USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 548 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 54 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.3!) USER MOD Set 1.2: A 56 GLN : amide:sc= 0 X(o=-0.1,f=-0.35) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.115 X(o=-0.11,f=0.0091) USER MOD Set 2.2: A 23 GLN : amide:sc= 0 X(o=-0.11,f=0.0091) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 24 SER OG : rot 71:sc= 0.748 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -82:sc= 1.47 USER MOD Single : A 29 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0272) USER MOD Single : A 37 ASN : amide:sc=-0.00132 X(o=-0.0013,f=-0.0013) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 0.218 (180deg=0.143) USER MOD Single : A 41 GLN : amide:sc= 0.578 K(o=0.58,f=-0.14) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.15) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.204 1.468 -9.784 1.00 0.00 N ATOM 152 CA GLU A 13 -7.951 2.207 -9.650 1.00 0.00 C ATOM 153 C GLU A 13 -7.284 2.000 -8.291 1.00 0.00 C ATOM 154 O GLU A 13 -6.064 1.878 -8.253 1.00 0.00 O ATOM 155 CB GLU A 13 -8.183 3.695 -9.920 1.00 0.00 C ATOM 156 CG GLU A 13 -8.518 3.927 -11.400 1.00 0.00 C ATOM 157 CD GLU A 13 -8.692 5.408 -11.731 1.00 0.00 C ATOM 158 OE1 GLU A 13 -9.284 6.153 -10.919 1.00 0.00 O ATOM 159 OE2 GLU A 13 -8.250 5.840 -12.829 1.00 0.00 O ATOM 0 HA GLU A 13 -7.263 1.809 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.997 4.061 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.293 4.263 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.724 3.510 -12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.433 3.391 -11.651 1.00 0.00 H new ATOM 166 N VAL A 14 -8.053 1.896 -7.202 1.00 0.00 N ATOM 167 CA VAL A 14 -7.534 1.526 -5.885 1.00 0.00 C ATOM 168 C VAL A 14 -6.805 0.186 -6.005 1.00 0.00 C ATOM 169 O VAL A 14 -5.598 0.124 -5.790 1.00 0.00 O ATOM 170 CB VAL A 14 -8.690 1.561 -4.855 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.446 0.823 -3.536 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.944 3.015 -4.451 1.00 0.00 C ATOM 0 H VAL A 14 -9.058 2.068 -7.212 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.795 2.236 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.514 1.065 -5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.324 0.918 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.257 -0.231 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.582 1.256 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.756 3.054 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.040 3.432 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.216 3.595 -5.333 1.00 0.00 H new ATOM 182 N GLY A 15 -7.504 -0.877 -6.402 1.00 0.00 N ATOM 183 CA GLY A 15 -6.947 -2.197 -6.620 1.00 0.00 C ATOM 184 C GLY A 15 -5.755 -2.201 -7.571 1.00 0.00 C ATOM 185 O GLY A 15 -4.854 -3.016 -7.376 1.00 0.00 O ATOM 0 H GLY A 15 -8.507 -0.834 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.640 -2.616 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.723 -2.850 -7.019 1.00 0.00 H new ATOM 189 N LYS A 16 -5.725 -1.336 -8.589 1.00 0.00 N ATOM 190 CA LYS A 16 -4.606 -1.261 -9.519 1.00 0.00 C ATOM 191 C LYS A 16 -3.395 -0.617 -8.860 1.00 0.00 C ATOM 192 O LYS A 16 -2.301 -1.158 -8.984 1.00 0.00 O ATOM 193 CB LYS A 16 -5.003 -0.520 -10.806 1.00 0.00 C ATOM 194 CG LYS A 16 -3.882 -0.517 -11.866 1.00 0.00 C ATOM 195 CD LYS A 16 -3.357 -1.927 -12.199 1.00 0.00 C ATOM 196 CE LYS A 16 -2.413 -1.928 -13.400 1.00 0.00 C ATOM 197 NZ LYS A 16 -1.981 -3.299 -13.738 1.00 0.00 N ATOM 0 H LYS A 16 -6.474 -0.673 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.331 -2.278 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.894 -0.986 -11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.267 0.509 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.255 -0.050 -12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.055 0.097 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.837 -2.332 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.200 -2.587 -12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.912 -1.479 -14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.541 -1.313 -13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.341 -3.269 -14.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.484 -3.717 -12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.813 -3.878 -13.970 1.00 0.00 H new ATOM 211 N VAL A 17 -3.556 0.522 -8.189 1.00 0.00 N ATOM 212 CA VAL A 17 -2.472 1.188 -7.464 1.00 0.00 C ATOM 213 C VAL A 17 -1.935 0.241 -6.392 1.00 0.00 C ATOM 214 O VAL A 17 -0.719 0.155 -6.226 1.00 0.00 O ATOM 215 CB VAL A 17 -2.967 2.533 -6.880 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.930 3.187 -5.955 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.308 3.519 -8.016 1.00 0.00 C ATOM 0 H VAL A 17 -4.448 1.013 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.651 1.426 -8.140 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.857 2.308 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.326 4.127 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.713 2.518 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.014 3.380 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.655 4.460 -7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.419 3.700 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.092 3.095 -8.643 1.00 0.00 H new ATOM 227 N ILE A 18 -2.817 -0.498 -5.711 1.00 0.00 N ATOM 228 CA ILE A 18 -2.431 -1.515 -4.750 1.00 0.00 C ATOM 229 C ILE A 18 -1.551 -2.548 -5.454 1.00 0.00 C ATOM 230 O ILE A 18 -0.406 -2.747 -5.049 1.00 0.00 O ATOM 231 CB ILE A 18 -3.665 -2.128 -4.038 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.364 -1.075 -3.155 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.155 -3.268 -3.140 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.836 -1.334 -2.825 1.00 0.00 C ATOM 0 H ILE A 18 -3.827 -0.400 -5.818 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.844 -1.068 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.380 -2.486 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.813 -0.994 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.290 -0.108 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.997 -3.726 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.655 -4.018 -3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.451 -2.869 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.216 -0.526 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.413 -1.380 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.928 -2.280 -2.292 1.00 0.00 H new ATOM 246 N GLN A 19 -2.071 -3.199 -6.499 1.00 0.00 N ATOM 247 CA GLN A 19 -1.363 -4.246 -7.215 1.00 0.00 C ATOM 248 C GLN A 19 0.005 -3.743 -7.684 1.00 0.00 C ATOM 249 O GLN A 19 1.002 -4.424 -7.453 1.00 0.00 O ATOM 250 CB GLN A 19 -2.237 -4.756 -8.370 1.00 0.00 C ATOM 251 CG GLN A 19 -1.728 -6.096 -8.910 1.00 0.00 C ATOM 252 CD GLN A 19 -2.464 -6.579 -10.161 1.00 0.00 C ATOM 253 OE1 GLN A 19 -1.863 -7.211 -11.030 1.00 0.00 O ATOM 254 NE2 GLN A 19 -3.758 -6.335 -10.302 1.00 0.00 N ATOM 0 H GLN A 19 -3.002 -3.007 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.171 -5.089 -6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.266 -4.868 -8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.247 -4.019 -9.173 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.666 -6.005 -9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.824 -6.851 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.259 -5.812 -9.584 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.253 -6.670 -11.128 1.00 0.00 H new ATOM 263 N GLN A 20 0.064 -2.541 -8.265 1.00 0.00 N ATOM 264 CA GLN A 20 1.283 -1.872 -8.672 1.00 0.00 C ATOM 265 C GLN A 20 2.246 -1.756 -7.499 1.00 0.00 C ATOM 266 O GLN A 20 3.319 -2.345 -7.547 1.00 0.00 O ATOM 267 CB GLN A 20 0.957 -0.489 -9.262 1.00 0.00 C ATOM 268 CG GLN A 20 0.792 -0.549 -10.773 1.00 0.00 C ATOM 269 CD GLN A 20 0.758 0.843 -11.390 1.00 0.00 C ATOM 270 OE1 GLN A 20 1.793 1.395 -11.765 1.00 0.00 O ATOM 271 NE2 GLN A 20 -0.419 1.415 -11.567 1.00 0.00 N ATOM 0 H GLN A 20 -0.773 -1.994 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 20 1.770 -2.466 -9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.041 -0.107 -8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.753 0.211 -9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.613 -1.120 -11.207 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.129 -1.079 -11.018 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.267 0.945 -11.251 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.480 2.327 -12.020 1.00 0.00 H new ATOM 280 N GLY A 21 1.893 -1.025 -6.444 1.00 0.00 N ATOM 281 CA GLY A 21 2.830 -0.748 -5.366 1.00 0.00 C ATOM 282 C GLY A 21 3.328 -2.010 -4.683 1.00 0.00 C ATOM 283 O GLY A 21 4.498 -2.068 -4.298 1.00 0.00 O ATOM 0 H GLY A 21 0.967 -0.616 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.681 -0.195 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.349 -0.106 -4.628 1.00 0.00 H new ATOM 287 N ARG A 22 2.475 -3.032 -4.559 1.00 0.00 N ATOM 288 CA ARG A 22 2.899 -4.312 -4.043 1.00 0.00 C ATOM 289 C ARG A 22 3.946 -4.906 -4.979 1.00 0.00 C ATOM 290 O ARG A 22 5.031 -5.243 -4.510 1.00 0.00 O ATOM 291 CB ARG A 22 1.703 -5.262 -3.953 1.00 0.00 C ATOM 292 CG ARG A 22 0.732 -4.947 -2.831 1.00 0.00 C ATOM 293 CD ARG A 22 -0.173 -6.146 -2.497 1.00 0.00 C ATOM 294 NE ARG A 22 -1.171 -6.455 -3.534 1.00 0.00 N ATOM 295 CZ ARG A 22 -1.079 -7.272 -4.591 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.068 -7.802 -5.001 1.00 0.00 N ATOM 297 NH2 ARG A 22 -2.184 -7.596 -5.236 1.00 0.00 N ATOM 0 H ARG A 22 1.488 -2.985 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 22 3.323 -4.177 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.164 -5.238 -4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.072 -6.279 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.289 -4.655 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.114 -4.095 -3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.452 -7.025 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.690 -5.946 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.066 -5.976 -3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.933 -7.592 -4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.083 -8.419 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.083 -7.226 -4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.139 -8.217 -6.044 1.00 0.00 H new ATOM 311 N GLN A 23 3.629 -5.070 -6.268 1.00 0.00 N ATOM 312 CA GLN A 23 4.508 -5.623 -7.278 1.00 0.00 C ATOM 313 C GLN A 23 5.833 -4.866 -7.341 1.00 0.00 C ATOM 314 O GLN A 23 6.883 -5.499 -7.453 1.00 0.00 O ATOM 315 CB GLN A 23 3.786 -5.557 -8.630 1.00 0.00 C ATOM 316 CG GLN A 23 2.735 -6.663 -8.801 1.00 0.00 C ATOM 317 CD GLN A 23 1.967 -6.570 -10.125 1.00 0.00 C ATOM 318 OE1 GLN A 23 2.034 -5.586 -10.863 1.00 0.00 O ATOM 319 NE2 GLN A 23 1.199 -7.590 -10.467 1.00 0.00 N ATOM 0 H GLN A 23 2.716 -4.808 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 23 4.744 -6.657 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.303 -4.585 -8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.520 -5.633 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.226 -7.634 -8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.027 -6.613 -7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.138 -8.408 -9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.667 -7.559 -11.337 1.00 0.00 H new ATOM 328 N SER A 24 5.823 -3.536 -7.240 1.00 0.00 N ATOM 329 CA SER A 24 7.037 -2.742 -7.369 1.00 0.00 C ATOM 330 C SER A 24 7.968 -3.039 -6.193 1.00 0.00 C ATOM 331 O SER A 24 9.162 -3.239 -6.388 1.00 0.00 O ATOM 332 CB SER A 24 6.688 -1.255 -7.466 1.00 0.00 C ATOM 333 OG SER A 24 5.718 -1.031 -8.478 1.00 0.00 O ATOM 0 H SER A 24 4.981 -2.987 -7.068 1.00 0.00 H new ATOM 0 HA SER A 24 7.560 -3.010 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.308 -0.902 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.587 -0.679 -7.684 1.00 0.00 H new ATOM 0 HG SER A 24 4.853 -1.387 -8.186 1.00 0.00 H new ATOM 339 N LYS A 25 7.422 -3.162 -4.978 1.00 0.00 N ATOM 340 CA LYS A 25 8.179 -3.497 -3.769 1.00 0.00 C ATOM 341 C LYS A 25 8.381 -5.009 -3.597 1.00 0.00 C ATOM 342 O LYS A 25 9.000 -5.436 -2.625 1.00 0.00 O ATOM 343 CB LYS A 25 7.472 -2.876 -2.556 1.00 0.00 C ATOM 344 CG LYS A 25 7.438 -1.344 -2.672 1.00 0.00 C ATOM 345 CD LYS A 25 6.718 -0.653 -1.514 1.00 0.00 C ATOM 346 CE LYS A 25 7.554 -0.659 -0.229 1.00 0.00 C ATOM 347 NZ LYS A 25 7.256 0.495 0.642 1.00 0.00 N ATOM 0 H LYS A 25 6.425 -3.029 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 25 9.182 -3.080 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.455 -3.263 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.988 -3.165 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.461 -0.970 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.949 -1.071 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.489 0.376 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.767 -1.152 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.366 -1.582 0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.613 -0.652 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.846 0.446 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.460 1.377 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.252 0.476 0.913 1.00 0.00 H new ATOM 361 N GLY A 26 7.855 -5.833 -4.505 1.00 0.00 N ATOM 362 CA GLY A 26 7.896 -7.286 -4.422 1.00 0.00 C ATOM 363 C GLY A 26 7.075 -7.848 -3.256 1.00 0.00 C ATOM 364 O GLY A 26 7.267 -9.008 -2.884 1.00 0.00 O ATOM 0 H GLY A 26 7.377 -5.494 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.524 -7.707 -5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.932 -7.608 -4.317 1.00 0.00 H new ATOM 368 N LEU A 27 6.171 -7.065 -2.661 1.00 0.00 N ATOM 369 CA LEU A 27 5.385 -7.472 -1.496 1.00 0.00 C ATOM 370 C LEU A 27 4.227 -8.363 -1.942 1.00 0.00 C ATOM 371 O LEU A 27 3.761 -8.266 -3.080 1.00 0.00 O ATOM 372 CB LEU A 27 4.823 -6.240 -0.773 1.00 0.00 C ATOM 373 CG LEU A 27 5.885 -5.309 -0.160 1.00 0.00 C ATOM 374 CD1 LEU A 27 5.261 -3.943 0.147 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.468 -5.897 1.130 1.00 0.00 C ATOM 0 H LEU A 27 5.963 -6.119 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 27 6.034 -8.022 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.221 -5.666 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.154 -6.575 0.019 1.00 0.00 H new ATOM 0 HG LEU A 27 6.692 -5.200 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.016 -3.287 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.882 -3.501 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.440 -4.068 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.214 -5.214 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.670 -6.038 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.935 -6.858 0.913 1.00 0.00 H new ATOM 387 N THR A 28 3.727 -9.221 -1.056 1.00 0.00 N ATOM 388 CA THR A 28 2.560 -10.066 -1.309 1.00 0.00 C ATOM 389 C THR A 28 1.277 -9.380 -0.821 1.00 0.00 C ATOM 390 O THR A 28 1.323 -8.381 -0.095 1.00 0.00 O ATOM 391 CB THR A 28 2.764 -11.450 -0.660 1.00 0.00 C ATOM 392 OG1 THR A 28 2.931 -11.378 0.745 1.00 0.00 O ATOM 393 CG2 THR A 28 3.976 -12.179 -1.239 1.00 0.00 C ATOM 0 H THR A 28 4.127 -9.352 -0.127 1.00 0.00 H new ATOM 0 HA THR A 28 2.449 -10.216 -2.383 1.00 0.00 H new ATOM 0 HB THR A 28 1.852 -12.002 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.861 -11.149 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.083 -13.149 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.837 -12.322 -2.311 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.874 -11.586 -1.066 1.00 0.00 H new ATOM 401 N GLN A 29 0.113 -9.937 -1.162 1.00 0.00 N ATOM 402 CA GLN A 29 -1.151 -9.575 -0.526 1.00 0.00 C ATOM 403 C GLN A 29 -1.097 -9.871 0.978 1.00 0.00 C ATOM 404 O GLN A 29 -1.570 -9.071 1.782 1.00 0.00 O ATOM 405 CB GLN A 29 -2.324 -10.313 -1.195 1.00 0.00 C ATOM 406 CG GLN A 29 -2.553 -9.789 -2.619 1.00 0.00 C ATOM 407 CD GLN A 29 -3.902 -10.207 -3.201 1.00 0.00 C ATOM 408 OE1 GLN A 29 -4.200 -11.387 -3.360 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.740 -9.245 -3.538 1.00 0.00 N ATOM 0 H GLN A 29 0.022 -10.650 -1.886 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.312 -8.505 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.118 -11.383 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.229 -10.179 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.487 -8.701 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.756 -10.154 -3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.478 -8.269 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.650 -9.477 -3.937 1.00 0.00 H new ATOM 418 N LYS A 30 -0.468 -10.980 1.379 1.00 0.00 N ATOM 419 CA LYS A 30 -0.261 -11.319 2.784 1.00 0.00 C ATOM 420 C LYS A 30 0.559 -10.245 3.498 1.00 0.00 C ATOM 421 O LYS A 30 0.242 -9.894 4.635 1.00 0.00 O ATOM 422 CB LYS A 30 0.369 -12.721 2.882 1.00 0.00 C ATOM 423 CG LYS A 30 -0.540 -13.713 3.622 1.00 0.00 C ATOM 424 CD LYS A 30 -0.465 -13.594 5.148 1.00 0.00 C ATOM 425 CE LYS A 30 0.814 -14.259 5.665 1.00 0.00 C ATOM 426 NZ LYS A 30 0.845 -14.326 7.137 1.00 0.00 N ATOM 0 H LYS A 30 -0.087 -11.670 0.731 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.221 -11.348 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.574 -13.097 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.326 -12.652 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.571 -13.555 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.269 -14.728 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.482 -12.544 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.338 -14.065 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.891 -15.266 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.681 -13.703 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.727 -14.783 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.798 -13.364 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.032 -14.878 7.477 1.00 0.00 H new ATOM 440 N ASP A 31 1.564 -9.680 2.831 1.00 0.00 N ATOM 441 CA ASP A 31 2.371 -8.598 3.392 1.00 0.00 C ATOM 442 C ASP A 31 1.531 -7.337 3.557 1.00 0.00 C ATOM 443 O ASP A 31 1.716 -6.594 4.514 1.00 0.00 O ATOM 444 CB ASP A 31 3.583 -8.289 2.501 1.00 0.00 C ATOM 445 CG ASP A 31 4.618 -9.405 2.519 1.00 0.00 C ATOM 446 OD1 ASP A 31 5.042 -9.816 3.624 1.00 0.00 O ATOM 447 OD2 ASP A 31 4.967 -9.898 1.419 1.00 0.00 O ATOM 0 H ASP A 31 1.841 -9.958 1.890 1.00 0.00 H new ATOM 0 HA ASP A 31 2.729 -8.927 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.246 -8.127 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.048 -7.361 2.834 1.00 0.00 H new ATOM 452 N LEU A 32 0.588 -7.081 2.645 1.00 0.00 N ATOM 453 CA LEU A 32 -0.306 -5.927 2.716 1.00 0.00 C ATOM 454 C LEU A 32 -1.206 -6.064 3.944 1.00 0.00 C ATOM 455 O LEU A 32 -1.262 -5.155 4.767 1.00 0.00 O ATOM 456 CB LEU A 32 -1.121 -5.815 1.412 1.00 0.00 C ATOM 457 CG LEU A 32 -1.586 -4.394 1.030 1.00 0.00 C ATOM 458 CD1 LEU A 32 -2.189 -3.578 2.176 1.00 0.00 C ATOM 459 CD2 LEU A 32 -0.424 -3.606 0.426 1.00 0.00 C ATOM 0 H LEU A 32 0.425 -7.675 1.832 1.00 0.00 H new ATOM 0 HA LEU A 32 0.270 -5.008 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.519 -6.212 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.000 -6.453 1.499 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.388 -4.548 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.485 -2.596 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.063 -4.096 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.449 -3.461 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.763 -2.605 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.384 -3.534 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.064 -4.116 -0.467 1.00 0.00 H new ATOM 471 N ALA A 33 -1.838 -7.231 4.107 1.00 0.00 N ATOM 472 CA ALA A 33 -2.670 -7.572 5.257 1.00 0.00 C ATOM 473 C ALA A 33 -1.903 -7.314 6.546 1.00 0.00 C ATOM 474 O ALA A 33 -2.440 -6.727 7.480 1.00 0.00 O ATOM 475 CB ALA A 33 -3.060 -9.048 5.176 1.00 0.00 C ATOM 0 H ALA A 33 -1.781 -7.983 3.421 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.568 -6.955 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.682 -9.308 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.617 -9.227 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.160 -9.663 5.181 1.00 0.00 H new ATOM 481 N THR A 34 -0.644 -7.740 6.577 1.00 0.00 N ATOM 482 CA THR A 34 0.253 -7.576 7.703 1.00 0.00 C ATOM 483 C THR A 34 0.493 -6.085 7.967 1.00 0.00 C ATOM 484 O THR A 34 0.233 -5.611 9.075 1.00 0.00 O ATOM 485 CB THR A 34 1.517 -8.398 7.414 1.00 0.00 C ATOM 486 OG1 THR A 34 1.137 -9.734 7.136 1.00 0.00 O ATOM 487 CG2 THR A 34 2.480 -8.450 8.597 1.00 0.00 C ATOM 0 H THR A 34 -0.211 -8.224 5.790 1.00 0.00 H new ATOM 0 HA THR A 34 -0.170 -7.956 8.633 1.00 0.00 H new ATOM 0 HB THR A 34 2.020 -7.915 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.927 -9.823 6.183 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.353 -9.045 8.330 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.795 -7.439 8.854 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.980 -8.903 9.453 1.00 0.00 H new ATOM 495 N LYS A 35 0.886 -5.324 6.944 1.00 0.00 N ATOM 496 CA LYS A 35 1.173 -3.890 7.020 1.00 0.00 C ATOM 497 C LYS A 35 -0.003 -3.037 7.502 1.00 0.00 C ATOM 498 O LYS A 35 0.224 -1.916 7.967 1.00 0.00 O ATOM 499 CB LYS A 35 1.628 -3.420 5.630 1.00 0.00 C ATOM 500 CG LYS A 35 3.158 -3.459 5.486 1.00 0.00 C ATOM 501 CD LYS A 35 3.611 -3.626 4.024 1.00 0.00 C ATOM 502 CE LYS A 35 4.942 -2.928 3.705 1.00 0.00 C ATOM 503 NZ LYS A 35 6.005 -3.183 4.698 1.00 0.00 N ATOM 0 H LYS A 35 1.018 -5.703 6.006 1.00 0.00 H new ATOM 0 HA LYS A 35 1.953 -3.755 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.175 -4.052 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.272 -2.405 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.581 -2.540 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.554 -4.281 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.706 -4.689 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.837 -3.231 3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.288 -3.257 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.771 -1.854 3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.902 -2.780 4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.748 -2.740 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.115 -4.208 4.833 1.00 0.00 H new ATOM 517 N ILE A 36 -1.241 -3.529 7.407 1.00 0.00 N ATOM 518 CA ILE A 36 -2.435 -2.826 7.878 1.00 0.00 C ATOM 519 C ILE A 36 -3.118 -3.568 9.040 1.00 0.00 C ATOM 520 O ILE A 36 -4.144 -3.113 9.544 1.00 0.00 O ATOM 521 CB ILE A 36 -3.371 -2.511 6.690 1.00 0.00 C ATOM 522 CG1 ILE A 36 -4.106 -3.764 6.188 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.612 -1.799 5.555 1.00 0.00 C ATOM 524 CD1 ILE A 36 -5.124 -3.456 5.089 1.00 0.00 C ATOM 0 H ILE A 36 -1.444 -4.440 6.995 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.139 -1.867 8.302 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.136 -1.825 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.376 -4.480 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.616 -4.240 7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.298 -1.591 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.196 -0.863 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.804 -2.439 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.611 -4.379 4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.873 -2.763 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.615 -3.006 4.237 1.00 0.00 H new ATOM 536 N ASN A 37 -2.544 -4.680 9.501 1.00 0.00 N ATOM 537 CA ASN A 37 -3.080 -5.567 10.537 1.00 0.00 C ATOM 538 C ASN A 37 -4.539 -5.992 10.267 1.00 0.00 C ATOM 539 O ASN A 37 -5.426 -5.813 11.103 1.00 0.00 O ATOM 540 CB ASN A 37 -2.865 -4.932 11.923 1.00 0.00 C ATOM 541 CG ASN A 37 -3.014 -5.958 13.037 1.00 0.00 C ATOM 542 OD1 ASN A 37 -2.160 -6.817 13.210 1.00 0.00 O ATOM 543 ND2 ASN A 37 -4.035 -5.866 13.868 1.00 0.00 N ATOM 0 H ASN A 37 -1.645 -5.004 9.144 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.524 -6.505 10.514 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.872 -4.485 11.969 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.584 -4.126 12.071 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.112 -6.511 14.654 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.747 -5.150 13.724 1.00 0.00 H new ATOM 550 N GLU A 38 -4.796 -6.576 9.094 1.00 0.00 N ATOM 551 CA GLU A 38 -6.072 -7.155 8.646 1.00 0.00 C ATOM 552 C GLU A 38 -5.843 -8.588 8.144 1.00 0.00 C ATOM 553 O GLU A 38 -4.757 -9.145 8.333 1.00 0.00 O ATOM 554 CB GLU A 38 -6.709 -6.267 7.558 1.00 0.00 C ATOM 555 CG GLU A 38 -7.608 -5.160 8.140 1.00 0.00 C ATOM 556 CD GLU A 38 -8.837 -5.694 8.890 1.00 0.00 C ATOM 557 OE1 GLU A 38 -9.308 -6.818 8.616 1.00 0.00 O ATOM 558 OE2 GLU A 38 -9.359 -5.008 9.804 1.00 0.00 O ATOM 0 H GLU A 38 -4.071 -6.665 8.382 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.767 -7.197 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.920 -5.811 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.298 -6.891 6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.018 -4.545 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.941 -4.511 7.330 1.00 0.00 H new ATOM 565 N LYS A 39 -6.872 -9.256 7.611 1.00 0.00 N ATOM 566 CA LYS A 39 -6.773 -10.578 6.991 1.00 0.00 C ATOM 567 C LYS A 39 -6.448 -10.441 5.503 1.00 0.00 C ATOM 568 O LYS A 39 -6.960 -9.525 4.867 1.00 0.00 O ATOM 569 CB LYS A 39 -8.114 -11.316 7.124 1.00 0.00 C ATOM 570 CG LYS A 39 -8.745 -11.188 8.517 1.00 0.00 C ATOM 571 CD LYS A 39 -9.792 -10.077 8.626 1.00 0.00 C ATOM 572 CE LYS A 39 -9.805 -9.524 10.050 1.00 0.00 C ATOM 573 NZ LYS A 39 -10.981 -8.670 10.264 1.00 0.00 N ATOM 0 H LYS A 39 -7.820 -8.881 7.600 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.982 -11.135 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.810 -10.926 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.963 -12.371 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.209 -12.138 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.956 -11.003 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.566 -9.280 7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.777 -10.465 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.812 -10.347 10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.895 -8.951 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.134 -8.539 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.824 -7.745 9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.819 -9.121 9.843 1.00 0.00 H new ATOM 587 N PRO A 40 -5.685 -11.367 4.903 1.00 0.00 N ATOM 588 CA PRO A 40 -5.360 -11.316 3.482 1.00 0.00 C ATOM 589 C PRO A 40 -6.562 -11.512 2.555 1.00 0.00 C ATOM 590 O PRO A 40 -6.473 -11.116 1.396 1.00 0.00 O ATOM 591 CB PRO A 40 -4.242 -12.335 3.264 1.00 0.00 C ATOM 592 CG PRO A 40 -4.333 -13.272 4.466 1.00 0.00 C ATOM 593 CD PRO A 40 -4.978 -12.443 5.568 1.00 0.00 C ATOM 0 HA PRO A 40 -5.026 -10.315 3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.377 -12.877 2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.268 -11.849 3.213 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.931 -14.153 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.347 -13.626 4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.662 -13.050 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.225 -12.050 6.251 1.00 0.00 H new ATOM 601 N GLN A 41 -7.691 -12.037 3.045 1.00 0.00 N ATOM 602 CA GLN A 41 -8.908 -12.085 2.245 1.00 0.00 C ATOM 603 C GLN A 41 -9.368 -10.676 1.870 1.00 0.00 C ATOM 604 O GLN A 41 -9.766 -10.462 0.726 1.00 0.00 O ATOM 605 CB GLN A 41 -10.016 -12.837 2.997 1.00 0.00 C ATOM 606 CG GLN A 41 -11.331 -12.901 2.202 1.00 0.00 C ATOM 607 CD GLN A 41 -11.148 -13.586 0.855 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.904 -14.789 0.786 1.00 0.00 O ATOM 609 NE2 GLN A 41 -11.264 -12.880 -0.253 1.00 0.00 N ATOM 0 H GLN A 41 -7.782 -12.429 3.982 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.691 -12.625 1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.678 -13.850 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.198 -12.347 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.081 -13.438 2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.711 -11.891 2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.466 -11.882 -0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.151 -13.332 -1.160 1.00 0.00 H new ATOM 618 N VAL A 42 -9.336 -9.720 2.808 1.00 0.00 N ATOM 619 CA VAL A 42 -9.837 -8.387 2.493 1.00 0.00 C ATOM 620 C VAL A 42 -8.969 -7.772 1.394 1.00 0.00 C ATOM 621 O VAL A 42 -9.493 -7.063 0.549 1.00 0.00 O ATOM 622 CB VAL A 42 -10.010 -7.489 3.744 1.00 0.00 C ATOM 623 CG1 VAL A 42 -10.522 -8.282 4.958 1.00 0.00 C ATOM 624 CG2 VAL A 42 -8.774 -6.682 4.170 1.00 0.00 C ATOM 0 H VAL A 42 -8.981 -9.842 3.756 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.852 -8.473 2.106 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.753 -6.763 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.628 -7.612 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.490 -8.725 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.812 -9.072 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.012 -6.092 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.955 -7.364 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.477 -6.017 3.359 1.00 0.00 H new ATOM 634 N ILE A 43 -7.672 -8.090 1.359 1.00 0.00 N ATOM 635 CA ILE A 43 -6.730 -7.625 0.350 1.00 0.00 C ATOM 636 C ILE A 43 -7.144 -8.157 -1.025 1.00 0.00 C ATOM 637 O ILE A 43 -7.205 -7.393 -1.985 1.00 0.00 O ATOM 638 CB ILE A 43 -5.295 -8.043 0.738 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.930 -7.705 2.198 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.263 -7.448 -0.223 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.151 -6.250 2.611 1.00 0.00 C ATOM 0 H ILE A 43 -7.240 -8.697 2.056 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.744 -6.536 0.296 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.272 -9.130 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.516 -8.345 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.881 -7.955 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.263 -7.761 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.464 -7.798 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.326 -6.360 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.864 -6.120 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.544 -5.597 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.203 -5.993 2.490 1.00 0.00 H new ATOM 653 N ALA A 44 -7.471 -9.450 -1.128 1.00 0.00 N ATOM 654 CA ALA A 44 -7.980 -10.019 -2.372 1.00 0.00 C ATOM 655 C ALA A 44 -9.197 -9.238 -2.880 1.00 0.00 C ATOM 656 O ALA A 44 -9.331 -9.003 -4.083 1.00 0.00 O ATOM 657 CB ALA A 44 -8.304 -11.504 -2.186 1.00 0.00 C ATOM 0 H ALA A 44 -7.391 -10.119 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.203 -9.936 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.682 -11.914 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.401 -12.040 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.060 -11.617 -1.409 1.00 0.00 H new ATOM 663 N ASP A 45 -10.083 -8.828 -1.973 1.00 0.00 N ATOM 664 CA ASP A 45 -11.300 -8.098 -2.312 1.00 0.00 C ATOM 665 C ASP A 45 -11.041 -6.609 -2.567 1.00 0.00 C ATOM 666 O ASP A 45 -11.749 -5.998 -3.376 1.00 0.00 O ATOM 667 CB ASP A 45 -12.358 -8.331 -1.224 1.00 0.00 C ATOM 668 CG ASP A 45 -13.078 -9.646 -1.497 1.00 0.00 C ATOM 669 OD1 ASP A 45 -13.848 -9.710 -2.484 1.00 0.00 O ATOM 670 OD2 ASP A 45 -12.823 -10.664 -0.817 1.00 0.00 O ATOM 0 H ASP A 45 -9.973 -8.996 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.683 -8.487 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.887 -8.358 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.072 -7.508 -1.212 1.00 0.00 H new ATOM 675 N TYR A 46 -10.018 -6.012 -1.949 1.00 0.00 N ATOM 676 CA TYR A 46 -9.563 -4.654 -2.231 1.00 0.00 C ATOM 677 C TYR A 46 -9.074 -4.586 -3.674 1.00 0.00 C ATOM 678 O TYR A 46 -9.577 -3.769 -4.447 1.00 0.00 O ATOM 679 CB TYR A 46 -8.509 -4.159 -1.238 1.00 0.00 C ATOM 680 CG TYR A 46 -9.090 -3.275 -0.146 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.308 -1.901 -0.378 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.417 -3.820 1.107 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.891 -1.094 0.620 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.999 -3.028 2.108 1.00 0.00 C ATOM 685 CZ TYR A 46 -10.279 -1.666 1.852 1.00 0.00 C ATOM 686 OH TYR A 46 -10.908 -0.903 2.786 1.00 0.00 O ATOM 0 H TYR A 46 -9.472 -6.474 -1.222 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.406 -3.975 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.018 -5.018 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.742 -3.604 -1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.027 -1.465 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.218 -4.863 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.041 -0.039 0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.232 -3.457 3.071 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.107 -1.449 3.575 1.00 0.00 H new ATOM 696 N GLU A 47 -8.176 -5.481 -4.074 1.00 0.00 N ATOM 697 CA GLU A 47 -7.698 -5.592 -5.423 1.00 0.00 C ATOM 698 C GLU A 47 -8.778 -5.890 -6.454 1.00 0.00 C ATOM 699 O GLU A 47 -8.727 -5.304 -7.539 1.00 0.00 O ATOM 700 CB GLU A 47 -6.664 -6.696 -5.416 1.00 0.00 C ATOM 701 CG GLU A 47 -5.308 -6.119 -5.054 1.00 0.00 C ATOM 702 CD GLU A 47 -4.966 -5.937 -3.583 1.00 0.00 C ATOM 703 OE1 GLU A 47 -5.606 -5.149 -2.857 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.929 -6.551 -3.231 1.00 0.00 O ATOM 0 H GLU A 47 -7.757 -6.162 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.290 -4.628 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.946 -7.468 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.619 -7.172 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.546 -6.762 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.222 -5.146 -5.537 1.00 0.00 H new ATOM 711 N SER A 48 -9.703 -6.803 -6.139 1.00 0.00 N ATOM 712 CA SER A 48 -10.760 -7.207 -7.058 1.00 0.00 C ATOM 713 C SER A 48 -11.733 -6.048 -7.309 1.00 0.00 C ATOM 714 O SER A 48 -12.203 -5.874 -8.437 1.00 0.00 O ATOM 715 CB SER A 48 -11.504 -8.421 -6.471 1.00 0.00 C ATOM 716 OG SER A 48 -12.237 -9.125 -7.454 1.00 0.00 O ATOM 0 H SER A 48 -9.736 -7.280 -5.238 1.00 0.00 H new ATOM 0 HA SER A 48 -10.317 -7.483 -8.015 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.785 -9.095 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.182 -8.085 -5.686 1.00 0.00 H new ATOM 0 HG SER A 48 -12.692 -9.888 -7.039 1.00 0.00 H new ATOM 722 N GLY A 49 -12.035 -5.249 -6.280 1.00 0.00 N ATOM 723 CA GLY A 49 -13.012 -4.163 -6.340 1.00 0.00 C ATOM 724 C GLY A 49 -14.225 -4.358 -5.430 1.00 0.00 C ATOM 725 O GLY A 49 -15.153 -3.559 -5.509 1.00 0.00 O ATOM 0 H GLY A 49 -11.596 -5.343 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.517 -3.230 -6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.357 -4.057 -7.368 1.00 0.00 H new ATOM 729 N ARG A 50 -14.280 -5.428 -4.626 1.00 0.00 N ATOM 730 CA ARG A 50 -15.481 -5.801 -3.872 1.00 0.00 C ATOM 731 C ARG A 50 -15.415 -5.438 -2.392 1.00 0.00 C ATOM 732 O ARG A 50 -16.448 -5.494 -1.722 1.00 0.00 O ATOM 733 CB ARG A 50 -15.741 -7.305 -4.006 1.00 0.00 C ATOM 734 CG ARG A 50 -16.031 -7.735 -5.452 1.00 0.00 C ATOM 735 CD ARG A 50 -16.831 -9.041 -5.508 1.00 0.00 C ATOM 736 NE ARG A 50 -16.056 -10.215 -5.065 1.00 0.00 N ATOM 737 CZ ARG A 50 -16.558 -11.450 -4.915 1.00 0.00 C ATOM 738 NH1 ARG A 50 -17.860 -11.675 -5.044 1.00 0.00 N ATOM 739 NH2 ARG A 50 -15.751 -12.465 -4.630 1.00 0.00 N ATOM 0 H ARG A 50 -13.492 -6.059 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.297 -5.224 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.874 -7.853 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.585 -7.580 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.586 -6.947 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.091 -7.861 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.719 -8.943 -4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.176 -9.205 -6.529 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.067 -10.078 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.492 -10.904 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.228 -12.619 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.749 -12.306 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.133 -13.404 -4.516 1.00 0.00 H new ATOM 753 N ALA A 51 -14.244 -5.106 -1.845 1.00 0.00 N ATOM 754 CA ALA A 51 -14.166 -4.635 -0.467 1.00 0.00 C ATOM 755 C ALA A 51 -14.933 -3.315 -0.362 1.00 0.00 C ATOM 756 O ALA A 51 -14.995 -2.565 -1.339 1.00 0.00 O ATOM 757 CB ALA A 51 -12.707 -4.448 -0.040 1.00 0.00 C ATOM 0 H ALA A 51 -13.348 -5.155 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.610 -5.374 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.672 -4.096 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.181 -5.399 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.229 -3.715 -0.690 1.00 0.00 H new ATOM 763 N ILE A 52 -15.485 -2.995 0.809 1.00 0.00 N ATOM 764 CA ILE A 52 -15.952 -1.640 1.070 1.00 0.00 C ATOM 765 C ILE A 52 -14.704 -0.824 1.422 1.00 0.00 C ATOM 766 O ILE A 52 -14.071 -1.134 2.437 1.00 0.00 O ATOM 767 CB ILE A 52 -17.005 -1.582 2.189 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.167 -2.567 1.968 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.534 -0.141 2.295 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.874 -2.468 0.610 1.00 0.00 C ATOM 0 H ILE A 52 -15.617 -3.649 1.581 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.459 -1.235 0.194 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.525 -1.882 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.786 -3.582 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.906 -2.411 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.282 -0.085 3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.710 0.533 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.985 0.152 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.675 -3.206 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.294 -1.469 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.157 -2.658 -0.188 1.00 0.00 H new ATOM 782 N PRO A 53 -14.314 0.189 0.637 1.00 0.00 N ATOM 783 CA PRO A 53 -13.200 1.036 1.009 1.00 0.00 C ATOM 784 C PRO A 53 -13.617 1.912 2.193 1.00 0.00 C ATOM 785 O PRO A 53 -14.753 2.400 2.268 1.00 0.00 O ATOM 786 CB PRO A 53 -12.854 1.835 -0.243 1.00 0.00 C ATOM 787 CG PRO A 53 -14.153 1.875 -1.047 1.00 0.00 C ATOM 788 CD PRO A 53 -14.987 0.697 -0.545 1.00 0.00 C ATOM 0 HA PRO A 53 -12.320 0.484 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.513 2.839 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.053 1.359 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.678 2.818 -0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.955 1.787 -2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -16.002 1.014 -0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.065 -0.076 -1.309 1.00 0.00 H new ATOM 796 N ASN A 54 -12.698 2.139 3.133 1.00 0.00 N ATOM 797 CA ASN A 54 -12.898 3.127 4.182 1.00 0.00 C ATOM 798 C ASN A 54 -11.635 3.937 4.380 1.00 0.00 C ATOM 799 O ASN A 54 -10.549 3.395 4.204 1.00 0.00 O ATOM 800 CB ASN A 54 -13.313 2.468 5.505 1.00 0.00 C ATOM 801 CG ASN A 54 -13.837 3.528 6.466 1.00 0.00 C ATOM 802 OD1 ASN A 54 -14.427 4.514 6.025 1.00 0.00 O ATOM 803 ND2 ASN A 54 -13.606 3.379 7.754 1.00 0.00 N ATOM 0 H ASN A 54 -11.806 1.647 3.185 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.707 3.788 3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.082 1.717 5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.461 1.951 5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.919 4.091 8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.115 2.551 8.092 1.00 0.00 H new ATOM 810 N ASN A 55 -11.773 5.194 4.801 1.00 0.00 N ATOM 811 CA ASN A 55 -10.682 6.151 4.959 1.00 0.00 C ATOM 812 C ASN A 55 -9.595 5.599 5.870 1.00 0.00 C ATOM 813 O ASN A 55 -8.411 5.724 5.562 1.00 0.00 O ATOM 814 CB ASN A 55 -11.258 7.458 5.527 1.00 0.00 C ATOM 815 CG ASN A 55 -10.249 8.583 5.758 1.00 0.00 C ATOM 816 OD1 ASN A 55 -9.246 8.436 6.454 1.00 0.00 O ATOM 817 ND2 ASN A 55 -10.512 9.761 5.219 1.00 0.00 N ATOM 0 H ASN A 55 -12.681 5.586 5.050 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.222 6.340 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.028 7.820 4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.749 7.235 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.883 10.548 5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.344 9.883 4.642 1.00 0.00 H new ATOM 824 N GLN A 56 -10.018 4.947 6.956 1.00 0.00 N ATOM 825 CA GLN A 56 -9.146 4.263 7.894 1.00 0.00 C ATOM 826 C GLN A 56 -8.240 3.288 7.150 1.00 0.00 C ATOM 827 O GLN A 56 -7.019 3.413 7.225 1.00 0.00 O ATOM 828 CB GLN A 56 -9.981 3.520 8.947 1.00 0.00 C ATOM 829 CG GLN A 56 -10.820 4.483 9.790 1.00 0.00 C ATOM 830 CD GLN A 56 -11.604 3.759 10.875 1.00 0.00 C ATOM 831 OE1 GLN A 56 -12.149 2.679 10.654 1.00 0.00 O ATOM 832 NE2 GLN A 56 -11.664 4.331 12.059 1.00 0.00 N ATOM 0 H GLN A 56 -11.004 4.883 7.207 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.524 5.001 8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.637 2.804 8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.320 2.948 9.598 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.167 5.225 10.249 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.511 5.023 9.143 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.203 5.227 12.216 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.171 3.878 12.819 1.00 0.00 H new ATOM 841 N VAL A 57 -8.828 2.315 6.453 1.00 0.00 N ATOM 842 CA VAL A 57 -8.088 1.272 5.764 1.00 0.00 C ATOM 843 C VAL A 57 -7.258 1.885 4.645 1.00 0.00 C ATOM 844 O VAL A 57 -6.053 1.670 4.632 1.00 0.00 O ATOM 845 CB VAL A 57 -9.026 0.160 5.275 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.201 -0.973 4.657 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.836 -0.410 6.449 1.00 0.00 C ATOM 0 H VAL A 57 -9.840 2.233 6.354 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.397 0.796 6.460 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.705 0.581 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.869 -1.762 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.627 -0.587 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.520 -1.377 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.497 -1.198 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.156 -0.821 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.431 0.384 6.900 1.00 0.00 H new ATOM 857 N LEU A 58 -7.860 2.698 3.774 1.00 0.00 N ATOM 858 CA LEU A 58 -7.182 3.433 2.711 1.00 0.00 C ATOM 859 C LEU A 58 -5.898 4.076 3.230 1.00 0.00 C ATOM 860 O LEU A 58 -4.846 3.865 2.639 1.00 0.00 O ATOM 861 CB LEU A 58 -8.115 4.505 2.123 1.00 0.00 C ATOM 862 CG LEU A 58 -9.252 3.965 1.235 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.225 5.112 0.953 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.738 3.404 -0.093 1.00 0.00 C ATOM 0 H LEU A 58 -8.866 2.866 3.792 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.918 2.727 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.554 5.072 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.517 5.203 1.537 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.740 3.147 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.040 4.752 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.630 5.485 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.699 5.917 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.578 3.036 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.224 4.190 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.045 2.585 0.102 1.00 0.00 H new ATOM 876 N GLY A 59 -5.954 4.812 4.343 1.00 0.00 N ATOM 877 CA GLY A 59 -4.784 5.457 4.923 1.00 0.00 C ATOM 878 C GLY A 59 -3.704 4.466 5.353 1.00 0.00 C ATOM 879 O GLY A 59 -2.521 4.752 5.198 1.00 0.00 O ATOM 0 H GLY A 59 -6.815 4.975 4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.362 6.152 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.092 6.046 5.787 1.00 0.00 H new ATOM 883 N LYS A 60 -4.079 3.290 5.863 1.00 0.00 N ATOM 884 CA LYS A 60 -3.128 2.240 6.224 1.00 0.00 C ATOM 885 C LYS A 60 -2.499 1.681 4.950 1.00 0.00 C ATOM 886 O LYS A 60 -1.286 1.494 4.895 1.00 0.00 O ATOM 887 CB LYS A 60 -3.839 1.128 7.008 1.00 0.00 C ATOM 888 CG LYS A 60 -4.548 1.616 8.281 1.00 0.00 C ATOM 889 CD LYS A 60 -5.729 0.718 8.650 1.00 0.00 C ATOM 890 CE LYS A 60 -5.408 -0.550 9.395 1.00 0.00 C ATOM 891 NZ LYS A 60 -5.068 -0.343 10.811 1.00 0.00 N ATOM 0 H LYS A 60 -5.053 3.041 6.037 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.346 2.655 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.571 0.650 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.109 0.366 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.837 1.640 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.900 2.637 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.424 1.301 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.252 0.450 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.263 -1.223 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.574 -1.048 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.860 -1.260 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.233 0.273 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.870 0.104 11.299 1.00 0.00 H new ATOM 905 N ILE A 61 -3.308 1.428 3.917 1.00 0.00 N ATOM 906 CA ILE A 61 -2.835 0.951 2.622 1.00 0.00 C ATOM 907 C ILE A 61 -1.847 1.964 2.038 1.00 0.00 C ATOM 908 O ILE A 61 -0.871 1.555 1.408 1.00 0.00 O ATOM 909 CB ILE A 61 -4.003 0.675 1.650 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.969 -0.411 2.161 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.475 0.226 0.275 1.00 0.00 C ATOM 912 CD1 ILE A 61 -6.089 -0.641 1.143 1.00 0.00 C ATOM 0 H ILE A 61 -4.320 1.551 3.961 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.324 -0.001 2.767 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.547 1.617 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.426 -1.340 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.394 -0.109 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.315 0.037 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.845 1.009 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.891 -0.687 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.766 -1.410 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.641 0.287 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.658 -0.963 0.195 1.00 0.00 H new ATOM 924 N GLU A 62 -2.043 3.273 2.241 1.00 0.00 N ATOM 925 CA GLU A 62 -1.066 4.239 1.744 1.00 0.00 C ATOM 926 C GLU A 62 0.311 3.932 2.329 1.00 0.00 C ATOM 927 O GLU A 62 1.292 3.862 1.601 1.00 0.00 O ATOM 928 CB GLU A 62 -1.424 5.707 2.054 1.00 0.00 C ATOM 929 CG GLU A 62 -2.693 6.238 1.388 1.00 0.00 C ATOM 930 CD GLU A 62 -3.035 7.679 1.787 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.267 8.622 1.489 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.137 7.910 2.340 1.00 0.00 O ATOM 0 H GLU A 62 -2.843 3.675 2.730 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.067 4.134 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.531 5.815 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.587 6.337 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.574 6.187 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.529 5.589 1.648 1.00 0.00 H new ATOM 939 N ARG A 63 0.388 3.648 3.629 1.00 0.00 N ATOM 940 CA ARG A 63 1.629 3.306 4.334 1.00 0.00 C ATOM 941 C ARG A 63 2.143 1.910 4.002 1.00 0.00 C ATOM 942 O ARG A 63 3.280 1.579 4.335 1.00 0.00 O ATOM 943 CB ARG A 63 1.397 3.424 5.846 1.00 0.00 C ATOM 944 CG ARG A 63 0.843 4.810 6.183 1.00 0.00 C ATOM 945 CD ARG A 63 0.647 4.986 7.681 1.00 0.00 C ATOM 946 NE ARG A 63 -0.081 6.226 7.971 1.00 0.00 N ATOM 947 CZ ARG A 63 -0.947 6.453 8.963 1.00 0.00 C ATOM 948 NH1 ARG A 63 -1.398 5.470 9.742 1.00 0.00 N ATOM 949 NH2 ARG A 63 -1.363 7.698 9.163 1.00 0.00 N ATOM 0 H ARG A 63 -0.430 3.649 4.239 1.00 0.00 H new ATOM 0 HA ARG A 63 2.393 4.008 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.700 2.654 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.332 3.257 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.525 5.575 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.108 4.956 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.098 4.135 8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.616 5.004 8.179 1.00 0.00 H new ATOM 0 HE ARG A 63 0.095 7.008 7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.082 4.512 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.059 5.675 10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.022 8.452 8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.024 7.901 9.913 1.00 0.00 H new ATOM 963 N ALA A 64 1.304 1.088 3.377 1.00 0.00 N ATOM 964 CA ALA A 64 1.631 -0.272 2.984 1.00 0.00 C ATOM 965 C ALA A 64 2.585 -0.295 1.781 1.00 0.00 C ATOM 966 O ALA A 64 3.512 -1.103 1.754 1.00 0.00 O ATOM 967 CB ALA A 64 0.332 -1.033 2.689 1.00 0.00 C ATOM 0 H ALA A 64 0.354 1.361 3.125 1.00 0.00 H new ATOM 0 HA ALA A 64 2.154 -0.766 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.568 -2.055 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.291 -1.049 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.205 -0.536 1.881 1.00 0.00 H new ATOM 973 N ILE A 65 2.363 0.571 0.787 1.00 0.00 N ATOM 974 CA ILE A 65 3.171 0.649 -0.441 1.00 0.00 C ATOM 975 C ILE A 65 3.890 2.006 -0.560 1.00 0.00 C ATOM 976 O ILE A 65 4.842 2.147 -1.329 1.00 0.00 O ATOM 977 CB ILE A 65 2.297 0.363 -1.676 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.094 1.329 -1.788 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.858 -1.111 -1.613 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.417 1.278 -3.159 1.00 0.00 C ATOM 0 H ILE A 65 1.603 1.251 0.811 1.00 0.00 H new ATOM 0 HA ILE A 65 3.945 -0.116 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 65 2.879 0.536 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.363 1.082 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.432 2.347 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.236 -1.343 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.739 -1.753 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.288 -1.282 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.420 1.977 -3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.136 1.552 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.051 0.269 -3.347 1.00 0.00 H new ATOM 992 N GLY A 66 3.452 3.004 0.205 1.00 0.00 N ATOM 993 CA GLY A 66 3.975 4.360 0.215 1.00 0.00 C ATOM 994 C GLY A 66 3.461 5.205 -0.937 1.00 0.00 C ATOM 995 O GLY A 66 4.160 6.138 -1.335 1.00 0.00 O ATOM 0 H GLY A 66 2.685 2.878 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.708 4.839 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.064 4.324 0.174 1.00 0.00 H new ATOM 999 N LEU A 67 2.244 4.945 -1.425 1.00 0.00 N ATOM 1000 CA LEU A 67 1.580 5.763 -2.435 1.00 0.00 C ATOM 1001 C LEU A 67 0.229 6.228 -1.903 1.00 0.00 C ATOM 1002 O LEU A 67 -0.278 5.672 -0.937 1.00 0.00 O ATOM 1003 CB LEU A 67 1.399 4.998 -3.763 1.00 0.00 C ATOM 1004 CG LEU A 67 2.671 4.417 -4.413 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.294 3.686 -5.710 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.726 5.490 -4.720 1.00 0.00 C ATOM 0 H LEU A 67 1.687 4.146 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 67 2.211 6.627 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.702 4.178 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.928 5.670 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 67 3.113 3.726 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.192 3.275 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.600 2.877 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.822 4.387 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.599 5.022 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.308 6.225 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.022 5.985 -3.795 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.354 7.246 -2.531 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.689 7.765 -2.315 1.00 0.00 C ATOM 1020 C LYS A 68 -2.683 6.767 -2.876 1.00 0.00 C ATOM 1021 O LYS A 68 -2.553 6.349 -4.027 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.813 9.108 -3.055 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.130 10.237 -2.270 1.00 0.00 C ATOM 1024 CD LYS A 68 -0.473 11.279 -3.175 1.00 0.00 C ATOM 1025 CE LYS A 68 -0.237 12.623 -2.481 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.399 13.527 -2.610 1.00 0.00 N ATOM 0 H LYS A 68 0.138 7.765 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.886 7.917 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.363 9.025 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.866 9.349 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.867 10.728 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.375 9.809 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.481 10.890 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.101 11.436 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.026 12.453 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.644 13.102 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.284 14.334 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.463 13.873 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.269 13.011 -2.368 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.699 6.448 -2.079 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.823 5.569 -2.405 1.00 0.00 C ATOM 1042 C LEU A 69 -6.121 6.374 -2.471 1.00 0.00 C ATOM 1043 O LEU A 69 -7.198 5.791 -2.558 1.00 0.00 O ATOM 1044 CB LEU A 69 -4.919 4.450 -1.353 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.989 3.253 -1.586 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.394 2.405 -2.782 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.519 3.587 -1.794 1.00 0.00 C ATOM 0 H LEU A 69 -3.766 6.818 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.660 5.116 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.700 4.875 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.947 4.090 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.103 2.713 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.696 1.575 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.400 2.015 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.376 3.016 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.955 2.667 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.412 4.230 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.135 4.104 -0.914 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.037 7.702 -2.399 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.143 8.644 -2.358 1.00 0.00 C ATOM 1061 C ARG A 70 -6.702 9.906 -3.090 1.00 0.00 C ATOM 1062 O ARG A 70 -5.496 10.160 -3.208 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.538 8.950 -0.898 1.00 0.00 C ATOM 1064 CG ARG A 70 -6.353 9.087 0.077 1.00 0.00 C ATOM 1065 CD ARG A 70 -6.815 9.642 1.431 1.00 0.00 C ATOM 1066 NE ARG A 70 -6.425 11.037 1.691 1.00 0.00 N ATOM 1067 CZ ARG A 70 -5.208 11.476 2.027 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -4.172 10.663 2.045 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -5.018 12.750 2.341 1.00 0.00 N ATOM 0 H ARG A 70 -5.133 8.174 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.024 8.225 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.115 9.875 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.195 8.157 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.881 8.115 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.599 9.747 -0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.901 9.566 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.410 9.012 2.223 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.158 11.741 1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.291 9.680 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.251 11.016 2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.803 13.401 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.087 13.079 2.597 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.666 10.730 -3.491 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.459 11.851 -4.394 1.00 0.00 C ATOM 1085 C GLY A 71 -7.156 11.367 -5.817 1.00 0.00 C ATOM 1086 O GLY A 71 -6.700 10.244 -6.041 1.00 0.00 O ATOM 0 H GLY A 71 -8.635 10.632 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.347 12.483 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.634 12.465 -4.033 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.339 12.243 -6.807 1.00 0.00 N ATOM 1091 CA LYS A 72 -6.959 11.971 -8.198 1.00 0.00 C ATOM 1092 C LYS A 72 -5.444 11.789 -8.333 1.00 0.00 C ATOM 1093 O LYS A 72 -4.970 11.331 -9.371 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.462 13.084 -9.136 1.00 0.00 C ATOM 1095 CG LYS A 72 -8.998 13.137 -9.250 1.00 0.00 C ATOM 1096 CD LYS A 72 -9.442 14.220 -10.239 1.00 0.00 C ATOM 1097 CE LYS A 72 -10.969 14.321 -10.308 1.00 0.00 C ATOM 1098 NZ LYS A 72 -11.419 15.288 -11.329 1.00 0.00 N ATOM 0 H LYS A 72 -7.756 13.164 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.436 11.037 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.098 14.046 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.036 12.934 -10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.375 12.167 -9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.432 13.336 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.025 15.182 -9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.045 13.995 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.387 13.339 -10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.356 14.618 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.458 15.323 -11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.043 16.231 -11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.073 14.992 -12.264 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.669 12.128 -7.301 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.232 11.899 -7.195 1.00 0.00 C ATOM 1114 C ASP A 73 -2.915 10.403 -6.998 1.00 0.00 C ATOM 1115 O ASP A 73 -1.765 10.086 -6.714 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.589 12.668 -6.015 1.00 0.00 C ATOM 1117 CG ASP A 73 -2.879 14.157 -5.822 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -3.783 14.727 -6.476 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -2.260 14.759 -4.918 1.00 0.00 O ATOM 0 H ASP A 73 -5.049 12.593 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.814 12.263 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.884 12.159 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.508 12.558 -6.107 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.879 9.472 -7.069 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.650 8.063 -6.762 1.00 0.00 C ATOM 1126 C ILE A 74 -2.405 7.537 -7.495 1.00 0.00 C ATOM 1127 O ILE A 74 -2.206 7.836 -8.682 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.928 7.233 -7.040 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.077 6.144 -5.970 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.046 6.772 -8.504 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.334 5.282 -6.117 1.00 0.00 C ATOM 0 H ILE A 74 -4.839 9.682 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.439 7.956 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.806 7.871 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.201 5.496 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.087 6.616 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.963 6.196 -8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.071 7.643 -9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.188 6.150 -8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.360 4.538 -5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.219 5.915 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.319 4.778 -7.083 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.572 6.772 -6.792 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.322 6.231 -7.316 1.00 0.00 C ATOM 1145 C GLY A 75 0.884 7.165 -7.142 1.00 0.00 C ATOM 1146 O GLY A 75 2.026 6.731 -7.295 1.00 0.00 O ATOM 0 H GLY A 75 -1.752 6.506 -5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.111 5.285 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.449 6.012 -8.376 1.00 0.00 H new ATOM 1150 N LYS A 76 0.681 8.430 -6.771 1.00 0.00 N ATOM 1151 CA LYS A 76 1.743 9.334 -6.367 1.00 0.00 C ATOM 1152 C LYS A 76 2.205 8.942 -4.972 1.00 0.00 C ATOM 1153 O LYS A 76 1.403 8.441 -4.196 1.00 0.00 O ATOM 1154 CB LYS A 76 1.225 10.772 -6.356 1.00 0.00 C ATOM 1155 CG LYS A 76 0.821 11.231 -7.758 1.00 0.00 C ATOM 1156 CD LYS A 76 2.027 11.812 -8.464 1.00 0.00 C ATOM 1157 CE LYS A 76 1.699 11.998 -9.938 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.775 12.714 -10.639 1.00 0.00 N ATOM 0 H LYS A 76 -0.245 8.856 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 76 2.575 9.268 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.368 10.846 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.996 11.435 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.423 10.391 -8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.029 11.977 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.301 12.767 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.885 11.149 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.544 11.025 -10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.766 12.552 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.522 12.825 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.906 13.652 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.659 12.172 -10.563 1.00 0.00 H new ATOM 1172 N PRO A 77 3.467 9.165 -4.610 1.00 0.00 N ATOM 1173 CA PRO A 77 4.007 8.779 -3.315 1.00 0.00 C ATOM 1174 C PRO A 77 3.446 9.646 -2.186 1.00 0.00 C ATOM 1175 O PRO A 77 2.940 10.742 -2.443 1.00 0.00 O ATOM 1176 CB PRO A 77 5.522 8.863 -3.457 1.00 0.00 C ATOM 1177 CG PRO A 77 5.746 9.765 -4.668 1.00 0.00 C ATOM 1178 CD PRO A 77 4.447 9.758 -5.474 1.00 0.00 C ATOM 0 HA PRO A 77 3.714 7.767 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.982 9.281 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.961 7.877 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.000 10.777 -4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.577 9.401 -5.272 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.157 10.769 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.558 9.184 -6.394 1.00 0.00 H new ATOM 1186 N ILE A 78 3.563 9.174 -0.938 1.00 0.00 N ATOM 1187 CA ILE A 78 3.099 9.918 0.227 1.00 0.00 C ATOM 1188 C ILE A 78 4.296 10.577 0.906 1.00 0.00 C ATOM 1189 O ILE A 78 5.066 9.915 1.602 1.00 0.00 O ATOM 1190 CB ILE A 78 2.272 9.039 1.198 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.840 7.644 1.532 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.888 8.820 0.601 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.276 7.054 2.837 1.00 0.00 C ATOM 0 H ILE A 78 3.980 8.271 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 78 2.412 10.698 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 78 2.280 9.599 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.621 6.964 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.925 7.710 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.295 8.202 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.395 9.782 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.982 8.319 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.716 6.073 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.518 7.715 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.194 6.956 2.754 1.00 0.00 H new