USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 583 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 67 MET CE :methyl -129:sc= -1.95! (180deg=-2.73) USER MOD Set 1.2: A 70 SER OG : rot -84:sc= 0.823 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -6.26! C(o=-6.3!,f=-7.5!) USER MOD Single : A 33 THR OG1 : rot 137:sc= 0.452 USER MOD Single : A 36 GLN :FLIP amide:sc= -2.63 F(o=-4.5,f=-2.6) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-6.1!) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.24 F(o=-1.8!,f=-1.2) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.281 F(o=-1.7,f=-0.28) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.639 K(o=-0.64,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -18.828 0.859 4.681 1.00 0.00 N ATOM 144 CA ARG A 6 -18.514 0.599 3.282 1.00 0.00 C ATOM 145 C ARG A 6 -17.005 0.597 3.054 1.00 0.00 C ATOM 146 O ARG A 6 -16.489 -0.178 2.249 1.00 0.00 O ATOM 147 CB ARG A 6 -19.174 1.649 2.385 1.00 0.00 C ATOM 148 CG ARG A 6 -20.693 1.579 2.383 1.00 0.00 C ATOM 149 CD ARG A 6 -21.310 2.888 1.915 1.00 0.00 C ATOM 150 NE ARG A 6 -21.229 3.044 0.466 1.00 0.00 N ATOM 151 CZ ARG A 6 -21.996 3.877 -0.228 1.00 0.00 C ATOM 152 NH1 ARG A 6 -22.897 4.627 0.393 1.00 0.00 N ATOM 153 NH2 ARG A 6 -21.863 3.963 -1.545 1.00 0.00 N ATOM 0 HA ARG A 6 -18.904 -0.386 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.865 2.641 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.811 1.523 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.020 0.768 1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.049 1.346 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -22.354 2.928 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.801 3.722 2.398 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.546 2.482 -0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -23.002 4.565 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -23.485 5.266 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -21.171 3.389 -2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -22.453 4.603 -2.076 1.00 0.00 H new ATOM 167 N VAL A 7 -16.303 1.471 3.768 1.00 0.00 N ATOM 168 CA VAL A 7 -14.854 1.570 3.645 1.00 0.00 C ATOM 169 C VAL A 7 -14.157 0.491 4.466 1.00 0.00 C ATOM 170 O VAL A 7 -14.348 0.400 5.680 1.00 0.00 O ATOM 171 CB VAL A 7 -14.345 2.952 4.097 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.839 3.054 3.911 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.060 4.058 3.335 1.00 0.00 C ATOM 0 H VAL A 7 -16.715 2.121 4.438 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.616 1.430 2.590 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.565 3.071 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.498 4.037 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.346 2.284 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.592 2.914 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.688 5.027 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.873 3.944 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.132 3.996 3.524 1.00 0.00 H new ATOM 183 N LEU A 8 -13.349 -0.324 3.798 1.00 0.00 N ATOM 184 CA LEU A 8 -12.622 -1.398 4.466 1.00 0.00 C ATOM 185 C LEU A 8 -11.187 -0.978 4.768 1.00 0.00 C ATOM 186 O LEU A 8 -10.527 -0.349 3.942 1.00 0.00 O ATOM 187 CB LEU A 8 -12.625 -2.658 3.599 1.00 0.00 C ATOM 188 CG LEU A 8 -13.985 -3.093 3.051 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.874 -4.439 2.352 1.00 0.00 C ATOM 190 CD2 LEU A 8 -15.016 -3.154 4.168 1.00 0.00 C ATOM 0 H LEU A 8 -13.180 -0.262 2.794 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.124 -1.612 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.951 -2.497 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.212 -3.479 4.185 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.313 -2.354 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.852 -4.732 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.168 -4.362 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.523 -5.189 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.977 -3.465 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.693 -3.871 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.117 -2.169 4.624 1.00 0.00 H new ATOM 202 N TYR A 9 -10.710 -1.334 5.956 1.00 0.00 N ATOM 203 CA TYR A 9 -9.354 -0.994 6.367 1.00 0.00 C ATOM 204 C TYR A 9 -8.412 -2.179 6.172 1.00 0.00 C ATOM 205 O TYR A 9 -8.687 -3.287 6.632 1.00 0.00 O ATOM 206 CB TYR A 9 -9.338 -0.552 7.831 1.00 0.00 C ATOM 207 CG TYR A 9 -8.038 -0.854 8.542 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.752 -2.137 8.992 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.095 0.143 8.762 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.565 -2.418 9.642 1.00 0.00 C ATOM 211 CE2 TYR A 9 -5.906 -0.129 9.409 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.646 -1.411 9.848 1.00 0.00 C ATOM 213 OH TYR A 9 -4.462 -1.687 10.494 1.00 0.00 O ATOM 0 H TYR A 9 -11.243 -1.858 6.651 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.008 -0.171 5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.528 0.520 7.880 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.154 -1.045 8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.469 -2.928 8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.296 1.148 8.421 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.359 -3.421 9.987 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.183 0.657 9.571 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.926 -0.869 10.557 1.00 0.00 H new ATOM 223 N VAL A 10 -7.300 -1.936 5.486 1.00 0.00 N ATOM 224 CA VAL A 10 -6.316 -2.981 5.231 1.00 0.00 C ATOM 225 C VAL A 10 -5.003 -2.687 5.948 1.00 0.00 C ATOM 226 O VAL A 10 -4.461 -1.587 5.847 1.00 0.00 O ATOM 227 CB VAL A 10 -6.040 -3.136 3.723 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.102 -4.306 3.469 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.344 -3.312 2.960 1.00 0.00 C ATOM 0 H VAL A 10 -7.058 -1.025 5.097 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.736 -3.911 5.614 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.554 -2.228 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.919 -4.400 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.157 -4.134 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.557 -5.224 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.131 -3.420 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.859 -4.203 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.978 -2.439 3.116 1.00 0.00 H new ATOM 239 N GLY A 11 -4.496 -3.679 6.674 1.00 0.00 N ATOM 240 CA GLY A 11 -3.250 -3.507 7.398 1.00 0.00 C ATOM 241 C GLY A 11 -2.268 -4.631 7.137 1.00 0.00 C ATOM 242 O GLY A 11 -2.637 -5.675 6.599 1.00 0.00 O ATOM 0 H GLY A 11 -4.926 -4.599 6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.796 -2.558 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.459 -3.452 8.466 1.00 0.00 H new ATOM 246 N GLY A 12 -1.012 -4.418 7.517 1.00 0.00 N ATOM 247 CA GLY A 12 0.008 -5.430 7.310 1.00 0.00 C ATOM 248 C GLY A 12 0.397 -5.572 5.852 1.00 0.00 C ATOM 249 O GLY A 12 0.813 -6.645 5.415 1.00 0.00 O ATOM 0 H GLY A 12 -0.682 -3.563 7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.892 -5.176 7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.355 -6.388 7.681 1.00 0.00 H new ATOM 253 N LEU A 13 0.259 -4.488 5.097 1.00 0.00 N ATOM 254 CA LEU A 13 0.598 -4.496 3.678 1.00 0.00 C ATOM 255 C LEU A 13 2.110 -4.476 3.479 1.00 0.00 C ATOM 256 O LEU A 13 2.871 -4.365 4.440 1.00 0.00 O ATOM 257 CB LEU A 13 -0.036 -3.295 2.975 1.00 0.00 C ATOM 258 CG LEU A 13 -1.557 -3.335 2.818 1.00 0.00 C ATOM 259 CD1 LEU A 13 -2.083 -1.981 2.368 1.00 0.00 C ATOM 260 CD2 LEU A 13 -1.963 -4.421 1.833 1.00 0.00 C ATOM 0 H LEU A 13 -0.085 -3.592 5.443 1.00 0.00 H new ATOM 0 HA LEU A 13 0.205 -5.414 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.228 -2.394 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.409 -3.203 1.984 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.997 -3.569 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.167 -2.029 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.824 -1.225 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.636 -1.717 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.048 -4.435 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.512 -4.218 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.619 -5.389 2.197 1.00 0.00 H new ATOM 272 N ALA A 14 2.539 -4.581 2.225 1.00 0.00 N ATOM 273 CA ALA A 14 3.959 -4.570 1.900 1.00 0.00 C ATOM 274 C ALA A 14 4.457 -3.149 1.659 1.00 0.00 C ATOM 275 O ALA A 14 3.680 -2.195 1.697 1.00 0.00 O ATOM 276 CB ALA A 14 4.228 -5.439 0.680 1.00 0.00 C ATOM 0 H ALA A 14 1.922 -4.675 1.418 1.00 0.00 H new ATOM 0 HA ALA A 14 4.504 -4.978 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.293 -5.422 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.919 -6.463 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.665 -5.055 -0.171 1.00 0.00 H new ATOM 282 N GLU A 15 5.756 -3.015 1.412 1.00 0.00 N ATOM 283 CA GLU A 15 6.356 -1.709 1.167 1.00 0.00 C ATOM 284 C GLU A 15 6.180 -1.295 -0.291 1.00 0.00 C ATOM 285 O GLU A 15 6.335 -0.124 -0.637 1.00 0.00 O ATOM 286 CB GLU A 15 7.843 -1.730 1.527 1.00 0.00 C ATOM 287 CG GLU A 15 8.697 -2.509 0.541 1.00 0.00 C ATOM 288 CD GLU A 15 10.117 -1.985 0.458 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.929 -2.331 1.342 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.417 -1.230 -0.490 1.00 0.00 O ATOM 0 H GLU A 15 6.413 -3.795 1.376 1.00 0.00 H new ATOM 0 HA GLU A 15 5.848 -0.980 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.209 -0.705 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.962 -2.164 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.718 -3.559 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.238 -2.463 -0.447 1.00 0.00 H new ATOM 297 N GLU A 16 5.857 -2.265 -1.141 1.00 0.00 N ATOM 298 CA GLU A 16 5.662 -2.001 -2.562 1.00 0.00 C ATOM 299 C GLU A 16 4.177 -1.927 -2.902 1.00 0.00 C ATOM 300 O GLU A 16 3.798 -1.479 -3.985 1.00 0.00 O ATOM 301 CB GLU A 16 6.336 -3.088 -3.402 1.00 0.00 C ATOM 302 CG GLU A 16 5.421 -4.255 -3.734 1.00 0.00 C ATOM 303 CD GLU A 16 6.187 -5.495 -4.151 1.00 0.00 C ATOM 304 OE1 GLU A 16 6.714 -5.515 -5.283 1.00 0.00 O ATOM 305 OE2 GLU A 16 6.259 -6.446 -3.345 1.00 0.00 O ATOM 0 H GLU A 16 5.725 -3.240 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 16 6.118 -1.038 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.698 -2.646 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.208 -3.462 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.805 -4.488 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.743 -3.964 -4.537 1.00 0.00 H new ATOM 312 N VAL A 17 3.339 -2.370 -1.970 1.00 0.00 N ATOM 313 CA VAL A 17 1.895 -2.354 -2.171 1.00 0.00 C ATOM 314 C VAL A 17 1.338 -0.940 -2.046 1.00 0.00 C ATOM 315 O VAL A 17 1.793 -0.154 -1.214 1.00 0.00 O ATOM 316 CB VAL A 17 1.178 -3.267 -1.158 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.317 -3.301 -1.436 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.768 -4.668 -1.194 1.00 0.00 C ATOM 0 H VAL A 17 3.635 -2.744 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 17 1.711 -2.726 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 17 1.328 -2.860 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.807 -3.951 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.725 -2.294 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.491 -3.683 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.250 -5.300 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.650 -5.087 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.828 -4.623 -0.942 1.00 0.00 H new ATOM 328 N ASP A 18 0.352 -0.623 -2.878 1.00 0.00 N ATOM 329 CA ASP A 18 -0.268 0.697 -2.861 1.00 0.00 C ATOM 330 C ASP A 18 -1.731 0.615 -3.286 1.00 0.00 C ATOM 331 O ASP A 18 -2.240 -0.464 -3.588 1.00 0.00 O ATOM 332 CB ASP A 18 0.491 1.653 -3.782 1.00 0.00 C ATOM 333 CG ASP A 18 1.876 1.982 -3.260 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.724 1.067 -3.211 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.112 3.155 -2.901 1.00 0.00 O ATOM 0 H ASP A 18 -0.035 -1.262 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.225 1.078 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.576 1.207 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.080 2.575 -3.895 1.00 0.00 H new ATOM 340 N ASP A 19 -2.401 1.762 -3.305 1.00 0.00 N ATOM 341 CA ASP A 19 -3.805 1.821 -3.693 1.00 0.00 C ATOM 342 C ASP A 19 -4.037 1.086 -5.010 1.00 0.00 C ATOM 343 O ASP A 19 -5.088 0.482 -5.220 1.00 0.00 O ATOM 344 CB ASP A 19 -4.262 3.275 -3.818 1.00 0.00 C ATOM 345 CG ASP A 19 -3.344 4.095 -4.704 1.00 0.00 C ATOM 346 OD1 ASP A 19 -2.336 4.622 -4.188 1.00 0.00 O ATOM 347 OD2 ASP A 19 -3.634 4.209 -5.913 1.00 0.00 O ATOM 0 H ASP A 19 -1.994 2.664 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.391 1.330 -2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.273 3.302 -4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.304 3.726 -2.827 1.00 0.00 H new ATOM 352 N LYS A 20 -3.047 1.143 -5.895 1.00 0.00 N ATOM 353 CA LYS A 20 -3.141 0.484 -7.192 1.00 0.00 C ATOM 354 C LYS A 20 -3.154 -1.033 -7.032 1.00 0.00 C ATOM 355 O LYS A 20 -4.013 -1.718 -7.587 1.00 0.00 O ATOM 356 CB LYS A 20 -1.972 0.903 -8.086 1.00 0.00 C ATOM 357 CG LYS A 20 -0.611 0.540 -7.517 1.00 0.00 C ATOM 358 CD LYS A 20 0.515 1.168 -8.322 1.00 0.00 C ATOM 359 CE LYS A 20 1.854 0.517 -8.008 1.00 0.00 C ATOM 360 NZ LYS A 20 2.971 1.160 -8.755 1.00 0.00 N ATOM 0 H LYS A 20 -2.170 1.639 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.076 0.790 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.085 0.432 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.015 1.981 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.548 0.873 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.495 -0.544 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.302 1.069 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.568 2.235 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.048 0.582 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.811 -0.543 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.866 0.689 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.799 1.075 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.029 2.166 -8.496 1.00 0.00 H new ATOM 374 N VAL A 21 -2.198 -1.551 -6.267 1.00 0.00 N ATOM 375 CA VAL A 21 -2.101 -2.986 -6.032 1.00 0.00 C ATOM 376 C VAL A 21 -3.361 -3.519 -5.359 1.00 0.00 C ATOM 377 O VAL A 21 -3.899 -4.554 -5.754 1.00 0.00 O ATOM 378 CB VAL A 21 -0.880 -3.331 -5.158 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.750 -4.837 -4.993 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.387 -2.740 -5.757 1.00 0.00 C ATOM 0 H VAL A 21 -1.480 -0.998 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.985 -3.459 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.026 -2.893 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.118 -5.062 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.648 -5.230 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.626 -5.301 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.240 -2.993 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.541 -3.147 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.290 -1.656 -5.817 1.00 0.00 H new ATOM 390 N LEU A 22 -3.828 -2.805 -4.340 1.00 0.00 N ATOM 391 CA LEU A 22 -5.026 -3.205 -3.611 1.00 0.00 C ATOM 392 C LEU A 22 -6.273 -3.019 -4.470 1.00 0.00 C ATOM 393 O LEU A 22 -7.260 -3.739 -4.313 1.00 0.00 O ATOM 394 CB LEU A 22 -5.156 -2.395 -2.320 1.00 0.00 C ATOM 395 CG LEU A 22 -4.286 -2.853 -1.150 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.259 -1.794 -0.058 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.790 -4.178 -0.597 1.00 0.00 C ATOM 0 H LEU A 22 -3.395 -1.946 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.934 -4.262 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.914 -1.355 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.199 -2.419 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.269 -2.997 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.635 -2.138 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.851 -0.867 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.272 -1.618 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.159 -4.489 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.816 -4.060 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.757 -4.935 -1.380 1.00 0.00 H new ATOM 409 N HIS A 23 -6.221 -2.051 -5.378 1.00 0.00 N ATOM 410 CA HIS A 23 -7.346 -1.772 -6.264 1.00 0.00 C ATOM 411 C HIS A 23 -7.632 -2.966 -7.170 1.00 0.00 C ATOM 412 O HIS A 23 -8.742 -3.497 -7.180 1.00 0.00 O ATOM 413 CB HIS A 23 -7.060 -0.531 -7.111 1.00 0.00 C ATOM 414 CG HIS A 23 -8.064 -0.305 -8.199 1.00 0.00 C ATOM 415 ND1 HIS A 23 -8.488 -1.302 -9.051 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.729 0.814 -8.571 1.00 0.00 C ATOM 417 CE1 HIS A 23 -9.370 -0.807 -9.901 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.535 0.476 -9.630 1.00 0.00 N ATOM 0 H HIS A 23 -5.412 -1.446 -5.520 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.226 -1.587 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.036 0.344 -6.462 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.069 -0.625 -7.556 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.642 1.791 -8.119 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.871 -1.357 -10.684 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.159 1.112 -10.127 1.00 0.00 H new ATOM 426 N ALA A 24 -6.624 -3.381 -7.930 1.00 0.00 N ATOM 427 CA ALA A 24 -6.768 -4.512 -8.839 1.00 0.00 C ATOM 428 C ALA A 24 -6.860 -5.825 -8.069 1.00 0.00 C ATOM 429 O ALA A 24 -7.243 -6.855 -8.624 1.00 0.00 O ATOM 430 CB ALA A 24 -5.605 -4.552 -9.819 1.00 0.00 C ATOM 0 H ALA A 24 -5.699 -2.951 -7.934 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.695 -4.383 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.725 -5.401 -10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.586 -3.629 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.669 -4.654 -9.269 1.00 0.00 H new ATOM 436 N ALA A 25 -6.506 -5.782 -6.789 1.00 0.00 N ATOM 437 CA ALA A 25 -6.551 -6.968 -5.944 1.00 0.00 C ATOM 438 C ALA A 25 -7.924 -7.134 -5.302 1.00 0.00 C ATOM 439 O ALA A 25 -8.282 -8.222 -4.849 1.00 0.00 O ATOM 440 CB ALA A 25 -5.472 -6.895 -4.874 1.00 0.00 C ATOM 0 H ALA A 25 -6.185 -4.938 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.366 -7.839 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.517 -7.788 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.493 -6.833 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.632 -6.012 -4.256 1.00 0.00 H new ATOM 446 N PHE A 26 -8.690 -6.049 -5.266 1.00 0.00 N ATOM 447 CA PHE A 26 -10.024 -6.075 -4.678 1.00 0.00 C ATOM 448 C PHE A 26 -11.089 -5.782 -5.731 1.00 0.00 C ATOM 449 O PHE A 26 -12.282 -5.744 -5.429 1.00 0.00 O ATOM 450 CB PHE A 26 -10.123 -5.056 -3.540 1.00 0.00 C ATOM 451 CG PHE A 26 -9.496 -5.526 -2.259 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.219 -6.064 -2.253 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.184 -5.431 -1.060 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.639 -6.497 -1.076 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.609 -5.863 0.121 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.336 -6.397 0.113 1.00 0.00 C ATOM 0 H PHE A 26 -8.410 -5.141 -5.637 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.198 -7.074 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.643 -4.128 -3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.173 -4.827 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.670 -6.146 -3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.181 -5.015 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.642 -6.913 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.155 -5.783 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.886 -6.736 1.034 1.00 0.00 H new ATOM 466 N ILE A 27 -10.648 -5.575 -6.967 1.00 0.00 N ATOM 467 CA ILE A 27 -11.562 -5.285 -8.065 1.00 0.00 C ATOM 468 C ILE A 27 -12.557 -6.423 -8.267 1.00 0.00 C ATOM 469 O ILE A 27 -13.701 -6.217 -8.671 1.00 0.00 O ATOM 470 CB ILE A 27 -10.801 -5.045 -9.383 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.679 -4.275 -10.371 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.352 -6.368 -9.984 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.981 -2.858 -9.934 1.00 0.00 C ATOM 0 H ILE A 27 -9.664 -5.603 -7.233 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.101 -4.377 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.915 -4.446 -9.170 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.183 -4.250 -11.342 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.617 -4.813 -10.506 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.816 -6.182 -10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.694 -6.882 -9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.224 -6.990 -10.186 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.608 -2.372 -10.682 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.505 -2.876 -8.978 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.049 -2.304 -9.827 1.00 0.00 H new ATOM 485 N PRO A 28 -12.113 -7.656 -7.977 1.00 0.00 N ATOM 486 CA PRO A 28 -12.949 -8.851 -8.116 1.00 0.00 C ATOM 487 C PRO A 28 -14.195 -8.792 -7.239 1.00 0.00 C ATOM 488 O PRO A 28 -15.308 -9.036 -7.707 1.00 0.00 O ATOM 489 CB PRO A 28 -12.027 -9.984 -7.659 1.00 0.00 C ATOM 490 CG PRO A 28 -10.650 -9.437 -7.811 1.00 0.00 C ATOM 491 CD PRO A 28 -10.760 -7.976 -7.491 1.00 0.00 C ATOM 0 HA PRO A 28 -13.323 -8.971 -9.133 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.229 -10.266 -6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.167 -10.878 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.954 -9.935 -7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.277 -9.590 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.654 -7.783 -6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.995 -7.389 -7.999 1.00 0.00 H new ATOM 499 N PHE A 29 -14.002 -8.467 -5.966 1.00 0.00 N ATOM 500 CA PHE A 29 -15.111 -8.376 -5.023 1.00 0.00 C ATOM 501 C PHE A 29 -16.226 -7.495 -5.578 1.00 0.00 C ATOM 502 O PHE A 29 -17.294 -7.983 -5.944 1.00 0.00 O ATOM 503 CB PHE A 29 -14.625 -7.819 -3.683 1.00 0.00 C ATOM 504 CG PHE A 29 -13.739 -8.767 -2.927 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.285 -9.755 -2.123 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.360 -8.669 -3.018 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.472 -10.629 -1.425 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.542 -9.540 -2.324 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.099 -10.520 -1.525 1.00 0.00 C ATOM 0 H PHE A 29 -13.088 -8.262 -5.563 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.507 -9.380 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.083 -6.890 -3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.489 -7.572 -3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.358 -9.843 -2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.919 -7.903 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.910 -11.395 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.468 -9.455 -2.406 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.461 -11.200 -0.979 1.00 0.00 H new ATOM 519 N GLY A 30 -15.969 -6.192 -5.637 1.00 0.00 N ATOM 520 CA GLY A 30 -16.960 -5.262 -6.148 1.00 0.00 C ATOM 521 C GLY A 30 -16.369 -4.263 -7.123 1.00 0.00 C ATOM 522 O GLY A 30 -15.459 -4.592 -7.884 1.00 0.00 O ATOM 0 H GLY A 30 -15.092 -5.763 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.756 -5.819 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.415 -4.726 -5.315 1.00 0.00 H new ATOM 526 N ASP A 31 -16.888 -3.040 -7.101 1.00 0.00 N ATOM 527 CA ASP A 31 -16.407 -1.989 -7.990 1.00 0.00 C ATOM 528 C ASP A 31 -15.818 -0.830 -7.193 1.00 0.00 C ATOM 529 O ASP A 31 -16.439 0.225 -7.062 1.00 0.00 O ATOM 530 CB ASP A 31 -17.543 -1.486 -8.882 1.00 0.00 C ATOM 531 CG ASP A 31 -17.042 -0.642 -10.037 1.00 0.00 C ATOM 532 OD1 ASP A 31 -16.317 0.343 -9.783 1.00 0.00 O ATOM 533 OD2 ASP A 31 -17.373 -0.968 -11.196 1.00 0.00 O ATOM 0 H ASP A 31 -17.642 -2.752 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.622 -2.410 -8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.099 -2.338 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.239 -0.900 -8.283 1.00 0.00 H new ATOM 538 N ILE A 32 -14.618 -1.034 -6.661 1.00 0.00 N ATOM 539 CA ILE A 32 -13.946 -0.005 -5.876 1.00 0.00 C ATOM 540 C ILE A 32 -14.232 1.385 -6.432 1.00 0.00 C ATOM 541 O ILE A 32 -13.916 1.683 -7.585 1.00 0.00 O ATOM 542 CB ILE A 32 -12.422 -0.228 -5.842 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.095 -1.563 -5.168 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.735 0.919 -5.118 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.668 -2.015 -5.384 1.00 0.00 C ATOM 0 H ILE A 32 -14.091 -1.902 -6.759 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.338 -0.076 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.051 -0.259 -6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.282 -1.476 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.772 -2.328 -5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.659 0.747 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.945 1.854 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.108 0.979 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.508 -2.967 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.482 -2.135 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.985 -1.269 -4.978 1.00 0.00 H new ATOM 557 N THR A 33 -14.832 2.236 -5.605 1.00 0.00 N ATOM 558 CA THR A 33 -15.161 3.596 -6.013 1.00 0.00 C ATOM 559 C THR A 33 -13.959 4.522 -5.859 1.00 0.00 C ATOM 560 O THR A 33 -13.671 5.331 -6.741 1.00 0.00 O ATOM 561 CB THR A 33 -16.337 4.160 -5.194 1.00 0.00 C ATOM 562 OG1 THR A 33 -15.992 4.200 -3.805 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.586 3.313 -5.387 1.00 0.00 C ATOM 0 H THR A 33 -15.100 2.007 -4.648 1.00 0.00 H new ATOM 0 HA THR A 33 -15.449 3.550 -7.063 1.00 0.00 H new ATOM 0 HB THR A 33 -16.544 5.171 -5.546 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.288 5.051 -3.419 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.403 3.731 -4.799 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.863 3.308 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.388 2.292 -5.059 1.00 0.00 H new ATOM 571 N ASP A 34 -13.262 4.396 -4.736 1.00 0.00 N ATOM 572 CA ASP A 34 -12.090 5.221 -4.467 1.00 0.00 C ATOM 573 C ASP A 34 -11.237 4.610 -3.359 1.00 0.00 C ATOM 574 O ASP A 34 -11.760 3.996 -2.428 1.00 0.00 O ATOM 575 CB ASP A 34 -12.515 6.638 -4.078 1.00 0.00 C ATOM 576 CG ASP A 34 -11.371 7.629 -4.163 1.00 0.00 C ATOM 577 OD1 ASP A 34 -10.623 7.589 -5.163 1.00 0.00 O ATOM 578 OD2 ASP A 34 -11.224 8.446 -3.230 1.00 0.00 O ATOM 0 H ASP A 34 -13.488 3.730 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.492 5.267 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.324 6.964 -4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.910 6.630 -3.062 1.00 0.00 H new ATOM 583 N ILE A 35 -9.924 4.782 -3.467 1.00 0.00 N ATOM 584 CA ILE A 35 -9.000 4.248 -2.474 1.00 0.00 C ATOM 585 C ILE A 35 -8.163 5.358 -1.849 1.00 0.00 C ATOM 586 O ILE A 35 -7.804 6.328 -2.516 1.00 0.00 O ATOM 587 CB ILE A 35 -8.060 3.195 -3.090 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.856 1.967 -3.536 1.00 0.00 C ATOM 589 CG2 ILE A 35 -6.982 2.800 -2.092 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.013 0.919 -4.229 1.00 0.00 C ATOM 0 H ILE A 35 -9.476 5.287 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.605 3.775 -1.701 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.577 3.629 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.335 1.519 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.652 2.285 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.325 2.055 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.399 3.680 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.448 2.382 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.643 0.078 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.555 1.351 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.233 0.573 -3.551 1.00 0.00 H new ATOM 602 N GLN A 36 -7.854 5.207 -0.565 1.00 0.00 N ATOM 603 CA GLN A 36 -7.057 6.197 0.150 1.00 0.00 C ATOM 604 C GLN A 36 -5.828 5.552 0.782 1.00 0.00 C ATOM 605 O GLN A 36 -5.905 4.453 1.331 1.00 0.00 O ATOM 606 CB GLN A 36 -7.901 6.880 1.228 1.00 0.00 C ATOM 607 CG GLN A 36 -9.025 7.736 0.668 1.00 0.00 C ATOM 608 CD GLN A 36 -10.136 6.909 0.050 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.364 7.098 -1.244 1.00 0.00 O flip ATOM 610 NE2 GLN A 36 -10.782 6.110 0.729 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.143 4.409 0.001 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.723 6.946 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.326 6.118 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.253 7.503 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.438 8.354 1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.620 8.414 -0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.572 5.997 1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.527 5.561 0.300 1.00 0.00 H new ATOM 619 N ILE A 37 -4.696 6.243 0.701 1.00 0.00 N ATOM 620 CA ILE A 37 -3.451 5.738 1.266 1.00 0.00 C ATOM 621 C ILE A 37 -2.848 6.737 2.249 1.00 0.00 C ATOM 622 O ILE A 37 -2.536 7.876 1.901 1.00 0.00 O ATOM 623 CB ILE A 37 -2.418 5.430 0.166 1.00 0.00 C ATOM 624 CG1 ILE A 37 -2.961 4.367 -0.791 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.106 4.972 0.785 1.00 0.00 C ATOM 626 CD1 ILE A 37 -2.899 2.962 -0.232 1.00 0.00 C ATOM 0 H ILE A 37 -4.615 7.154 0.250 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.695 4.815 1.793 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.231 6.342 -0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.996 4.606 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.395 4.404 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.386 4.758 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.714 5.758 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.277 4.071 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.300 2.261 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.863 2.703 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.489 2.908 0.683 1.00 0.00 H new ATOM 638 N PRO A 38 -2.678 6.301 3.506 1.00 0.00 N ATOM 639 CA PRO A 38 -2.109 7.140 4.564 1.00 0.00 C ATOM 640 C PRO A 38 -0.623 7.411 4.353 1.00 0.00 C ATOM 641 O PRO A 38 0.224 6.589 4.705 1.00 0.00 O ATOM 642 CB PRO A 38 -2.326 6.308 5.831 1.00 0.00 C ATOM 643 CG PRO A 38 -2.394 4.899 5.352 1.00 0.00 C ATOM 644 CD PRO A 38 -3.028 4.955 3.990 1.00 0.00 C ATOM 0 HA PRO A 38 -2.575 8.125 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.510 6.446 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.244 6.597 6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.400 4.456 5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.983 4.284 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.638 4.178 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.108 4.815 4.043 1.00 0.00 H new ATOM 652 N LEU A 39 -0.314 8.568 3.779 1.00 0.00 N ATOM 653 CA LEU A 39 1.071 8.948 3.521 1.00 0.00 C ATOM 654 C LEU A 39 1.492 10.109 4.416 1.00 0.00 C ATOM 655 O LEU A 39 0.653 10.775 5.023 1.00 0.00 O ATOM 656 CB LEU A 39 1.251 9.331 2.051 1.00 0.00 C ATOM 657 CG LEU A 39 1.047 8.207 1.035 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.524 8.640 -0.342 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.774 6.947 1.481 1.00 0.00 C ATOM 0 H LEU A 39 -1.003 9.259 3.483 1.00 0.00 H new ATOM 0 HA LEU A 39 1.705 8.091 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.553 10.135 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.256 9.733 1.921 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.019 7.986 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.371 7.827 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.959 9.515 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.584 8.889 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.618 6.157 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.840 7.154 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.385 6.625 2.447 1.00 0.00 H new ATOM 671 N ASP A 40 2.797 10.348 4.492 1.00 0.00 N ATOM 672 CA ASP A 40 3.330 11.431 5.310 1.00 0.00 C ATOM 673 C ASP A 40 3.615 12.665 4.460 1.00 0.00 C ATOM 674 O ASP A 40 3.415 12.653 3.245 1.00 0.00 O ATOM 675 CB ASP A 40 4.606 10.981 6.022 1.00 0.00 C ATOM 676 CG ASP A 40 4.833 11.718 7.327 1.00 0.00 C ATOM 677 OD1 ASP A 40 3.894 12.394 7.797 1.00 0.00 O ATOM 678 OD2 ASP A 40 5.950 11.621 7.878 1.00 0.00 O ATOM 0 H ASP A 40 3.505 9.806 3.997 1.00 0.00 H new ATOM 0 HA ASP A 40 2.580 11.692 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.551 9.910 6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.461 11.141 5.365 1.00 0.00 H new ATOM 683 N TYR A 41 4.082 13.727 5.106 1.00 0.00 N ATOM 684 CA TYR A 41 4.392 14.970 4.409 1.00 0.00 C ATOM 685 C TYR A 41 5.897 15.132 4.226 1.00 0.00 C ATOM 686 O TYR A 41 6.357 16.066 3.571 1.00 0.00 O ATOM 687 CB TYR A 41 3.829 16.165 5.181 1.00 0.00 C ATOM 688 CG TYR A 41 4.612 16.502 6.430 1.00 0.00 C ATOM 689 CD1 TYR A 41 5.763 17.277 6.365 1.00 0.00 C ATOM 690 CD2 TYR A 41 4.199 16.045 7.676 1.00 0.00 C ATOM 691 CE1 TYR A 41 6.482 17.585 7.504 1.00 0.00 C ATOM 692 CE2 TYR A 41 4.910 16.350 8.821 1.00 0.00 C ATOM 693 CZ TYR A 41 6.051 17.120 8.729 1.00 0.00 C ATOM 694 OH TYR A 41 6.763 17.427 9.866 1.00 0.00 O ATOM 0 H TYR A 41 4.254 13.753 6.111 1.00 0.00 H new ATOM 0 HA TYR A 41 3.928 14.930 3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.814 17.036 4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.795 15.955 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.102 17.645 5.408 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.307 15.441 7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.376 18.186 7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.575 15.988 9.782 1.00 0.00 H new ATOM 0 HH TYR A 41 6.325 17.024 10.645 1.00 0.00 H new ATOM 704 N GLU A 42 6.660 14.213 4.810 1.00 0.00 N ATOM 705 CA GLU A 42 8.114 14.253 4.712 1.00 0.00 C ATOM 706 C GLU A 42 8.651 12.983 4.058 1.00 0.00 C ATOM 707 O GLU A 42 9.720 12.988 3.447 1.00 0.00 O ATOM 708 CB GLU A 42 8.737 14.427 6.099 1.00 0.00 C ATOM 709 CG GLU A 42 7.913 13.812 7.217 1.00 0.00 C ATOM 710 CD GLU A 42 8.724 13.579 8.478 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.882 13.127 8.362 1.00 0.00 O ATOM 712 OE2 GLU A 42 8.200 13.847 9.579 1.00 0.00 O ATOM 0 H GLU A 42 6.295 13.432 5.356 1.00 0.00 H new ATOM 0 HA GLU A 42 8.386 15.105 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.730 13.977 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.868 15.491 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.072 14.466 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.496 12.864 6.877 1.00 0.00 H new ATOM 719 N THR A 43 7.900 11.893 4.191 1.00 0.00 N ATOM 720 CA THR A 43 8.300 10.615 3.615 1.00 0.00 C ATOM 721 C THR A 43 7.285 10.136 2.583 1.00 0.00 C ATOM 722 O THR A 43 7.569 9.238 1.791 1.00 0.00 O ATOM 723 CB THR A 43 8.459 9.535 4.701 1.00 0.00 C ATOM 724 OG1 THR A 43 7.295 9.504 5.535 1.00 0.00 O ATOM 725 CG2 THR A 43 9.692 9.801 5.552 1.00 0.00 C ATOM 0 H THR A 43 7.012 11.870 4.692 1.00 0.00 H new ATOM 0 HA THR A 43 9.262 10.775 3.128 1.00 0.00 H new ATOM 0 HB THR A 43 8.578 8.570 4.208 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.403 8.814 6.222 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.784 9.025 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.579 9.795 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.598 10.773 6.035 1.00 0.00 H new ATOM 733 N GLU A 44 6.102 10.742 2.597 1.00 0.00 N ATOM 734 CA GLU A 44 5.046 10.376 1.661 1.00 0.00 C ATOM 735 C GLU A 44 4.892 8.860 1.581 1.00 0.00 C ATOM 736 O GLU A 44 4.492 8.318 0.550 1.00 0.00 O ATOM 737 CB GLU A 44 5.345 10.944 0.272 1.00 0.00 C ATOM 738 CG GLU A 44 5.131 12.444 0.169 1.00 0.00 C ATOM 739 CD GLU A 44 3.669 12.815 0.013 1.00 0.00 C ATOM 740 OE1 GLU A 44 2.963 12.136 -0.761 1.00 0.00 O ATOM 741 OE2 GLU A 44 3.231 13.786 0.667 1.00 0.00 O ATOM 0 H GLU A 44 5.851 11.488 3.246 1.00 0.00 H new ATOM 0 HA GLU A 44 4.110 10.800 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.378 10.714 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.711 10.444 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.531 12.926 1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.693 12.830 -0.682 1.00 0.00 H new ATOM 748 N LYS A 45 5.213 8.180 2.676 1.00 0.00 N ATOM 749 CA LYS A 45 5.110 6.726 2.732 1.00 0.00 C ATOM 750 C LYS A 45 4.029 6.295 3.718 1.00 0.00 C ATOM 751 O LYS A 45 3.641 7.058 4.602 1.00 0.00 O ATOM 752 CB LYS A 45 6.454 6.115 3.133 1.00 0.00 C ATOM 753 CG LYS A 45 6.739 6.196 4.623 1.00 0.00 C ATOM 754 CD LYS A 45 8.160 5.763 4.944 1.00 0.00 C ATOM 755 CE LYS A 45 8.411 5.741 6.444 1.00 0.00 C ATOM 756 NZ LYS A 45 7.946 4.470 7.065 1.00 0.00 N ATOM 0 H LYS A 45 5.547 8.612 3.537 1.00 0.00 H new ATOM 0 HA LYS A 45 4.836 6.367 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.475 5.070 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.251 6.624 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.582 7.218 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.034 5.564 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.342 4.772 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.865 6.443 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.476 5.871 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.898 6.582 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.135 4.494 8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.925 4.358 6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.454 3.669 6.638 1.00 0.00 H new ATOM 770 N HIS A 46 3.547 5.066 3.560 1.00 0.00 N ATOM 771 CA HIS A 46 2.512 4.532 4.438 1.00 0.00 C ATOM 772 C HIS A 46 3.109 3.569 5.460 1.00 0.00 C ATOM 773 O HIS A 46 4.176 2.996 5.237 1.00 0.00 O ATOM 774 CB HIS A 46 1.435 3.821 3.618 1.00 0.00 C ATOM 775 CG HIS A 46 1.926 2.586 2.928 1.00 0.00 C ATOM 776 ND1 HIS A 46 1.497 1.318 3.258 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.815 2.430 1.919 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.101 0.435 2.483 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.906 1.084 1.661 1.00 0.00 N ATOM 0 H HIS A 46 3.857 4.422 2.832 1.00 0.00 H new ATOM 0 HA HIS A 46 2.059 5.366 4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.606 3.555 4.274 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.042 4.512 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.353 3.217 1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.961 -0.635 2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.499 0.655 0.950 1.00 0.00 H new ATOM 787 N ARG A 47 2.416 3.397 6.580 1.00 0.00 N ATOM 788 CA ARG A 47 2.879 2.506 7.636 1.00 0.00 C ATOM 789 C ARG A 47 2.405 1.077 7.388 1.00 0.00 C ATOM 790 O ARG A 47 2.222 0.301 8.326 1.00 0.00 O ATOM 791 CB ARG A 47 2.379 2.991 8.999 1.00 0.00 C ATOM 792 CG ARG A 47 3.265 4.053 9.629 1.00 0.00 C ATOM 793 CD ARG A 47 2.971 5.433 9.059 1.00 0.00 C ATOM 794 NE ARG A 47 3.317 6.497 9.997 1.00 0.00 N ATOM 795 CZ ARG A 47 2.652 6.728 11.124 1.00 0.00 C ATOM 796 NH1 ARG A 47 1.613 5.973 11.451 1.00 0.00 N ATOM 797 NH2 ARG A 47 3.028 7.716 11.926 1.00 0.00 N ATOM 0 H ARG A 47 1.531 3.863 6.780 1.00 0.00 H new ATOM 0 HA ARG A 47 3.969 2.515 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.371 3.391 8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.310 2.139 9.676 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.111 4.063 10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.312 3.803 9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.530 5.570 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.913 5.503 8.806 1.00 0.00 H new ATOM 0 HE ARG A 47 4.113 7.096 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.322 5.212 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.104 6.153 12.317 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.828 8.298 11.677 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.517 7.893 12.791 1.00 0.00 H new ATOM 811 N GLY A 48 2.206 0.736 6.118 1.00 0.00 N ATOM 812 CA GLY A 48 1.755 -0.598 5.770 1.00 0.00 C ATOM 813 C GLY A 48 0.266 -0.783 5.992 1.00 0.00 C ATOM 814 O GLY A 48 -0.158 -1.742 6.636 1.00 0.00 O ATOM 0 H GLY A 48 2.349 1.360 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.991 -0.797 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.302 -1.330 6.365 1.00 0.00 H new ATOM 818 N PHE A 49 -0.529 0.139 5.458 1.00 0.00 N ATOM 819 CA PHE A 49 -1.978 0.075 5.603 1.00 0.00 C ATOM 820 C PHE A 49 -2.661 1.098 4.700 1.00 0.00 C ATOM 821 O PHE A 49 -2.015 1.998 4.165 1.00 0.00 O ATOM 822 CB PHE A 49 -2.377 0.317 7.060 1.00 0.00 C ATOM 823 CG PHE A 49 -2.306 1.761 7.469 1.00 0.00 C ATOM 824 CD1 PHE A 49 -1.118 2.466 7.364 1.00 0.00 C ATOM 825 CD2 PHE A 49 -3.426 2.413 7.958 1.00 0.00 C ATOM 826 CE1 PHE A 49 -1.049 3.794 7.740 1.00 0.00 C ATOM 827 CE2 PHE A 49 -3.364 3.741 8.335 1.00 0.00 C ATOM 828 CZ PHE A 49 -2.173 4.433 8.225 1.00 0.00 C ATOM 0 H PHE A 49 -0.194 0.939 4.921 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.304 -0.921 5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.393 -0.047 7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.726 -0.269 7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.236 1.972 6.984 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.359 1.877 8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.116 4.332 7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.245 4.237 8.715 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.121 5.471 8.518 1.00 0.00 H new ATOM 838 N ALA A 50 -3.971 0.951 4.534 1.00 0.00 N ATOM 839 CA ALA A 50 -4.742 1.862 3.698 1.00 0.00 C ATOM 840 C ALA A 50 -6.239 1.617 3.855 1.00 0.00 C ATOM 841 O ALA A 50 -6.663 0.802 4.674 1.00 0.00 O ATOM 842 CB ALA A 50 -4.332 1.715 2.240 1.00 0.00 C ATOM 0 H ALA A 50 -4.521 0.209 4.968 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.531 2.881 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.916 2.401 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.272 1.947 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.514 0.691 1.912 1.00 0.00 H new ATOM 848 N PHE A 51 -7.037 2.328 3.064 1.00 0.00 N ATOM 849 CA PHE A 51 -8.487 2.189 3.117 1.00 0.00 C ATOM 850 C PHE A 51 -9.076 2.090 1.713 1.00 0.00 C ATOM 851 O PHE A 51 -8.670 2.816 0.805 1.00 0.00 O ATOM 852 CB PHE A 51 -9.108 3.375 3.860 1.00 0.00 C ATOM 853 CG PHE A 51 -8.627 3.513 5.276 1.00 0.00 C ATOM 854 CD1 PHE A 51 -7.386 4.064 5.550 1.00 0.00 C ATOM 855 CD2 PHE A 51 -9.417 3.092 6.334 1.00 0.00 C ATOM 856 CE1 PHE A 51 -6.941 4.193 6.852 1.00 0.00 C ATOM 857 CE2 PHE A 51 -8.977 3.218 7.638 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.737 3.769 7.897 1.00 0.00 C ATOM 0 H PHE A 51 -6.703 3.006 2.379 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.719 1.270 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.882 4.293 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.192 3.265 3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.759 4.397 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.387 2.661 6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.972 4.625 7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.602 2.886 8.454 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.391 3.868 8.915 1.00 0.00 H new ATOM 868 N VAL A 52 -10.034 1.185 1.542 1.00 0.00 N ATOM 869 CA VAL A 52 -10.680 0.990 0.249 1.00 0.00 C ATOM 870 C VAL A 52 -12.174 1.283 0.331 1.00 0.00 C ATOM 871 O VAL A 52 -12.841 0.891 1.287 1.00 0.00 O ATOM 872 CB VAL A 52 -10.477 -0.447 -0.268 1.00 0.00 C ATOM 873 CG1 VAL A 52 -11.154 -0.628 -1.618 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.995 -0.777 -0.356 1.00 0.00 C ATOM 0 H VAL A 52 -10.380 0.575 2.283 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.214 1.688 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.937 -1.138 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.000 -1.649 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.222 -0.436 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.725 0.070 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.870 -1.796 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.508 -0.083 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.543 -0.689 0.632 1.00 0.00 H new ATOM 884 N GLU A 53 -12.691 1.976 -0.679 1.00 0.00 N ATOM 885 CA GLU A 53 -14.107 2.322 -0.720 1.00 0.00 C ATOM 886 C GLU A 53 -14.863 1.408 -1.681 1.00 0.00 C ATOM 887 O GLU A 53 -14.597 1.397 -2.884 1.00 0.00 O ATOM 888 CB GLU A 53 -14.286 3.782 -1.141 1.00 0.00 C ATOM 889 CG GLU A 53 -15.645 4.357 -0.779 1.00 0.00 C ATOM 890 CD GLU A 53 -15.724 5.854 -1.008 1.00 0.00 C ATOM 891 OE1 GLU A 53 -15.040 6.602 -0.279 1.00 0.00 O ATOM 892 OE2 GLU A 53 -16.471 6.278 -1.915 1.00 0.00 O ATOM 0 H GLU A 53 -12.151 2.308 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.517 2.187 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.509 4.385 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.143 3.861 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.415 3.861 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.860 4.141 0.268 1.00 0.00 H new ATOM 899 N PHE A 54 -15.805 0.642 -1.142 1.00 0.00 N ATOM 900 CA PHE A 54 -16.599 -0.277 -1.951 1.00 0.00 C ATOM 901 C PHE A 54 -17.837 0.420 -2.508 1.00 0.00 C ATOM 902 O PHE A 54 -18.309 1.409 -1.948 1.00 0.00 O ATOM 903 CB PHE A 54 -17.014 -1.493 -1.120 1.00 0.00 C ATOM 904 CG PHE A 54 -15.930 -2.524 -0.983 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.623 -2.144 -0.723 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.218 -3.872 -1.115 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.624 -3.090 -0.596 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.223 -4.823 -0.989 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.924 -4.431 -0.730 1.00 0.00 C ATOM 0 H PHE A 54 -16.038 0.639 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.984 -0.610 -2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.314 -1.159 -0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.888 -1.955 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.382 -1.096 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.232 -4.184 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.609 -2.781 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.461 -5.871 -1.093 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.144 -5.172 -0.633 1.00 0.00 H new ATOM 919 N GLU A 55 -18.356 -0.105 -3.613 1.00 0.00 N ATOM 920 CA GLU A 55 -19.539 0.467 -4.247 1.00 0.00 C ATOM 921 C GLU A 55 -20.777 0.256 -3.379 1.00 0.00 C ATOM 922 O GLU A 55 -21.744 1.013 -3.464 1.00 0.00 O ATOM 923 CB GLU A 55 -19.757 -0.156 -5.627 1.00 0.00 C ATOM 924 CG GLU A 55 -20.855 0.518 -6.432 1.00 0.00 C ATOM 925 CD GLU A 55 -21.313 -0.320 -7.610 1.00 0.00 C ATOM 926 OE1 GLU A 55 -20.444 -0.835 -8.345 1.00 0.00 O ATOM 927 OE2 GLU A 55 -22.539 -0.462 -7.797 1.00 0.00 O ATOM 0 H GLU A 55 -17.977 -0.924 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.376 1.539 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.824 -0.108 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.003 -1.211 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.706 0.719 -5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.496 1.481 -6.794 1.00 0.00 H new ATOM 934 N LEU A 56 -20.739 -0.779 -2.547 1.00 0.00 N ATOM 935 CA LEU A 56 -21.857 -1.091 -1.664 1.00 0.00 C ATOM 936 C LEU A 56 -21.359 -1.579 -0.307 1.00 0.00 C ATOM 937 O LEU A 56 -20.158 -1.748 -0.099 1.00 0.00 O ATOM 938 CB LEU A 56 -22.755 -2.152 -2.302 1.00 0.00 C ATOM 939 CG LEU A 56 -23.348 -1.797 -3.666 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.975 -3.024 -4.311 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.375 -0.682 -3.527 1.00 0.00 C ATOM 0 H LEU A 56 -19.947 -1.416 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.434 -0.179 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.179 -3.072 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.575 -2.366 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.543 -1.444 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.392 -2.752 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.214 -3.793 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.769 -3.407 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.787 -0.442 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.178 -1.007 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.897 0.203 -3.108 1.00 0.00 H new ATOM 953 N ALA A 57 -22.291 -1.805 0.613 1.00 0.00 N ATOM 954 CA ALA A 57 -21.948 -2.278 1.948 1.00 0.00 C ATOM 955 C ALA A 57 -21.838 -3.799 1.981 1.00 0.00 C ATOM 956 O ALA A 57 -20.933 -4.351 2.606 1.00 0.00 O ATOM 957 CB ALA A 57 -22.980 -1.800 2.959 1.00 0.00 C ATOM 0 H ALA A 57 -23.290 -1.668 0.458 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.976 -1.864 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.711 -2.161 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.007 -0.710 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -23.962 -2.186 2.687 1.00 0.00 H new ATOM 963 N GLU A 58 -22.764 -4.469 1.304 1.00 0.00 N ATOM 964 CA GLU A 58 -22.771 -5.927 1.258 1.00 0.00 C ATOM 965 C GLU A 58 -21.446 -6.460 0.720 1.00 0.00 C ATOM 966 O GLU A 58 -20.828 -7.338 1.321 1.00 0.00 O ATOM 967 CB GLU A 58 -23.925 -6.427 0.387 1.00 0.00 C ATOM 968 CG GLU A 58 -23.909 -5.867 -1.025 1.00 0.00 C ATOM 969 CD GLU A 58 -25.190 -6.157 -1.783 1.00 0.00 C ATOM 970 OE1 GLU A 58 -26.267 -5.738 -1.309 1.00 0.00 O ATOM 971 OE2 GLU A 58 -25.117 -6.803 -2.849 1.00 0.00 O ATOM 0 H GLU A 58 -23.519 -4.027 0.780 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.906 -6.296 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.887 -7.515 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -24.869 -6.163 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -23.753 -4.789 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -23.065 -6.290 -1.570 1.00 0.00 H new ATOM 978 N ASP A 59 -21.017 -5.922 -0.417 1.00 0.00 N ATOM 979 CA ASP A 59 -19.765 -6.343 -1.036 1.00 0.00 C ATOM 980 C ASP A 59 -18.593 -6.147 -0.080 1.00 0.00 C ATOM 981 O ASP A 59 -17.673 -6.963 -0.036 1.00 0.00 O ATOM 982 CB ASP A 59 -19.523 -5.559 -2.327 1.00 0.00 C ATOM 983 CG ASP A 59 -20.130 -6.238 -3.539 1.00 0.00 C ATOM 984 OD1 ASP A 59 -19.568 -7.258 -3.992 1.00 0.00 O ATOM 985 OD2 ASP A 59 -21.167 -5.751 -4.034 1.00 0.00 O ATOM 0 H ASP A 59 -21.517 -5.195 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.843 -7.404 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.944 -4.559 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.451 -5.439 -2.480 1.00 0.00 H new ATOM 990 N ALA A 60 -18.633 -5.060 0.683 1.00 0.00 N ATOM 991 CA ALA A 60 -17.575 -4.758 1.639 1.00 0.00 C ATOM 992 C ALA A 60 -17.465 -5.848 2.699 1.00 0.00 C ATOM 993 O ALA A 60 -16.387 -6.392 2.935 1.00 0.00 O ATOM 994 CB ALA A 60 -17.823 -3.406 2.292 1.00 0.00 C ATOM 0 H ALA A 60 -19.387 -4.374 0.658 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.630 -4.719 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.025 -3.194 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.842 -2.630 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.779 -3.424 2.814 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.589 -6.162 3.336 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.619 -7.188 4.371 1.00 0.00 C ATOM 1002 C ALA A 61 -18.039 -8.502 3.858 1.00 0.00 C ATOM 1003 O ALA A 61 -17.276 -9.169 4.556 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.042 -7.396 4.868 1.00 0.00 C ATOM 0 H ALA A 61 -19.490 -5.721 3.153 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.002 -6.848 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.049 -8.165 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.423 -6.462 5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.675 -7.710 4.038 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.407 -8.869 2.635 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.922 -10.102 2.029 1.00 0.00 C ATOM 1012 C ALA A 62 -16.404 -10.085 1.888 1.00 0.00 C ATOM 1013 O ALA A 62 -15.735 -11.083 2.155 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.577 -10.317 0.672 1.00 0.00 C ATOM 0 H ALA A 62 -19.040 -8.329 2.044 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.191 -10.930 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.205 -11.242 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.658 -10.383 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.338 -9.480 0.016 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.866 -8.945 1.466 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.427 -8.798 1.291 1.00 0.00 C ATOM 1022 C ALA A 63 -13.689 -9.014 2.608 1.00 0.00 C ATOM 1023 O ALA A 63 -12.608 -9.603 2.635 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.102 -7.426 0.720 1.00 0.00 C ATOM 0 H ALA A 63 -16.406 -8.110 1.239 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.092 -9.560 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.023 -7.330 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.592 -7.309 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.458 -6.654 1.403 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.279 -8.532 3.697 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.677 -8.673 5.017 1.00 0.00 C ATOM 1032 C ILE A 64 -13.629 -10.136 5.446 1.00 0.00 C ATOM 1033 O ILE A 64 -12.565 -10.663 5.771 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.448 -7.865 6.077 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.430 -6.375 5.726 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.853 -8.097 7.457 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.311 -5.533 6.622 1.00 0.00 C ATOM 0 H ILE A 64 -15.173 -8.041 3.691 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.661 -8.284 4.943 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.484 -8.204 6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.406 -6.008 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.751 -6.250 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.409 -7.519 8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.913 -9.157 7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.809 -7.782 7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.249 -4.489 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.343 -5.874 6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.976 -5.628 7.655 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.787 -10.786 5.442 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.877 -12.190 5.828 1.00 0.00 C ATOM 1051 C ASP A 65 -13.942 -13.047 4.980 1.00 0.00 C ATOM 1052 O ASP A 65 -13.673 -14.201 5.311 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.315 -12.689 5.686 1.00 0.00 C ATOM 1054 CG ASP A 65 -17.171 -12.339 6.888 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -16.647 -12.381 8.020 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -18.364 -12.025 6.696 1.00 0.00 O ATOM 0 H ASP A 65 -15.677 -10.364 5.176 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.573 -12.275 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.759 -12.257 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.309 -13.770 5.550 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.451 -12.475 3.886 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.548 -13.187 2.990 1.00 0.00 C ATOM 1063 C ASN A 66 -11.110 -12.713 3.177 1.00 0.00 C ATOM 1064 O ASN A 66 -10.281 -13.422 3.747 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.977 -12.988 1.535 1.00 0.00 C ATOM 1066 CG ASN A 66 -14.234 -13.763 1.191 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -15.316 -13.483 1.909 1.00 0.00 O flip ATOM 1068 ND2 ASN A 66 -14.232 -14.604 0.292 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.663 -11.520 3.598 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.597 -14.248 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.146 -11.927 1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -12.168 -13.301 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.377 -14.786 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.085 -15.118 0.073 1.00 0.00 H new ATOM 1075 N MET A 67 -10.822 -11.509 2.694 1.00 0.00 N ATOM 1076 CA MET A 67 -9.485 -10.939 2.811 1.00 0.00 C ATOM 1077 C MET A 67 -8.948 -11.096 4.230 1.00 0.00 C ATOM 1078 O MET A 67 -7.754 -11.315 4.431 1.00 0.00 O ATOM 1079 CB MET A 67 -9.502 -9.460 2.420 1.00 0.00 C ATOM 1080 CG MET A 67 -10.021 -9.208 1.014 1.00 0.00 C ATOM 1081 SD MET A 67 -9.131 -10.156 -0.235 1.00 0.00 S ATOM 1082 CE MET A 67 -7.434 -9.817 0.227 1.00 0.00 C ATOM 0 H MET A 67 -11.496 -10.909 2.218 1.00 0.00 H new ATOM 0 HA MET A 67 -8.826 -11.480 2.131 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.121 -8.912 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.492 -9.059 2.503 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.080 -9.462 0.971 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.938 -8.145 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.879 -9.481 -0.649 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.413 -9.039 0.991 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.976 -10.724 0.621 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.838 -10.984 5.210 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.453 -11.113 6.611 1.00 0.00 C ATOM 1094 C ASN A 68 -8.426 -12.226 6.792 1.00 0.00 C ATOM 1095 O ASN A 68 -8.715 -13.396 6.544 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.683 -11.392 7.476 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.315 -11.846 8.875 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -9.981 -13.124 9.014 1.00 0.00 O flip ATOM 1099 ND2 ASN A 68 -10.331 -11.057 9.820 1.00 0.00 N flip ATOM 0 H ASN A 68 -10.831 -10.804 5.060 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.002 -10.172 6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.292 -10.490 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.294 -12.157 6.998 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.594 -10.083 9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.081 -11.377 10.756 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.226 -11.853 7.227 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.157 -12.821 7.441 1.00 0.00 C ATOM 1108 C GLU A 69 -5.808 -13.542 6.142 1.00 0.00 C ATOM 1109 O GLU A 69 -5.602 -14.755 6.130 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.566 -13.839 8.508 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.866 -13.215 9.861 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.602 -14.161 10.789 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -7.458 -15.390 10.619 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -8.322 -13.674 11.686 1.00 0.00 O ATOM 0 H GLU A 69 -6.970 -10.888 7.438 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.275 -12.280 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.447 -14.380 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.767 -14.572 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.932 -12.906 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.464 -12.315 9.717 1.00 0.00 H new ATOM 1121 N SER A 70 -5.743 -12.786 5.051 1.00 0.00 N ATOM 1122 CA SER A 70 -5.423 -13.352 3.746 1.00 0.00 C ATOM 1123 C SER A 70 -3.920 -13.309 3.489 1.00 0.00 C ATOM 1124 O SER A 70 -3.143 -12.908 4.355 1.00 0.00 O ATOM 1125 CB SER A 70 -6.163 -12.594 2.643 1.00 0.00 C ATOM 1126 OG SER A 70 -5.854 -11.212 2.677 1.00 0.00 O ATOM 0 H SER A 70 -5.908 -11.779 5.045 1.00 0.00 H new ATOM 0 HA SER A 70 -5.745 -14.393 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.893 -13.006 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.238 -12.732 2.761 1.00 0.00 H new ATOM 0 HG SER A 70 -6.425 -10.765 3.336 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.519 -13.724 2.292 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.109 -13.733 1.920 1.00 0.00 C ATOM 1134 C GLU A 71 -1.860 -12.843 0.707 1.00 0.00 C ATOM 1135 O GLU A 71 -2.291 -13.153 -0.405 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.647 -15.161 1.622 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.157 -15.274 1.346 1.00 0.00 C ATOM 1138 CD GLU A 71 0.307 -16.712 1.221 1.00 0.00 C ATOM 1139 OE1 GLU A 71 0.113 -17.307 0.140 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.863 -17.243 2.205 1.00 0.00 O ATOM 0 H GLU A 71 -4.150 -14.058 1.564 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.536 -13.341 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.901 -15.800 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.197 -15.539 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.080 -14.739 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.395 -14.787 2.150 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.163 -11.734 0.927 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.856 -10.796 -0.147 1.00 0.00 C ATOM 1149 C LEU A 72 0.642 -10.515 -0.214 1.00 0.00 C ATOM 1150 O LEU A 72 1.244 -10.067 0.763 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.624 -9.489 0.055 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.341 -8.380 -0.959 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -1.974 -8.711 -2.302 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -1.850 -7.042 -0.443 1.00 0.00 C ATOM 0 H LEU A 72 -0.799 -11.462 1.840 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.164 -11.248 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.691 -9.711 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.399 -9.109 1.051 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.262 -8.307 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.762 -7.911 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.562 -9.647 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.052 -8.812 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.640 -6.265 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.925 -7.102 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.350 -6.800 0.495 1.00 0.00 H new ATOM 1166 N PHE A 73 1.237 -10.778 -1.372 1.00 0.00 N ATOM 1167 CA PHE A 73 2.665 -10.552 -1.566 1.00 0.00 C ATOM 1168 C PHE A 73 3.483 -11.324 -0.536 1.00 0.00 C ATOM 1169 O PHE A 73 4.513 -10.847 -0.060 1.00 0.00 O ATOM 1170 CB PHE A 73 2.984 -9.058 -1.472 1.00 0.00 C ATOM 1171 CG PHE A 73 2.659 -8.296 -2.725 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.837 -8.847 -3.694 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.177 -7.028 -2.934 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.536 -8.148 -4.848 1.00 0.00 C ATOM 1175 CE2 PHE A 73 2.880 -6.324 -4.085 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.059 -6.885 -5.044 1.00 0.00 C ATOM 0 H PHE A 73 0.753 -11.148 -2.190 1.00 0.00 H new ATOM 0 HA PHE A 73 2.932 -10.912 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.427 -8.627 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.043 -8.934 -1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.426 -9.835 -3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.820 -6.585 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.893 -8.589 -5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.289 -5.336 -4.235 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.827 -6.337 -5.945 1.00 0.00 H new ATOM 1186 N GLY A 74 3.016 -12.521 -0.194 1.00 0.00 N ATOM 1187 CA GLY A 74 3.715 -13.341 0.778 1.00 0.00 C ATOM 1188 C GLY A 74 3.638 -12.770 2.180 1.00 0.00 C ATOM 1189 O GLY A 74 4.558 -12.944 2.980 1.00 0.00 O ATOM 0 H GLY A 74 2.166 -12.938 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.291 -14.345 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.760 -13.436 0.484 1.00 0.00 H new ATOM 1193 N ARG A 75 2.540 -12.084 2.479 1.00 0.00 N ATOM 1194 CA ARG A 75 2.348 -11.483 3.793 1.00 0.00 C ATOM 1195 C ARG A 75 0.899 -11.626 4.250 1.00 0.00 C ATOM 1196 O ARG A 75 -0.017 -11.705 3.432 1.00 0.00 O ATOM 1197 CB ARG A 75 2.740 -10.005 3.763 1.00 0.00 C ATOM 1198 CG ARG A 75 4.184 -9.766 3.351 1.00 0.00 C ATOM 1199 CD ARG A 75 4.480 -8.283 3.194 1.00 0.00 C ATOM 1200 NE ARG A 75 5.873 -8.039 2.827 1.00 0.00 N ATOM 1201 CZ ARG A 75 6.878 -8.076 3.694 1.00 0.00 C ATOM 1202 NH1 ARG A 75 6.647 -8.346 4.971 1.00 0.00 N ATOM 1203 NH2 ARG A 75 8.119 -7.843 3.284 1.00 0.00 N ATOM 0 H ARG A 75 1.769 -11.931 1.829 1.00 0.00 H new ATOM 0 HA ARG A 75 2.988 -12.008 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.082 -9.477 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.577 -9.574 4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.852 -10.194 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.385 -10.280 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.825 -7.861 2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.255 -7.768 4.128 1.00 0.00 H new ATOM 0 HE ARG A 75 6.085 -7.829 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.695 -8.526 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.421 -8.374 5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.301 -7.635 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.890 -7.872 3.951 1.00 0.00 H new ATOM 1217 N THR A 76 0.700 -11.660 5.564 1.00 0.00 N ATOM 1218 CA THR A 76 -0.636 -11.796 6.131 1.00 0.00 C ATOM 1219 C THR A 76 -1.223 -10.435 6.489 1.00 0.00 C ATOM 1220 O THR A 76 -0.896 -9.863 7.530 1.00 0.00 O ATOM 1221 CB THR A 76 -0.625 -12.684 7.389 1.00 0.00 C ATOM 1222 OG1 THR A 76 0.122 -13.880 7.138 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.042 -13.045 7.809 1.00 0.00 C ATOM 0 H THR A 76 1.447 -11.595 6.255 1.00 0.00 H new ATOM 0 HA THR A 76 -1.256 -12.267 5.368 1.00 0.00 H new ATOM 0 HB THR A 76 -0.154 -12.124 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.126 -14.438 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.009 -13.673 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.600 -12.134 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.534 -13.587 7.001 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.089 -9.922 5.622 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.722 -8.629 5.849 1.00 0.00 C ATOM 1233 C ILE A 77 -3.994 -8.777 6.676 1.00 0.00 C ATOM 1234 O ILE A 77 -4.545 -9.872 6.796 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.065 -7.930 4.520 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.007 -8.802 3.688 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.796 -7.619 3.742 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.758 -8.035 2.622 1.00 0.00 C ATOM 0 H ILE A 77 -2.368 -10.382 4.756 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.005 -8.018 6.397 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.571 -6.990 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.430 -9.596 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.725 -9.283 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.055 -7.125 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.158 -6.963 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.264 -8.546 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.406 -8.717 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.362 -7.258 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.047 -7.577 1.935 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.457 -7.668 7.244 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.665 -7.674 8.059 1.00 0.00 C ATOM 1252 C ARG A 78 -6.731 -6.763 7.458 1.00 0.00 C ATOM 1253 O ARG A 78 -6.457 -5.614 7.110 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.344 -7.229 9.487 1.00 0.00 C ATOM 1255 CG ARG A 78 -4.963 -8.374 10.411 1.00 0.00 C ATOM 1256 CD ARG A 78 -6.184 -8.962 11.102 1.00 0.00 C ATOM 1257 NE ARG A 78 -6.496 -8.267 12.348 1.00 0.00 N ATOM 1258 CZ ARG A 78 -5.809 -8.430 13.472 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -4.775 -9.260 13.507 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -6.154 -7.762 14.565 1.00 0.00 N ATOM 0 H ARG A 78 -4.013 -6.754 7.154 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.053 -8.692 8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.526 -6.509 9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.210 -6.712 9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.457 -9.152 9.839 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.255 -8.019 11.160 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.042 -8.907 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.010 -10.018 11.310 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.285 -7.621 12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.506 -9.775 12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.249 -9.383 14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.948 -7.122 14.542 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.625 -7.888 15.428 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.949 -7.283 7.339 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.056 -6.517 6.781 1.00 0.00 C ATOM 1276 C VAL A 79 -10.205 -6.407 7.777 1.00 0.00 C ATOM 1277 O VAL A 79 -10.670 -7.409 8.317 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.579 -7.153 5.480 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.496 -6.188 4.744 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.420 -7.581 4.593 1.00 0.00 C ATOM 0 H VAL A 79 -8.193 -8.232 7.622 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.672 -5.521 6.561 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.157 -8.041 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.856 -6.655 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.345 -5.936 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.946 -5.280 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.808 -8.028 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.813 -6.711 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.807 -8.311 5.122 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.659 -5.180 8.015 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.754 -4.938 8.947 1.00 0.00 C ATOM 1292 C ASN A 80 -12.352 -3.550 8.735 1.00 0.00 C ATOM 1293 O ASN A 80 -11.744 -2.691 8.095 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.265 -5.079 10.390 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.406 -5.090 11.389 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -13.424 -5.750 11.178 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -12.240 -4.358 12.484 1.00 0.00 N ATOM 0 H ASN A 80 -10.285 -4.339 7.575 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.529 -5.681 8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.691 -6.001 10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.589 -4.256 10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.973 -4.327 13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.379 -3.827 12.617 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.547 -3.338 9.276 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.228 -2.054 9.147 1.00 0.00 C ATOM 1306 C LEU A 81 -13.306 -0.907 9.546 1.00 0.00 C ATOM 1307 O LEU A 81 -12.612 -0.978 10.559 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.489 -2.035 10.012 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.705 -2.767 9.443 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.950 -2.447 10.256 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -16.912 -2.399 7.981 1.00 0.00 C ATOM 0 H LEU A 81 -14.064 -4.038 9.808 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.510 -1.922 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.247 -2.472 10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -15.767 -0.996 10.191 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.521 -3.840 9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.805 -2.977 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.800 -2.761 11.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.138 -1.374 10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.781 -2.929 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.074 -1.324 7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.029 -2.680 7.407 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.306 0.152 8.742 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.473 1.317 9.014 1.00 0.00 C ATOM 1325 C ALA A 82 -12.572 1.733 10.477 1.00 0.00 C ATOM 1326 O ALA A 82 -13.554 2.347 10.895 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.871 2.473 8.107 1.00 0.00 C ATOM 0 H ALA A 82 -13.873 0.227 7.898 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.437 1.048 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.241 3.337 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.743 2.179 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.915 2.732 8.285 1.00 0.00 H new