USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 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 -118:sc= -1.26 (180deg=-6.48!) USER MOD Set 1.2: A 70 SER OG : rot -87:sc= 0.489 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= -3.39! C(o=-3.4!,f=-4.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.956 F(o=-4.7!,f=-0.96) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -177:sc= -0.807 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-9!) USER MOD Single : A 66 ASN : amide:sc= 1.18 K(o=1.2,f=-0.11) USER MOD Single : A 68 ASN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.32 K(o=-2.3,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -19.152 1.279 4.267 1.00 0.00 N ATOM 144 CA ARG A 6 -18.639 1.262 2.903 1.00 0.00 C ATOM 145 C ARG A 6 -17.145 1.571 2.879 1.00 0.00 C ATOM 146 O ARG A 6 -16.650 2.222 1.959 1.00 0.00 O ATOM 147 CB ARG A 6 -19.394 2.275 2.039 1.00 0.00 C ATOM 148 CG ARG A 6 -20.887 2.003 1.947 1.00 0.00 C ATOM 149 CD ARG A 6 -21.631 3.183 1.342 1.00 0.00 C ATOM 150 NE ARG A 6 -23.042 2.881 1.112 1.00 0.00 N ATOM 151 CZ ARG A 6 -23.893 3.731 0.548 1.00 0.00 C ATOM 152 NH1 ARG A 6 -23.479 4.928 0.159 1.00 0.00 N ATOM 153 NH2 ARG A 6 -25.161 3.383 0.373 1.00 0.00 N ATOM 0 HA ARG A 6 -18.792 0.262 2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -19.240 3.274 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.970 2.271 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.059 1.113 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.282 1.793 2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.548 4.043 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -21.162 3.462 0.399 1.00 0.00 H new ATOM 0 HE ARG A 6 -23.393 1.968 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.505 5.199 0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -24.135 5.579 -0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -25.483 2.462 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -25.814 4.036 -0.060 1.00 0.00 H new ATOM 167 N VAL A 7 -16.433 1.101 3.898 1.00 0.00 N ATOM 168 CA VAL A 7 -14.995 1.327 3.994 1.00 0.00 C ATOM 169 C VAL A 7 -14.312 0.196 4.754 1.00 0.00 C ATOM 170 O VAL A 7 -14.668 -0.105 5.894 1.00 0.00 O ATOM 171 CB VAL A 7 -14.683 2.663 4.693 1.00 0.00 C ATOM 172 CG1 VAL A 7 -13.183 2.920 4.707 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.421 3.806 4.012 1.00 0.00 C ATOM 0 H VAL A 7 -16.828 0.562 4.669 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.610 1.361 2.975 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.028 2.602 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.981 3.868 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.681 2.115 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.811 2.961 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.189 4.742 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.109 3.871 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.495 3.625 4.059 1.00 0.00 H new ATOM 183 N LEU A 8 -13.326 -0.427 4.117 1.00 0.00 N ATOM 184 CA LEU A 8 -12.590 -1.525 4.733 1.00 0.00 C ATOM 185 C LEU A 8 -11.177 -1.092 5.107 1.00 0.00 C ATOM 186 O LEU A 8 -10.530 -0.347 4.371 1.00 0.00 O ATOM 187 CB LEU A 8 -12.534 -2.724 3.784 1.00 0.00 C ATOM 188 CG LEU A 8 -13.852 -3.108 3.110 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.683 -4.382 2.296 1.00 0.00 C ATOM 190 CD2 LEU A 8 -14.952 -3.278 4.148 1.00 0.00 C ATOM 0 H LEU A 8 -13.018 -0.190 3.174 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.114 -1.814 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.799 -2.513 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.169 -3.587 4.342 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.140 -2.304 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.631 -4.640 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.925 -4.225 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.372 -5.195 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.883 -3.551 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.672 -4.063 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.091 -2.341 4.688 1.00 0.00 H new ATOM 202 N TYR A 9 -10.703 -1.564 6.255 1.00 0.00 N ATOM 203 CA TYR A 9 -9.366 -1.225 6.727 1.00 0.00 C ATOM 204 C TYR A 9 -8.404 -2.392 6.524 1.00 0.00 C ATOM 205 O TYR A 9 -8.663 -3.509 6.970 1.00 0.00 O ATOM 206 CB TYR A 9 -9.407 -0.835 8.205 1.00 0.00 C ATOM 207 CG TYR A 9 -8.070 -0.951 8.900 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.564 -2.190 9.275 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.310 0.178 9.181 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.343 -2.300 9.911 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.087 0.077 9.815 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.608 -1.164 10.179 1.00 0.00 C ATOM 213 OH TYR A 9 -4.390 -1.270 10.810 1.00 0.00 O ATOM 0 H TYR A 9 -11.225 -2.182 6.876 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.008 -0.376 6.144 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.764 0.191 8.291 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.130 -1.468 8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.135 -3.082 9.065 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.682 1.152 8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.966 -3.271 10.197 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.509 0.965 10.025 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.001 -0.377 10.923 1.00 0.00 H new ATOM 223 N VAL A 10 -7.292 -2.123 5.848 1.00 0.00 N ATOM 224 CA VAL A 10 -6.289 -3.148 5.586 1.00 0.00 C ATOM 225 C VAL A 10 -5.010 -2.880 6.372 1.00 0.00 C ATOM 226 O VAL A 10 -4.460 -1.781 6.324 1.00 0.00 O ATOM 227 CB VAL A 10 -5.949 -3.232 4.086 1.00 0.00 C ATOM 228 CG1 VAL A 10 -4.882 -4.287 3.838 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.201 -3.525 3.272 1.00 0.00 C ATOM 0 H VAL A 10 -7.063 -1.203 5.472 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.717 -4.098 5.907 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.553 -2.268 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.655 -4.332 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.979 -4.028 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.246 -5.258 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.943 -3.581 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.629 -4.475 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.930 -2.729 3.426 1.00 0.00 H new ATOM 239 N GLY A 11 -4.542 -3.893 7.094 1.00 0.00 N ATOM 240 CA GLY A 11 -3.331 -3.746 7.880 1.00 0.00 C ATOM 241 C GLY A 11 -2.350 -4.880 7.651 1.00 0.00 C ATOM 242 O GLY A 11 -2.751 -6.016 7.403 1.00 0.00 O ATOM 0 H GLY A 11 -4.980 -4.813 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.852 -2.799 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.591 -3.702 8.938 1.00 0.00 H new ATOM 246 N GLY A 12 -1.060 -4.569 7.732 1.00 0.00 N ATOM 247 CA GLY A 12 -0.040 -5.580 7.527 1.00 0.00 C ATOM 248 C GLY A 12 0.449 -5.629 6.092 1.00 0.00 C ATOM 249 O GLY A 12 1.076 -6.604 5.675 1.00 0.00 O ATOM 0 H GLY A 12 -0.703 -3.635 7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.803 -5.380 8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.439 -6.556 7.805 1.00 0.00 H new ATOM 253 N LEU A 13 0.160 -4.577 5.335 1.00 0.00 N ATOM 254 CA LEU A 13 0.573 -4.504 3.938 1.00 0.00 C ATOM 255 C LEU A 13 2.092 -4.555 3.815 1.00 0.00 C ATOM 256 O LEU A 13 2.808 -4.480 4.813 1.00 0.00 O ATOM 257 CB LEU A 13 0.041 -3.221 3.295 1.00 0.00 C ATOM 258 CG LEU A 13 -1.480 -3.096 3.205 1.00 0.00 C ATOM 259 CD1 LEU A 13 -1.876 -1.689 2.787 1.00 0.00 C ATOM 260 CD2 LEU A 13 -2.044 -4.122 2.233 1.00 0.00 C ATOM 0 H LEU A 13 -0.359 -3.763 5.665 1.00 0.00 H new ATOM 0 HA LEU A 13 0.156 -5.365 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.423 -2.370 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.452 -3.146 2.288 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.900 -3.292 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.962 -1.619 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.505 -0.973 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.445 -1.464 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.128 -4.018 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.617 -3.959 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.792 -5.125 2.576 1.00 0.00 H new ATOM 272 N ALA A 14 2.577 -4.683 2.584 1.00 0.00 N ATOM 273 CA ALA A 14 4.011 -4.740 2.331 1.00 0.00 C ATOM 274 C ALA A 14 4.544 -3.384 1.879 1.00 0.00 C ATOM 275 O ALA A 14 3.815 -2.393 1.871 1.00 0.00 O ATOM 276 CB ALA A 14 4.321 -5.804 1.288 1.00 0.00 C ATOM 0 H ALA A 14 1.998 -4.749 1.747 1.00 0.00 H new ATOM 0 HA ALA A 14 4.509 -5.004 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.396 -5.836 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.985 -6.776 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.805 -5.563 0.358 1.00 0.00 H new ATOM 282 N GLU A 15 5.819 -3.349 1.506 1.00 0.00 N ATOM 283 CA GLU A 15 6.448 -2.113 1.055 1.00 0.00 C ATOM 284 C GLU A 15 6.165 -1.866 -0.424 1.00 0.00 C ATOM 285 O GLU A 15 6.278 -0.741 -0.908 1.00 0.00 O ATOM 286 CB GLU A 15 7.959 -2.167 1.294 1.00 0.00 C ATOM 287 CG GLU A 15 8.768 -1.432 0.240 1.00 0.00 C ATOM 288 CD GLU A 15 10.188 -1.145 0.689 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.358 -0.478 1.731 1.00 0.00 O ATOM 290 OE2 GLU A 15 11.129 -1.589 -0.001 1.00 0.00 O ATOM 0 H GLU A 15 6.436 -4.161 1.507 1.00 0.00 H new ATOM 0 HA GLU A 15 6.025 -1.290 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.179 -1.740 2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.277 -3.209 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.793 -2.026 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.271 -0.493 -0.004 1.00 0.00 H new ATOM 297 N GLU A 16 5.797 -2.928 -1.135 1.00 0.00 N ATOM 298 CA GLU A 16 5.499 -2.826 -2.559 1.00 0.00 C ATOM 299 C GLU A 16 3.993 -2.827 -2.801 1.00 0.00 C ATOM 300 O GLU A 16 3.525 -3.207 -3.875 1.00 0.00 O ATOM 301 CB GLU A 16 6.151 -3.981 -3.322 1.00 0.00 C ATOM 302 CG GLU A 16 7.574 -3.691 -3.767 1.00 0.00 C ATOM 303 CD GLU A 16 8.288 -4.926 -4.282 1.00 0.00 C ATOM 304 OE1 GLU A 16 8.239 -5.969 -3.597 1.00 0.00 O ATOM 305 OE2 GLU A 16 8.895 -4.849 -5.371 1.00 0.00 O ATOM 0 H GLU A 16 5.698 -3.867 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 16 5.907 -1.883 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.151 -4.869 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.546 -4.214 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.558 -2.932 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.135 -3.274 -2.930 1.00 0.00 H new ATOM 312 N VAL A 17 3.237 -2.401 -1.794 1.00 0.00 N ATOM 313 CA VAL A 17 1.784 -2.352 -1.896 1.00 0.00 C ATOM 314 C VAL A 17 1.277 -0.915 -1.840 1.00 0.00 C ATOM 315 O VAL A 17 1.693 -0.132 -0.985 1.00 0.00 O ATOM 316 CB VAL A 17 1.114 -3.165 -0.772 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.401 -3.091 -0.889 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.589 -4.610 -0.805 1.00 0.00 C ATOM 0 H VAL A 17 3.607 -2.085 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 17 1.520 -2.790 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 17 1.402 -2.733 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.857 -3.671 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.722 -2.052 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.712 -3.497 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.106 -5.170 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.332 -5.056 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.670 -4.641 -0.668 1.00 0.00 H new ATOM 328 N ASP A 18 0.377 -0.575 -2.755 1.00 0.00 N ATOM 329 CA ASP A 18 -0.189 0.768 -2.809 1.00 0.00 C ATOM 330 C ASP A 18 -1.639 0.729 -3.282 1.00 0.00 C ATOM 331 O ASP A 18 -2.181 -0.340 -3.565 1.00 0.00 O ATOM 332 CB ASP A 18 0.640 1.657 -3.739 1.00 0.00 C ATOM 333 CG ASP A 18 1.336 0.864 -4.828 1.00 0.00 C ATOM 334 OD1 ASP A 18 0.883 -0.260 -5.125 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.336 1.369 -5.381 1.00 0.00 O ATOM 0 H ASP A 18 0.023 -1.211 -3.470 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.165 1.186 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.008 2.405 -4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.385 2.196 -3.153 1.00 0.00 H new ATOM 340 N ASP A 19 -2.261 1.899 -3.364 1.00 0.00 N ATOM 341 CA ASP A 19 -3.648 1.999 -3.803 1.00 0.00 C ATOM 342 C ASP A 19 -3.860 1.243 -5.111 1.00 0.00 C ATOM 343 O ASP A 19 -4.930 0.683 -5.350 1.00 0.00 O ATOM 344 CB ASP A 19 -4.047 3.465 -3.976 1.00 0.00 C ATOM 345 CG ASP A 19 -3.033 4.249 -4.787 1.00 0.00 C ATOM 346 OD1 ASP A 19 -3.132 4.236 -6.031 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.140 4.873 -4.177 1.00 0.00 O ATOM 0 H ASP A 19 -1.827 2.792 -3.132 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.279 1.548 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.019 3.519 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.158 3.927 -2.995 1.00 0.00 H new ATOM 352 N LYS A 20 -2.834 1.232 -5.955 1.00 0.00 N ATOM 353 CA LYS A 20 -2.907 0.546 -7.239 1.00 0.00 C ATOM 354 C LYS A 20 -2.953 -0.967 -7.045 1.00 0.00 C ATOM 355 O LYS A 20 -3.782 -1.654 -7.642 1.00 0.00 O ATOM 356 CB LYS A 20 -1.707 0.922 -8.110 1.00 0.00 C ATOM 357 CG LYS A 20 -0.366 0.654 -7.448 1.00 0.00 C ATOM 358 CD LYS A 20 0.752 1.437 -8.116 1.00 0.00 C ATOM 359 CE LYS A 20 1.098 0.861 -9.481 1.00 0.00 C ATOM 360 NZ LYS A 20 1.980 1.773 -10.260 1.00 0.00 N ATOM 0 H LYS A 20 -1.941 1.691 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.824 0.859 -7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.759 0.364 -9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.772 1.980 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.420 0.923 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.143 -0.412 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.453 2.479 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.637 1.424 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.593 -0.102 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.181 0.677 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.193 1.345 -11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.498 2.683 -10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.866 1.929 -9.738 1.00 0.00 H new ATOM 374 N VAL A 21 -2.058 -1.479 -6.207 1.00 0.00 N ATOM 375 CA VAL A 21 -1.999 -2.910 -5.932 1.00 0.00 C ATOM 376 C VAL A 21 -3.275 -3.393 -5.253 1.00 0.00 C ATOM 377 O VAL A 21 -3.859 -4.403 -5.649 1.00 0.00 O ATOM 378 CB VAL A 21 -0.792 -3.261 -5.042 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.780 -4.748 -4.722 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.506 -2.842 -5.715 1.00 0.00 C ATOM 0 H VAL A 21 -1.364 -0.924 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.891 -3.412 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.882 -2.712 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.080 -4.978 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.697 -5.014 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.714 -5.319 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.348 -3.098 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.606 -3.362 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.495 -1.766 -5.888 1.00 0.00 H new ATOM 390 N LEU A 22 -3.705 -2.665 -4.228 1.00 0.00 N ATOM 391 CA LEU A 22 -4.914 -3.018 -3.493 1.00 0.00 C ATOM 392 C LEU A 22 -6.147 -2.902 -4.383 1.00 0.00 C ATOM 393 O LEU A 22 -7.064 -3.719 -4.302 1.00 0.00 O ATOM 394 CB LEU A 22 -5.071 -2.117 -2.267 1.00 0.00 C ATOM 395 CG LEU A 22 -4.215 -2.481 -1.052 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.206 -1.342 -0.045 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.723 -3.762 -0.407 1.00 0.00 C ATOM 0 H LEU A 22 -3.234 -1.827 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.820 -4.054 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.834 -1.094 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.118 -2.128 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.192 -2.648 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.592 -1.619 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.795 -0.447 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.225 -1.142 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.103 -4.006 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.755 -3.622 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.676 -4.577 -1.130 1.00 0.00 H new ATOM 409 N HIS A 23 -6.161 -1.882 -5.236 1.00 0.00 N ATOM 410 CA HIS A 23 -7.280 -1.661 -6.145 1.00 0.00 C ATOM 411 C HIS A 23 -7.503 -2.877 -7.039 1.00 0.00 C ATOM 412 O HIS A 23 -8.622 -3.376 -7.157 1.00 0.00 O ATOM 413 CB HIS A 23 -7.029 -0.421 -7.004 1.00 0.00 C ATOM 414 CG HIS A 23 -7.943 -0.317 -8.187 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.874 -1.171 -9.268 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.951 0.546 -8.454 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.800 -0.836 -10.149 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.467 0.202 -9.679 1.00 0.00 N ATOM 0 H HIS A 23 -5.410 -1.196 -5.316 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.177 -1.504 -5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.146 0.469 -6.386 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.996 -0.434 -7.353 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.287 1.354 -7.821 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.981 -1.328 -11.093 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.240 0.672 -10.150 1.00 0.00 H new ATOM 426 N ALA A 24 -6.431 -3.349 -7.666 1.00 0.00 N ATOM 427 CA ALA A 24 -6.509 -4.507 -8.548 1.00 0.00 C ATOM 428 C ALA A 24 -6.700 -5.792 -7.750 1.00 0.00 C ATOM 429 O ALA A 24 -7.143 -6.807 -8.287 1.00 0.00 O ATOM 430 CB ALA A 24 -5.259 -4.599 -9.410 1.00 0.00 C ATOM 0 H ALA A 24 -5.498 -2.947 -7.580 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.376 -4.381 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.331 -5.468 -10.064 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.167 -3.697 -10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.382 -4.698 -8.770 1.00 0.00 H new ATOM 436 N ALA A 25 -6.364 -5.741 -6.466 1.00 0.00 N ATOM 437 CA ALA A 25 -6.500 -6.902 -5.594 1.00 0.00 C ATOM 438 C ALA A 25 -7.904 -6.984 -5.005 1.00 0.00 C ATOM 439 O ALA A 25 -8.313 -8.026 -4.493 1.00 0.00 O ATOM 440 CB ALA A 25 -5.462 -6.852 -4.482 1.00 0.00 C ATOM 0 H ALA A 25 -5.996 -4.909 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.332 -7.797 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.575 -7.725 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.463 -6.849 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.604 -5.946 -3.893 1.00 0.00 H new ATOM 446 N PHE A 26 -8.639 -5.880 -5.082 1.00 0.00 N ATOM 447 CA PHE A 26 -9.998 -5.827 -4.555 1.00 0.00 C ATOM 448 C PHE A 26 -11.001 -5.534 -5.667 1.00 0.00 C ATOM 449 O PHE A 26 -12.205 -5.443 -5.423 1.00 0.00 O ATOM 450 CB PHE A 26 -10.103 -4.760 -3.464 1.00 0.00 C ATOM 451 CG PHE A 26 -9.414 -5.140 -2.185 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.089 -5.544 -2.189 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.093 -5.095 -0.977 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.452 -5.895 -1.014 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.461 -5.444 0.201 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.139 -5.846 0.183 1.00 0.00 C ATOM 0 H PHE A 26 -8.317 -5.009 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.233 -6.801 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.675 -3.829 -3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.155 -4.566 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.547 -5.585 -3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.127 -4.784 -0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.418 -6.207 -1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.000 -5.403 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.644 -6.121 1.103 1.00 0.00 H new ATOM 466 N ILE A 27 -10.497 -5.388 -6.887 1.00 0.00 N ATOM 467 CA ILE A 27 -11.348 -5.106 -8.037 1.00 0.00 C ATOM 468 C ILE A 27 -12.376 -6.213 -8.244 1.00 0.00 C ATOM 469 O ILE A 27 -13.492 -5.980 -8.708 1.00 0.00 O ATOM 470 CB ILE A 27 -10.519 -4.943 -9.324 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.319 -4.173 -10.377 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.100 -6.303 -9.860 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.644 -2.753 -9.970 1.00 0.00 C ATOM 0 H ILE A 27 -9.503 -5.460 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.864 -4.169 -7.826 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.619 -4.374 -9.090 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.754 -4.155 -11.309 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.248 -4.707 -10.578 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.515 -6.171 -10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.497 -6.819 -9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.987 -6.896 -10.082 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.212 -2.268 -10.764 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.236 -2.763 -9.055 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.719 -2.203 -9.798 1.00 0.00 H new ATOM 485 N PRO A 28 -11.993 -7.449 -7.890 1.00 0.00 N ATOM 486 CA PRO A 28 -12.868 -8.618 -8.026 1.00 0.00 C ATOM 487 C PRO A 28 -14.151 -8.479 -7.215 1.00 0.00 C ATOM 488 O PRO A 28 -15.251 -8.485 -7.768 1.00 0.00 O ATOM 489 CB PRO A 28 -12.013 -9.766 -7.482 1.00 0.00 C ATOM 490 CG PRO A 28 -10.610 -9.280 -7.597 1.00 0.00 C ATOM 491 CD PRO A 28 -10.678 -7.801 -7.330 1.00 0.00 C ATOM 0 HA PRO A 28 -13.197 -8.764 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.269 -9.995 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.164 -10.679 -8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.961 -9.780 -6.878 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.204 -9.482 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.614 -7.575 -6.266 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.868 -7.260 -7.820 1.00 0.00 H new ATOM 499 N PHE A 29 -14.004 -8.352 -5.900 1.00 0.00 N ATOM 500 CA PHE A 29 -15.152 -8.212 -5.012 1.00 0.00 C ATOM 501 C PHE A 29 -16.250 -7.380 -5.670 1.00 0.00 C ATOM 502 O PHE A 29 -17.303 -7.901 -6.036 1.00 0.00 O ATOM 503 CB PHE A 29 -14.728 -7.564 -3.693 1.00 0.00 C ATOM 504 CG PHE A 29 -13.787 -8.411 -2.885 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.135 -9.701 -2.520 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.554 -7.916 -2.489 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.271 -10.483 -1.776 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.686 -8.694 -1.746 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.046 -9.978 -1.388 1.00 0.00 C ATOM 0 H PHE A 29 -13.101 -8.343 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.546 -9.208 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.252 -6.606 -3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.617 -7.354 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.092 -10.101 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.269 -6.911 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.554 -11.488 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.727 -8.298 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.370 -10.586 -0.805 1.00 0.00 H new ATOM 519 N GLY A 30 -15.995 -6.084 -5.816 1.00 0.00 N ATOM 520 CA GLY A 30 -16.970 -5.200 -6.429 1.00 0.00 C ATOM 521 C GLY A 30 -16.324 -4.118 -7.271 1.00 0.00 C ATOM 522 O GLY A 30 -15.301 -4.352 -7.916 1.00 0.00 O ATOM 0 H GLY A 30 -15.131 -5.630 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.646 -5.786 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.576 -4.737 -5.650 1.00 0.00 H new ATOM 526 N ASP A 31 -16.921 -2.932 -7.266 1.00 0.00 N ATOM 527 CA ASP A 31 -16.397 -1.809 -8.036 1.00 0.00 C ATOM 528 C ASP A 31 -15.843 -0.729 -7.113 1.00 0.00 C ATOM 529 O ASP A 31 -16.543 0.221 -6.763 1.00 0.00 O ATOM 530 CB ASP A 31 -17.491 -1.222 -8.930 1.00 0.00 C ATOM 531 CG ASP A 31 -17.764 -2.080 -10.149 1.00 0.00 C ATOM 532 OD1 ASP A 31 -16.914 -2.101 -11.064 1.00 0.00 O ATOM 533 OD2 ASP A 31 -18.829 -2.732 -10.189 1.00 0.00 O ATOM 0 H ASP A 31 -17.768 -2.723 -6.738 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.585 -2.177 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.409 -1.114 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.197 -0.223 -9.251 1.00 0.00 H new ATOM 538 N ILE A 32 -14.582 -0.882 -6.722 1.00 0.00 N ATOM 539 CA ILE A 32 -13.934 0.081 -5.840 1.00 0.00 C ATOM 540 C ILE A 32 -14.206 1.511 -6.293 1.00 0.00 C ATOM 541 O ILE A 32 -13.786 1.923 -7.375 1.00 0.00 O ATOM 542 CB ILE A 32 -12.412 -0.146 -5.780 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.104 -1.556 -5.273 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.756 0.899 -4.889 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.701 -2.020 -5.593 1.00 0.00 C ATOM 0 H ILE A 32 -13.989 -1.663 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.355 -0.069 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.004 -0.046 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.250 -1.585 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.818 -2.254 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.680 0.726 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.951 1.894 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.166 0.827 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.553 -3.027 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.557 -2.024 -6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.980 -1.344 -5.133 1.00 0.00 H new ATOM 557 N THR A 33 -14.912 2.267 -5.457 1.00 0.00 N ATOM 558 CA THR A 33 -15.240 3.652 -5.770 1.00 0.00 C ATOM 559 C THR A 33 -14.024 4.556 -5.605 1.00 0.00 C ATOM 560 O THR A 33 -13.733 5.385 -6.468 1.00 0.00 O ATOM 561 CB THR A 33 -16.379 4.176 -4.875 1.00 0.00 C ATOM 562 OG1 THR A 33 -15.994 4.101 -3.498 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.653 3.373 -5.095 1.00 0.00 C ATOM 0 H THR A 33 -15.267 1.943 -4.558 1.00 0.00 H new ATOM 0 HA THR A 33 -15.566 3.672 -6.810 1.00 0.00 H new ATOM 0 HB THR A 33 -16.572 5.215 -5.142 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.723 4.438 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.443 3.761 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.960 3.456 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.470 2.326 -4.853 1.00 0.00 H new ATOM 571 N ASP A 34 -13.316 4.391 -4.493 1.00 0.00 N ATOM 572 CA ASP A 34 -12.128 5.191 -4.217 1.00 0.00 C ATOM 573 C ASP A 34 -11.262 4.528 -3.150 1.00 0.00 C ATOM 574 O ASP A 34 -11.723 3.649 -2.421 1.00 0.00 O ATOM 575 CB ASP A 34 -12.529 6.597 -3.765 1.00 0.00 C ATOM 576 CG ASP A 34 -11.344 7.540 -3.691 1.00 0.00 C ATOM 577 OD1 ASP A 34 -10.442 7.428 -4.547 1.00 0.00 O ATOM 578 OD2 ASP A 34 -11.320 8.391 -2.778 1.00 0.00 O ATOM 0 H ASP A 34 -13.544 3.711 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.547 5.264 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.269 7.001 -4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.006 6.539 -2.786 1.00 0.00 H new ATOM 583 N ILE A 35 -10.007 4.955 -3.066 1.00 0.00 N ATOM 584 CA ILE A 35 -9.077 4.402 -2.089 1.00 0.00 C ATOM 585 C ILE A 35 -8.290 5.507 -1.393 1.00 0.00 C ATOM 586 O ILE A 35 -8.006 6.547 -1.986 1.00 0.00 O ATOM 587 CB ILE A 35 -8.089 3.419 -2.745 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.839 2.213 -3.315 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.041 2.970 -1.737 1.00 0.00 C ATOM 590 CD1 ILE A 35 -7.992 1.348 -4.221 1.00 0.00 C ATOM 0 H ILE A 35 -9.611 5.682 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.675 3.866 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.582 3.928 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.213 1.605 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.708 2.565 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.350 2.276 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.490 3.838 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.531 2.475 -0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.588 0.513 -4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.640 1.941 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.137 0.966 -3.664 1.00 0.00 H new ATOM 602 N GLN A 36 -7.939 5.273 -0.132 1.00 0.00 N ATOM 603 CA GLN A 36 -7.184 6.249 0.644 1.00 0.00 C ATOM 604 C GLN A 36 -5.909 5.628 1.205 1.00 0.00 C ATOM 605 O GLN A 36 -5.946 4.566 1.828 1.00 0.00 O ATOM 606 CB GLN A 36 -8.041 6.800 1.784 1.00 0.00 C ATOM 607 CG GLN A 36 -9.027 7.869 1.342 1.00 0.00 C ATOM 608 CD GLN A 36 -10.248 7.289 0.655 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.267 7.351 -0.672 1.00 0.00 O flip ATOM 610 NE2 GLN A 36 -11.165 6.790 1.309 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.166 4.416 0.373 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.907 7.068 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.590 5.979 2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.387 7.215 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.344 8.447 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.527 8.561 0.664 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.109 6.763 2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.980 6.404 0.832 1.00 0.00 H new ATOM 619 N ILE A 37 -4.782 6.296 0.981 1.00 0.00 N ATOM 620 CA ILE A 37 -3.497 5.810 1.465 1.00 0.00 C ATOM 621 C ILE A 37 -2.798 6.861 2.321 1.00 0.00 C ATOM 622 O ILE A 37 -2.566 7.992 1.893 1.00 0.00 O ATOM 623 CB ILE A 37 -2.570 5.414 0.300 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.225 4.328 -0.555 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.225 4.939 0.831 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.442 3.026 0.185 1.00 0.00 C ATOM 0 H ILE A 37 -4.734 7.176 0.467 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.702 4.928 2.072 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.402 6.291 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.185 4.694 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.602 4.140 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.581 4.663 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.756 5.740 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.374 4.073 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.910 2.302 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.483 2.637 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.090 3.199 1.044 1.00 0.00 H new ATOM 638 N PRO A 38 -2.453 6.481 3.560 1.00 0.00 N ATOM 639 CA PRO A 38 -1.773 7.376 4.502 1.00 0.00 C ATOM 640 C PRO A 38 -0.336 7.672 4.086 1.00 0.00 C ATOM 641 O PRO A 38 0.497 6.768 4.009 1.00 0.00 O ATOM 642 CB PRO A 38 -1.799 6.592 5.816 1.00 0.00 C ATOM 643 CG PRO A 38 -1.889 5.164 5.404 1.00 0.00 C ATOM 644 CD PRO A 38 -2.698 5.149 4.137 1.00 0.00 C ATOM 0 HA PRO A 38 -2.258 8.351 4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.901 6.778 6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.651 6.881 6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.898 4.742 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.366 4.564 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.376 4.354 3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.757 4.987 4.338 1.00 0.00 H new ATOM 652 N LEU A 39 -0.052 8.942 3.819 1.00 0.00 N ATOM 653 CA LEU A 39 1.285 9.358 3.412 1.00 0.00 C ATOM 654 C LEU A 39 1.763 10.545 4.241 1.00 0.00 C ATOM 655 O LEU A 39 0.959 11.261 4.838 1.00 0.00 O ATOM 656 CB LEU A 39 1.297 9.721 1.926 1.00 0.00 C ATOM 657 CG LEU A 39 0.857 8.619 0.962 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.110 9.038 -0.478 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.579 7.317 1.275 1.00 0.00 C ATOM 0 H LEU A 39 -0.730 9.702 3.877 1.00 0.00 H new ATOM 0 HA LEU A 39 1.965 8.523 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.649 10.585 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.307 10.030 1.656 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.213 8.457 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.791 8.241 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.547 9.945 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.174 9.228 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.253 6.544 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.654 7.465 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.347 7.008 2.294 1.00 0.00 H new ATOM 671 N ASP A 40 3.076 10.749 4.272 1.00 0.00 N ATOM 672 CA ASP A 40 3.661 11.851 5.026 1.00 0.00 C ATOM 673 C ASP A 40 3.811 13.090 4.148 1.00 0.00 C ATOM 674 O ASP A 40 3.469 13.070 2.965 1.00 0.00 O ATOM 675 CB ASP A 40 5.022 11.445 5.593 1.00 0.00 C ATOM 676 CG ASP A 40 5.378 12.211 6.851 1.00 0.00 C ATOM 677 OD1 ASP A 40 5.837 13.367 6.732 1.00 0.00 O ATOM 678 OD2 ASP A 40 5.196 11.656 7.955 1.00 0.00 O ATOM 0 H ASP A 40 3.755 10.165 3.783 1.00 0.00 H new ATOM 0 HA ASP A 40 2.990 12.090 5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.017 10.377 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.791 11.613 4.839 1.00 0.00 H new ATOM 683 N TYR A 41 4.323 14.166 4.735 1.00 0.00 N ATOM 684 CA TYR A 41 4.515 15.415 4.008 1.00 0.00 C ATOM 685 C TYR A 41 5.977 15.592 3.606 1.00 0.00 C ATOM 686 O TYR A 41 6.319 16.509 2.861 1.00 0.00 O ATOM 687 CB TYR A 41 4.061 16.601 4.860 1.00 0.00 C ATOM 688 CG TYR A 41 5.090 17.046 5.875 1.00 0.00 C ATOM 689 CD1 TYR A 41 6.056 17.989 5.547 1.00 0.00 C ATOM 690 CD2 TYR A 41 5.094 16.525 7.163 1.00 0.00 C ATOM 691 CE1 TYR A 41 6.998 18.398 6.471 1.00 0.00 C ATOM 692 CE2 TYR A 41 6.031 16.929 8.094 1.00 0.00 C ATOM 693 CZ TYR A 41 6.981 17.865 7.743 1.00 0.00 C ATOM 694 OH TYR A 41 7.917 18.271 8.667 1.00 0.00 O ATOM 0 H TYR A 41 4.613 14.198 5.713 1.00 0.00 H new ATOM 0 HA TYR A 41 3.910 15.375 3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.823 17.439 4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.142 16.333 5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.071 18.410 4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.352 15.791 7.441 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.743 19.131 6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.020 16.514 9.091 1.00 0.00 H new ATOM 0 HH TYR A 41 7.766 17.801 9.514 1.00 0.00 H new ATOM 704 N GLU A 42 6.833 14.707 4.107 1.00 0.00 N ATOM 705 CA GLU A 42 8.257 14.765 3.801 1.00 0.00 C ATOM 706 C GLU A 42 8.706 13.511 3.057 1.00 0.00 C ATOM 707 O GLU A 42 9.538 13.576 2.151 1.00 0.00 O ATOM 708 CB GLU A 42 9.071 14.927 5.087 1.00 0.00 C ATOM 709 CG GLU A 42 8.615 14.017 6.215 1.00 0.00 C ATOM 710 CD GLU A 42 9.717 13.732 7.216 1.00 0.00 C ATOM 711 OE1 GLU A 42 10.819 13.329 6.786 1.00 0.00 O ATOM 712 OE2 GLU A 42 9.479 13.911 8.429 1.00 0.00 O ATOM 0 H GLU A 42 6.565 13.942 4.726 1.00 0.00 H new ATOM 0 HA GLU A 42 8.429 15.628 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.120 14.726 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.007 15.963 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.772 14.477 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.258 13.076 5.796 1.00 0.00 H new ATOM 719 N THR A 43 8.149 12.368 3.445 1.00 0.00 N ATOM 720 CA THR A 43 8.492 11.099 2.817 1.00 0.00 C ATOM 721 C THR A 43 7.401 10.650 1.853 1.00 0.00 C ATOM 722 O THR A 43 7.675 9.973 0.862 1.00 0.00 O ATOM 723 CB THR A 43 8.718 9.995 3.868 1.00 0.00 C ATOM 724 OG1 THR A 43 7.523 9.792 4.630 1.00 0.00 O ATOM 725 CG2 THR A 43 9.864 10.361 4.800 1.00 0.00 C ATOM 0 H THR A 43 7.458 12.296 4.192 1.00 0.00 H new ATOM 0 HA THR A 43 9.418 11.260 2.265 1.00 0.00 H new ATOM 0 HB THR A 43 8.976 9.074 3.345 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.689 9.122 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.005 9.567 5.533 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.779 10.486 4.220 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.631 11.293 5.315 1.00 0.00 H new ATOM 733 N GLU A 44 6.162 11.032 2.148 1.00 0.00 N ATOM 734 CA GLU A 44 5.029 10.667 1.305 1.00 0.00 C ATOM 735 C GLU A 44 4.935 9.153 1.146 1.00 0.00 C ATOM 736 O GLU A 44 4.514 8.652 0.103 1.00 0.00 O ATOM 737 CB GLU A 44 5.154 11.329 -0.068 1.00 0.00 C ATOM 738 CG GLU A 44 5.144 12.848 -0.015 1.00 0.00 C ATOM 739 CD GLU A 44 4.895 13.477 -1.372 1.00 0.00 C ATOM 740 OE1 GLU A 44 5.671 13.196 -2.309 1.00 0.00 O ATOM 741 OE2 GLU A 44 3.923 14.252 -1.497 1.00 0.00 O ATOM 0 H GLU A 44 5.918 11.594 2.964 1.00 0.00 H new ATOM 0 HA GLU A 44 4.119 11.021 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.079 10.996 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.334 10.991 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.373 13.179 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.099 13.201 0.375 1.00 0.00 H new ATOM 748 N LYS A 45 5.330 8.428 2.187 1.00 0.00 N ATOM 749 CA LYS A 45 5.290 6.971 2.165 1.00 0.00 C ATOM 750 C LYS A 45 4.322 6.437 3.216 1.00 0.00 C ATOM 751 O LYS A 45 4.039 7.106 4.210 1.00 0.00 O ATOM 752 CB LYS A 45 6.689 6.398 2.407 1.00 0.00 C ATOM 753 CG LYS A 45 7.203 6.624 3.818 1.00 0.00 C ATOM 754 CD LYS A 45 8.321 5.656 4.166 1.00 0.00 C ATOM 755 CE LYS A 45 9.081 6.104 5.405 1.00 0.00 C ATOM 756 NZ LYS A 45 10.236 5.211 5.700 1.00 0.00 N ATOM 0 H LYS A 45 5.682 8.827 3.057 1.00 0.00 H new ATOM 0 HA LYS A 45 4.940 6.657 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.675 5.328 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.385 6.849 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.564 7.648 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.384 6.506 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.905 4.663 4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.009 5.576 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.438 7.124 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.405 6.118 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.728 5.550 6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.894 4.242 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.894 5.217 4.895 1.00 0.00 H new ATOM 770 N HIS A 46 3.818 5.228 2.990 1.00 0.00 N ATOM 771 CA HIS A 46 2.883 4.603 3.919 1.00 0.00 C ATOM 772 C HIS A 46 3.610 3.650 4.863 1.00 0.00 C ATOM 773 O HIS A 46 4.670 3.120 4.530 1.00 0.00 O ATOM 774 CB HIS A 46 1.796 3.849 3.152 1.00 0.00 C ATOM 775 CG HIS A 46 2.248 2.524 2.621 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.850 1.564 3.406 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.180 2.001 1.374 1.00 0.00 C ATOM 778 CE1 HIS A 46 3.135 0.508 2.665 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.738 0.747 1.428 1.00 0.00 N ATOM 0 H HIS A 46 4.041 4.662 2.172 1.00 0.00 H new ATOM 0 HA HIS A 46 2.419 5.390 4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.940 3.695 3.809 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.454 4.467 2.322 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.765 2.480 0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.612 -0.397 3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.831 0.105 0.641 1.00 0.00 H new ATOM 787 N ARG A 47 3.034 3.438 6.042 1.00 0.00 N ATOM 788 CA ARG A 47 3.628 2.551 7.034 1.00 0.00 C ATOM 789 C ARG A 47 3.299 1.093 6.726 1.00 0.00 C ATOM 790 O ARG A 47 4.186 0.241 6.683 1.00 0.00 O ATOM 791 CB ARG A 47 3.131 2.912 8.435 1.00 0.00 C ATOM 792 CG ARG A 47 3.841 4.111 9.043 1.00 0.00 C ATOM 793 CD ARG A 47 3.404 4.347 10.480 1.00 0.00 C ATOM 794 NE ARG A 47 4.381 5.136 11.226 1.00 0.00 N ATOM 795 CZ ARG A 47 4.128 5.693 12.405 1.00 0.00 C ATOM 796 NH1 ARG A 47 2.937 5.549 12.970 1.00 0.00 N ATOM 797 NH2 ARG A 47 5.069 6.397 13.023 1.00 0.00 N ATOM 0 H ARG A 47 2.156 3.869 6.333 1.00 0.00 H new ATOM 0 HA ARG A 47 4.710 2.677 6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.062 3.118 8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.263 2.051 9.091 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.919 3.952 9.011 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.632 5.000 8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.442 4.860 10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.257 3.388 10.977 1.00 0.00 H new ATOM 0 HE ARG A 47 5.307 5.266 10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.211 5.009 12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.747 5.978 13.875 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.987 6.510 12.592 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.874 6.825 13.928 1.00 0.00 H new ATOM 811 N GLY A 48 2.017 0.813 6.514 1.00 0.00 N ATOM 812 CA GLY A 48 1.593 -0.542 6.214 1.00 0.00 C ATOM 813 C GLY A 48 0.107 -0.747 6.433 1.00 0.00 C ATOM 814 O GLY A 48 -0.303 -1.684 7.118 1.00 0.00 O ATOM 0 H GLY A 48 1.264 1.501 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.840 -0.776 5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.149 -1.240 6.840 1.00 0.00 H new ATOM 818 N PHE A 49 -0.702 0.132 5.851 1.00 0.00 N ATOM 819 CA PHE A 49 -2.151 0.045 5.988 1.00 0.00 C ATOM 820 C PHE A 49 -2.844 1.076 5.103 1.00 0.00 C ATOM 821 O PHE A 49 -2.209 1.998 4.592 1.00 0.00 O ATOM 822 CB PHE A 49 -2.560 0.252 7.448 1.00 0.00 C ATOM 823 CG PHE A 49 -2.479 1.683 7.896 1.00 0.00 C ATOM 824 CD1 PHE A 49 -1.257 2.332 7.970 1.00 0.00 C ATOM 825 CD2 PHE A 49 -3.625 2.380 8.242 1.00 0.00 C ATOM 826 CE1 PHE A 49 -1.179 3.648 8.383 1.00 0.00 C ATOM 827 CE2 PHE A 49 -3.554 3.697 8.655 1.00 0.00 C ATOM 828 CZ PHE A 49 -2.330 4.332 8.725 1.00 0.00 C ATOM 0 H PHE A 49 -0.379 0.913 5.280 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.462 -0.950 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.580 -0.106 7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.920 -0.357 8.086 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.355 1.803 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.585 1.889 8.188 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.220 4.141 8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.455 4.229 8.923 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.272 5.361 9.046 1.00 0.00 H new ATOM 838 N ALA A 50 -4.151 0.913 4.926 1.00 0.00 N ATOM 839 CA ALA A 50 -4.931 1.829 4.104 1.00 0.00 C ATOM 840 C ALA A 50 -6.425 1.561 4.249 1.00 0.00 C ATOM 841 O ALA A 50 -6.839 0.697 5.023 1.00 0.00 O ATOM 842 CB ALA A 50 -4.512 1.718 2.646 1.00 0.00 C ATOM 0 H ALA A 50 -4.692 0.154 5.341 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.735 2.844 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.103 2.408 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.455 1.967 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.677 0.699 2.297 1.00 0.00 H new ATOM 848 N PHE A 51 -7.231 2.307 3.502 1.00 0.00 N ATOM 849 CA PHE A 51 -8.680 2.150 3.549 1.00 0.00 C ATOM 850 C PHE A 51 -9.269 2.111 2.141 1.00 0.00 C ATOM 851 O PHE A 51 -8.964 2.961 1.304 1.00 0.00 O ATOM 852 CB PHE A 51 -9.312 3.293 4.346 1.00 0.00 C ATOM 853 CG PHE A 51 -8.832 3.370 5.767 1.00 0.00 C ATOM 854 CD1 PHE A 51 -7.609 3.948 6.068 1.00 0.00 C ATOM 855 CD2 PHE A 51 -9.602 2.863 6.801 1.00 0.00 C ATOM 856 CE1 PHE A 51 -7.164 4.021 7.375 1.00 0.00 C ATOM 857 CE2 PHE A 51 -9.162 2.934 8.110 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.941 3.512 8.397 1.00 0.00 C ATOM 0 H PHE A 51 -6.906 3.027 2.857 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.902 1.204 4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.095 4.237 3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.395 3.172 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.996 4.346 5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.556 2.407 6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.210 4.476 7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.773 2.538 8.908 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.595 3.566 9.418 1.00 0.00 H new ATOM 868 N VAL A 52 -10.115 1.117 1.888 1.00 0.00 N ATOM 869 CA VAL A 52 -10.748 0.966 0.583 1.00 0.00 C ATOM 870 C VAL A 52 -12.257 1.156 0.679 1.00 0.00 C ATOM 871 O VAL A 52 -12.880 0.765 1.665 1.00 0.00 O ATOM 872 CB VAL A 52 -10.453 -0.418 -0.026 1.00 0.00 C ATOM 873 CG1 VAL A 52 -11.206 -0.596 -1.336 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.957 -0.601 -0.232 1.00 0.00 C ATOM 0 H VAL A 52 -10.378 0.405 2.569 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.329 1.737 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.797 -1.183 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.986 -1.579 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.277 -0.511 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.895 0.174 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.767 -1.584 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.586 0.169 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.445 -0.520 0.727 1.00 0.00 H new ATOM 884 N GLU A 53 -12.839 1.759 -0.353 1.00 0.00 N ATOM 885 CA GLU A 53 -14.276 2.001 -0.385 1.00 0.00 C ATOM 886 C GLU A 53 -14.961 1.086 -1.396 1.00 0.00 C ATOM 887 O GLU A 53 -14.420 0.812 -2.468 1.00 0.00 O ATOM 888 CB GLU A 53 -14.562 3.464 -0.730 1.00 0.00 C ATOM 889 CG GLU A 53 -14.685 4.364 0.489 1.00 0.00 C ATOM 890 CD GLU A 53 -14.224 5.782 0.215 1.00 0.00 C ATOM 891 OE1 GLU A 53 -13.022 5.972 -0.064 1.00 0.00 O ATOM 892 OE2 GLU A 53 -15.066 6.703 0.280 1.00 0.00 O ATOM 0 H GLU A 53 -12.337 2.089 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.676 1.783 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.764 3.840 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.486 3.519 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.723 4.381 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.097 3.946 1.306 1.00 0.00 H new ATOM 899 N PHE A 54 -16.153 0.614 -1.047 1.00 0.00 N ATOM 900 CA PHE A 54 -16.911 -0.271 -1.923 1.00 0.00 C ATOM 901 C PHE A 54 -18.206 0.394 -2.381 1.00 0.00 C ATOM 902 O PHE A 54 -18.849 1.113 -1.617 1.00 0.00 O ATOM 903 CB PHE A 54 -17.226 -1.585 -1.205 1.00 0.00 C ATOM 904 CG PHE A 54 -16.076 -2.552 -1.191 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.823 -2.151 -0.759 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.249 -3.861 -1.610 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.762 -3.037 -0.744 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.193 -4.752 -1.597 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.948 -4.339 -1.165 1.00 0.00 C ATOM 0 H PHE A 54 -16.615 0.830 -0.164 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.301 -0.481 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.520 -1.367 -0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.082 -2.057 -1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.673 -1.133 -0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.220 -4.189 -1.951 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.790 -2.712 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.341 -5.770 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.121 -5.033 -1.156 1.00 0.00 H new ATOM 919 N GLU A 55 -18.580 0.148 -3.632 1.00 0.00 N ATOM 920 CA GLU A 55 -19.796 0.724 -4.193 1.00 0.00 C ATOM 921 C GLU A 55 -20.995 0.447 -3.290 1.00 0.00 C ATOM 922 O GLU A 55 -21.845 1.315 -3.083 1.00 0.00 O ATOM 923 CB GLU A 55 -20.056 0.162 -5.592 1.00 0.00 C ATOM 924 CG GLU A 55 -21.101 0.939 -6.375 1.00 0.00 C ATOM 925 CD GLU A 55 -21.654 0.153 -7.548 1.00 0.00 C ATOM 926 OE1 GLU A 55 -21.893 -1.063 -7.389 1.00 0.00 O ATOM 927 OE2 GLU A 55 -21.849 0.753 -8.626 1.00 0.00 O ATOM 0 H GLU A 55 -18.058 -0.446 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.657 1.803 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.121 0.159 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.378 -0.876 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.919 1.214 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.661 1.867 -6.739 1.00 0.00 H new ATOM 934 N LEU A 56 -21.058 -0.768 -2.757 1.00 0.00 N ATOM 935 CA LEU A 56 -22.153 -1.162 -1.877 1.00 0.00 C ATOM 936 C LEU A 56 -21.621 -1.766 -0.582 1.00 0.00 C ATOM 937 O LEU A 56 -20.477 -2.217 -0.520 1.00 0.00 O ATOM 938 CB LEU A 56 -23.066 -2.165 -2.584 1.00 0.00 C ATOM 939 CG LEU A 56 -23.621 -1.728 -3.940 1.00 0.00 C ATOM 940 CD1 LEU A 56 -24.229 -2.913 -4.675 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.651 -0.622 -3.764 1.00 0.00 C ATOM 0 H LEU A 56 -20.364 -1.498 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.727 -0.269 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.513 -3.094 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.905 -2.389 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.798 -1.338 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.619 -2.583 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.465 -3.673 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.040 -3.333 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -25.035 -0.324 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.472 -0.985 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.184 0.236 -3.280 1.00 0.00 H new ATOM 953 N ALA A 57 -22.458 -1.774 0.450 1.00 0.00 N ATOM 954 CA ALA A 57 -22.073 -2.328 1.742 1.00 0.00 C ATOM 955 C ALA A 57 -21.876 -3.837 1.656 1.00 0.00 C ATOM 956 O ALA A 57 -20.816 -4.354 2.010 1.00 0.00 O ATOM 957 CB ALA A 57 -23.120 -1.989 2.794 1.00 0.00 C ATOM 0 H ALA A 57 -23.408 -1.403 0.416 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.123 -1.881 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.820 -2.409 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.209 -0.906 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.082 -2.409 2.499 1.00 0.00 H new ATOM 963 N GLU A 58 -22.902 -4.538 1.185 1.00 0.00 N ATOM 964 CA GLU A 58 -22.840 -5.989 1.054 1.00 0.00 C ATOM 965 C GLU A 58 -21.474 -6.431 0.538 1.00 0.00 C ATOM 966 O GLU A 58 -20.731 -7.125 1.232 1.00 0.00 O ATOM 967 CB GLU A 58 -23.939 -6.486 0.113 1.00 0.00 C ATOM 968 CG GLU A 58 -25.343 -6.156 0.588 1.00 0.00 C ATOM 969 CD GLU A 58 -25.786 -7.027 1.748 1.00 0.00 C ATOM 970 OE1 GLU A 58 -24.912 -7.479 2.517 1.00 0.00 O ATOM 971 OE2 GLU A 58 -27.006 -7.257 1.887 1.00 0.00 O ATOM 0 H GLU A 58 -23.786 -4.125 0.888 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.994 -6.424 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.786 -6.048 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -23.847 -7.566 -0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -25.384 -5.109 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -26.041 -6.278 -0.240 1.00 0.00 H new ATOM 978 N ASP A 59 -21.150 -6.024 -0.685 1.00 0.00 N ATOM 979 CA ASP A 59 -19.874 -6.377 -1.295 1.00 0.00 C ATOM 980 C ASP A 59 -18.733 -6.230 -0.293 1.00 0.00 C ATOM 981 O ASP A 59 -17.849 -7.082 -0.214 1.00 0.00 O ATOM 982 CB ASP A 59 -19.610 -5.499 -2.519 1.00 0.00 C ATOM 983 CG ASP A 59 -20.748 -5.543 -3.520 1.00 0.00 C ATOM 984 OD1 ASP A 59 -21.307 -6.639 -3.735 1.00 0.00 O ATOM 985 OD2 ASP A 59 -21.081 -4.481 -4.086 1.00 0.00 O ATOM 0 H ASP A 59 -21.754 -5.449 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.926 -7.420 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.453 -4.470 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.690 -5.825 -3.005 1.00 0.00 H new ATOM 990 N ALA A 60 -18.759 -5.142 0.470 1.00 0.00 N ATOM 991 CA ALA A 60 -17.728 -4.884 1.468 1.00 0.00 C ATOM 992 C ALA A 60 -17.636 -6.029 2.471 1.00 0.00 C ATOM 993 O ALA A 60 -16.561 -6.584 2.695 1.00 0.00 O ATOM 994 CB ALA A 60 -18.006 -3.572 2.186 1.00 0.00 C ATOM 0 H ALA A 60 -19.483 -4.425 0.416 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.770 -4.809 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.229 -3.392 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.014 -2.756 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.975 -3.627 2.682 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.769 -6.376 3.072 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.816 -7.456 4.050 1.00 0.00 C ATOM 1002 C ALA A 61 -18.153 -8.718 3.507 1.00 0.00 C ATOM 1003 O ALA A 61 -17.354 -9.355 4.192 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.255 -7.744 4.450 1.00 0.00 C ATOM 0 H ALA A 61 -19.667 -5.925 2.899 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.262 -7.137 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.275 -8.553 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.697 -6.849 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.826 -8.037 3.569 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.491 -9.073 2.272 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.928 -10.258 1.636 1.00 0.00 C ATOM 1012 C ALA A 62 -16.416 -10.131 1.481 1.00 0.00 C ATOM 1013 O ALA A 62 -15.680 -11.098 1.675 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.581 -10.492 0.283 1.00 0.00 C ATOM 0 H ALA A 62 -19.152 -8.557 1.692 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.131 -11.115 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.151 -11.380 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.653 -10.636 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.408 -9.628 -0.359 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.960 -8.933 1.131 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.536 -8.680 0.951 1.00 0.00 C ATOM 1022 C ALA A 63 -13.758 -8.993 2.225 1.00 0.00 C ATOM 1023 O ALA A 63 -12.660 -9.549 2.172 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.305 -7.237 0.530 1.00 0.00 C ATOM 0 H ALA A 63 -16.556 -8.122 0.966 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.172 -9.339 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.237 -7.063 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.822 -7.045 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.690 -6.567 1.299 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.332 -8.631 3.367 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.692 -8.874 4.654 1.00 0.00 C ATOM 1032 C ILE A 64 -13.638 -10.365 4.969 1.00 0.00 C ATOM 1033 O ILE A 64 -12.566 -10.921 5.204 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.427 -8.146 5.794 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.622 -6.669 5.444 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.656 -8.289 7.098 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.333 -5.881 6.522 1.00 0.00 C ATOM 0 H ILE A 64 -15.239 -8.168 3.427 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.677 -8.484 4.580 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.409 -8.602 5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.648 -6.217 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -15.191 -6.596 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.188 -7.769 7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.564 -9.345 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.662 -7.856 6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.436 -4.843 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.321 -6.308 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.755 -5.923 7.445 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.802 -11.006 4.969 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.887 -12.434 5.252 1.00 0.00 C ATOM 1051 C ASP A 65 -13.817 -13.205 4.486 1.00 0.00 C ATOM 1052 O ASP A 65 -13.404 -14.288 4.898 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.275 -12.965 4.888 1.00 0.00 C ATOM 1054 CG ASP A 65 -17.308 -12.665 5.956 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -17.027 -12.930 7.144 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -18.398 -12.166 5.604 1.00 0.00 O ATOM 0 H ASP A 65 -15.699 -10.560 4.776 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.719 -12.579 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.594 -12.523 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.219 -14.042 4.733 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.373 -12.639 3.368 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.352 -13.274 2.543 1.00 0.00 C ATOM 1063 C ASN A 66 -10.974 -12.689 2.837 1.00 0.00 C ATOM 1064 O ASN A 66 -10.137 -13.333 3.470 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.685 -13.103 1.060 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.830 -13.993 0.618 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.623 -14.994 -0.068 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -15.046 -13.632 1.010 1.00 0.00 N ATOM 0 H ASN A 66 -13.704 -11.742 3.013 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.335 -14.337 2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.942 -12.062 0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.801 -13.330 0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.855 -14.193 0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.171 -12.794 1.578 1.00 0.00 H new ATOM 1075 N MET A 67 -10.746 -11.465 2.374 1.00 0.00 N ATOM 1076 CA MET A 67 -9.470 -10.792 2.589 1.00 0.00 C ATOM 1077 C MET A 67 -8.979 -11.001 4.018 1.00 0.00 C ATOM 1078 O MET A 67 -7.778 -10.971 4.282 1.00 0.00 O ATOM 1079 CB MET A 67 -9.602 -9.296 2.296 1.00 0.00 C ATOM 1080 CG MET A 67 -9.930 -8.988 0.845 1.00 0.00 C ATOM 1081 SD MET A 67 -8.859 -9.864 -0.311 1.00 0.00 S ATOM 1082 CE MET A 67 -7.286 -9.073 0.019 1.00 0.00 C ATOM 0 H MET A 67 -11.428 -10.919 1.848 1.00 0.00 H new ATOM 0 HA MET A 67 -8.740 -11.225 1.906 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.381 -8.877 2.933 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.670 -8.798 2.563 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.968 -9.256 0.647 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.840 -7.915 0.676 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.935 -8.571 -0.882 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.407 -8.342 0.818 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.557 -9.825 0.322 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.916 -11.213 4.936 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.579 -11.426 6.339 1.00 0.00 C ATOM 1094 C ASN A 68 -8.453 -12.446 6.478 1.00 0.00 C ATOM 1095 O ASN A 68 -8.605 -13.607 6.101 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.809 -11.898 7.115 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.442 -12.690 8.355 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.799 -13.861 8.486 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -9.724 -12.053 9.273 1.00 0.00 N ATOM 0 H ASN A 68 -10.915 -11.242 4.734 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.239 -10.477 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.407 -11.033 7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.431 -12.513 6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.447 -12.535 10.128 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.450 -11.082 9.123 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.324 -12.003 7.023 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.173 -12.878 7.212 1.00 0.00 C ATOM 1108 C GLU A 69 -5.775 -13.545 5.898 1.00 0.00 C ATOM 1109 O GLU A 69 -5.398 -14.716 5.873 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.482 -13.944 8.264 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.478 -13.414 9.688 1.00 0.00 C ATOM 1112 CD GLU A 69 -6.966 -14.438 10.694 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -8.122 -14.891 10.568 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -6.189 -14.787 11.608 1.00 0.00 O ATOM 0 H GLU A 69 -7.182 -11.044 7.341 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.338 -12.268 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.458 -14.381 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.749 -14.746 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.467 -13.103 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.109 -12.527 9.743 1.00 0.00 H new ATOM 1121 N SER A 70 -5.863 -12.790 4.808 1.00 0.00 N ATOM 1122 CA SER A 70 -5.516 -13.308 3.489 1.00 0.00 C ATOM 1123 C SER A 70 -4.005 -13.291 3.279 1.00 0.00 C ATOM 1124 O SER A 70 -3.246 -12.952 4.186 1.00 0.00 O ATOM 1125 CB SER A 70 -6.204 -12.485 2.398 1.00 0.00 C ATOM 1126 OG SER A 70 -5.728 -11.150 2.390 1.00 0.00 O ATOM 0 H SER A 70 -6.171 -11.818 4.812 1.00 0.00 H new ATOM 0 HA SER A 70 -5.862 -14.340 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.026 -12.944 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.282 -12.489 2.560 1.00 0.00 H new ATOM 0 HG SER A 70 -6.249 -10.613 3.023 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.578 -13.660 2.075 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.157 -13.689 1.746 1.00 0.00 C ATOM 1134 C GLU A 71 -1.838 -12.699 0.629 1.00 0.00 C ATOM 1135 O GLU A 71 -2.260 -12.878 -0.514 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.737 -15.099 1.328 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.231 -15.289 1.257 1.00 0.00 C ATOM 1138 CD GLU A 71 0.171 -16.750 1.202 1.00 0.00 C ATOM 1139 OE1 GLU A 71 0.233 -17.388 2.274 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.424 -17.255 0.089 1.00 0.00 O ATOM 0 H GLU A 71 -4.194 -13.942 1.313 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.597 -13.400 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.153 -15.817 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.170 -15.324 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.155 -14.777 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.232 -14.821 2.126 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.091 -11.655 0.968 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.714 -10.635 -0.005 1.00 0.00 C ATOM 1149 C LEU A 72 0.790 -10.386 0.022 1.00 0.00 C ATOM 1150 O LEU A 72 1.338 -9.938 1.030 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.464 -9.332 0.277 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.210 -8.186 -0.703 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -1.880 -8.468 -2.039 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -1.706 -6.869 -0.124 1.00 0.00 C ATOM 0 H LEU A 72 -0.734 -11.492 1.909 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.985 -10.996 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.533 -9.546 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.199 -8.993 1.278 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.135 -8.106 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.688 -7.642 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.478 -9.389 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.955 -8.575 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.517 -6.065 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.776 -6.937 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.180 -6.660 0.808 1.00 0.00 H new ATOM 1166 N PHE A 73 1.453 -10.677 -1.092 1.00 0.00 N ATOM 1167 CA PHE A 73 2.895 -10.483 -1.197 1.00 0.00 C ATOM 1168 C PHE A 73 3.635 -11.345 -0.178 1.00 0.00 C ATOM 1169 O PHE A 73 4.578 -10.890 0.467 1.00 0.00 O ATOM 1170 CB PHE A 73 3.249 -9.009 -0.989 1.00 0.00 C ATOM 1171 CG PHE A 73 3.239 -8.205 -2.257 1.00 0.00 C ATOM 1172 CD1 PHE A 73 2.098 -8.135 -3.039 1.00 0.00 C ATOM 1173 CD2 PHE A 73 4.372 -7.520 -2.668 1.00 0.00 C ATOM 1174 CE1 PHE A 73 2.085 -7.395 -4.207 1.00 0.00 C ATOM 1175 CE2 PHE A 73 4.365 -6.779 -3.834 1.00 0.00 C ATOM 1176 CZ PHE A 73 3.221 -6.717 -4.605 1.00 0.00 C ATOM 0 H PHE A 73 1.015 -11.048 -1.935 1.00 0.00 H new ATOM 0 HA PHE A 73 3.206 -10.786 -2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.543 -8.570 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.237 -8.942 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.208 -8.665 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.270 -7.566 -2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.188 -7.347 -4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.254 -6.249 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.214 -6.139 -5.518 1.00 0.00 H new ATOM 1186 N GLY A 74 3.198 -12.593 -0.039 1.00 0.00 N ATOM 1187 CA GLY A 74 3.829 -13.499 0.903 1.00 0.00 C ATOM 1188 C GLY A 74 3.698 -13.028 2.338 1.00 0.00 C ATOM 1189 O GLY A 74 4.574 -13.282 3.164 1.00 0.00 O ATOM 0 H GLY A 74 2.419 -12.993 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.381 -14.488 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.885 -13.601 0.652 1.00 0.00 H new ATOM 1193 N ARG A 75 2.602 -12.337 2.634 1.00 0.00 N ATOM 1194 CA ARG A 75 2.360 -11.827 3.978 1.00 0.00 C ATOM 1195 C ARG A 75 0.880 -11.917 4.336 1.00 0.00 C ATOM 1196 O ARG A 75 0.019 -11.971 3.457 1.00 0.00 O ATOM 1197 CB ARG A 75 2.835 -10.377 4.089 1.00 0.00 C ATOM 1198 CG ARG A 75 4.310 -10.193 3.769 1.00 0.00 C ATOM 1199 CD ARG A 75 4.679 -8.721 3.669 1.00 0.00 C ATOM 1200 NE ARG A 75 6.042 -8.531 3.179 1.00 0.00 N ATOM 1201 CZ ARG A 75 6.764 -7.443 3.421 1.00 0.00 C ATOM 1202 NH1 ARG A 75 6.257 -6.453 4.143 1.00 0.00 N ATOM 1203 NH2 ARG A 75 7.997 -7.344 2.941 1.00 0.00 N ATOM 0 H ARG A 75 1.868 -12.118 1.961 1.00 0.00 H new ATOM 0 HA ARG A 75 2.924 -12.442 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.245 -9.758 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.644 -10.017 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.913 -10.669 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.545 -10.693 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.980 -8.217 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.578 -8.254 4.649 1.00 0.00 H new ATOM 0 HE ARG A 75 6.462 -9.274 2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.310 -6.526 4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.814 -5.619 4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.391 -8.104 2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.551 -6.508 3.127 1.00 0.00 H new ATOM 1217 N THR A 76 0.589 -11.932 5.633 1.00 0.00 N ATOM 1218 CA THR A 76 -0.786 -12.017 6.108 1.00 0.00 C ATOM 1219 C THR A 76 -1.298 -10.653 6.557 1.00 0.00 C ATOM 1220 O THR A 76 -0.767 -10.060 7.497 1.00 0.00 O ATOM 1221 CB THR A 76 -0.916 -13.012 7.276 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.245 -14.236 6.955 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.379 -13.296 7.585 1.00 0.00 C ATOM 0 H THR A 76 1.289 -11.886 6.374 1.00 0.00 H new ATOM 0 HA THR A 76 -1.388 -12.370 5.271 1.00 0.00 H new ATOM 0 HB THR A 76 -0.455 -12.566 8.157 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.331 -14.862 7.704 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.446 -14.001 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.880 -12.367 7.858 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.860 -13.723 6.705 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.331 -10.162 5.882 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.915 -8.869 6.214 1.00 0.00 C ATOM 1233 C ILE A 77 -4.211 -9.036 6.999 1.00 0.00 C ATOM 1234 O ILE A 77 -4.746 -10.140 7.106 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.198 -8.038 4.948 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.167 -8.783 4.028 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.901 -7.725 4.218 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.785 -7.905 2.963 1.00 0.00 C ATOM 0 H ILE A 77 -2.781 -10.640 5.102 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.186 -8.342 6.830 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.660 -7.097 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.638 -9.606 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.962 -9.223 4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.118 -7.137 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.242 -7.157 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.412 -8.656 3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.461 -8.500 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.342 -7.096 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.998 -7.485 2.336 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.712 -7.933 7.546 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.946 -7.958 8.322 1.00 0.00 C ATOM 1252 C ARG A 78 -6.982 -7.009 7.725 1.00 0.00 C ATOM 1253 O ARG A 78 -6.693 -5.840 7.468 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.667 -7.576 9.777 1.00 0.00 C ATOM 1255 CG ARG A 78 -5.046 -8.699 10.592 1.00 0.00 C ATOM 1256 CD ARG A 78 -3.579 -8.895 10.243 1.00 0.00 C ATOM 1257 NE ARG A 78 -2.856 -9.601 11.297 1.00 0.00 N ATOM 1258 CZ ARG A 78 -2.560 -9.061 12.474 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -2.923 -7.815 12.746 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -1.898 -9.767 13.382 1.00 0.00 N ATOM 0 H ARG A 78 -4.282 -7.011 7.466 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.345 -8.972 8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.001 -6.713 9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.600 -7.269 10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.142 -8.475 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.591 -9.626 10.411 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.500 -9.455 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.114 -7.924 10.072 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.562 -10.562 11.120 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.431 -7.268 12.051 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.694 -7.403 13.651 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.616 -10.725 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.671 -9.351 14.285 1.00 0.00 H new ATOM 1274 N VAL A 79 -8.190 -7.520 7.508 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.268 -6.718 6.943 1.00 0.00 C ATOM 1276 C VAL A 79 -10.437 -6.606 7.915 1.00 0.00 C ATOM 1277 O VAL A 79 -10.965 -7.613 8.385 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.774 -7.314 5.615 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.884 -6.453 5.032 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.627 -7.461 4.627 1.00 0.00 C ATOM 0 H VAL A 79 -8.446 -8.485 7.715 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.859 -5.725 6.755 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.182 -8.305 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.229 -6.889 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.714 -6.404 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.505 -5.448 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.002 -7.883 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.188 -6.483 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.869 -8.122 5.046 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.837 -5.374 8.212 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.945 -5.130 9.129 1.00 0.00 C ATOM 1292 C ASN A 80 -12.530 -3.738 8.916 1.00 0.00 C ATOM 1293 O ASN A 80 -11.887 -2.864 8.333 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.478 -5.283 10.577 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.253 -4.396 11.532 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -11.898 -3.237 11.747 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -13.319 -4.938 12.110 1.00 0.00 N ATOM 0 H ASN A 80 -10.411 -4.529 7.831 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.722 -5.866 8.925 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.587 -6.324 10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.417 -5.041 10.641 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.880 -4.389 12.762 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.576 -5.903 11.902 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.754 -3.537 9.392 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.428 -2.251 9.255 1.00 0.00 C ATOM 1306 C LEU A 81 -13.572 -1.125 9.826 1.00 0.00 C ATOM 1307 O LEU A 81 -13.004 -1.252 10.910 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.784 -2.284 9.962 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.920 -2.971 9.203 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -18.184 -3.000 10.047 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.176 -2.269 7.877 1.00 0.00 C ATOM 0 H LEU A 81 -14.300 -4.249 9.877 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.584 -2.062 8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.659 -2.786 10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.085 -1.258 10.176 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.624 -3.999 8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.982 -3.492 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.993 -3.548 10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.485 -1.980 10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.987 -2.771 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.451 -1.231 8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.273 -2.302 7.268 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.486 -0.022 9.089 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.703 1.128 9.524 1.00 0.00 C ATOM 1325 C ALA A 82 -13.179 1.635 10.881 1.00 0.00 C ATOM 1326 O ALA A 82 -14.379 1.766 11.121 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.778 2.240 8.487 1.00 0.00 C ATOM 0 H ALA A 82 -13.949 0.099 8.188 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.665 0.812 9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.189 3.093 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.383 1.879 7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.816 2.545 8.356 1.00 0.00 H new