951 6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.939 -12.347 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.543 -13.297 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.521 -11.817 5.311 1.00 0.00 H new ATOM 178 N GLU A 14 11.187 -9.166 5.420 1.00 0.00 N ATOM 179 CA GLU A 14 11.541 -7.831 5.845 1.00 0.00 C ATOM 180 C GLU A 14 10.267 -7.001 5.990 1.00 0.00 C ATOM 181 O GLU A 14 10.183 -6.171 6.886 1.00 0.00 O ATOM 182 CB GLU A 14 12.482 -7.247 4.784 1.00 0.00 C ATOM 183 CG GLU A 14 13.198 -5.957 5.204 1.00 0.00 C ATOM 184 CD GLU A 14 14.260 -6.193 6.281 1.00 0.00 C ATOM 185 OE1 GLU A 14 13.920 -6.179 7.483 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.451 -6.365 5.928 1.00 0.00 O ATOM 0 H GLU A 14 11.422 -9.362 4.447 1.00 0.00 H new ATOM 0 HA GLU A 14 12.046 -7.831 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.232 -7.997 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.909 -7.050 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.667 -5.506 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.463 -5.243 5.575 1.00 0.00 H new ATOM 193 N ILE A 15 9.264 -7.239 5.146 1.00 0.00 N ATOM 194 CA ILE A 15 7.971 -6.596 5.153 1.00 0.00 C ATOM 195 C ILE A 15 7.186 -7.118 6.331 1.00 0.00 C ATOM 196 O ILE A 15 6.688 -6.315 7.108 1.00 0.00 O ATOM 197 CB ILE A 15 7.244 -6.800 3.799 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.835 -5.780 2.811 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.715 -6.646 3.907 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.353 -5.949 1.361 1.00 0.00 C ATOM 0 H ILE A 15 9.347 -7.928 4.399 1.00 0.00 H new ATOM 0 HA ILE A 15 8.081 -5.518 5.267 1.00 0.00 H new ATOM 0 HB ILE A 15 7.403 -7.822 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.583 -4.775 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.922 -5.860 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.264 -6.800 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.324 -7.384 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.474 -5.645 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.818 -5.190 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.629 -6.939 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.269 -5.838 1.322 1.00 0.00 H new ATOM 212 N GLU A 16 7.068 -8.430 6.484 1.00 0.00 N ATOM 213 CA GLU A 16 6.285 -8.983 7.578 1.00 0.00 C ATOM 214 C GLU A 16 6.789 -8.480 8.928 1.00 0.00 C ATOM 215 O GLU A 16 5.980 -8.042 9.742 1.00 0.00 O ATOM 216 CB GLU A 16 6.373 -10.497 7.552 1.00 0.00 C ATOM 217 CG GLU A 16 5.558 -11.151 6.427 1.00 0.00 C ATOM 218 CD GLU A 16 4.134 -11.496 6.871 1.00 0.00 C ATOM 219 OE1 GLU A 16 3.368 -10.570 7.222 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.805 -12.708 6.856 1.00 0.00 O ATOM 0 H GLU A 16 7.499 -9.123 5.872 1.00 0.00 H new ATOM 0 HA GLU A 16 5.252 -8.661 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.418 -10.788 7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.029 -10.887 8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.517 -10.477 5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.063 -12.058 6.095 1.00 0.00 H new ATOM 227 N GLN A 17 8.106 -8.512 9.173 1.00 0.00 N ATOM 228 CA GLN A 17 8.668 -8.063 10.440 1.00 0.00 C ATOM 229 C GLN A 17 8.785 -6.535 10.451 1.00 0.00 C ATOM 230 O GLN A 17 8.808 -5.917 11.518 1.00 0.00 O ATOM 231 CB GLN A 17 10.028 -8.751 10.619 1.00 0.00 C ATOM 232 CG GLN A 17 10.648 -8.629 12.019 1.00 0.00 C ATOM 233 CD GLN A 17 9.786 -9.303 13.085 1.00 0.00 C ATOM 234 OE1 GLN A 17 9.445 -10.479 12.978 1.00 0.00 O ATOM 235 NE2 GLN A 17 9.378 -8.595 14.123 1.00 0.00 N ATOM 0 H GLN A 17 8.799 -8.847 8.503 1.00 0.00 H new ATOM 0 HA GLN A 17 8.022 -8.332 11.275 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.915 -9.809 10.381 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.726 -8.333 9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.641 -9.079 12.017 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.776 -7.576 12.269 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.658 -7.619 14.216 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.783 -9.025 14.831 1.00 0.00 H new ATOM 244 N GLY A 18 8.831 -5.916 9.272 1.00 0.00 N ATOM 245 CA GLY A 18 8.991 -4.489 9.083 1.00 0.00 C ATOM 246 C GLY A 18 7.684 -3.746 9.268 1.00 0.00 C ATOM 247 O GLY A 18 7.696 -2.546 9.560 1.00 0.00 O ATOM 0 H GLY A 18 8.754 -6.423 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.728 -4.109 9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.380 -4.296 8.083 1.00 0.00 H new ATOM 251 N PHE A 19 6.560 -4.430 9.065 1.00 0.00 N ATOM 252 CA PHE A 19 5.235 -3.838 9.059 1.00 0.00 C ATOM 253 C PHE A 19 4.290 -4.629 9.957 1.00 0.00 C ATOM 254 O PHE A 19 3.084 -4.400 9.937 1.00 0.00 O ATOM 255 CB PHE A 19 4.778 -3.666 7.608 1.00 0.00 C ATOM 256 CG PHE A 19 5.610 -2.617 6.887 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.219 -1.272 6.937 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.819 -2.958 6.253 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.002 -0.281 6.324 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.627 -1.966 5.671 1.00 0.00 C ATOM 261 CZ PHE A 19 7.213 -0.624 5.697 1.00 0.00 C ATOM 0 H PHE A 19 6.551 -5.436 8.896 1.00 0.00 H new ATOM 0 HA PHE A 19 5.241 -2.839 9.494 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.857 -4.619 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.727 -3.377 7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.310 -0.996 7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.129 -3.992 6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.673 0.748 6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.564 -2.235 5.205 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.822 0.141 5.238 1.00 0.00 H new ATOM 271 N LYS A 20 4.857 -5.459 10.843 1.00 0.00 N ATOM 272 CA LYS A 20 4.199 -6.158 11.946 1.00 0.00 C ATOM 273 C LYS A 20 3.401 -5.210 12.847 1.00 0.00 C ATOM 274 O LYS A 20 2.535 -5.631 13.607 1.00 0.00 O ATOM 275 CB LYS A 20 5.265 -7.040 12.666 1.00 0.00 C ATOM 276 CG LYS A 20 5.757 -6.619 14.065 1.00 0.00 C ATOM 277 CD LYS A 20 4.781 -6.949 15.208 1.00 0.00 C ATOM 278 CE LYS A 20 4.292 -5.675 15.913 1.00 0.00 C ATOM 279 NZ LYS A 20 3.075 -5.901 16.720 1.00 0.00 N ATOM 0 H LYS A 20 5.854 -5.671 10.802 1.00 0.00 H new ATOM 0 HA LYS A 20 3.425 -6.829 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.858 -8.048 12.749 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.137 -7.101 12.015 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.710 -7.109 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.945 -5.545 14.063 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.927 -7.498 14.812 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.272 -7.601 15.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.085 -5.294 16.557 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.091 -4.906 15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.789 -5.010 17.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.308 -6.238 16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.271 -6.614 17.451 1.00 0.00 H new ATOM 293 N ASP A 21 3.645 -3.913 12.728 1.00 0.00 N ATOM 294 CA ASP A 21 3.104 -2.805 13.511 1.00 0.00 C ATOM 295 C ASP A 21 1.679 -2.454 13.072 1.00 0.00 C ATOM 296 O ASP A 21 0.924 -1.876 13.857 1.00 0.00 O ATOM 297 CB ASP A 21 4.023 -1.606 13.228 1.00 0.00 C ATOM 298 CG ASP A 21 3.481 -0.240 13.654 1.00 0.00 C ATOM 299 OD1 ASP A 21 3.664 0.149 14.830 1.00 0.00 O ATOM 300 OD2 ASP A 21 3.015 0.528 12.788 1.00 0.00 O ATOM 0 H ASP A 21 4.288 -3.575 12.012 1.00 0.00 H new ATOM 0 HA ASP A 21 3.064 -3.068 14.568 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.974 -1.773 13.734 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.232 -1.576 12.159 1.00 0.00 H new ATOM 305 N VAL A 22 1.268 -2.851 11.868 1.00 0.00 N ATOM 306 CA VAL A 22 -0.072 -2.655 11.333 1.00 0.00 C ATOM 307 C VAL A 22 -0.576 -4.045 10.897 1.00 0.00 C ATOM 308 O VAL A 22 0.232 -4.975 10.766 1.00 0.00 O ATOM 309 CB VAL A 22 -0.047 -1.588 10.205 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.105 -0.493 10.422 1.00 0.00 C ATOM 311 CG2 VAL A 22 1.298 -0.850 10.032 1.00 0.00 C ATOM 0 H VAL A 22 1.885 -3.336 11.217 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.770 -2.255 12.068 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.244 -2.182 9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.051 0.231 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.097 -0.944 10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.918 0.011 11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.214 -0.126 9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.550 -0.331 10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.081 -1.571 9.796 1.00 0.00 H new ATOM 321 N PRO A 23 -1.891 -4.259 10.711 1.00 0.00 N ATOM 322 CA PRO A 23 -2.370 -5.550 10.276 1.00 0.00 C ATOM 323 C PRO A 23 -2.089 -5.710 8.787 1.00 0.00 C ATOM 324 O PRO A 23 -1.723 -4.771 8.067 1.00 0.00 O ATOM 325 CB PRO A 23 -3.861 -5.568 10.594 1.00 0.00 C ATOM 326 CG PRO A 23 -4.242 -4.123 10.321 1.00 0.00 C ATOM 327 CD PRO A 23 -3.009 -3.333 10.769 1.00 0.00 C ATOM 0 HA PRO A 23 -1.875 -6.382 10.777 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.408 -6.264 9.959 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.058 -5.857 11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.461 -3.959 9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.130 -3.830 10.881 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.838 -2.476 10.118 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.141 -2.945 11.779 1.00 0.00 H new ATOM 335 N SER A 24 -2.344 -6.921 8.330 1.00 0.00 N ATOM 336 CA SER A 24 -2.192 -7.328 6.954 1.00 0.00 C ATOM 337 C SER A 24 -3.544 -7.818 6.444 1.00 0.00 C ATOM 338 O SER A 24 -4.472 -8.023 7.234 1.00 0.00 O ATOM 339 CB SER A 24 -1.071 -8.375 6.847 1.00 0.00 C ATOM 340 OG SER A 24 -1.033 -9.243 7.959 1.00 0.00 O ATOM 0 H SER A 24 -2.675 -7.674 8.933 1.00 0.00 H new ATOM 0 HA SER A 24 -1.889 -6.496 6.319 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.211 -8.960 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.111 -7.867 6.754 1.00 0.00 H new ATOM 0 HG SER A 24 -0.306 -9.890 7.844 1.00 0.00 H new ATOM 346 N PHE A 25 -3.675 -8.014 5.135 1.00 0.00 N ATOM 347 CA PHE A 25 -4.834 -8.618 4.518 1.00 0.00 C ATOM 348 C PHE A 25 -4.335 -9.522 3.407 1.00 0.00 C ATOM 349 O PHE A 25 -3.187 -9.408 2.963 1.00 0.00 O ATOM 350 CB PHE A 25 -5.737 -7.513 3.977 1.00 0.00 C ATOM 351 CG PHE A 25 -7.013 -7.999 3.324 1.00 0.00 C ATOM 352 CD1 PHE A 25 -8.059 -8.509 4.117 1.00 0.00 C ATOM 353 CD2 PHE A 25 -7.155 -7.947 1.924 1.00 0.00 C ATOM 354 CE1 PHE A 25 -9.241 -8.964 3.509 1.00 0.00 C ATOM 355 CE2 PHE A 25 -8.343 -8.390 1.324 1.00 0.00 C ATOM 356 CZ PHE A 25 -9.385 -8.901 2.113 1.00 0.00 C ATOM 0 H PHE A 25 -2.955 -7.747 4.464 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.415 -9.206 5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.997 -6.842 4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.174 -6.926 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.953 -8.550 5.191 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.350 -7.566 1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.040 -9.363 4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.456 -8.338 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.297 -9.245 1.647 1.00 0.00 H new ATOM 366 N VAL A 26 -5.209 -10.400 2.941 1.00 0.00 N ATOM 367 CA VAL A 26 -4.945 -11.338 1.894 1.00 0.00 C ATOM 368 C VAL A 26 -6.184 -11.389 1.017 1.00 0.00 C ATOM 369 O VAL A 26 -7.290 -11.443 1.559 1.00 0.00 O ATOM 370 CB VAL A 26 -4.566 -12.678 2.538 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.725 -13.413 3.215 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.900 -13.594 1.513 1.00 0.00 C ATOM 0 H VAL A 26 -6.159 -10.471 3.307 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.107 -11.059 1.255 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.867 -12.424 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.363 -14.349 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.138 -12.789 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.500 -13.626 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.638 -14.540 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.589 -13.780 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.997 -13.117 1.131 1.00 0.00 H new ATOM 382 N HIS A 27 -6.017 -11.373 -0.306 1.00 0.00 N ATOM 383 CA HIS A 27 -7.105 -11.765 -1.191 1.00 0.00 C ATOM 384 C HIS A 27 -6.716 -13.018 -1.973 1.00 0.00 C ATOM 385 O HIS A 27 -5.631 -13.575 -1.806 1.00 0.00 O ATOM 386 CB HIS A 27 -7.529 -10.583 -2.061 1.00 0.00 C ATOM 387 CG HIS A 27 -6.460 -9.999 -2.943 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.658 -8.924 -3.759 1.00 0.00 N ATOM 389 CD2 HIS A 27 -5.159 -10.400 -3.097 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.512 -8.715 -4.411 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.544 -9.563 -4.026 1.00 0.00 N ATOM 0 H HIS A 27 -5.155 -11.098 -0.778 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.988 -12.036 -0.613 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.360 -10.900 -2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.906 -9.795 -1.410 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.689 -11.226 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.378 -7.951 -5.163 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.575 -9.589 -4.343 1.00 0.00 H new ATOM 399 N GLU A 28 -7.605 -13.484 -2.833 1.00 0.00 N ATOM 400 CA GLU A 28 -7.466 -14.755 -3.527 1.00 0.00 C ATOM 401 C GLU A 28 -6.863 -14.527 -4.914 1.00 0.00 C ATOM 402 O GLU A 28 -7.515 -14.735 -5.938 1.00 0.00 O ATOM 403 CB GLU A 28 -8.796 -15.524 -3.528 1.00 0.00 C ATOM 404 CG GLU A 28 -8.501 -16.975 -3.932 1.00 0.00 C ATOM 405 CD GLU A 28 -9.700 -17.911 -3.932 1.00 0.00 C ATOM 406 OE1 GLU A 28 -10.860 -17.501 -3.698 1.00 0.00 O ATOM 407 OE2 GLU A 28 -9.473 -19.124 -4.145 1.00 0.00 O ATOM 0 H GLU A 28 -8.459 -12.982 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.766 -15.400 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.258 -15.489 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.499 -15.069 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.063 -16.974 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.748 -17.377 -3.254 1.00 0.00 H new ATOM 414 N GLY A 29 -5.600 -14.096 -4.932 1.00 0.00 N ATOM 415 CA GLY A 29 -4.841 -13.897 -6.164 1.00 0.00 C ATOM 416 C GLY A 29 -5.510 -12.856 -7.062 1.00 0.00 C ATOM 417 O GLY A 29 -6.271 -12.023 -6.568 1.00 0.00 O ATOM 0 H GLY A 29 -5.074 -13.875 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.828 -13.576 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.756 -14.843 -6.699 1.00 0.00 H new ATOM 421 N GLY A 30 -5.210 -12.915 -8.363 1.00 0.00 N ATOM 422 CA GLY A 30 -5.916 -12.208 -9.422 1.00 0.00 C ATOM 423 C GLY A 30 -5.647 -10.708 -9.395 1.00 0.00 C ATOM 424 O GLY A 30 -6.153 -10.021 -8.508 1.00 0.00 O ATOM 0 H GLY A 30 -4.437 -13.480 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.615 -12.612 -10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.987 -12.385 -9.323 1.00 0.00 H new ATOM 428 N ASP A 31 -4.879 -10.193 -10.362 1.00 0.00 N ATOM 429 CA ASP A 31 -4.462 -8.787 -10.405 1.00 0.00 C ATOM 430 C ASP A 31 -5.623 -7.836 -10.162 1.00 0.00 C ATOM 431 O ASP A 31 -6.741 -8.103 -10.618 1.00 0.00 O ATOM 432 CB ASP A 31 -3.649 -8.414 -11.653 1.00 0.00 C ATOM 433 CG ASP A 31 -4.490 -8.261 -12.918 1.00 0.00 C ATOM 434 OD1 ASP A 31 -5.045 -7.171 -13.180 1.00 0.00 O ATOM 435 OD2 ASP A 31 -4.516 -9.209 -13.740 1.00 0.00 O ATOM 0 H ASP A 31 -4.526 -10.745 -11.144 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.769 -8.667 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.121 -7.479 -11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.891 -9.179 -11.823 1.00 0.00 H new ATOM 440 N VAL A 32 -5.380 -6.763 -9.397 1.00 0.00 N ATOM 441 CA VAL A 32 -6.484 -6.008 -8.822 1.00 0.00 C ATOM 442 C VAL A 32 -6.084 -4.554 -8.668 1.00 0.00 C ATOM 443 O VAL A 32 -4.976 -4.300 -8.215 1.00 0.00 O ATOM 444 CB VAL A 32 -6.970 -6.662 -7.504 1.00 0.00 C ATOM 445 CG1 VAL A 32 -6.578 -5.941 -6.211 1.00 0.00 C ATOM 446 CG2 VAL A 32 -8.480 -6.877 -7.457 1.00 0.00 C ATOM 0 H VAL A 32 -4.450 -6.410 -9.170 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.341 -6.030 -9.496 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.439 -7.613 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.972 -6.489 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.492 -5.888 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.991 -4.932 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.752 -7.338 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.987 -5.917 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.780 -7.530 -8.277 1.00 0.00 H new ATOM 456 N PRO A 33 -6.955 -3.601 -9.015 1.00 0.00 N ATOM 457 CA PRO A 33 -6.703 -2.185 -8.830 1.00 0.00 C ATOM 458 C PRO A 33 -6.287 -1.851 -7.402 1.00 0.00 C ATOM 459 O PRO A 33 -6.869 -2.371 -6.443 1.00 0.00 O ATOM 460 CB PRO A 33 -8.023 -1.506 -9.184 1.00 0.00 C ATOM 461 CG PRO A 33 -8.680 -2.471 -10.158 1.00 0.00 C ATOM 462 CD PRO A 33 -8.250 -3.829 -9.623 1.00 0.00 C ATOM 0 HA PRO A 33 -5.875 -1.847 -9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.641 -1.348 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.860 -0.529 -9.638 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.765 -2.363 -10.165 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.337 -2.311 -11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.966 -4.211 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.186 -4.566 -10.424 1.00 0.00 H new ATOM 470 N LEU A 34 -5.381 -0.878 -7.246 1.00 0.00 N ATOM 471 CA LEU A 34 -5.075 -0.386 -5.910 1.00 0.00 C ATOM 472 C LEU A 34 -6.315 0.112 -5.141 1.00 0.00 C ATOM 473 O LEU A 34 -6.356 -0.036 -3.926 1.00 0.00 O ATOM 474 CB LEU A 34 -3.807 0.478 -5.853 1.00 0.00 C ATOM 475 CG LEU A 34 -3.910 1.959 -6.224 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.507 2.568 -6.152 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.504 2.188 -7.618 1.00 0.00 C ATOM 0 H LEU A 34 -4.865 -0.432 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.779 -1.247 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.411 0.418 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.067 0.023 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.588 2.438 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.555 3.625 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.116 2.462 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.850 2.051 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.551 3.258 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.876 1.703 -8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.508 1.766 -7.659 1.00 0.00 H new ATOM 489 N VAL A 35 -7.383 0.555 -5.822 1.00 0.00 N ATOM 490 CA VAL A 35 -8.704 0.770 -5.215 1.00 0.00 C ATOM 491 C VAL A 35 -9.215 -0.498 -4.579 1.00 0.00 C ATOM 492 O VAL A 35 -9.483 -0.483 -3.385 1.00 0.00 O ATOM 493 CB VAL A 35 -9.718 1.481 -6.152 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.987 0.808 -7.495 1.00 0.00 C ATOM 495 CG2 VAL A 35 -11.043 1.768 -5.428 1.00 0.00 C ATOM 0 H VAL A 35 -7.353 0.776 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.578 1.490 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.213 2.413 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.710 1.397 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.057 0.738 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.386 -0.192 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.731 2.266 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.483 0.830 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.856 2.412 -4.569 1.00 0.00 H new ATOM 505 N GLU A 36 -9.324 -1.586 -5.321 1.00 0.00 N ATOM 506 CA GLU A 36 -9.940 -2.777 -4.792 1.00 0.00 C ATOM 507 C GLU A 36 -9.083 -3.323 -3.663 1.00 0.00 C ATOM 508 O GLU A 36 -9.643 -3.625 -2.618 1.00 0.00 O ATOM 509 CB GLU A 36 -10.174 -3.802 -5.909 1.00 0.00 C ATOM 510 CG GLU A 36 -11.224 -3.360 -6.944 1.00 0.00 C ATOM 511 CD GLU A 36 -12.621 -3.195 -6.337 1.00 0.00 C ATOM 512 OE1 GLU A 36 -12.910 -2.167 -5.678 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.465 -4.113 -6.465 1.00 0.00 O ATOM 0 H GLU A 36 -8.995 -1.664 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.921 -2.541 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.230 -3.991 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.490 -4.745 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.913 -2.416 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.266 -4.094 -7.748 1.00 0.00 H new ATOM 520 N LEU A 37 -7.750 -3.352 -3.773 1.00 0.00 N ATOM 521 CA LEU A 37 -6.954 -3.989 -2.737 1.00 0.00 C ATOM 522 C LEU A 37 -6.928 -3.114 -1.514 1.00 0.00 C ATOM 523 O LEU A 37 -6.793 -3.668 -0.433 1.00 0.00 O ATOM 524 CB LEU A 37 -5.520 -4.326 -3.165 1.00 0.00 C ATOM 525 CG LEU A 37 -4.622 -3.105 -3.429 1.00 0.00 C ATOM 526 CD1 LEU A 37 -3.759 -2.680 -2.231 1.00 0.00 C ATOM 527 CD2 LEU A 37 -3.662 -3.440 -4.561 1.00 0.00 C ATOM 0 H LEU A 37 -7.219 -2.953 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.436 -4.943 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.059 -4.938 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.559 -4.933 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.300 -2.284 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.158 -1.813 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.404 -2.424 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.102 -3.502 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.019 -2.582 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.049 -4.295 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.229 -3.683 -5.459 1.00 0.00 H new ATOM 539 N LEU A 38 -7.029 -1.782 -1.629 1.00 0.00 N ATOM 540 CA LEU A 38 -6.867 -0.942 -0.474 1.00 0.00 C ATOM 541 C LEU A 38 -8.213 -0.775 0.227 1.00 0.00 C ATOM 542 O LEU A 38 -8.268 -0.640 1.446 1.00 0.00 O ATOM 543 CB LEU A 38 -6.069 0.338 -0.793 1.00 0.00 C ATOM 544 CG LEU A 38 -6.812 1.681 -0.785 1.00 0.00 C ATOM 545 CD1 LEU A 38 -5.773 2.807 -0.853 1.00 0.00 C ATOM 546 CD2 LEU A 38 -7.786 1.955 -1.913 1.00 0.00 C ATOM 0 H LEU A 38 -7.219 -1.287 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.226 -1.419 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.251 0.407 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.620 0.213 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.408 1.635 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.281 3.771 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.109 2.742 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.189 2.709 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.235 2.939 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.257 1.927 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.568 1.196 -1.911 1.00 0.00 H new ATOM 558 N VAL A 39 -9.318 -0.867 -0.503 1.00 0.00 N ATOM 559 CA VAL A 39 -10.654 -0.945 0.075 1.00 0.00 C ATOM 560 C VAL A 39 -10.793 -2.306 0.760 1.00 0.00 C ATOM 561 O VAL A 39 -11.161 -2.355 1.933 1.00 0.00 O ATOM 562 CB VAL A 39 -11.658 -0.712 -1.063 1.00 0.00 C ATOM 563 CG1 VAL A 39 -13.022 -1.387 -0.890 1.00 0.00 C ATOM 564 CG2 VAL A 39 -11.887 0.759 -1.390 1.00 0.00 C ATOM 0 H VAL A 39 -9.312 -0.890 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.844 -0.189 0.837 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.153 -1.198 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.653 -1.158 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.887 -2.466 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.498 -1.018 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.608 0.843 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.273 1.272 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.944 1.216 -1.692 1.00 0.00 H new ATOM 574 N SER A 40 -10.448 -3.387 0.055 1.00 0.00 N ATOM 575 CA SER A 40 -10.521 -4.761 0.521 1.00 0.00 C ATOM 576 C SER A 40 -9.615 -4.913 1.736 1.00 0.00 C ATOM 577 O SER A 40 -10.062 -5.426 2.766 1.00 0.00 O ATOM 578 CB SER A 40 -10.147 -5.712 -0.628 1.00 0.00 C ATOM 579 OG SER A 40 -10.638 -7.019 -0.458 1.00 0.00 O ATOM 0 H SER A 40 -10.095 -3.317 -0.899 1.00 0.00 H new ATOM 0 HA SER A 40 -11.534 -5.020 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.532 -5.307 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.061 -5.749 -0.719 1.00 0.00 H new ATOM 0 HG SER A 40 -10.097 -7.487 0.212 1.00 0.00 H new ATOM 585 N ALA A 41 -8.387 -4.380 1.677 1.00 0.00 N ATOM 586 CA ALA A 41 -7.481 -4.528 2.808 1.00 0.00 C ATOM 587 C ALA A 41 -7.800 -3.547 3.934 1.00 0.00 C ATOM 588 O ALA A 41 -7.380 -3.785 5.066 1.00 0.00 O ATOM 589 CB ALA A 41 -6.021 -4.479 2.362 1.00 0.00 C ATOM 0 H ALA A 41 -8.013 -3.860 0.883 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.641 -5.520 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.371 -4.592 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.829 -5.288 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.820 -3.522 1.881 1.00 0.00 H new ATOM 595 N GLY A 42 -8.591 -2.501 3.684 1.00 0.00 N ATOM 596 CA GLY A 42 -9.211 -1.723 4.750 1.00 0.00 C ATOM 597 C GLY A 42 -8.403 -0.478 5.064 1.00 0.00 C ATOM 598 O GLY A 42 -8.452 0.064 6.167 1.00 0.00 O ATOM 0 H GLY A 42 -8.816 -2.174 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.221 -1.439 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.301 -2.337 5.646 1.00 0.00 H new ATOM 602 N ILE A 43 -7.689 0.001 4.057 1.00 0.00 N ATOM 603 CA ILE A 43 -6.891 1.199 4.066 1.00 0.00 C ATOM 604 C ILE A 43 -7.929 2.308 3.918 1.00 0.00 C ATOM 605 O ILE A 43 -7.910 3.233 4.728 1.00 0.00 O ATOM 606 CB ILE A 43 -5.905 1.173 2.875 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.776 0.118 2.874 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.221 2.547 2.730 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.166 -1.302 3.264 1.00 0.00 C ATOM 0 H ILE A 43 -7.655 -0.475 3.156 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.280 1.324 4.960 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.561 0.898 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.339 0.089 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.994 0.455 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.528 2.521 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.976 3.313 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.674 2.780 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.287 -1.945 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.571 -1.303 4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.920 -1.675 2.571 1.00 0.00 H new ATOM 621 N SER A 44 -8.902 2.187 2.994 1.00 0.00 N ATOM 622 CA SER A 44 -10.082 3.033 3.043 1.00 0.00 C ATOM 623 C SER A 44 -11.232 2.262 2.414 1.00 0.00 C ATOM 624 O SER A 44 -11.275 2.193 1.195 1.00 0.00 O ATOM 625 CB SER A 44 -9.832 4.329 2.279 1.00 0.00 C ATOM 626 OG SER A 44 -9.417 5.353 3.147 1.00 0.00 O ATOM 0 H SER A 44 -8.885 1.520 2.222 1.00 0.00 H new ATOM 0 HA SER A 44 -10.321 3.293 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.072 4.164 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.743 4.632 1.762 1.00 0.00 H new ATOM 0 HG SER A 44 -8.450 5.286 3.293 1.00 0.00 H new ATOM 632 N PRO A 45 -12.165 1.690 3.187 1.00 0.00 N ATOM 633 CA PRO A 45 -13.241 0.875 2.631 1.00 0.00 C ATOM 634 C PRO A 45 -14.331 1.706 1.946 1.00 0.00 C ATOM 635 O PRO A 45 -15.131 1.180 1.177 1.00 0.00 O ATOM 636 CB PRO A 45 -13.809 0.118 3.832 1.00 0.00 C ATOM 637 CG PRO A 45 -13.580 1.083 4.994 1.00 0.00 C ATOM 638 CD PRO A 45 -12.261 1.760 4.636 1.00 0.00 C ATOM 0 HA PRO A 45 -12.865 0.216 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.867 -0.110 3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.296 -0.831 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.391 1.805 5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.516 0.557 5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.245 2.794 4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.420 1.254 5.109 1.00 0.00 H new ATOM 646 N SER A 46 -14.391 3.010 2.224 1.00 0.00 N ATOM 647 CA SER A 46 -15.405 3.897 1.697 1.00 0.00 C ATOM 648 C SER A 46 -14.838 4.451 0.404 1.00 0.00 C ATOM 649 O SER A 46 -13.883 5.224 0.461 1.00 0.00 O ATOM 650 CB SER A 46 -15.722 4.968 2.732 1.00 0.00 C ATOM 651 OG SER A 46 -16.708 5.867 2.261 1.00 0.00 O ATOM 0 H SER A 46 -13.720 3.478 2.833 1.00 0.00 H new ATOM 0 HA SER A 46 -16.352 3.399 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.068 4.496 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.814 5.518 2.978 1.00 0.00 H new ATOM 0 HG SER A 46 -16.891 6.541 2.948 1.00 0.00 H new ATOM 657 N LYS A 47 -15.363 4.050 -0.758 1.00 0.00 N ATOM 658 CA LYS A 47 -14.707 4.297 -2.046 1.00 0.00 C ATOM 659 C LYS A 47 -14.406 5.768 -2.370 1.00 0.00 C ATOM 660 O LYS A 47 -13.525 6.025 -3.187 1.00 0.00 O ATOM 661 CB LYS A 47 -15.447 3.556 -3.178 1.00 0.00 C ATOM 662 CG LYS A 47 -14.973 2.091 -3.197 1.00 0.00 C ATOM 663 CD LYS A 47 -15.829 1.154 -4.057 1.00 0.00 C ATOM 664 CE LYS A 47 -15.241 -0.255 -3.917 1.00 0.00 C ATOM 665 NZ LYS A 47 -16.053 -1.295 -4.570 1.00 0.00 N ATOM 0 H LYS A 47 -16.248 3.549 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.706 3.875 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.524 3.603 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.244 4.032 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.946 2.060 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.960 1.714 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.868 1.172 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.820 1.473 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.238 -0.266 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.140 -0.495 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.601 -2.222 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.003 -1.310 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.130 -1.088 -5.586 1.00 0.00 H new ATOM 679 N ARG A 48 -15.040 6.759 -1.726 1.00 0.00 N ATOM 680 CA ARG A 48 -14.588 8.153 -1.842 1.00 0.00 C ATOM 681 C ARG A 48 -13.276 8.357 -1.076 1.00 0.00 C ATOM 682 O ARG A 48 -12.301 8.850 -1.663 1.00 0.00 O ATOM 683 CB ARG A 48 -15.694 9.124 -1.385 1.00 0.00 C ATOM 684 CG ARG A 48 -15.289 10.612 -1.436 1.00 0.00 C ATOM 685 CD ARG A 48 -14.773 11.109 -2.797 1.00 0.00 C ATOM 686 NE ARG A 48 -15.787 11.008 -3.866 1.00 0.00 N ATOM 687 CZ ARG A 48 -15.605 11.353 -5.150 1.00 0.00 C ATOM 688 NH1 ARG A 48 -14.422 11.802 -5.570 1.00 0.00 N ATOM 689 NH2 ARG A 48 -16.614 11.246 -6.013 1.00 0.00 N ATOM 0 H ARG A 48 -15.855 6.625 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.385 8.375 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.573 8.977 -2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.984 8.873 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.151 11.216 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.516 10.786 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.454 12.147 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.894 10.530 -3.081 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.704 10.645 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.646 11.886 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.293 12.062 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.521 10.903 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.480 11.507 -6.990 1.00 0.00 H new ATOM 703 N GLN A 49 -13.255 7.988 0.215 1.00 0.00 N ATOM 704 CA GLN A 49 -12.034 8.030 1.010 1.00 0.00 C ATOM 705 C GLN A 49 -10.984 7.253 0.245 1.00 0.00 C ATOM 706 O GLN A 49 -9.923 7.812 0.043 1.00 0.00 O ATOM 707 CB GLN A 49 -12.197 7.461 2.436 1.00 0.00 C ATOM 708 CG GLN A 49 -11.575 8.339 3.554 1.00 0.00 C ATOM 709 CD GLN A 49 -10.036 8.380 3.686 1.00 0.00 C ATOM 710 OE1 GLN A 49 -9.484 8.257 4.778 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.281 8.678 2.641 1.00 0.00 N ATOM 0 H GLN A 49 -14.075 7.658 0.724 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.748 9.072 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.259 7.331 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.742 6.471 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.923 9.361 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.981 8.000 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.705 8.788 1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.275 8.798 2.757 1.00 0.00 H new ATOM 720 N ALA A 50 -11.307 6.049 -0.237 1.00 0.00 N ATOM 721 CA ALA A 50 -10.419 5.227 -1.034 1.00 0.00 C ATOM 722 C ALA A 50 -9.826 6.012 -2.186 1.00 0.00 C ATOM 723 O ALA A 50 -8.611 6.095 -2.300 1.00 0.00 O ATOM 724 CB ALA A 50 -11.142 4.002 -1.583 1.00 0.00 C ATOM 0 H ALA A 50 -12.217 5.617 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.615 4.901 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.449 3.406 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.520 3.402 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.974 4.321 -2.210 1.00 0.00 H new ATOM 730 N ARG A 51 -10.662 6.589 -3.052 1.00 0.00 N ATOM 731 CA ARG A 51 -10.123 7.277 -4.207 1.00 0.00 C ATOM 732 C ARG A 51 -9.266 8.472 -3.817 1.00 0.00 C ATOM 733 O ARG A 51 -8.334 8.737 -4.565 1.00 0.00 O ATOM 734 CB ARG A 51 -11.188 7.565 -5.274 1.00 0.00 C ATOM 735 CG ARG A 51 -11.507 6.273 -6.062 1.00 0.00 C ATOM 736 CD ARG A 51 -12.074 6.524 -7.466 1.00 0.00 C ATOM 737 NE ARG A 51 -11.093 7.216 -8.320 1.00 0.00 N ATOM 738 CZ ARG A 51 -10.676 6.904 -9.555 1.00 0.00 C ATOM 739 NH1 ARG A 51 -11.128 5.841 -10.216 1.00 0.00 N ATOM 740 NH2 ARG A 51 -9.779 7.704 -10.107 1.00 0.00 N ATOM 0 H ARG A 51 -11.679 6.591 -2.974 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.432 6.593 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.094 7.947 -4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.833 8.338 -5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.598 5.679 -6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.222 5.679 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.353 5.575 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.982 7.122 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.671 8.051 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.819 5.227 -9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.784 5.640 -11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.436 8.516 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.430 7.509 -11.045 1.00 0.00 H new ATOM 754 N GLU A 52 -9.463 9.132 -2.668 1.00 0.00 N ATOM 755 CA GLU A 52 -8.392 10.024 -2.199 1.00 0.00 C ATOM 756 C GLU A 52 -7.187 9.232 -1.748 1.00 0.00 C ATOM 757 O GLU A 52 -6.071 9.557 -2.134 1.00 0.00 O ATOM 758 CB GLU A 52 -8.837 10.972 -1.068 1.00 0.00 C ATOM 759 CG GLU A 52 -7.655 11.757 -0.432 1.00 0.00 C ATOM 760 CD GLU A 52 -7.885 12.118 1.044 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.033 12.196 1.530 1.00 0.00 O ATOM 762 OE2 GLU A 52 -6.883 12.110 1.798 1.00 0.00 O ATOM 0 H GLU A 52 -10.294 9.075 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.128 10.644 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.566 11.680 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.340 10.393 -0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.746 11.161 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.489 12.672 -1.000 1.00 0.00 H new ATOM 769 N ASP A 53 -7.388 8.241 -0.897 1.00 0.00 N ATOM 770 CA ASP A 53 -6.340 7.455 -0.286 1.00 0.00 C ATOM 771 C ASP A 53 -5.489 6.720 -1.295 1.00 0.00 C ATOM 772 O ASP A 53 -4.461 6.171 -0.919 1.00 0.00 O ATOM 773 CB ASP A 53 -6.950 6.453 0.699 1.00 0.00 C ATOM 774 CG ASP A 53 -6.756 6.812 2.165 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.585 8.008 2.496 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.928 5.910 3.013 1.00 0.00 O ATOM 0 H ASP A 53 -8.322 7.954 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.686 8.152 0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.018 6.368 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.512 5.471 0.517 1.00 0.00 H new ATOM 781 N ILE A 54 -5.929 6.734 -2.546 1.00 0.00 N ATOM 782 CA ILE A 54 -5.185 6.402 -3.712 1.00 0.00 C ATOM 783 C ILE A 54 -4.646 7.667 -4.329 1.00 0.00 C ATOM 784 O ILE A 54 -3.442 7.797 -4.355 1.00 0.00 O ATOM 785 CB ILE A 54 -6.040 5.648 -4.729 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.640 4.369 -4.138 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.217 5.316 -5.980 1.00 0.00 C ATOM 788 CD1 ILE A 54 -7.851 3.972 -4.968 1.00 0.00 C ATOM 0 H ILE A 54 -6.888 7.000 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.364 5.746 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.866 6.303 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.901 3.568 -4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.930 4.532 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.841 4.779 -6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.857 6.239 -6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.367 4.694 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.290 3.062 -4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.589 4.774 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.544 3.795 -5.999 1.00 0.00 H new ATOM 800 N GLN A 55 -5.480 8.560 -4.880 1.00 0.00 N ATOM 801 CA GLN A 55 -5.027 9.659 -5.719 1.00 0.00 C ATOM 802 C GLN A 55 -4.117 10.637 -4.966 1.00 0.00 C ATOM 803 O GLN A 55 -3.525 11.513 -5.594 1.00 0.00 O ATOM 804 CB GLN A 55 -6.214 10.393 -6.374 1.00 0.00 C ATOM 805 CG GLN A 55 -6.663 9.781 -7.712 1.00 0.00 C ATOM 806 CD GLN A 55 -7.771 8.729 -7.620 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.962 9.038 -7.668 1.00 0.00 O ATOM 808 NE2 GLN A 55 -7.427 7.454 -7.623 1.00 0.00 N ATOM 0 H GLN A 55 -6.491 8.533 -4.751 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.425 9.216 -6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.057 10.389 -5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.939 11.435 -6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.004 10.586 -8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.796 9.328 -8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.442 7.191 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.146 6.732 -7.665 1.00 0.00 H new ATOM 817 N ASN A 56 -3.979 10.523 -3.644 1.00 0.00 N ATOM 818 CA ASN A 56 -2.962 11.235 -2.913 1.00 0.00 C ATOM 819 C ASN A 56 -1.645 10.511 -2.979 1.00 0.00 C ATOM 820 O ASN A 56 -1.518 9.411 -2.459 1.00 0.00 O ATOM 821 CB ASN A 56 -3.334 11.385 -1.423 1.00 0.00 C ATOM 822 CG ASN A 56 -4.142 12.619 -1.059 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.092 13.064 0.082 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.882 13.199 -1.988 1.00 0.00 N ATOM 0 H ASN A 56 -4.574 9.933 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.882 12.218 -3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.898 10.503 -1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.414 11.392 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.425 14.032 -1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.910 12.813 -2.932 1.00 0.00 H new ATOM 831 N GLY A 57 -0.600 11.214 -3.409 1.00 0.00 N ATOM 832 CA GLY A 57 0.774 10.744 -3.317 1.00 0.00 C ATOM 833 C GLY A 57 1.291 10.539 -1.895 1.00 0.00 C ATOM 834 O GLY A 57 2.479 10.315 -1.712 1.00 0.00 O ATOM 0 H GLY A 57 -0.688 12.136 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.857 9.801 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.422 11.459 -3.824 1.00 0.00 H new ATOM 838 N ALA A 58 0.416 10.611 -0.896 1.00 0.00 N ATOM 839 CA ALA A 58 0.703 10.132 0.433 1.00 0.00 C ATOM 840 C ALA A 58 0.539 8.609 0.538 1.00 0.00 C ATOM 841 O ALA A 58 0.846 8.099 1.603 1.00 0.00 O ATOM 842 CB ALA A 58 -0.213 10.856 1.420 1.00 0.00 C ATOM 0 H ALA A 58 -0.518 11.009 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 58 1.745 10.346 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.008 10.505 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.031 11.929 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.254 10.651 1.168 1.00 0.00 H new ATOM 848 N ILE A 59 0.030 7.873 -0.463 1.00 0.00 N ATOM 849 CA ILE A 59 0.093 6.412 -0.536 1.00 0.00 C ATOM 850 C ILE A 59 1.369 6.037 -1.315 1.00 0.00 C ATOM 851 O ILE A 59 1.468 5.968 -2.553 1.00 0.00 O ATOM 852 CB ILE A 59 -1.304 5.900 -0.888 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.555 4.411 -0.707 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.799 6.410 -2.247 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.688 3.601 -1.638 1.00 0.00 C ATOM 0 H ILE A 59 -0.447 8.292 -1.261 1.00 0.00 H new ATOM 0 HA ILE A 59 0.266 5.850 0.382 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.921 6.351 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.351 4.127 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.605 4.190 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.795 6.014 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.837 7.499 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.117 6.080 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.886 2.540 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.912 3.870 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.362 3.807 -1.429 1.00 0.00 H new ATOM 867 N TYR A 60 2.405 5.893 -0.491 1.00 0.00 N ATOM 868 CA TYR A 60 3.705 5.380 -0.820 1.00 0.00 C ATOM 869 C TYR A 60 3.618 3.853 -0.848 1.00 0.00 C ATOM 870 O TYR A 60 3.683 3.189 0.192 1.00 0.00 O ATOM 871 CB TYR A 60 4.757 5.928 0.161 1.00 0.00 C ATOM 872 CG TYR A 60 4.607 7.382 0.579 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.103 8.400 -0.251 1.00 0.00 C ATOM 874 CD2 TYR A 60 3.994 7.725 1.801 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.986 9.749 0.122 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.873 9.072 2.185 1.00 0.00 C ATOM 877 CZ TYR A 60 4.368 10.091 1.344 1.00 0.00 C ATOM 878 OH TYR A 60 4.229 11.396 1.704 1.00 0.00 O ATOM 0 H TYR A 60 2.338 6.155 0.492 1.00 0.00 H new ATOM 0 HA TYR A 60 4.029 5.711 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.738 5.312 1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.741 5.803 -0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.579 8.143 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.614 6.947 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.369 10.524 -0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.402 9.326 3.123 1.00 0.00 H new ATOM 0 HH TYR A 60 3.781 11.449 2.574 1.00 0.00 H new ATOM 888 N VAL A 61 3.444 3.270 -2.029 1.00 0.00 N ATOM 889 CA VAL A 61 3.452 1.819 -2.192 1.00 0.00 C ATOM 890 C VAL A 61 4.898 1.384 -2.184 1.00 0.00 C ATOM 891 O VAL A 61 5.704 1.926 -2.928 1.00 0.00 O ATOM 892 CB VAL A 61 2.788 1.357 -3.498 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.708 -0.178 -3.507 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.385 1.944 -3.582 1.00 0.00 C ATOM 0 H VAL A 61 3.294 3.785 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 61 2.877 1.371 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 61 3.374 1.695 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.238 -0.512 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.713 -0.595 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.117 -0.517 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.909 1.619 -4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.796 1.601 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.444 3.032 -3.567 1.00 0.00 H new ATOM 904 N ASN A 62 5.243 0.429 -1.324 1.00 0.00 N ATOM 905 CA ASN A 62 6.626 0.010 -1.090 1.00 0.00 C ATOM 906 C ASN A 62 7.494 1.168 -0.563 1.00 0.00 C ATOM 907 O ASN A 62 8.720 1.062 -0.526 1.00 0.00 O ATOM 908 CB ASN A 62 7.266 -0.633 -2.332 1.00 0.00 C ATOM 909 CG ASN A 62 6.729 -1.975 -2.739 1.00 0.00 C ATOM 910 OD1 ASN A 62 7.345 -2.610 -3.574 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.576 -2.416 -2.251 1.00 0.00 N ATOM 0 H ASN A 62 4.563 -0.083 -0.762 1.00 0.00 H new ATOM 0 HA ASN A 62 6.583 -0.757 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.147 0.052 -3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.336 -0.733 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.191 -3.303 -2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.075 -1.868 -1.551 1.00 0.00 H new ATOM 918 N GLY A 63 6.888 2.286 -0.158 1.00 0.00 N ATOM 919 CA GLY A 63 7.610 3.506 0.170 1.00 0.00 C ATOM 920 C GLY A 63 7.827 4.390 -1.054 1.00 0.00 C ATOM 921 O GLY A 63 8.672 5.278 -1.012 1.00 0.00 O ATOM 0 H GLY A 63 5.877 2.366 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.056 4.063 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.575 3.249 0.607 1.00 0.00 H new ATOM 925 N GLU A 64 7.080 4.203 -2.139 1.00 0.00 N ATOM 926 CA GLU A 64 7.172 4.995 -3.349 1.00 0.00 C ATOM 927 C GLU A 64 5.790 5.560 -3.641 1.00 0.00 C ATOM 928 O GLU A 64 4.835 4.806 -3.805 1.00 0.00 O ATOM 929 CB GLU A 64 7.725 4.130 -4.486 1.00 0.00 C ATOM 930 CG GLU A 64 8.326 4.967 -5.621 1.00 0.00 C ATOM 931 CD GLU A 64 9.468 5.843 -5.109 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.542 5.309 -4.746 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.264 7.072 -4.965 1.00 0.00 O ATOM 0 H GLU A 64 6.373 3.470 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 64 7.862 5.831 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.488 3.459 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.926 3.504 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.693 4.309 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.552 5.594 -6.064 1.00 0.00 H new ATOM 940 N ARG A 65 5.648 6.883 -3.599 1.00 0.00 N ATOM 941 CA ARG A 65 4.428 7.626 -3.885 1.00 0.00 C ATOM 942 C ARG A 65 3.914 7.157 -5.229 1.00 0.00 C ATOM 943 O ARG A 65 4.527 7.501 -6.237 1.00 0.00 O ATOM 944 CB ARG A 65 4.791 9.131 -3.890 1.00 0.00 C ATOM 945 CG ARG A 65 3.759 10.076 -4.532 1.00 0.00 C ATOM 946 CD ARG A 65 4.129 10.625 -5.920 1.00 0.00 C ATOM 947 NE ARG A 65 5.385 11.395 -5.906 1.00 0.00 N ATOM 948 CZ ARG A 65 6.103 11.731 -6.983 1.00 0.00 C ATOM 949 NH1 ARG A 65 5.739 11.367 -8.210 1.00 0.00 N ATOM 950 NH2 ARG A 65 7.202 12.451 -6.824 1.00 0.00 N ATOM 0 H ARG A 65 6.424 7.496 -3.351 1.00 0.00 H new ATOM 0 HA ARG A 65 3.646 7.464 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.952 9.448 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.740 9.253 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.810 9.546 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.598 10.919 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.223 9.796 -6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.321 11.260 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 65 5.737 11.698 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.892 10.816 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.307 11.639 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.491 12.742 -5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.760 12.715 -7.636 1.00 0.00 H new ATOM 964 N LEU A 66 2.846 6.361 -5.271 1.00 0.00 N ATOM 965 CA LEU A 66 2.427 5.745 -6.512 1.00 0.00 C ATOM 966 C LEU A 66 0.909 5.704 -6.453 1.00 0.00 C ATOM 967 O LEU A 66 0.289 4.666 -6.239 1.00 0.00 O ATOM 968 CB LEU A 66 3.082 4.385 -6.657 1.00 0.00 C ATOM 969 CG LEU A 66 4.577 4.393 -7.017 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.041 2.955 -6.884 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.887 4.906 -8.425 1.00 0.00 C ATOM 0 H LEU A 66 2.265 6.134 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 66 2.735 6.297 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.957 3.842 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.547 3.826 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 66 5.094 5.082 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.102 2.891 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.882 2.615 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.473 2.325 -7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.963 4.877 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.387 4.275 -9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.531 5.931 -8.525 1.00 0.00 H new ATOM 983 N GLN A 67 0.309 6.884 -6.587 1.00 0.00 N ATOM 984 CA GLN A 67 -1.114 7.132 -6.405 1.00 0.00 C ATOM 985 C GLN A 67 -1.922 6.680 -7.641 1.00 0.00 C ATOM 986 O GLN A 67 -2.817 7.408 -8.084 1.00 0.00 O ATOM 987 CB GLN A 67 -1.343 8.620 -5.985 1.00 0.00 C ATOM 988 CG GLN A 67 -0.564 9.830 -6.516 1.00 0.00 C ATOM 989 CD GLN A 67 0.059 9.695 -7.903 1.00 0.00 C ATOM 990 OE1 GLN A 67 1.209 10.066 -8.111 1.00 0.00 O ATOM 991 NE2 GLN A 67 -0.656 9.143 -8.862 1.00 0.00 N ATOM 0 H GLN A 67 0.825 7.728 -6.836 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.497 6.523 -5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.392 8.828 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.224 8.643 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.236 10.688 -6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.232 10.059 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.612 8.839 -8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.254 9.020 -9.791 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.593 5.541 -8.269 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.071 5.183 -9.603 1.00 0.00 C ATOM 1002 C ASP A 68 -2.243 3.682 -9.866 1.00 0.00 C ATOM 1003 O ASP A 68 -1.551 2.844 -9.298 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.095 5.766 -10.618 1.00 0.00 C ATOM 1005 CG ASP A 68 -1.659 5.666 -12.028 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -2.847 6.009 -12.219 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -0.925 5.247 -12.945 1.00 0.00 O ATOM 0 H ASP A 68 -0.980 4.838 -7.856 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.076 5.596 -9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.891 6.809 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.145 5.235 -10.563 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.160 3.356 -10.778 1.00 0.00 N ATOM 1013 CA VAL A 69 -3.544 2.007 -11.213 1.00 0.00 C ATOM 1014 C VAL A 69 -2.654 1.495 -12.331 1.00 0.00 C ATOM 1015 O VAL A 69 -2.371 0.301 -12.396 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.034 2.085 -11.601 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.316 2.891 -12.880 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -5.706 0.715 -11.671 1.00 0.00 C ATOM 0 H VAL A 69 -3.692 4.075 -11.268 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.407 1.278 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.485 2.641 -10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.388 2.895 -13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.968 3.916 -12.749 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.792 2.435 -13.720 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.753 0.837 -11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.202 0.100 -12.417 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.643 0.229 -10.698 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.134 2.402 -13.153 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.026 2.068 -14.034 1.00 0.00 C ATOM 1030 C GLY A 70 0.199 1.664 -13.229 1.00 0.00 C ATOM 1031 O GLY A 70 0.942 0.758 -13.606 1.00 0.00 O ATOM 0 H GLY A 70 -2.461 3.366 -13.226 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.316 1.253 -14.698 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.786 2.924 -14.665 1.00 0.00 H new ATOM 1035 N ALA A 71 0.364 2.309 -12.080 1.00 0.00 N ATOM 1036 CA ALA A 71 1.495 2.089 -11.201 1.00 0.00 C ATOM 1037 C ALA A 71 1.372 0.730 -10.520 1.00 0.00 C ATOM 1038 O ALA A 71 2.290 -0.076 -10.692 1.00 0.00 O ATOM 1039 CB ALA A 71 1.703 3.238 -10.219 1.00 0.00 C ATOM 0 H ALA A 71 -0.294 3.007 -11.733 1.00 0.00 H new ATOM 0 HA ALA A 71 2.402 2.072 -11.806 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.562 3.023 -9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.882 4.161 -10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.814 3.352 -9.599 1.00 0.00 H new ATOM 1045 N ILE A 72 0.289 0.427 -9.780 1.00 0.00 N ATOM 1046 CA ILE A 72 0.169 -0.852 -9.085 1.00 0.00 C ATOM 1047 C ILE A 72 -1.218 -1.469 -9.238 1.00 0.00 C ATOM 1048 O ILE A 72 -2.233 -0.778 -9.118 1.00 0.00 O ATOM 1049 CB ILE A 72 0.527 -0.719 -7.597 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.690 0.258 -7.349 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.939 -2.097 -7.036 1.00 0.00 C ATOM 1052 CD1 ILE A 72 1.231 1.636 -6.863 1.00 0.00 C ATOM 0 H ILE A 72 -0.507 1.052 -9.653 1.00 0.00 H new ATOM 0 HA ILE A 72 0.885 -1.524 -9.558 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.361 -0.332 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.366 -0.173 -6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.259 0.377 -8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.192 -1.999 -5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.111 -2.797 -7.147 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.805 -2.469 -7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.100 2.275 -6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.578 2.087 -7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.688 1.528 -5.924 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.229 -2.793 -9.432 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.367 -3.653 -9.276 1.00 0.00 C ATOM 1066 C LEU A 73 -1.992 -4.501 -8.052 1.00 0.00 C ATOM 1067 O LEU A 73 -2.150 -4.028 -6.936 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.720 -4.385 -10.581 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.078 -3.388 -11.709 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.311 -4.118 -13.027 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.318 -2.543 -11.432 1.00 0.00 C ATOM 0 H LEU A 73 -0.392 -3.302 -9.716 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.315 -3.149 -9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.878 -5.002 -10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.560 -5.057 -10.407 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.218 -2.721 -11.763 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.561 -3.395 -13.804 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.406 -4.656 -13.310 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.132 -4.825 -12.911 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.497 -1.872 -12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.181 -3.196 -11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.164 -1.956 -10.526 1.00 0.00 H new ATOM 1083 N THR A 74 -1.356 -5.660 -8.207 1.00 0.00 N ATOM 1084 CA THR A 74 -1.135 -6.635 -7.131 1.00 0.00 C ATOM 1085 C THR A 74 0.336 -6.778 -6.716 1.00 0.00 C ATOM 1086 O THR A 74 1.210 -6.051 -7.184 1.00 0.00 O ATOM 1087 CB THR A 74 -1.745 -7.975 -7.582 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.710 -8.069 -8.993 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.191 -8.062 -7.091 1.00 0.00 C ATOM 0 H THR A 74 -0.970 -5.958 -9.103 1.00 0.00 H new ATOM 0 HA THR A 74 -1.628 -6.276 -6.227 1.00 0.00 H new ATOM 0 HB THR A 74 -1.168 -8.797 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.789 -9.009 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.627 -9.009 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.210 -8.000 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.768 -7.238 -7.511 1.00 0.00 H new ATOM 1097 N ALA A 75 0.635 -7.723 -5.820 1.00 0.00 N ATOM 1098 CA ALA A 75 1.980 -7.948 -5.313 1.00 0.00 C ATOM 1099 C ALA A 75 3.013 -8.263 -6.387 1.00 0.00 C ATOM 1100 O ALA A 75 4.122 -7.743 -6.300 1.00 0.00 O ATOM 1101 CB ALA A 75 1.941 -9.079 -4.284 1.00 0.00 C ATOM 0 H ALA A 75 -0.061 -8.356 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 75 2.302 -7.010 -4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.945 -9.255 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.280 -8.801 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.570 -9.988 -4.757 1.00 0.00 H new ATOM 1107 N GLU A 76 2.697 -9.090 -7.383 1.00 0.00 N ATOM 1108 CA GLU A 76 3.622 -9.374 -8.483 1.00 0.00 C ATOM 1109 C GLU A 76 3.554 -8.278 -9.554 1.00 0.00 C ATOM 1110 O GLU A 76 4.302 -8.304 -10.528 1.00 0.00 O ATOM 1111 CB GLU A 76 3.377 -10.808 -8.988 1.00 0.00 C ATOM 1112 CG GLU A 76 4.257 -11.312 -10.138 1.00 0.00 C ATOM 1113 CD GLU A 76 3.700 -11.100 -11.544 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.467 -10.964 -11.707 1.00 0.00 O ATOM 1115 OE2 GLU A 76 4.513 -11.104 -12.498 1.00 0.00 O ATOM 0 H GLU A 76 1.804 -9.578 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 76 4.657 -9.346 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.503 -11.488 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.336 -10.881 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.226 -10.817 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.434 -12.378 -9.995 1.00 0.00 H new ATOM 1122 N HIS A 77 2.706 -7.265 -9.370 1.00 0.00 N ATOM 1123 CA HIS A 77 2.762 -6.013 -10.105 1.00 0.00 C ATOM 1124 C HIS A 77 3.668 -5.003 -9.375 1.00 0.00 C ATOM 1125 O HIS A 77 3.851 -3.895 -9.882 1.00 0.00 O ATOM 1126 CB HIS A 77 1.333 -5.495 -10.260 1.00 0.00 C ATOM 1127 CG HIS A 77 1.143 -4.431 -11.301 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.561 -3.132 -11.177 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.257 -4.479 -12.337 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.855 -2.389 -12.034 1.00 0.00 C ATOM 1131 NE2 HIS A 77 0.086 -3.171 -12.807 1.00 0.00 N ATOM 0 H HIS A 77 1.947 -7.299 -8.690 1.00 0.00 H new ATOM 0 HA HIS A 77 3.196 -6.163 -11.094 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.684 -6.336 -10.502 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.001 -5.103 -9.299 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.284 -2.792 -10.542 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.225 -5.365 -12.724 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.897 -1.312 -12.096 1.00 0.00 H new ATOM 1139 N ARG A 78 4.215 -5.322 -8.187 1.00 0.00 N ATOM 1140 CA ARG A 78 5.126 -4.409 -7.501 1.00 0.00 C ATOM 1141 C ARG A 78 6.444 -5.099 -7.164 1.00 0.00 C ATOM 1142 O ARG A 78 7.497 -4.645 -7.601 1.00 0.00 O ATOM 1143 CB ARG A 78 4.415 -3.777 -6.293 1.00 0.00 C ATOM 1144 CG ARG A 78 4.844 -2.349 -5.894 1.00 0.00 C ATOM 1145 CD ARG A 78 6.207 -1.799 -6.365 1.00 0.00 C ATOM 1146 NE ARG A 78 6.186 -1.270 -7.748 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.147 -1.392 -8.679 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.209 -2.165 -8.494 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.035 -0.736 -9.821 1.00 0.00 N ATOM 0 H ARG A 78 4.040 -6.197 -7.693 1.00 0.00 H new ATOM 0 HA ARG A 78 5.400 -3.587 -8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.345 -3.764 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.566 -4.429 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.075 -1.666 -6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.831 -2.298 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.524 -1.007 -5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.952 -2.592 -6.299 1.00 0.00 H new ATOM 0 HE ARG A 78 5.349 -0.756 -8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.314 -2.689 -7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.921 -2.236 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.223 -0.142 -9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.760 -0.824 -10.533 1.00 0.00 H new ATOM 1163 N LEU A 79 6.435 -6.125 -6.319 1.00 0.00 N ATOM 1164 CA LEU A 79 7.612 -6.848 -5.903 1.00 0.00 C ATOM 1165 C LEU A 79 7.841 -8.027 -6.850 1.00 0.00 C ATOM 1166 O LEU A 79 7.151 -8.187 -7.857 1.00 0.00 O ATOM 1167 CB LEU A 79 7.473 -7.283 -4.427 1.00 0.00 C ATOM 1168 CG LEU A 79 6.316 -6.777 -3.551 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.568 -7.277 -2.118 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.195 -5.270 -3.385 1.00 0.00 C ATOM 0 H LEU A 79 5.577 -6.480 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 79 8.492 -6.207 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.424 -8.372 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.399 -7.002 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 79 5.419 -7.138 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.764 -6.935 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.601 -8.366 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.519 -6.884 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.342 -5.042 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.105 -4.880 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.052 -4.807 -4.361 1.00 0.00 H new ATOM 1182 N GLU A 80 8.753 -8.918 -6.457 1.00 0.00 N ATOM 1183 CA GLU A 80 8.966 -10.232 -7.062 1.00 0.00 C ATOM 1184 C GLU A 80 7.687 -11.084 -7.116 1.00 0.00 C ATOM 1185 O GLU A 80 7.652 -12.065 -7.858 1.00 0.00 O ATOM 1186 CB GLU A 80 10.051 -10.969 -6.256 1.00 0.00 C ATOM 1187 CG GLU A 80 9.524 -11.487 -4.908 1.00 0.00 C ATOM 1188 CD GLU A 80 10.651 -11.884 -3.958 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.165 -13.019 -4.056 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.018 -11.074 -3.072 1.00 0.00 O ATOM 0 H GLU A 80 9.387 -8.736 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 80 9.278 -10.078 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.430 -11.807 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.891 -10.296 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.912 -10.716 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.877 -12.347 -5.080 1.00 0.00 H new ATOM 1197 N GLY A 81 6.668 -10.727 -6.322 1.00 0.00 N ATOM 1198 CA GLY A 81 5.388 -11.382 -6.215 1.00 0.00 C ATOM 1199 C GLY A 81 5.228 -12.123 -4.903 1.00 0.00 C ATOM 1200 O GLY A 81 5.326 -13.348 -4.888 1.00 0.00 O ATOM 0 H GLY A 81 6.736 -9.919 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.594 -10.641 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.271 -12.083 -7.042 1.00 0.00 H new ATOM 1204 N ARG A 82 4.995 -11.398 -3.799 1.00 0.00 N ATOM 1205 CA ARG A 82 4.796 -12.015 -2.481 1.00 0.00 C ATOM 1206 C ARG A 82 3.777 -11.242 -1.637 1.00 0.00 C ATOM 1207 O ARG A 82 2.750 -11.799 -1.249 1.00 0.00 O ATOM 1208 CB ARG A 82 6.143 -12.172 -1.744 1.00 0.00 C ATOM 1209 CG ARG A 82 7.139 -13.119 -2.433 1.00 0.00 C ATOM 1210 CD ARG A 82 8.387 -13.337 -1.573 1.00 0.00 C ATOM 1211 NE ARG A 82 9.283 -14.351 -2.151 1.00 0.00 N ATOM 1212 CZ ARG A 82 9.267 -15.658 -1.857 1.00 0.00 C ATOM 1213 NH1 ARG A 82 8.367 -16.170 -1.025 1.00 0.00 N ATOM 1214 NH2 ARG A 82 10.165 -16.462 -2.400 1.00 0.00 N ATOM 0 H ARG A 82 4.940 -10.380 -3.794 1.00 0.00 H new ATOM 0 HA ARG A 82 4.381 -13.010 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.605 -11.190 -1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.951 -12.538 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.657 -14.077 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.428 -12.705 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.925 -12.395 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.088 -13.646 -0.571 1.00 0.00 H new ATOM 0 HE ARG A 82 9.973 -14.033 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.668 -15.565 -0.595 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.375 -17.168 -0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.865 -16.086 -3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.157 -17.458 -2.180 1.00 0.00 H new ATOM 1228 N PHE A 83 4.066 -9.971 -1.343 1.00 0.00 N ATOM 1229 CA PHE A 83 3.288 -9.065 -0.493 1.00 0.00 C ATOM 1230 C PHE A 83 3.247 -7.691 -1.180 1.00 0.00 C ATOM 1231 O PHE A 83 3.640 -7.578 -2.336 1.00 0.00 O ATOM 1232 CB PHE A 83 3.946 -8.951 0.897 1.00 0.00 C ATOM 1233 CG PHE A 83 4.021 -10.222 1.725 1.00 0.00 C ATOM 1234 CD1 PHE A 83 5.030 -11.165 1.473 1.00 0.00 C ATOM 1235 CD2 PHE A 83 3.130 -10.441 2.792 1.00 0.00 C ATOM 1236 CE1 PHE A 83 5.114 -12.338 2.241 1.00 0.00 C ATOM 1237 CE2 PHE A 83 3.286 -11.556 3.630 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.276 -12.511 3.350 1.00 0.00 C ATOM 0 H PHE A 83 4.901 -9.519 -1.715 1.00 0.00 H new ATOM 0 HA PHE A 83 2.276 -9.446 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.959 -8.572 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.399 -8.203 1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.746 -10.987 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.321 -9.747 2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.825 -13.107 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.645 -11.679 4.490 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.391 -13.376 3.987 1.00 0.00 H new ATOM 1248 N THR A 84 2.808 -6.625 -0.513 1.00 0.00 N ATOM 1249 CA THR A 84 2.999 -5.229 -0.885 1.00 0.00 C ATOM 1250 C THR A 84 2.769 -4.392 0.384 1.00 0.00 C ATOM 1251 O THR A 84 1.784 -4.597 1.096 1.00 0.00 O ATOM 1252 CB THR A 84 2.042 -4.867 -2.039 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.636 -5.296 -3.237 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.790 -3.373 -2.229 1.00 0.00 C ATOM 0 H THR A 84 2.278 -6.721 0.353 1.00 0.00 H new ATOM 0 HA THR A 84 4.004 -5.029 -1.256 1.00 0.00 H new ATOM 0 HB THR A 84 1.092 -5.341 -1.791 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.143 -6.119 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.105 -3.223 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.351 -2.960 -1.321 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.733 -2.869 -2.438 1.00 0.00 H new ATOM 1262 N VAL A 85 3.684 -3.465 0.676 1.00 0.00 N ATOM 1263 CA VAL A 85 3.531 -2.425 1.696 1.00 0.00 C ATOM 1264 C VAL A 85 2.753 -1.264 1.074 1.00 0.00 C ATOM 1265 O VAL A 85 3.044 -0.888 -0.066 1.00 0.00 O ATOM 1266 CB VAL A 85 4.943 -1.990 2.152 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.028 -0.649 2.890 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.555 -3.072 3.039 1.00 0.00 C ATOM 0 H VAL A 85 4.581 -3.416 0.193 1.00 0.00 H new ATOM 0 HA VAL A 85 2.982 -2.781 2.568 1.00 0.00 H new ATOM 0 HB VAL A 85 5.496 -1.851 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.064 -0.448 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.661 0.147 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.419 -0.691 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.550 -2.761 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.924 -3.224 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.628 -4.004 2.478 1.00 0.00 H new ATOM 1278 N ILE A 86 1.828 -0.658 1.823 1.00 0.00 N ATOM 1279 CA ILE A 86 1.001 0.468 1.416 1.00 0.00 C ATOM 1280 C ILE A 86 1.087 1.489 2.528 1.00 0.00 C ATOM 1281 O ILE A 86 0.428 1.312 3.553 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.458 -0.008 1.221 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.611 -0.890 -0.035 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.458 1.155 1.112 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.445 -0.090 -1.328 1.00 0.00 C ATOM 0 H ILE A 86 1.630 -0.959 2.777 1.00 0.00 H new ATOM 0 HA ILE A 86 1.338 0.899 0.473 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.686 -0.588 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.129 -1.690 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.593 -1.364 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.464 0.758 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.423 1.752 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.197 1.781 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.561 -0.754 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.202 0.693 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.547 0.362 -1.351 1.00 0.00 H new ATOM 1297 N ARG A 87 1.884 2.545 2.363 1.00 0.00 N ATOM 1298 CA ARG A 87 2.070 3.533 3.418 1.00 0.00 C ATOM 1299 C ARG A 87 1.194 4.723 3.073 1.00 0.00 C ATOM 1300 O ARG A 87 1.619 5.513 2.246 1.00 0.00 O ATOM 1301 CB ARG A 87 3.561 3.931 3.570 1.00 0.00 C ATOM 1302 CG ARG A 87 4.547 2.751 3.584 1.00 0.00 C ATOM 1303 CD ARG A 87 5.714 2.910 4.563 1.00 0.00 C ATOM 1304 NE ARG A 87 6.676 3.979 4.245 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.681 4.332 5.063 1.00 0.00 C ATOM 1306 NH1 ARG A 87 7.740 3.837 6.300 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.626 5.162 4.649 1.00 0.00 N ATOM 0 H ARG A 87 2.409 2.735 1.509 1.00 0.00 H new ATOM 0 HA ARG A 87 1.779 3.122 4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.829 4.600 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.679 4.495 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.001 1.841 3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.948 2.617 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.307 3.097 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.254 1.964 4.612 1.00 0.00 H new ATOM 0 HE ARG A 87 6.574 4.476 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.022 3.190 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.503 4.105 6.921 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.595 5.539 3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.385 5.424 5.277 1.00 0.00 H new ATOM 1321 N ARG A 88 -0.028 4.837 3.603 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.848 6.026 3.442 1.00 0.00 C ATOM 1323 C ARG A 88 -0.471 6.977 4.578 1.00 0.00 C ATOM 1324 O ARG A 88 -0.628 6.632 5.745 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.343 5.640 3.464 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.296 6.853 3.445 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.228 7.753 2.196 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.124 9.185 2.543 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.867 10.226 2.145 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -5.042 10.072 1.565 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -3.439 11.462 2.369 1.00 0.00 N ATOM 0 H ARG A 88 -0.470 4.102 4.155 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.675 6.518 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.558 5.006 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.543 5.046 4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.318 6.487 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.087 7.467 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.369 7.465 1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.117 7.593 1.586 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.368 9.418 3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.413 9.135 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.579 10.890 1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.548 11.615 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.001 12.259 2.068 1.00 0.00 H new ATOM 1345 N GLY A 89 -0.008 8.182 4.257 1.00 0.00 N ATOM 1346 CA GLY A 89 0.074 9.283 5.205 1.00 0.00 C ATOM 1347 C GLY A 89 -1.347 9.754 5.503 1.00 0.00 C ATOM 1348 O GLY A 89 -1.918 10.462 4.672 1.00 0.00 O ATOM 0 H GLY A 89 0.323 8.421 3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.569 8.961 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.667 10.099 4.792 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.911 9.299 6.625 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.292 9.243 7.137 1.00 0.00 C ATOM 1354 C LYS A 90 -3.414 7.803 7.621 1.00 0.00 C ATOM 1355 O LYS A 90 -3.432 6.898 6.795 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.424 9.556 6.128 1.00 0.00 C ATOM 1357 CG LYS A 90 -4.797 11.042 5.982 1.00 0.00 C ATOM 1358 CD LYS A 90 -5.801 11.254 4.832 1.00 0.00 C ATOM 1359 CE LYS A 90 -7.281 11.220 5.232 1.00 0.00 C ATOM 1360 NZ LYS A 90 -8.155 11.197 4.035 1.00 0.00 N ATOM 0 H LYS A 90 -1.294 8.885 7.324 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.431 10.020 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.128 9.177 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.315 9.005 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.227 11.405 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.898 11.629 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.592 12.215 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.629 10.487 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.475 10.340 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.517 12.092 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.085 10.808 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.272 12.165 3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.722 10.602 3.300 1.00 0.00 H new ATOM 1374 N LYS A 91 -3.563 7.589 8.931 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.352 6.296 9.587 1.00 0.00 C ATOM 1376 C LYS A 91 -1.950 5.783 9.241 1.00 0.00 C ATOM 1377 O LYS A 91 -1.006 6.532 9.504 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.536 5.298 9.577 1.00 0.00 C ATOM 1379 CG LYS A 91 -5.120 4.842 8.236 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.197 5.798 7.705 1.00 0.00 C ATOM 1381 CE LYS A 91 -6.346 5.589 6.193 1.00 0.00 C ATOM 1382 NZ LYS A 91 -7.627 6.077 5.645 1.00 0.00 N ATOM 0 H LYS A 91 -3.840 8.326 9.579 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.362 6.450 10.666 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.217 4.406 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.347 5.745 10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.317 4.762 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.548 3.846 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.147 5.612 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.922 6.831 7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.527 6.097 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.249 4.526 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.498 6.348 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.341 5.324 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.946 6.903 6.190 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.768 4.553 8.741 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.449 3.920 8.732 1.00 0.00 C ATOM 1398 C LYS A 92 -0.155 3.152 7.435 1.00 0.00 C ATOM 1399 O LYS A 92 -0.462 3.592 6.314 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.303 3.070 10.022 1.00 0.00 C ATOM 1401 CG LYS A 92 1.151 2.960 10.531 1.00 0.00 C ATOM 1402 CD LYS A 92 1.534 4.101 11.486 1.00 0.00 C ATOM 1403 CE LYS A 92 1.001 3.864 12.909 1.00 0.00 C ATOM 1404 NZ LYS A 92 1.767 2.818 13.625 1.00 0.00 N ATOM 0 H LYS A 92 -2.513 3.983 8.341 1.00 0.00 H new ATOM 0 HA LYS A 92 0.322 4.690 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.921 3.507 10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.689 2.068 9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.282 2.006 11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.831 2.962 9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.619 4.199 11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.140 5.042 11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.047 4.796 13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.048 3.573 12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.140 2.322 14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.151 2.138 12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.549 3.259 14.150 1.00 0.00 H new ATOM 1418 N TYR A 93 0.544 2.026 7.591 1.00 0.00 N ATOM 1419 CA TYR A 93 1.228 1.303 6.546 1.00 0.00 C ATOM 1420 C TYR A 93 0.691 -0.117 6.464 1.00 0.00 C ATOM 1421 O TYR A 93 1.252 -1.049 7.039 1.00 0.00 O ATOM 1422 CB TYR A 93 2.739 1.320 6.773 1.00 0.00 C ATOM 1423 CG TYR A 93 3.389 2.612 7.252 1.00 0.00 C ATOM 1424 CD1 TYR A 93 2.905 3.885 6.890 1.00 0.00 C ATOM 1425 CD2 TYR A 93 4.503 2.528 8.108 1.00 0.00 C ATOM 1426 CE1 TYR A 93 3.501 5.049 7.395 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.120 3.687 8.604 1.00 0.00 C ATOM 1428 CZ TYR A 93 4.602 4.958 8.273 1.00 0.00 C ATOM 1429 OH TYR A 93 5.127 6.089 8.814 1.00 0.00 O ATOM 0 H TYR A 93 0.646 1.580 8.503 1.00 0.00 H new ATOM 0 HA TYR A 93 1.040 1.795 5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.974 0.542 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.218 1.036 5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.065 3.965 6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.888 1.558 8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.117 6.018 7.111 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.990 3.607 9.238 1.00 0.00 H new ATOM 0 HH TYR A 93 5.879 5.854 9.397 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.427 -0.294 5.782 1.00 0.00 N ATOM 1440 CA TYR A 94 -1.080 -1.575 5.753 1.00 0.00 C ATOM 1441 C TYR A 94 -0.348 -2.462 4.763 1.00 0.00 C ATOM 1442 O TYR A 94 0.468 -1.999 3.960 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.514 -1.346 5.343 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.365 -0.654 6.393 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.741 -1.345 7.559 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -3.793 0.673 6.212 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.553 -0.714 8.519 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.627 1.299 7.143 1.00 0.00 C ATOM 1449 CZ TYR A 94 -5.014 0.605 8.308 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.854 1.197 9.198 1.00 0.00 O ATOM 0 H TYR A 94 -0.895 0.436 5.245 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.065 -2.068 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.527 -0.749 4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.968 -2.307 5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.406 -2.360 7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.471 1.219 5.337 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.825 -1.240 9.422 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.973 2.308 6.971 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.684 0.841 10.095 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.622 -3.751 4.843 1.00 0.00 N ATOM 1461 CA LEU A 95 0.195 -4.783 4.234 1.00 0.00 C ATOM 1462 C LEU A 95 -0.759 -5.737 3.540 1.00 0.00 C ATOM 1463 O LEU A 95 -1.761 -6.158 4.113 1.00 0.00 O ATOM 1464 CB LEU A 95 1.001 -5.439 5.353 1.00 0.00 C ATOM 1465 CG LEU A 95 2.270 -6.215 4.981 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.772 -6.933 6.240 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.078 -7.240 3.866 1.00 0.00 C ATOM 0 H LEU A 95 -1.433 -4.116 5.342 1.00 0.00 H new ATOM 0 HA LEU A 95 0.903 -4.413 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.284 -4.658 6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.338 -6.123 5.883 1.00 0.00 H new ATOM 0 HG LEU A 95 2.988 -5.489 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.676 -7.494 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.993 -6.198 7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.004 -7.618 6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.025 -7.742 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.334 -7.976 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.738 -6.735 2.962 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.493 -6.021 2.281 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.391 -6.773 1.414 1.00 0.00 C ATOM 1481 C ILE A 96 -0.615 -7.954 0.859 1.00 0.00 C ATOM 1482 O ILE A 96 0.511 -7.798 0.394 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.961 -5.865 0.299 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.895 -4.765 0.852 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.779 -6.677 -0.726 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -2.221 -3.561 1.513 1.00 0.00 C ATOM 0 H ILE A 96 0.369 -5.732 1.819 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.252 -7.142 1.972 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.090 -5.409 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.515 -4.401 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.565 -5.222 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.165 -6.008 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.140 -7.430 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.611 -7.167 -0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.983 -2.862 1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.626 -3.898 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.574 -3.064 0.790 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.229 -9.130 0.865 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.798 -10.302 0.140 1.00 0.00 C ATOM 1500 C ARG A 97 -1.956 -10.952 -0.639 1.00 0.00 C ATOM 1501 O ARG A 97 -3.119 -10.526 -0.596 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.107 -11.250 1.136 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.844 -11.585 2.448 1.00 0.00 C ATOM 1504 CD ARG A 97 -0.128 -12.723 3.195 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.994 -13.478 4.118 1.00 0.00 N ATOM 1506 CZ ARG A 97 -1.224 -13.255 5.420 1.00 0.00 C ATOM 1507 NH1 ARG A 97 -0.884 -12.096 5.979 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -1.804 -14.204 6.152 1.00 0.00 N ATOM 0 H ARG A 97 -2.080 -9.293 1.403 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.077 -10.030 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.096 -12.188 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.858 -10.815 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.891 -10.699 3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.872 -11.876 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.294 -13.413 2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.706 -12.305 3.758 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.483 -14.276 3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.444 -11.368 5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.063 -11.936 6.970 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.069 -15.090 5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.984 -14.045 7.143 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.629 -12.017 -1.359 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.574 -12.963 -1.888 1.00 0.00 C ATOM 1524 C TYR A 98 -2.329 -14.331 -1.261 1.00 0.00 C ATOM 1525 O TYR A 98 -1.261 -14.582 -0.697 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.515 -13.008 -3.418 1.00 0.00 C ATOM 1527 CG TYR A 98 -1.193 -12.768 -4.122 1.00 0.00 C ATOM 1528 CD1 TYR A 98 -0.016 -13.412 -3.692 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -1.172 -11.964 -5.278 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.178 -13.262 -4.414 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.016 -11.813 -6.010 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.189 -12.464 -5.575 1.00 0.00 C ATOM 1533 OH TYR A 98 2.335 -12.290 -6.267 1.00 0.00 O ATOM 0 H TYR A 98 -0.663 -12.244 -1.593 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.584 -12.646 -1.629 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.878 -13.987 -3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.224 -12.270 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.033 -14.024 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.072 -11.463 -5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.081 -13.754 -4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.032 -11.202 -6.901 1.00 0.00 H new ATOM 0 HH TYR A 98 2.342 -12.887 -7.044 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.339 -15.194 -1.362 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.295 -16.607 -1.034 1.00 0.00 C ATOM 1545 C ALA A 99 -2.298 -17.309 -1.961 1.00 0.00 C ATOM 1546 O ALA A 99 -2.665 -17.790 -3.033 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.703 -17.203 -1.147 1.00 0.00 C ATOM 0 H ALA A 99 -4.259 -14.903 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.957 -16.751 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.670 -18.264 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.372 -16.691 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.070 -17.078 -2.166 1.00 0.00 H new