USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 180:sc= -1.27 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0923 K(o=-0.092,f=-4.1!) USER MOD Single : A 39 GLN : amide:sc= 0.905 K(o=0.91,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.567 K(o=0.57,f=-5.1!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.02) USER MOD Single : A 48 SER OG : rot -160:sc= -0.0381 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 0.487 (180deg=0.272) USER MOD Single : A 57 SER OG : rot -93:sc= 1.29 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.945 K(o=0.94,f=-0.0016) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0353) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 9.589 -3.017 7.470 1.00 0.00 N ATOM 153 CA TYR A 23 8.451 -2.218 7.061 1.00 0.00 C ATOM 154 C TYR A 23 7.974 -1.239 8.124 1.00 0.00 C ATOM 155 O TYR A 23 8.249 -1.335 9.311 1.00 0.00 O ATOM 156 CB TYR A 23 7.398 -3.221 6.593 1.00 0.00 C ATOM 157 CG TYR A 23 6.412 -2.784 5.528 1.00 0.00 C ATOM 158 CD1 TYR A 23 6.826 -2.582 4.208 1.00 0.00 C ATOM 159 CD2 TYR A 23 5.110 -2.473 5.923 1.00 0.00 C ATOM 160 CE1 TYR A 23 5.924 -2.141 3.229 1.00 0.00 C ATOM 161 CE2 TYR A 23 4.204 -1.950 5.006 1.00 0.00 C ATOM 162 CZ TYR A 23 4.604 -1.889 3.649 1.00 0.00 C ATOM 163 OH TYR A 23 3.661 -1.371 2.803 1.00 0.00 O ATOM 0 HA TYR A 23 8.713 -1.539 6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.921 -4.102 6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.826 -3.535 7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.855 -2.768 3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.804 -2.639 6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.227 -2.001 2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.230 -1.603 5.318 1.00 0.00 H new ATOM 0 HH TYR A 23 2.812 -1.271 3.282 1.00 0.00 H new ATOM 173 N TYR A 24 7.204 -0.282 7.614 1.00 0.00 N ATOM 174 CA TYR A 24 6.619 0.711 8.498 1.00 0.00 C ATOM 175 C TYR A 24 5.234 0.344 9.025 1.00 0.00 C ATOM 176 O TYR A 24 4.642 -0.611 8.532 1.00 0.00 O ATOM 177 CB TYR A 24 6.670 2.082 7.838 1.00 0.00 C ATOM 178 CG TYR A 24 7.937 2.468 7.114 1.00 0.00 C ATOM 179 CD1 TYR A 24 9.219 2.428 7.692 1.00 0.00 C ATOM 180 CD2 TYR A 24 7.806 2.882 5.785 1.00 0.00 C ATOM 181 CE1 TYR A 24 10.338 2.926 7.017 1.00 0.00 C ATOM 182 CE2 TYR A 24 8.908 3.316 5.039 1.00 0.00 C ATOM 183 CZ TYR A 24 10.157 3.341 5.694 1.00 0.00 C ATOM 184 OH TYR A 24 11.274 3.628 4.952 1.00 0.00 O ATOM 0 H TYR A 24 6.978 -0.176 6.625 1.00 0.00 H new ATOM 0 HA TYR A 24 7.229 0.741 9.401 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.846 2.142 7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.482 2.831 8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.342 2.004 8.678 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.830 2.867 5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.303 2.988 7.498 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.806 3.618 4.007 1.00 0.00 H new ATOM 0 HH TYR A 24 11.006 3.903 4.050 1.00 0.00 H new ATOM 194 N LYS A 25 4.849 0.937 10.150 1.00 0.00 N ATOM 195 CA LYS A 25 4.090 0.314 11.212 1.00 0.00 C ATOM 196 C LYS A 25 2.662 0.808 11.391 1.00 0.00 C ATOM 197 O LYS A 25 1.762 0.013 11.616 1.00 0.00 O ATOM 198 CB LYS A 25 4.839 0.635 12.512 1.00 0.00 C ATOM 199 CG LYS A 25 6.324 0.324 12.646 1.00 0.00 C ATOM 200 CD LYS A 25 6.843 0.438 14.083 1.00 0.00 C ATOM 201 CE LYS A 25 7.959 -0.575 14.262 1.00 0.00 C ATOM 202 NZ LYS A 25 8.380 -0.840 15.647 1.00 0.00 N ATOM 0 H LYS A 25 5.072 1.912 10.349 1.00 0.00 H new ATOM 0 HA LYS A 25 4.008 -0.743 10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.716 1.702 12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.326 0.109 13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.511 -0.685 12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.889 1.004 12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.209 1.446 14.277 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.039 0.249 14.794 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.642 -1.517 13.814 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.827 -0.231 13.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.145 -1.545 15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.721 0.042 16.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.572 -1.204 16.192 1.00 0.00 H new ATOM 216 N ILE A 26 2.412 2.123 11.399 1.00 0.00 N ATOM 217 CA ILE A 26 1.111 2.708 11.665 1.00 0.00 C ATOM 218 C ILE A 26 0.159 2.366 10.528 1.00 0.00 C ATOM 219 O ILE A 26 -1.031 2.388 10.866 1.00 0.00 O ATOM 220 CB ILE A 26 1.188 4.202 11.954 1.00 0.00 C ATOM 221 CG1 ILE A 26 1.848 5.059 10.880 1.00 0.00 C ATOM 222 CG2 ILE A 26 1.793 4.370 13.343 1.00 0.00 C ATOM 223 CD1 ILE A 26 2.053 6.508 11.290 1.00 0.00 C ATOM 0 H ILE A 26 3.134 2.820 11.215 1.00 0.00 H new ATOM 0 HA ILE A 26 0.713 2.272 12.581 1.00 0.00 H new ATOM 0 HB ILE A 26 0.175 4.603 11.932 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.814 4.624 10.624 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.236 5.030 9.978 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.863 5.431 13.583 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.160 3.872 14.078 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.789 3.927 13.362 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.527 7.053 10.474 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.088 6.962 11.517 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.691 6.550 12.173 1.00 0.00 H new ATOM 235 N ILE A 27 0.637 2.206 9.288 1.00 0.00 N ATOM 236 CA ILE A 27 -0.089 1.846 8.090 1.00 0.00 C ATOM 237 C ILE A 27 -0.857 0.541 8.312 1.00 0.00 C ATOM 238 O ILE A 27 -2.072 0.557 8.215 1.00 0.00 O ATOM 239 CB ILE A 27 0.744 2.040 6.822 1.00 0.00 C ATOM 240 CG1 ILE A 27 2.109 1.379 6.924 1.00 0.00 C ATOM 241 CG2 ILE A 27 0.970 3.526 6.538 1.00 0.00 C ATOM 242 CD1 ILE A 27 2.808 1.294 5.563 1.00 0.00 C ATOM 0 H ILE A 27 1.629 2.340 9.093 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.893 2.550 7.877 1.00 0.00 H new ATOM 0 HB ILE A 27 0.176 1.575 6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.733 1.942 7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.997 0.377 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.565 3.637 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.008 4.021 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.498 3.980 7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.780 0.815 5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.197 0.709 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.945 2.298 5.161 1.00 0.00 H new ATOM 254 N LYS A 28 -0.210 -0.510 8.826 1.00 0.00 N ATOM 255 CA LYS A 28 -0.606 -1.886 9.055 1.00 0.00 C ATOM 256 C LYS A 28 -2.044 -2.270 9.342 1.00 0.00 C ATOM 257 O LYS A 28 -2.747 -2.726 8.436 1.00 0.00 O ATOM 258 CB LYS A 28 0.434 -2.552 9.953 1.00 0.00 C ATOM 259 CG LYS A 28 1.760 -2.826 9.261 1.00 0.00 C ATOM 260 CD LYS A 28 2.645 -3.850 9.951 1.00 0.00 C ATOM 261 CE LYS A 28 4.062 -3.953 9.398 1.00 0.00 C ATOM 262 NZ LYS A 28 4.962 -4.772 10.221 1.00 0.00 N ATOM 0 H LYS A 28 0.753 -0.382 9.135 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.615 -2.307 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.612 -1.916 10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.029 -3.493 10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.559 -3.167 8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.310 -1.889 9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.702 -3.603 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.170 -4.828 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.020 -4.374 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.480 -2.951 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.906 -4.797 9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.032 -4.361 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.586 -5.739 10.289 1.00 0.00 H new ATOM 276 N THR A 29 -2.502 -2.124 10.584 1.00 0.00 N ATOM 277 CA THR A 29 -3.673 -2.839 11.064 1.00 0.00 C ATOM 278 C THR A 29 -5.051 -2.364 10.617 1.00 0.00 C ATOM 279 O THR A 29 -6.011 -3.127 10.564 1.00 0.00 O ATOM 280 CB THR A 29 -3.683 -3.046 12.581 1.00 0.00 C ATOM 281 OG1 THR A 29 -4.014 -1.871 13.287 1.00 0.00 O ATOM 282 CG2 THR A 29 -2.412 -3.671 13.149 1.00 0.00 C ATOM 0 H THR A 29 -2.073 -1.511 11.277 1.00 0.00 H new ATOM 0 HA THR A 29 -3.525 -3.785 10.544 1.00 0.00 H new ATOM 0 HB THR A 29 -4.475 -3.778 12.736 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.009 -2.055 14.250 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.511 -3.779 14.229 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.256 -4.652 12.699 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.560 -3.030 12.925 1.00 0.00 H new ATOM 290 N ALA A 30 -5.132 -1.085 10.198 1.00 0.00 N ATOM 291 CA ALA A 30 -6.173 -0.295 9.596 1.00 0.00 C ATOM 292 C ALA A 30 -6.688 -0.797 8.254 1.00 0.00 C ATOM 293 O ALA A 30 -7.830 -0.564 7.858 1.00 0.00 O ATOM 294 CB ALA A 30 -5.626 1.108 9.366 1.00 0.00 C ATOM 0 H ALA A 30 -4.303 -0.500 10.306 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.013 -0.343 10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.397 1.729 8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.328 1.543 10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.762 1.057 8.704 1.00 0.00 H new ATOM 300 N ARG A 31 -5.834 -1.596 7.607 1.00 0.00 N ATOM 301 CA ARG A 31 -6.158 -2.261 6.356 1.00 0.00 C ATOM 302 C ARG A 31 -7.544 -2.902 6.308 1.00 0.00 C ATOM 303 O ARG A 31 -8.180 -2.732 5.265 1.00 0.00 O ATOM 304 CB ARG A 31 -5.022 -3.140 5.863 1.00 0.00 C ATOM 305 CG ARG A 31 -4.822 -4.417 6.679 1.00 0.00 C ATOM 306 CD ARG A 31 -3.569 -5.214 6.338 1.00 0.00 C ATOM 307 NE ARG A 31 -3.787 -6.191 5.264 1.00 0.00 N ATOM 308 CZ ARG A 31 -2.993 -6.375 4.195 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.829 -5.719 4.043 1.00 0.00 N ATOM 310 NH2 ARG A 31 -3.291 -7.443 3.438 1.00 0.00 N ATOM 0 H ARG A 31 -4.893 -1.796 7.945 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.252 -1.467 5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.211 -3.411 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.097 -2.563 5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.789 -4.152 7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.691 -5.059 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.777 -4.526 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.222 -5.734 7.231 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.615 -6.783 5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.521 -5.055 4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.254 -5.886 3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.073 -8.046 3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.735 -7.651 2.609 1.00 0.00 H new ATOM 324 N GLU A 32 -7.904 -3.701 7.312 1.00 0.00 N ATOM 325 CA GLU A 32 -9.181 -4.352 7.479 1.00 0.00 C ATOM 326 C GLU A 32 -10.408 -3.458 7.313 1.00 0.00 C ATOM 327 O GLU A 32 -11.439 -3.932 6.844 1.00 0.00 O ATOM 328 CB GLU A 32 -9.184 -5.132 8.781 1.00 0.00 C ATOM 329 CG GLU A 32 -8.073 -6.181 8.716 1.00 0.00 C ATOM 330 CD GLU A 32 -8.284 -7.274 9.772 1.00 0.00 C ATOM 331 OE1 GLU A 32 -8.369 -6.919 10.967 1.00 0.00 O ATOM 332 OE2 GLU A 32 -8.285 -8.464 9.412 1.00 0.00 O ATOM 0 H GLU A 32 -7.262 -3.918 8.074 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.286 -5.042 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.024 -4.462 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.151 -5.612 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.050 -6.630 7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.106 -5.702 8.872 1.00 0.00 H new ATOM 339 N GLN A 33 -10.401 -2.176 7.670 1.00 0.00 N ATOM 340 CA GLN A 33 -11.535 -1.265 7.620 1.00 0.00 C ATOM 341 C GLN A 33 -12.108 -1.121 6.226 1.00 0.00 C ATOM 342 O GLN A 33 -13.243 -0.698 6.037 1.00 0.00 O ATOM 343 CB GLN A 33 -11.036 0.076 8.154 1.00 0.00 C ATOM 344 CG GLN A 33 -10.561 0.038 9.599 1.00 0.00 C ATOM 345 CD GLN A 33 -10.124 1.433 10.009 1.00 0.00 C ATOM 346 OE1 GLN A 33 -9.549 2.219 9.277 1.00 0.00 O ATOM 347 NE2 GLN A 33 -10.242 1.858 11.273 1.00 0.00 N ATOM 0 H GLN A 33 -9.557 -1.723 8.020 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.354 -1.656 8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.217 0.422 7.524 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.838 0.809 8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.362 -0.313 10.250 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.733 -0.663 9.706 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.708 1.273 11.966 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.866 2.767 11.543 1.00 0.00 H new ATOM 356 N LEU A 34 -11.258 -1.365 5.221 1.00 0.00 N ATOM 357 CA LEU A 34 -11.616 -1.285 3.823 1.00 0.00 C ATOM 358 C LEU A 34 -11.999 -2.607 3.157 1.00 0.00 C ATOM 359 O LEU A 34 -12.994 -2.638 2.434 1.00 0.00 O ATOM 360 CB LEU A 34 -10.410 -0.697 3.110 1.00 0.00 C ATOM 361 CG LEU A 34 -10.280 0.834 3.028 1.00 0.00 C ATOM 362 CD1 LEU A 34 -10.001 1.519 4.366 1.00 0.00 C ATOM 363 CD2 LEU A 34 -9.112 1.125 2.107 1.00 0.00 C ATOM 0 H LEU A 34 -10.284 -1.628 5.374 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.518 -0.677 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.515 -1.080 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.405 -1.085 2.091 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.235 1.224 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.925 2.596 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.814 1.307 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.065 1.143 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.980 2.203 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.205 0.681 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.310 0.700 1.123 1.00 0.00 H new ATOM 375 N GLY A 35 -11.386 -3.684 3.672 1.00 0.00 N ATOM 376 CA GLY A 35 -11.620 -5.078 3.356 1.00 0.00 C ATOM 377 C GLY A 35 -11.374 -5.400 1.893 1.00 0.00 C ATOM 378 O GLY A 35 -11.502 -6.559 1.495 1.00 0.00 O ATOM 0 H GLY A 35 -10.656 -3.580 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.972 -5.699 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.648 -5.336 3.612 1.00 0.00 H new ATOM 382 N ILE A 36 -10.913 -4.463 1.066 1.00 0.00 N ATOM 383 CA ILE A 36 -10.793 -4.665 -0.357 1.00 0.00 C ATOM 384 C ILE A 36 -9.759 -5.703 -0.771 1.00 0.00 C ATOM 385 O ILE A 36 -8.741 -5.874 -0.100 1.00 0.00 O ATOM 386 CB ILE A 36 -10.532 -3.300 -0.988 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.387 -2.529 -0.330 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.761 -2.405 -1.200 1.00 0.00 C ATOM 389 CD1 ILE A 36 -8.766 -1.388 -1.136 1.00 0.00 C ATOM 0 H ILE A 36 -10.613 -3.539 1.378 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.726 -5.094 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.214 -3.575 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.752 -2.119 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.597 -3.239 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.452 -1.464 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.469 -2.909 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.236 -2.206 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.967 -0.925 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.358 -1.781 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.530 -0.643 -1.360 1.00 0.00 H new ATOM 401 N SER A 37 -9.843 -6.377 -1.914 1.00 0.00 N ATOM 402 CA SER A 37 -8.877 -7.267 -2.512 1.00 0.00 C ATOM 403 C SER A 37 -7.663 -6.554 -3.068 1.00 0.00 C ATOM 404 O SER A 37 -7.769 -5.338 -3.276 1.00 0.00 O ATOM 405 CB SER A 37 -9.576 -8.202 -3.505 1.00 0.00 C ATOM 406 OG SER A 37 -9.773 -7.521 -4.715 1.00 0.00 O ATOM 0 H SER A 37 -10.677 -6.299 -2.496 1.00 0.00 H new ATOM 0 HA SER A 37 -8.454 -7.892 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.973 -9.095 -3.670 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.532 -8.534 -3.100 1.00 0.00 H new ATOM 0 HG SER A 37 -10.218 -8.114 -5.355 1.00 0.00 H new ATOM 412 N GLN A 38 -6.523 -7.187 -3.333 1.00 0.00 N ATOM 413 CA GLN A 38 -5.334 -6.660 -3.974 1.00 0.00 C ATOM 414 C GLN A 38 -5.733 -6.066 -5.318 1.00 0.00 C ATOM 415 O GLN A 38 -5.099 -5.059 -5.643 1.00 0.00 O ATOM 416 CB GLN A 38 -4.230 -7.719 -4.033 1.00 0.00 C ATOM 417 CG GLN A 38 -3.327 -7.672 -2.809 1.00 0.00 C ATOM 418 CD GLN A 38 -2.101 -8.535 -3.022 1.00 0.00 C ATOM 419 OE1 GLN A 38 -1.715 -8.692 -4.180 1.00 0.00 O ATOM 420 NE2 GLN A 38 -1.447 -9.064 -1.974 1.00 0.00 N ATOM 0 H GLN A 38 -6.403 -8.168 -3.080 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.895 -5.851 -3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.681 -8.708 -4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.631 -7.568 -4.931 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.025 -6.643 -2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.875 -8.018 -1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.795 -8.914 -1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.602 -9.616 -2.125 1.00 0.00 H new ATOM 429 N GLN A 39 -6.532 -6.730 -6.150 1.00 0.00 N ATOM 430 CA GLN A 39 -6.934 -6.244 -7.464 1.00 0.00 C ATOM 431 C GLN A 39 -7.714 -4.953 -7.351 1.00 0.00 C ATOM 432 O GLN A 39 -7.737 -4.182 -8.315 1.00 0.00 O ATOM 433 CB GLN A 39 -7.684 -7.365 -8.177 1.00 0.00 C ATOM 434 CG GLN A 39 -7.815 -7.221 -9.692 1.00 0.00 C ATOM 435 CD GLN A 39 -8.250 -8.547 -10.284 1.00 0.00 C ATOM 436 OE1 GLN A 39 -9.444 -8.865 -10.348 1.00 0.00 O ATOM 437 NE2 GLN A 39 -7.286 -9.446 -10.395 1.00 0.00 N ATOM 0 H GLN A 39 -6.926 -7.643 -5.922 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.064 -5.989 -8.069 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.179 -8.307 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.684 -7.435 -7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.542 -6.445 -9.934 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.863 -6.912 -10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.310 -9.156 -10.339 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.519 -10.429 -10.537 1.00 0.00 H new ATOM 446 N GLN A 40 -8.521 -4.780 -6.299 1.00 0.00 N ATOM 447 CA GLN A 40 -9.325 -3.572 -6.279 1.00 0.00 C ATOM 448 C GLN A 40 -8.503 -2.379 -5.800 1.00 0.00 C ATOM 449 O GLN A 40 -8.850 -1.218 -6.002 1.00 0.00 O ATOM 450 CB GLN A 40 -10.459 -3.717 -5.263 1.00 0.00 C ATOM 451 CG GLN A 40 -11.576 -4.709 -5.587 1.00 0.00 C ATOM 452 CD GLN A 40 -12.477 -4.846 -4.371 1.00 0.00 C ATOM 453 OE1 GLN A 40 -12.139 -5.245 -3.255 1.00 0.00 O ATOM 454 NE2 GLN A 40 -13.722 -4.424 -4.595 1.00 0.00 N ATOM 0 H GLN A 40 -8.628 -5.414 -5.507 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.694 -3.419 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.020 -4.006 -4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.912 -2.735 -5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.151 -4.363 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.154 -5.678 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.990 -4.096 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.406 -4.429 -3.838 1.00 0.00 H new ATOM 463 N LEU A 41 -7.409 -2.723 -5.126 1.00 0.00 N ATOM 464 CA LEU A 41 -6.402 -1.779 -4.665 1.00 0.00 C ATOM 465 C LEU A 41 -5.533 -1.309 -5.819 1.00 0.00 C ATOM 466 O LEU A 41 -5.051 -0.180 -5.948 1.00 0.00 O ATOM 467 CB LEU A 41 -5.569 -2.378 -3.550 1.00 0.00 C ATOM 468 CG LEU A 41 -4.413 -1.548 -2.988 1.00 0.00 C ATOM 469 CD1 LEU A 41 -4.870 -0.229 -2.356 1.00 0.00 C ATOM 470 CD2 LEU A 41 -3.555 -2.227 -1.935 1.00 0.00 C ATOM 0 H LEU A 41 -7.195 -3.690 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.913 -0.906 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.240 -2.617 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.158 -3.321 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.818 -1.391 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.003 0.312 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.377 0.378 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.556 -0.437 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.769 -1.545 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.175 -2.499 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.104 -3.125 -2.357 1.00 0.00 H new ATOM 482 N ALA A 42 -5.095 -2.285 -6.618 1.00 0.00 N ATOM 483 CA ALA A 42 -4.369 -2.057 -7.865 1.00 0.00 C ATOM 484 C ALA A 42 -5.147 -1.124 -8.786 1.00 0.00 C ATOM 485 O ALA A 42 -4.499 -0.338 -9.480 1.00 0.00 O ATOM 486 CB ALA A 42 -4.158 -3.453 -8.421 1.00 0.00 C ATOM 0 H ALA A 42 -5.239 -3.273 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.414 -1.547 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.617 -3.391 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.581 -4.044 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.125 -3.928 -8.588 1.00 0.00 H new ATOM 492 N GLN A 43 -6.475 -1.277 -8.841 1.00 0.00 N ATOM 493 CA GLN A 43 -7.436 -0.291 -9.311 1.00 0.00 C ATOM 494 C GLN A 43 -7.524 0.992 -8.498 1.00 0.00 C ATOM 495 O GLN A 43 -7.762 2.027 -9.104 1.00 0.00 O ATOM 496 CB GLN A 43 -8.832 -0.908 -9.426 1.00 0.00 C ATOM 497 CG GLN A 43 -8.881 -1.866 -10.615 1.00 0.00 C ATOM 498 CD GLN A 43 -10.306 -2.378 -10.874 1.00 0.00 C ATOM 499 OE1 GLN A 43 -11.030 -1.957 -11.756 1.00 0.00 O ATOM 500 NE2 GLN A 43 -10.867 -3.334 -10.128 1.00 0.00 N ATOM 0 H GLN A 43 -6.925 -2.142 -8.541 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.050 0.005 -10.286 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.080 -1.441 -8.508 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.577 -0.122 -9.550 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.509 -1.360 -11.506 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.219 -2.711 -10.429 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.344 -3.755 -9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.819 -3.643 -10.326 1.00 0.00 H new ATOM 509 N LYS A 44 -7.357 1.006 -7.174 1.00 0.00 N ATOM 510 CA LYS A 44 -7.620 2.146 -6.320 1.00 0.00 C ATOM 511 C LYS A 44 -6.503 3.153 -6.537 1.00 0.00 C ATOM 512 O LYS A 44 -6.672 4.340 -6.253 1.00 0.00 O ATOM 513 CB LYS A 44 -7.708 1.764 -4.841 1.00 0.00 C ATOM 514 CG LYS A 44 -8.030 2.910 -3.895 1.00 0.00 C ATOM 515 CD LYS A 44 -8.275 2.310 -2.516 1.00 0.00 C ATOM 516 CE LYS A 44 -8.579 3.323 -1.417 1.00 0.00 C ATOM 517 NZ LYS A 44 -10.019 3.656 -1.391 1.00 0.00 N ATOM 0 H LYS A 44 -7.023 0.192 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.590 2.568 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.471 0.994 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.759 1.321 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.206 3.623 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.910 3.455 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.107 1.609 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.396 1.734 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.278 2.919 -0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.995 4.229 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.202 4.347 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.298 4.062 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.572 2.793 -1.212 1.00 0.00 H new ATOM 531 N LEU A 45 -5.385 2.734 -7.140 1.00 0.00 N ATOM 532 CA LEU A 45 -4.160 3.465 -7.336 1.00 0.00 C ATOM 533 C LEU A 45 -3.764 3.556 -8.803 1.00 0.00 C ATOM 534 O LEU A 45 -2.750 4.120 -9.191 1.00 0.00 O ATOM 535 CB LEU A 45 -3.061 2.903 -6.441 1.00 0.00 C ATOM 536 CG LEU A 45 -3.369 2.696 -4.959 1.00 0.00 C ATOM 537 CD1 LEU A 45 -2.342 1.830 -4.261 1.00 0.00 C ATOM 538 CD2 LEU A 45 -3.556 4.088 -4.350 1.00 0.00 C ATOM 0 H LEU A 45 -5.325 1.794 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.325 4.499 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.755 1.942 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.201 3.569 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.287 2.123 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.613 1.718 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.311 0.849 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.361 2.299 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.779 3.993 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.642 4.667 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.381 4.596 -4.850 1.00 0.00 H new ATOM 550 N LYS A 46 -4.553 2.878 -9.645 1.00 0.00 N ATOM 551 CA LYS A 46 -4.241 2.595 -11.033 1.00 0.00 C ATOM 552 C LYS A 46 -2.829 2.139 -11.387 1.00 0.00 C ATOM 553 O LYS A 46 -2.178 2.627 -12.307 1.00 0.00 O ATOM 554 CB LYS A 46 -4.796 3.826 -11.731 1.00 0.00 C ATOM 555 CG LYS A 46 -6.326 3.908 -11.705 1.00 0.00 C ATOM 556 CD LYS A 46 -6.938 4.697 -10.552 1.00 0.00 C ATOM 557 CE LYS A 46 -8.456 4.865 -10.640 1.00 0.00 C ATOM 558 NZ LYS A 46 -9.205 3.600 -10.643 1.00 0.00 N ATOM 0 H LYS A 46 -5.457 2.502 -9.359 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.695 1.667 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.385 4.718 -11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.458 3.829 -12.767 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.661 4.354 -12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.723 2.893 -11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.693 4.197 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.476 5.684 -10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.792 5.471 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.697 5.418 -11.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.218 3.796 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.057 3.111 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.870 2.996 -9.865 1.00 0.00 H new ATOM 572 N VAL A 47 -2.364 1.057 -10.777 1.00 0.00 N ATOM 573 CA VAL A 47 -1.072 0.411 -10.798 1.00 0.00 C ATOM 574 C VAL A 47 -1.271 -1.060 -11.128 1.00 0.00 C ATOM 575 O VAL A 47 -2.397 -1.524 -11.217 1.00 0.00 O ATOM 576 CB VAL A 47 -0.416 0.494 -9.418 1.00 0.00 C ATOM 577 CG1 VAL A 47 -0.272 1.968 -9.067 1.00 0.00 C ATOM 578 CG2 VAL A 47 -1.162 -0.204 -8.274 1.00 0.00 C ATOM 0 H VAL A 47 -2.991 0.538 -10.162 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.441 0.904 -11.538 1.00 0.00 H new ATOM 0 HB VAL A 47 0.532 -0.037 -9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.194 2.065 -8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.350 2.461 -9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.256 2.436 -9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.604 -0.079 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.153 0.236 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.260 -1.266 -8.498 1.00 0.00 H new ATOM 588 N SER A 48 -0.180 -1.834 -11.284 1.00 0.00 N ATOM 589 CA SER A 48 -0.222 -3.280 -11.337 1.00 0.00 C ATOM 590 C SER A 48 -0.354 -3.998 -9.995 1.00 0.00 C ATOM 591 O SER A 48 -0.052 -3.338 -8.990 1.00 0.00 O ATOM 592 CB SER A 48 1.101 -3.626 -11.990 1.00 0.00 C ATOM 593 OG SER A 48 2.229 -3.417 -11.175 1.00 0.00 O ATOM 0 H SER A 48 0.761 -1.452 -11.377 1.00 0.00 H new ATOM 0 HA SER A 48 -1.116 -3.609 -11.867 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.078 -4.672 -12.295 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.210 -3.032 -12.897 1.00 0.00 H new ATOM 0 HG SER A 48 3.030 -3.351 -11.736 1.00 0.00 H new ATOM 599 N GLU A 49 -0.819 -5.242 -10.053 1.00 0.00 N ATOM 600 CA GLU A 49 -0.715 -5.996 -8.818 1.00 0.00 C ATOM 601 C GLU A 49 0.712 -6.421 -8.558 1.00 0.00 C ATOM 602 O GLU A 49 0.999 -6.885 -7.464 1.00 0.00 O ATOM 603 CB GLU A 49 -1.612 -7.229 -8.926 1.00 0.00 C ATOM 604 CG GLU A 49 -3.110 -6.941 -8.897 1.00 0.00 C ATOM 605 CD GLU A 49 -3.931 -8.172 -9.235 1.00 0.00 C ATOM 606 OE1 GLU A 49 -3.729 -9.235 -8.606 1.00 0.00 O ATOM 607 OE2 GLU A 49 -4.826 -8.032 -10.101 1.00 0.00 O ATOM 0 H GLU A 49 -1.233 -5.711 -10.859 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.032 -5.366 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.376 -7.752 -9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.372 -7.907 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.391 -6.578 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.340 -6.146 -9.606 1.00 0.00 H new ATOM 614 N ASN A 50 1.709 -6.374 -9.454 1.00 0.00 N ATOM 615 CA ASN A 50 3.105 -6.408 -9.073 1.00 0.00 C ATOM 616 C ASN A 50 3.417 -5.332 -8.043 1.00 0.00 C ATOM 617 O ASN A 50 4.010 -5.559 -6.983 1.00 0.00 O ATOM 618 CB ASN A 50 3.932 -6.243 -10.346 1.00 0.00 C ATOM 619 CG ASN A 50 5.422 -6.323 -10.004 1.00 0.00 C ATOM 620 OD1 ASN A 50 6.103 -5.317 -9.820 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.894 -7.545 -9.783 1.00 0.00 N ATOM 0 H ASN A 50 1.557 -6.311 -10.461 1.00 0.00 H new ATOM 0 HA ASN A 50 3.352 -7.357 -8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.671 -7.020 -11.064 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.707 -5.286 -10.816 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.850 -7.670 -9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.300 -8.358 -9.946 1.00 0.00 H new ATOM 628 N ILE A 51 3.058 -4.069 -8.241 1.00 0.00 N ATOM 629 CA ILE A 51 3.311 -2.963 -7.339 1.00 0.00 C ATOM 630 C ILE A 51 2.682 -3.203 -5.969 1.00 0.00 C ATOM 631 O ILE A 51 3.293 -2.971 -4.917 1.00 0.00 O ATOM 632 CB ILE A 51 2.850 -1.678 -8.015 1.00 0.00 C ATOM 633 CG1 ILE A 51 3.819 -1.306 -9.146 1.00 0.00 C ATOM 634 CG2 ILE A 51 2.862 -0.550 -6.990 1.00 0.00 C ATOM 635 CD1 ILE A 51 5.207 -0.750 -8.845 1.00 0.00 C ATOM 0 H ILE A 51 2.557 -3.779 -9.080 1.00 0.00 H new ATOM 0 HA ILE A 51 4.378 -2.871 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 51 1.848 -1.826 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.959 -2.201 -9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.311 -0.573 -9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.534 0.375 -7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.188 -0.797 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.873 -0.421 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.731 -0.553 -9.780 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.113 0.177 -8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.771 -1.476 -8.260 1.00 0.00 H new ATOM 647 N VAL A 52 1.442 -3.657 -5.946 1.00 0.00 N ATOM 648 CA VAL A 52 0.715 -3.803 -4.695 1.00 0.00 C ATOM 649 C VAL A 52 1.426 -4.888 -3.916 1.00 0.00 C ATOM 650 O VAL A 52 1.832 -4.553 -2.802 1.00 0.00 O ATOM 651 CB VAL A 52 -0.778 -4.051 -4.812 1.00 0.00 C ATOM 652 CG1 VAL A 52 -1.486 -3.070 -5.748 1.00 0.00 C ATOM 653 CG2 VAL A 52 -1.168 -5.498 -5.095 1.00 0.00 C ATOM 0 H VAL A 52 0.917 -3.931 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 52 0.732 -2.845 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.148 -3.850 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.550 -3.305 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.352 -2.053 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.062 -3.151 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.253 -5.576 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.723 -5.817 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.807 -6.136 -4.289 1.00 0.00 H new ATOM 663 N LYS A 53 1.719 -6.046 -4.503 1.00 0.00 N ATOM 664 CA LYS A 53 2.499 -7.140 -3.948 1.00 0.00 C ATOM 665 C LYS A 53 3.837 -6.708 -3.375 1.00 0.00 C ATOM 666 O LYS A 53 4.183 -7.182 -2.306 1.00 0.00 O ATOM 667 CB LYS A 53 2.686 -8.196 -5.047 1.00 0.00 C ATOM 668 CG LYS A 53 1.720 -9.349 -4.806 1.00 0.00 C ATOM 669 CD LYS A 53 1.990 -10.533 -5.733 1.00 0.00 C ATOM 670 CE LYS A 53 1.850 -10.457 -7.241 1.00 0.00 C ATOM 671 NZ LYS A 53 0.560 -9.893 -7.680 1.00 0.00 N ATOM 0 H LYS A 53 1.392 -6.255 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 53 1.950 -7.551 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.506 -7.754 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.713 -8.561 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.799 -9.676 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.698 -9.001 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.013 -10.853 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.334 -11.339 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.660 -9.849 -7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.963 -11.457 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.378 -10.170 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.202 -10.255 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.593 -8.856 -7.612 1.00 0.00 H new ATOM 685 N ARG A 54 4.550 -5.780 -4.038 1.00 0.00 N ATOM 686 CA ARG A 54 5.764 -5.174 -3.523 1.00 0.00 C ATOM 687 C ARG A 54 5.620 -4.396 -2.220 1.00 0.00 C ATOM 688 O ARG A 54 6.491 -4.457 -1.350 1.00 0.00 O ATOM 689 CB ARG A 54 6.511 -4.341 -4.551 1.00 0.00 C ATOM 690 CG ARG A 54 7.320 -5.339 -5.371 1.00 0.00 C ATOM 691 CD ARG A 54 8.103 -4.592 -6.443 1.00 0.00 C ATOM 692 NE ARG A 54 8.858 -5.546 -7.241 1.00 0.00 N ATOM 693 CZ ARG A 54 10.129 -5.961 -7.145 1.00 0.00 C ATOM 694 NH1 ARG A 54 10.993 -5.551 -6.203 1.00 0.00 N ATOM 695 NH2 ARG A 54 10.584 -6.959 -7.912 1.00 0.00 N ATOM 0 H ARG A 54 4.284 -5.433 -4.960 1.00 0.00 H new ATOM 0 HA ARG A 54 6.365 -6.051 -3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.819 -3.783 -5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.161 -3.611 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.002 -5.890 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.657 -6.071 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.422 -4.027 -7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.779 -3.872 -5.981 1.00 0.00 H new ATOM 0 HE ARG A 54 8.330 -5.971 -8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.696 -4.878 -5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.947 -5.912 -6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.961 -7.414 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.553 -7.265 -7.829 1.00 0.00 H new ATOM 709 N PHE A 55 4.445 -3.817 -1.973 1.00 0.00 N ATOM 710 CA PHE A 55 4.152 -3.221 -0.692 1.00 0.00 C ATOM 711 C PHE A 55 3.959 -4.377 0.290 1.00 0.00 C ATOM 712 O PHE A 55 4.558 -4.358 1.369 1.00 0.00 O ATOM 713 CB PHE A 55 2.856 -2.417 -0.740 1.00 0.00 C ATOM 714 CG PHE A 55 2.863 -1.311 -1.765 1.00 0.00 C ATOM 715 CD1 PHE A 55 4.033 -0.646 -2.111 1.00 0.00 C ATOM 716 CD2 PHE A 55 1.619 -0.818 -2.217 1.00 0.00 C ATOM 717 CE1 PHE A 55 4.014 0.363 -3.086 1.00 0.00 C ATOM 718 CE2 PHE A 55 1.614 0.144 -3.233 1.00 0.00 C ATOM 719 CZ PHE A 55 2.804 0.718 -3.694 1.00 0.00 C ATOM 0 H PHE A 55 3.686 -3.754 -2.652 1.00 0.00 H new ATOM 0 HA PHE A 55 4.960 -2.549 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.028 -3.093 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.670 -1.987 0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.962 -0.907 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.694 -1.175 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.929 0.864 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.674 0.449 -3.669 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.789 1.426 -4.509 1.00 0.00 H new ATOM 729 N GLU A 56 3.119 -5.349 -0.054 1.00 0.00 N ATOM 730 CA GLU A 56 2.701 -6.449 0.788 1.00 0.00 C ATOM 731 C GLU A 56 3.842 -7.247 1.385 1.00 0.00 C ATOM 732 O GLU A 56 3.901 -7.488 2.592 1.00 0.00 O ATOM 733 CB GLU A 56 1.691 -7.312 0.036 1.00 0.00 C ATOM 734 CG GLU A 56 1.041 -8.331 0.965 1.00 0.00 C ATOM 735 CD GLU A 56 0.162 -7.669 2.013 1.00 0.00 C ATOM 736 OE1 GLU A 56 -1.029 -7.337 1.834 1.00 0.00 O ATOM 737 OE2 GLU A 56 0.553 -7.518 3.195 1.00 0.00 O ATOM 0 H GLU A 56 2.692 -5.386 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 56 2.212 -6.022 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.923 -6.677 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.189 -7.829 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.442 -9.027 0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.816 -8.916 1.460 1.00 0.00 H new ATOM 744 N SER A 57 4.731 -7.661 0.484 1.00 0.00 N ATOM 745 CA SER A 57 5.892 -8.438 0.844 1.00 0.00 C ATOM 746 C SER A 57 7.078 -7.770 1.530 1.00 0.00 C ATOM 747 O SER A 57 8.038 -8.427 1.892 1.00 0.00 O ATOM 748 CB SER A 57 6.431 -9.023 -0.458 1.00 0.00 C ATOM 749 OG SER A 57 6.507 -8.014 -1.432 1.00 0.00 O ATOM 0 H SER A 57 4.657 -7.462 -0.514 1.00 0.00 H new ATOM 0 HA SER A 57 5.514 -9.126 1.600 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.417 -9.458 -0.293 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.782 -9.828 -0.803 1.00 0.00 H new ATOM 0 HG SER A 57 5.684 -8.010 -1.964 1.00 0.00 H new ATOM 755 N GLY A 58 7.104 -6.435 1.623 1.00 0.00 N ATOM 756 CA GLY A 58 8.311 -5.760 2.051 1.00 0.00 C ATOM 757 C GLY A 58 9.363 -5.747 0.954 1.00 0.00 C ATOM 758 O GLY A 58 10.467 -5.418 1.422 1.00 0.00 O ATOM 0 H GLY A 58 6.317 -5.822 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.073 -4.736 2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.712 -6.256 2.935 1.00 0.00 H new ATOM 762 N LYS A 59 9.167 -5.983 -0.348 1.00 0.00 N ATOM 763 CA LYS A 59 10.164 -6.121 -1.389 1.00 0.00 C ATOM 764 C LYS A 59 10.486 -4.777 -2.027 1.00 0.00 C ATOM 765 O LYS A 59 10.404 -4.610 -3.253 1.00 0.00 O ATOM 766 CB LYS A 59 9.816 -7.166 -2.443 1.00 0.00 C ATOM 767 CG LYS A 59 9.977 -8.624 -2.069 1.00 0.00 C ATOM 768 CD LYS A 59 9.987 -9.589 -3.245 1.00 0.00 C ATOM 769 CE LYS A 59 10.167 -10.994 -2.679 1.00 0.00 C ATOM 770 NZ LYS A 59 9.993 -12.052 -3.690 1.00 0.00 N ATOM 0 H LYS A 59 8.224 -6.090 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 59 11.060 -6.493 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.779 -7.009 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.433 -6.975 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.908 -8.741 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.167 -8.903 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.056 -9.518 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.796 -9.346 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.162 -11.078 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.450 -11.149 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.127 -12.983 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.035 -11.995 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.694 -11.926 -4.448 1.00 0.00 H new ATOM 784 N LEU A 60 10.809 -3.776 -1.207 1.00 0.00 N ATOM 785 CA LEU A 60 10.836 -2.369 -1.551 1.00 0.00 C ATOM 786 C LEU A 60 12.075 -1.601 -1.140 1.00 0.00 C ATOM 787 O LEU A 60 12.674 -1.994 -0.145 1.00 0.00 O ATOM 788 CB LEU A 60 9.568 -1.731 -0.952 1.00 0.00 C ATOM 789 CG LEU A 60 9.032 -0.464 -1.619 1.00 0.00 C ATOM 790 CD1 LEU A 60 8.558 -0.745 -3.033 1.00 0.00 C ATOM 791 CD2 LEU A 60 7.882 0.073 -0.767 1.00 0.00 C ATOM 0 H LEU A 60 11.071 -3.943 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 60 10.865 -2.308 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.776 -2.480 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.770 -1.501 0.094 1.00 0.00 H new ATOM 0 HG LEU A 60 9.829 0.276 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.183 0.175 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.390 -1.124 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.761 -1.488 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.483 0.979 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.095 -0.678 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.247 0.302 0.234 1.00 0.00 H new ATOM 803 N LYS A 61 12.477 -0.603 -1.913 1.00 0.00 N ATOM 804 CA LYS A 61 13.497 0.363 -1.511 1.00 0.00 C ATOM 805 C LYS A 61 12.910 1.759 -1.321 1.00 0.00 C ATOM 806 O LYS A 61 13.283 2.567 -2.158 1.00 0.00 O ATOM 807 CB LYS A 61 14.592 0.132 -2.537 1.00 0.00 C ATOM 808 CG LYS A 61 15.951 0.701 -2.142 1.00 0.00 C ATOM 809 CD LYS A 61 16.771 0.856 -3.409 1.00 0.00 C ATOM 810 CE LYS A 61 18.130 1.476 -3.089 1.00 0.00 C ATOM 811 NZ LYS A 61 19.071 1.570 -4.219 1.00 0.00 N ATOM 0 H LYS A 61 12.102 -0.437 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 61 13.931 0.241 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.695 -0.940 -2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.286 0.576 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.833 1.663 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.454 0.037 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.910 -0.116 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.236 1.484 -4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 61 17.967 2.478 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.598 0.891 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.959 2.004 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 19.265 0.618 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.654 2.155 -4.971 1.00 0.00 H new ATOM 825 N PRO A 62 12.120 2.069 -0.284 1.00 0.00 N ATOM 826 CA PRO A 62 11.318 3.284 -0.189 1.00 0.00 C ATOM 827 C PRO A 62 12.307 4.314 0.336 1.00 0.00 C ATOM 828 O PRO A 62 13.537 4.238 0.266 1.00 0.00 O ATOM 829 CB PRO A 62 10.271 2.938 0.861 1.00 0.00 C ATOM 830 CG PRO A 62 11.067 1.996 1.774 1.00 0.00 C ATOM 831 CD PRO A 62 11.822 1.127 0.768 1.00 0.00 C ATOM 0 HA PRO A 62 10.837 3.643 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.913 3.820 1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.398 2.451 0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.746 2.542 2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.414 1.403 2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.727 0.698 1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.214 0.296 0.410 1.00 0.00 H new ATOM 839 N THR A 63 11.785 5.439 0.824 1.00 0.00 N ATOM 840 CA THR A 63 12.411 6.683 1.204 1.00 0.00 C ATOM 841 C THR A 63 11.552 7.367 2.263 1.00 0.00 C ATOM 842 O THR A 63 10.418 6.954 2.486 1.00 0.00 O ATOM 843 CB THR A 63 12.612 7.561 -0.027 1.00 0.00 C ATOM 844 OG1 THR A 63 11.479 8.285 -0.424 1.00 0.00 O ATOM 845 CG2 THR A 63 13.275 6.829 -1.186 1.00 0.00 C ATOM 0 H THR A 63 10.778 5.494 0.978 1.00 0.00 H new ATOM 0 HA THR A 63 13.396 6.498 1.632 1.00 0.00 H new ATOM 0 HB THR A 63 13.321 8.319 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.694 8.821 -1.216 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.388 7.510 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 63 14.256 6.469 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.656 5.983 -1.484 1.00 0.00 H new ATOM 853 N ILE A 64 12.066 8.478 2.798 1.00 0.00 N ATOM 854 CA ILE A 64 11.406 9.168 3.897 1.00 0.00 C ATOM 855 C ILE A 64 10.191 9.946 3.414 1.00 0.00 C ATOM 856 O ILE A 64 9.211 9.821 4.131 1.00 0.00 O ATOM 857 CB ILE A 64 12.376 9.986 4.731 1.00 0.00 C ATOM 858 CG1 ILE A 64 13.112 11.085 3.946 1.00 0.00 C ATOM 859 CG2 ILE A 64 13.264 8.992 5.486 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.727 12.097 4.902 1.00 0.00 C ATOM 0 H ILE A 64 12.934 8.913 2.486 1.00 0.00 H new ATOM 0 HA ILE A 64 11.021 8.413 4.583 1.00 0.00 H new ATOM 0 HB ILE A 64 11.838 10.593 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 64 13.891 10.639 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.418 11.587 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.980 9.538 6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.644 8.362 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.801 8.368 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 64 14.244 12.868 4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.941 12.555 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 64 14.437 11.593 5.558 1.00 0.00 H new ATOM 872 N SER A 65 10.186 10.764 2.358 1.00 0.00 N ATOM 873 CA SER A 65 8.924 11.221 1.817 1.00 0.00 C ATOM 874 C SER A 65 8.029 10.081 1.367 1.00 0.00 C ATOM 875 O SER A 65 6.811 10.256 1.389 1.00 0.00 O ATOM 876 CB SER A 65 9.210 12.247 0.711 1.00 0.00 C ATOM 877 OG SER A 65 9.999 11.637 -0.283 1.00 0.00 O ATOM 0 H SER A 65 11.018 11.109 1.880 1.00 0.00 H new ATOM 0 HA SER A 65 8.350 11.709 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.276 12.609 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.727 13.113 1.124 1.00 0.00 H new ATOM 0 HG SER A 65 10.186 12.284 -0.995 1.00 0.00 H new ATOM 883 N GLN A 66 8.530 8.948 0.888 1.00 0.00 N ATOM 884 CA GLN A 66 7.747 7.809 0.413 1.00 0.00 C ATOM 885 C GLN A 66 7.013 7.114 1.546 1.00 0.00 C ATOM 886 O GLN A 66 5.914 6.626 1.252 1.00 0.00 O ATOM 887 CB GLN A 66 8.626 6.913 -0.459 1.00 0.00 C ATOM 888 CG GLN A 66 8.442 7.159 -1.953 1.00 0.00 C ATOM 889 CD GLN A 66 9.393 6.347 -2.830 1.00 0.00 C ATOM 890 OE1 GLN A 66 10.335 6.840 -3.440 1.00 0.00 O ATOM 891 NE2 GLN A 66 9.197 5.046 -2.989 1.00 0.00 N ATOM 0 H GLN A 66 9.535 8.790 0.816 1.00 0.00 H new ATOM 0 HA GLN A 66 6.938 8.150 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.671 7.075 -0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.401 5.869 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.415 6.920 -2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.588 8.219 -2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.428 4.583 -2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.816 4.507 -3.595 1.00 0.00 H new ATOM 900 N ALA A 67 7.624 6.881 2.695 1.00 0.00 N ATOM 901 CA ALA A 67 6.839 6.502 3.870 1.00 0.00 C ATOM 902 C ALA A 67 5.715 7.495 4.127 1.00 0.00 C ATOM 903 O ALA A 67 4.609 6.983 4.276 1.00 0.00 O ATOM 904 CB ALA A 67 7.830 6.542 5.033 1.00 0.00 C ATOM 0 H ALA A 67 8.631 6.943 2.844 1.00 0.00 H new ATOM 0 HA ALA A 67 6.374 5.525 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.319 6.269 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.640 5.838 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.239 7.548 5.128 1.00 0.00 H new ATOM 910 N ARG A 68 5.835 8.827 4.078 1.00 0.00 N ATOM 911 CA ARG A 68 4.737 9.774 4.139 1.00 0.00 C ATOM 912 C ARG A 68 3.720 9.490 3.033 1.00 0.00 C ATOM 913 O ARG A 68 2.573 9.855 3.290 1.00 0.00 O ATOM 914 CB ARG A 68 5.249 11.201 4.044 1.00 0.00 C ATOM 915 CG ARG A 68 6.340 11.581 5.048 1.00 0.00 C ATOM 916 CD ARG A 68 5.931 11.374 6.505 1.00 0.00 C ATOM 917 NE ARG A 68 5.947 9.985 6.972 1.00 0.00 N ATOM 918 CZ ARG A 68 7.007 9.274 7.397 1.00 0.00 C ATOM 919 NH1 ARG A 68 8.283 9.564 7.176 1.00 0.00 N ATOM 920 NH2 ARG A 68 6.594 8.112 7.919 1.00 0.00 N ATOM 0 H ARG A 68 6.742 9.285 3.991 1.00 0.00 H new ATOM 0 HA ARG A 68 4.239 9.656 5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.634 11.363 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.406 11.880 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.232 10.990 4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.609 12.627 4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.597 11.960 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.927 11.774 6.643 1.00 0.00 H new ATOM 0 HE ARG A 68 5.049 9.501 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.532 10.394 6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.015 8.957 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.599 7.890 7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.275 7.449 8.290 1.00 0.00 H new ATOM 934 N GLN A 69 4.172 8.997 1.877 1.00 0.00 N ATOM 935 CA GLN A 69 3.307 8.749 0.740 1.00 0.00 C ATOM 936 C GLN A 69 2.598 7.422 0.870 1.00 0.00 C ATOM 937 O GLN A 69 1.510 7.326 0.306 1.00 0.00 O ATOM 938 CB GLN A 69 3.999 8.930 -0.602 1.00 0.00 C ATOM 939 CG GLN A 69 4.042 10.381 -1.074 1.00 0.00 C ATOM 940 CD GLN A 69 5.221 10.816 -1.945 1.00 0.00 C ATOM 941 OE1 GLN A 69 5.122 10.868 -3.168 1.00 0.00 O ATOM 942 NE2 GLN A 69 6.353 10.988 -1.258 1.00 0.00 N ATOM 0 H GLN A 69 5.150 8.761 1.711 1.00 0.00 H new ATOM 0 HA GLN A 69 2.541 9.524 0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.018 8.549 -0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.485 8.328 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.125 10.579 -1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.025 11.020 -0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.346 10.928 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.225 11.179 -1.751 1.00 0.00 H new ATOM 951 N LEU A 70 3.087 6.386 1.564 1.00 0.00 N ATOM 952 CA LEU A 70 2.482 5.146 1.992 1.00 0.00 C ATOM 953 C LEU A 70 1.308 5.499 2.901 1.00 0.00 C ATOM 954 O LEU A 70 0.213 5.026 2.651 1.00 0.00 O ATOM 955 CB LEU A 70 3.503 4.179 2.561 1.00 0.00 C ATOM 956 CG LEU A 70 4.169 3.203 1.595 1.00 0.00 C ATOM 957 CD1 LEU A 70 5.333 2.502 2.305 1.00 0.00 C ATOM 958 CD2 LEU A 70 3.196 2.240 0.885 1.00 0.00 C ATOM 0 H LEU A 70 4.058 6.419 1.876 1.00 0.00 H new ATOM 0 HA LEU A 70 2.080 4.582 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.288 4.764 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.015 3.597 3.343 1.00 0.00 H new ATOM 0 HG LEU A 70 4.572 3.781 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.811 1.804 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.060 3.245 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.956 1.958 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.755 1.583 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.671 1.640 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.473 2.815 0.306 1.00 0.00 H new ATOM 970 N GLU A 71 1.530 6.296 3.950 1.00 0.00 N ATOM 971 CA GLU A 71 0.552 6.840 4.857 1.00 0.00 C ATOM 972 C GLU A 71 -0.566 7.501 4.047 1.00 0.00 C ATOM 973 O GLU A 71 -1.749 7.258 4.260 1.00 0.00 O ATOM 974 CB GLU A 71 1.378 7.690 5.821 1.00 0.00 C ATOM 975 CG GLU A 71 2.214 6.756 6.700 1.00 0.00 C ATOM 976 CD GLU A 71 3.260 7.491 7.511 1.00 0.00 C ATOM 977 OE1 GLU A 71 3.290 8.739 7.505 1.00 0.00 O ATOM 978 OE2 GLU A 71 3.934 6.900 8.379 1.00 0.00 O ATOM 0 H GLU A 71 2.475 6.592 4.194 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.013 6.135 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.026 8.369 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.724 8.306 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.553 6.213 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.705 6.015 6.070 1.00 0.00 H new ATOM 985 N LYS A 72 -0.191 8.427 3.164 1.00 0.00 N ATOM 986 CA LYS A 72 -1.148 9.277 2.461 1.00 0.00 C ATOM 987 C LYS A 72 -2.072 8.612 1.454 1.00 0.00 C ATOM 988 O LYS A 72 -3.197 9.071 1.285 1.00 0.00 O ATOM 989 CB LYS A 72 -0.344 10.436 1.890 1.00 0.00 C ATOM 990 CG LYS A 72 -1.114 11.374 0.971 1.00 0.00 C ATOM 991 CD LYS A 72 -0.228 12.590 0.718 1.00 0.00 C ATOM 992 CE LYS A 72 -1.069 13.714 0.095 1.00 0.00 C ATOM 993 NZ LYS A 72 -2.107 14.351 0.924 1.00 0.00 N ATOM 0 H LYS A 72 0.782 8.607 2.918 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.894 9.611 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.061 11.018 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.505 10.031 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.360 10.876 0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.056 11.674 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.217 12.930 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.593 12.323 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.385 14.494 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.554 13.312 -0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.520 15.154 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.852 13.658 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.683 14.691 1.811 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.657 7.684 0.581 1.00 0.00 N ATOM 1008 CA ILE A 73 -2.582 7.177 -0.411 1.00 0.00 C ATOM 1009 C ILE A 73 -3.923 6.757 0.159 1.00 0.00 C ATOM 1010 O ILE A 73 -4.963 7.241 -0.286 1.00 0.00 O ATOM 1011 CB ILE A 73 -1.914 6.158 -1.333 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -1.161 5.107 -0.515 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -1.018 6.945 -2.277 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -0.967 3.863 -1.376 1.00 0.00 C ATOM 0 H ILE A 73 -0.718 7.287 0.549 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.852 8.013 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.642 5.596 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.196 5.499 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.720 4.859 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.516 6.259 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.622 7.649 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.273 7.492 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.431 3.105 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.940 3.472 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.392 4.122 -2.265 1.00 0.00 H new ATOM 1026 N LEU A 74 -3.958 5.743 1.020 1.00 0.00 N ATOM 1027 CA LEU A 74 -5.176 5.199 1.573 1.00 0.00 C ATOM 1028 C LEU A 74 -5.787 6.076 2.660 1.00 0.00 C ATOM 1029 O LEU A 74 -6.978 5.998 2.997 1.00 0.00 O ATOM 1030 CB LEU A 74 -4.996 3.749 1.996 1.00 0.00 C ATOM 1031 CG LEU A 74 -4.285 2.755 1.085 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -4.173 1.355 1.674 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -4.928 2.815 -0.304 1.00 0.00 C ATOM 0 H LEU A 74 -3.117 5.273 1.354 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.915 5.201 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.459 3.756 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.990 3.347 2.195 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.240 3.048 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.656 0.704 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.612 1.397 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.171 0.961 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.429 2.108 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.984 2.557 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.829 3.823 -0.707 1.00 0.00 H new ATOM 1045 N GLY A 75 -5.029 7.036 3.183 1.00 0.00 N ATOM 1046 CA GLY A 75 -5.471 8.003 4.176 1.00 0.00 C ATOM 1047 C GLY A 75 -5.558 7.458 5.605 1.00 0.00 C ATOM 1048 O GLY A 75 -5.631 8.209 6.567 1.00 0.00 O ATOM 0 H GLY A 75 -4.053 7.164 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.787 8.852 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.451 8.380 3.885 1.00 0.00 H new ATOM 1052 N ILE A 76 -5.507 6.137 5.804 1.00 0.00 N ATOM 1053 CA ILE A 76 -5.671 5.359 7.032 1.00 0.00 C ATOM 1054 C ILE A 76 -4.389 5.049 7.776 1.00 0.00 C ATOM 1055 O ILE A 76 -3.364 5.207 7.143 1.00 0.00 O ATOM 1056 CB ILE A 76 -6.402 4.062 6.679 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -5.793 3.405 5.455 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -7.909 4.238 6.467 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -6.152 1.930 5.268 1.00 0.00 C ATOM 0 H ILE A 76 -5.329 5.517 5.014 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.244 5.979 7.721 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.275 3.418 7.549 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.110 3.956 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.708 3.495 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.357 3.275 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.362 4.626 7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.082 4.939 5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.670 1.550 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.809 1.360 6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.233 1.828 5.172 1.00 0.00 H new ATOM 1071 N LYS A 77 -4.393 4.661 9.066 1.00 0.00 N ATOM 1072 CA LYS A 77 -3.296 4.281 9.919 1.00 0.00 C ATOM 1073 C LYS A 77 -3.869 3.765 11.234 1.00 0.00 C ATOM 1074 O LYS A 77 -4.897 4.298 11.624 1.00 0.00 O ATOM 1075 CB LYS A 77 -2.305 5.432 10.083 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.988 6.746 10.433 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.913 7.820 10.531 1.00 0.00 C ATOM 1078 CE LYS A 77 -2.601 9.141 10.886 1.00 0.00 C ATOM 1079 NZ LYS A 77 -1.777 10.002 11.728 1.00 0.00 N ATOM 0 H LYS A 77 -5.276 4.607 9.574 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.716 3.475 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.587 5.180 10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.740 5.555 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.722 7.009 9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.526 6.657 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.178 7.556 11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.377 7.911 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.852 9.672 9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.539 8.930 11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.293 10.881 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.558 9.510 12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.892 10.230 11.231 1.00 0.00 H new ATOM 1093 N LEU A 78 -3.213 2.839 11.950 1.00 0.00 N ATOM 1094 CA LEU A 78 -3.465 2.474 13.331 1.00 0.00 C ATOM 1095 C LEU A 78 -2.274 2.027 14.155 1.00 0.00 C ATOM 1096 O LEU A 78 -1.221 1.588 13.677 1.00 0.00 O ATOM 1097 CB LEU A 78 -4.538 1.389 13.355 1.00 0.00 C ATOM 1098 CG LEU A 78 -6.015 1.773 13.205 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -6.817 0.470 13.220 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -6.512 2.652 14.351 1.00 0.00 C ATOM 0 H LEU A 78 -2.448 2.299 11.545 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.780 3.400 13.813 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.303 0.682 12.559 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.436 0.852 14.298 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.137 2.340 12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.878 0.695 13.115 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.497 -0.164 12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.648 -0.051 14.162 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.563 2.894 14.194 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.399 2.118 15.294 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.929 3.572 14.383 1.00 0.00 H new