USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-4.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -163:sc= -0.657 (180deg=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -1.07 (180deg=-1.48) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -109:sc= -0.876 (180deg=-4.66!) USER MOD Single : A 39 TYR OH : rot -141:sc= 1.25 USER MOD Single : A 52 ASN : amide:sc= -5.91 K(o=-5.9,f=-9.8!) USER MOD Single : A 55 MET CE :methyl 160:sc= -2.62! (180deg=-4.01!) USER MOD Single : A 60 GLN : amide:sc= -7.85! C(o=-7.9!,f=-9!) USER MOD Single : A 65 ASN :FLIP amide:sc= -2.69 F(o=-3.5!,f=-2.7) USER MOD Single : A 72 MET CE :methyl -157:sc= -0.545 (180deg=-1.96) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= -0.759 (180deg=-2.22!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.256 -3.920 -3.649 1.00 0.00 N ATOM 149 CA PHE A 13 9.697 -3.279 -2.416 1.00 0.00 C ATOM 150 C PHE A 13 8.508 -2.737 -1.629 1.00 0.00 C ATOM 151 O PHE A 13 7.453 -2.448 -2.194 1.00 0.00 O ATOM 152 CB PHE A 13 10.676 -2.145 -2.727 1.00 0.00 C ATOM 153 CG PHE A 13 10.034 -0.966 -3.400 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.233 -0.094 -2.681 1.00 0.00 C ATOM 155 CD2 PHE A 13 10.231 -0.729 -4.751 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.639 0.992 -3.297 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.641 0.355 -5.372 1.00 0.00 C ATOM 158 CZ PHE A 13 8.845 1.217 -4.645 1.00 0.00 C ATOM 0 HA PHE A 13 10.202 -4.029 -1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.142 -1.814 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.472 -2.528 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.071 -0.264 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.853 -1.400 -5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.015 1.663 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.803 0.528 -6.426 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.384 2.066 -5.129 1.00 0.00 H new ATOM 168 N THR A 14 8.685 -2.602 -0.318 1.00 0.00 N ATOM 169 CA THR A 14 7.628 -2.096 0.548 1.00 0.00 C ATOM 170 C THR A 14 7.781 -0.599 0.787 1.00 0.00 C ATOM 171 O THR A 14 8.850 -0.030 0.561 1.00 0.00 O ATOM 172 CB THR A 14 7.619 -2.823 1.907 1.00 0.00 C ATOM 173 OG1 THR A 14 8.886 -2.666 2.554 1.00 0.00 O ATOM 174 CG2 THR A 14 7.316 -4.303 1.727 1.00 0.00 C ATOM 0 H THR A 14 9.551 -2.836 0.167 1.00 0.00 H new ATOM 0 HA THR A 14 6.684 -2.284 0.037 1.00 0.00 H new ATOM 0 HB THR A 14 6.838 -2.381 2.526 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.872 -3.129 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.315 -4.795 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.338 -4.420 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.078 -4.756 1.092 1.00 0.00 H new ATOM 182 N VAL A 15 6.707 0.036 1.247 1.00 0.00 N ATOM 183 CA VAL A 15 6.723 1.468 1.518 1.00 0.00 C ATOM 184 C VAL A 15 6.418 1.753 2.984 1.00 0.00 C ATOM 185 O VAL A 15 5.619 1.057 3.609 1.00 0.00 O ATOM 186 CB VAL A 15 5.705 2.218 0.638 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.804 3.718 0.868 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.919 1.880 -0.829 1.00 0.00 C ATOM 0 H VAL A 15 5.815 -0.420 1.440 1.00 0.00 H new ATOM 0 HA VAL A 15 7.726 1.823 1.283 1.00 0.00 H new ATOM 0 HB VAL A 15 4.702 1.897 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.078 4.231 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.597 3.940 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.808 4.059 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.191 2.418 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.926 2.171 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.793 0.808 -0.977 1.00 0.00 H new ATOM 198 N ASP A 16 7.061 2.781 3.527 1.00 0.00 N ATOM 199 CA ASP A 16 6.857 3.160 4.921 1.00 0.00 C ATOM 200 C ASP A 16 6.705 4.672 5.056 1.00 0.00 C ATOM 201 O ASP A 16 7.642 5.426 4.796 1.00 0.00 O ATOM 202 CB ASP A 16 8.025 2.674 5.780 1.00 0.00 C ATOM 203 CG ASP A 16 7.826 2.975 7.252 1.00 0.00 C ATOM 204 OD1 ASP A 16 6.662 2.984 7.703 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.834 3.202 7.954 1.00 0.00 O ATOM 0 H ASP A 16 7.727 3.367 3.024 1.00 0.00 H new ATOM 0 HA ASP A 16 5.939 2.688 5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.149 1.599 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.946 3.146 5.437 1.00 0.00 H new ATOM 210 N MET A 17 5.517 5.108 5.463 1.00 0.00 N ATOM 211 CA MET A 17 5.242 6.530 5.633 1.00 0.00 C ATOM 212 C MET A 17 4.254 6.761 6.771 1.00 0.00 C ATOM 213 O MET A 17 3.638 5.820 7.270 1.00 0.00 O ATOM 214 CB MET A 17 4.691 7.123 4.335 1.00 0.00 C ATOM 215 CG MET A 17 5.137 6.377 3.088 1.00 0.00 C ATOM 216 SD MET A 17 4.517 7.127 1.570 1.00 0.00 S ATOM 217 CE MET A 17 2.768 7.244 1.941 1.00 0.00 C ATOM 0 H MET A 17 4.730 4.497 5.681 1.00 0.00 H new ATOM 0 HA MET A 17 6.179 7.028 5.883 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.602 7.122 4.379 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.006 8.164 4.258 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.226 6.349 3.056 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.793 5.344 3.145 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.210 7.398 1.018 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.435 6.322 2.417 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.594 8.083 2.615 1.00 0.00 H new ATOM 227 N GLU A 18 4.108 8.019 7.177 1.00 0.00 N ATOM 228 CA GLU A 18 3.195 8.371 8.258 1.00 0.00 C ATOM 229 C GLU A 18 2.090 9.297 7.757 1.00 0.00 C ATOM 230 O GLU A 18 2.145 9.797 6.633 1.00 0.00 O ATOM 231 CB GLU A 18 3.958 9.042 9.402 1.00 0.00 C ATOM 232 CG GLU A 18 4.423 8.072 10.475 1.00 0.00 C ATOM 233 CD GLU A 18 5.658 8.560 11.206 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.693 8.780 10.543 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.589 8.722 12.443 1.00 0.00 O ATOM 0 H GLU A 18 4.610 8.810 6.774 1.00 0.00 H new ATOM 0 HA GLU A 18 2.737 7.453 8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.825 9.562 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.319 9.798 9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.618 7.917 11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.634 7.105 10.019 1.00 0.00 H new ATOM 242 N LYS A 19 1.086 9.520 8.598 1.00 0.00 N ATOM 243 CA LYS A 19 -0.032 10.386 8.243 1.00 0.00 C ATOM 244 C LYS A 19 0.314 11.850 8.492 1.00 0.00 C ATOM 245 O LYS A 19 1.048 12.176 9.423 1.00 0.00 O ATOM 246 CB LYS A 19 -1.276 10.001 9.046 1.00 0.00 C ATOM 247 CG LYS A 19 -2.581 10.309 8.332 1.00 0.00 C ATOM 248 CD LYS A 19 -3.694 9.374 8.775 1.00 0.00 C ATOM 249 CE LYS A 19 -3.616 8.035 8.057 1.00 0.00 C ATOM 250 NZ LYS A 19 -4.851 7.226 8.257 1.00 0.00 N ATOM 0 H LYS A 19 1.024 9.113 9.531 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.238 10.255 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.237 8.935 9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.260 10.529 10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.871 11.341 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.437 10.220 7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.630 9.215 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.660 9.838 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.460 8.203 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.753 7.477 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.026 6.645 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.730 6.607 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.660 7.860 8.415 1.00 0.00 H new ATOM 330 N GLY A 25 -1.220 11.820 2.511 1.00 0.00 N ATOM 331 CA GLY A 25 -0.946 12.692 1.383 1.00 0.00 C ATOM 332 C GLY A 25 -0.729 11.924 0.095 1.00 0.00 C ATOM 333 O GLY A 25 0.156 12.256 -0.693 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.777 13.385 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.062 13.292 1.598 1.00 0.00 H new ATOM 337 N PHE A 26 -1.538 10.892 -0.120 1.00 0.00 N ATOM 338 CA PHE A 26 -1.429 10.072 -1.321 1.00 0.00 C ATOM 339 C PHE A 26 -2.770 9.432 -1.666 1.00 0.00 C ATOM 340 O PHE A 26 -3.479 8.939 -0.789 1.00 0.00 O ATOM 341 CB PHE A 26 -0.368 8.986 -1.128 1.00 0.00 C ATOM 342 CG PHE A 26 -0.906 7.724 -0.517 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.807 6.932 -1.211 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.510 7.328 0.750 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.304 5.771 -0.651 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.003 6.167 1.315 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.901 5.387 0.613 1.00 0.00 C ATOM 0 H PHE A 26 -2.276 10.604 0.522 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.132 10.719 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.079 8.751 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.429 9.376 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.124 7.226 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.193 7.934 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.007 5.164 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.687 5.870 2.304 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.287 4.479 1.052 1.00 0.00 H new ATOM 357 N SER A 27 -3.111 9.443 -2.951 1.00 0.00 N ATOM 358 CA SER A 27 -4.369 8.868 -3.413 1.00 0.00 C ATOM 359 C SER A 27 -4.120 7.607 -4.235 1.00 0.00 C ATOM 360 O SER A 27 -3.029 7.407 -4.769 1.00 0.00 O ATOM 361 CB SER A 27 -5.144 9.889 -4.247 1.00 0.00 C ATOM 362 OG SER A 27 -6.457 9.432 -4.521 1.00 0.00 O ATOM 0 H SER A 27 -2.534 9.844 -3.690 1.00 0.00 H new ATOM 0 HA SER A 27 -4.961 8.600 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.190 10.839 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.617 10.074 -5.183 1.00 0.00 H new ATOM 0 HG SER A 27 -6.932 10.103 -5.054 1.00 0.00 H new ATOM 368 N ILE A 28 -5.140 6.761 -4.331 1.00 0.00 N ATOM 369 CA ILE A 28 -5.033 5.520 -5.089 1.00 0.00 C ATOM 370 C ILE A 28 -6.105 5.442 -6.170 1.00 0.00 C ATOM 371 O ILE A 28 -7.027 6.256 -6.204 1.00 0.00 O ATOM 372 CB ILE A 28 -5.154 4.289 -4.171 1.00 0.00 C ATOM 373 CG1 ILE A 28 -5.954 4.638 -2.915 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.774 3.767 -3.799 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.488 3.428 -2.182 1.00 0.00 C ATOM 0 H ILE A 28 -6.049 6.912 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.049 5.519 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.685 3.504 -4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.321 5.212 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.789 5.282 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.877 2.897 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.236 3.483 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.219 4.546 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.044 3.752 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.148 2.865 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.657 2.794 -1.873 1.00 0.00 H new ATOM 387 N ARG A 29 -5.978 4.455 -7.051 1.00 0.00 N ATOM 388 CA ARG A 29 -6.936 4.270 -8.134 1.00 0.00 C ATOM 389 C ARG A 29 -7.038 2.798 -8.524 1.00 0.00 C ATOM 390 O ARG A 29 -6.192 1.986 -8.151 1.00 0.00 O ATOM 391 CB ARG A 29 -6.531 5.104 -9.351 1.00 0.00 C ATOM 392 CG ARG A 29 -5.374 4.511 -10.138 1.00 0.00 C ATOM 393 CD ARG A 29 -5.422 4.929 -11.599 1.00 0.00 C ATOM 394 NE ARG A 29 -4.210 4.545 -12.318 1.00 0.00 N ATOM 395 CZ ARG A 29 -3.800 5.136 -13.435 1.00 0.00 C ATOM 396 NH1 ARG A 29 -4.500 6.133 -13.957 1.00 0.00 N ATOM 397 NH2 ARG A 29 -2.686 4.730 -14.031 1.00 0.00 N ATOM 0 H ARG A 29 -5.221 3.771 -7.036 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.912 4.604 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.392 5.210 -10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.258 6.106 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.430 4.832 -9.697 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.405 3.424 -10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.288 4.473 -12.078 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.555 6.009 -11.663 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.648 3.781 -11.942 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.356 6.449 -13.501 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.183 6.585 -14.815 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.144 3.964 -13.632 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.372 5.184 -14.889 1.00 0.00 H new ATOM 411 N GLY A 30 -8.081 2.461 -9.277 1.00 0.00 N ATOM 412 CA GLY A 30 -8.275 1.088 -9.705 1.00 0.00 C ATOM 413 C GLY A 30 -8.846 0.214 -8.606 1.00 0.00 C ATOM 414 O GLY A 30 -9.305 0.715 -7.580 1.00 0.00 O ATOM 0 H GLY A 30 -8.795 3.115 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.945 1.070 -10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.322 0.675 -10.035 1.00 0.00 H new ATOM 418 N GLY A 31 -8.821 -1.098 -8.821 1.00 0.00 N ATOM 419 CA GLY A 31 -9.345 -2.022 -7.833 1.00 0.00 C ATOM 420 C GLY A 31 -10.336 -3.004 -8.426 1.00 0.00 C ATOM 421 O GLY A 31 -10.788 -2.833 -9.558 1.00 0.00 O ATOM 0 H GLY A 31 -8.447 -1.537 -9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.520 -2.572 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.829 -1.460 -7.035 1.00 0.00 H new ATOM 425 N ARG A 32 -10.673 -4.037 -7.661 1.00 0.00 N ATOM 426 CA ARG A 32 -11.614 -5.052 -8.118 1.00 0.00 C ATOM 427 C ARG A 32 -12.837 -4.407 -8.765 1.00 0.00 C ATOM 428 O ARG A 32 -13.404 -4.945 -9.715 1.00 0.00 O ATOM 429 CB ARG A 32 -12.050 -5.938 -6.949 1.00 0.00 C ATOM 430 CG ARG A 32 -11.107 -7.100 -6.682 1.00 0.00 C ATOM 431 CD ARG A 32 -11.251 -8.188 -7.734 1.00 0.00 C ATOM 432 NE ARG A 32 -12.535 -8.878 -7.636 1.00 0.00 N ATOM 433 CZ ARG A 32 -12.758 -10.090 -8.131 1.00 0.00 C ATOM 434 NH1 ARG A 32 -11.787 -10.743 -8.756 1.00 0.00 N ATOM 435 NH2 ARG A 32 -13.953 -10.651 -8.002 1.00 0.00 N ATOM 0 H ARG A 32 -10.308 -4.193 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.111 -5.668 -8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.125 -5.327 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.047 -6.329 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.078 -6.739 -6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.312 -7.517 -5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.151 -7.748 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.442 -8.910 -7.622 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.302 -8.403 -7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.867 -10.314 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.960 -11.674 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.702 -10.151 -7.522 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.123 -11.582 -8.383 1.00 0.00 H new ATOM 449 N GLU A 33 -13.237 -3.253 -8.242 1.00 0.00 N ATOM 450 CA GLU A 33 -14.393 -2.536 -8.768 1.00 0.00 C ATOM 451 C GLU A 33 -14.224 -2.249 -10.257 1.00 0.00 C ATOM 452 O GLU A 33 -15.174 -2.354 -11.032 1.00 0.00 O ATOM 453 CB GLU A 33 -14.599 -1.226 -8.005 1.00 0.00 C ATOM 454 CG GLU A 33 -15.806 -0.431 -8.475 1.00 0.00 C ATOM 455 CD GLU A 33 -17.085 -1.246 -8.456 1.00 0.00 C ATOM 456 OE1 GLU A 33 -17.585 -1.539 -7.350 1.00 0.00 O ATOM 457 OE2 GLU A 33 -17.585 -1.590 -9.547 1.00 0.00 O ATOM 0 H GLU A 33 -12.778 -2.794 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.271 -3.168 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.711 -1.447 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.706 -0.610 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.929 0.446 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.626 -0.068 -9.487 1.00 0.00 H new ATOM 464 N TYR A 34 -13.008 -1.887 -10.649 1.00 0.00 N ATOM 465 CA TYR A 34 -12.713 -1.581 -12.044 1.00 0.00 C ATOM 466 C TYR A 34 -11.940 -2.721 -12.699 1.00 0.00 C ATOM 467 O TYR A 34 -11.313 -2.542 -13.744 1.00 0.00 O ATOM 468 CB TYR A 34 -11.913 -0.282 -12.146 1.00 0.00 C ATOM 469 CG TYR A 34 -12.389 0.798 -11.201 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.485 1.592 -11.517 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.743 1.026 -9.992 1.00 0.00 C ATOM 472 CE1 TYR A 34 -13.924 2.580 -10.658 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.175 2.011 -9.126 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.266 2.786 -9.463 1.00 0.00 C ATOM 475 OH TYR A 34 -13.699 3.769 -8.603 1.00 0.00 O ATOM 0 H TYR A 34 -12.210 -1.798 -10.020 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.659 -1.458 -12.570 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.863 -0.495 -11.942 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.970 0.091 -13.169 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.003 1.433 -12.451 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.888 0.422 -9.725 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.777 3.188 -10.920 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.662 2.174 -8.190 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.498 3.508 -7.680 1.00 0.00 H new ATOM 485 N LYS A 35 -11.988 -3.895 -12.078 1.00 0.00 N ATOM 486 CA LYS A 35 -11.295 -5.066 -12.600 1.00 0.00 C ATOM 487 C LYS A 35 -9.842 -4.737 -12.929 1.00 0.00 C ATOM 488 O LYS A 35 -9.344 -5.085 -13.999 1.00 0.00 O ATOM 489 CB LYS A 35 -12.005 -5.591 -13.849 1.00 0.00 C ATOM 490 CG LYS A 35 -13.430 -6.049 -13.590 1.00 0.00 C ATOM 491 CD LYS A 35 -13.466 -7.307 -12.739 1.00 0.00 C ATOM 492 CE LYS A 35 -14.847 -7.944 -12.743 1.00 0.00 C ATOM 493 NZ LYS A 35 -14.995 -8.955 -11.660 1.00 0.00 N ATOM 0 H LYS A 35 -12.500 -4.060 -11.212 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.309 -5.838 -11.830 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.016 -4.808 -14.607 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.433 -6.424 -14.259 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.983 -5.254 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.931 -6.237 -14.540 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.733 -8.022 -13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.180 -7.064 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.604 -7.169 -12.623 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.026 -8.417 -13.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.950 -9.366 -11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.289 -9.708 -11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.850 -8.499 -10.737 1.00 0.00 H new ATOM 507 N MET A 36 -9.167 -4.065 -12.002 1.00 0.00 N ATOM 508 CA MET A 36 -7.771 -3.691 -12.194 1.00 0.00 C ATOM 509 C MET A 36 -7.045 -3.594 -10.856 1.00 0.00 C ATOM 510 O MET A 36 -7.670 -3.637 -9.796 1.00 0.00 O ATOM 511 CB MET A 36 -7.675 -2.357 -12.937 1.00 0.00 C ATOM 512 CG MET A 36 -8.322 -1.200 -12.194 1.00 0.00 C ATOM 513 SD MET A 36 -8.781 0.158 -13.288 1.00 0.00 S ATOM 514 CE MET A 36 -7.550 1.381 -12.843 1.00 0.00 C ATOM 0 H MET A 36 -9.564 -3.768 -11.111 1.00 0.00 H new ATOM 0 HA MET A 36 -7.292 -4.467 -12.792 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.625 -2.123 -13.113 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.147 -2.460 -13.914 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.210 -1.559 -11.674 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.634 -0.832 -11.433 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.026 2.192 -12.291 1.00 0.00 H new ATOM 0 HE2 MET A 36 -6.785 0.918 -12.220 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.089 1.779 -13.747 1.00 0.00 H new ATOM 524 N ASP A 37 -5.724 -3.465 -10.912 1.00 0.00 N ATOM 525 CA ASP A 37 -4.914 -3.361 -9.704 1.00 0.00 C ATOM 526 C ASP A 37 -5.007 -1.961 -9.106 1.00 0.00 C ATOM 527 O ASP A 37 -5.557 -1.047 -9.721 1.00 0.00 O ATOM 528 CB ASP A 37 -3.455 -3.701 -10.013 1.00 0.00 C ATOM 529 CG ASP A 37 -3.322 -4.741 -11.108 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.903 -5.837 -10.960 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.637 -4.459 -12.113 1.00 0.00 O ATOM 0 H ASP A 37 -5.191 -3.430 -11.781 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.299 -4.074 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.929 -2.794 -10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.971 -4.067 -9.108 1.00 0.00 H new ATOM 536 N LEU A 38 -4.468 -1.801 -7.902 1.00 0.00 N ATOM 537 CA LEU A 38 -4.491 -0.512 -7.219 1.00 0.00 C ATOM 538 C LEU A 38 -3.206 0.266 -7.481 1.00 0.00 C ATOM 539 O LEU A 38 -2.109 -0.212 -7.192 1.00 0.00 O ATOM 540 CB LEU A 38 -4.681 -0.714 -5.714 1.00 0.00 C ATOM 541 CG LEU A 38 -6.021 -1.309 -5.281 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.852 -2.144 -4.021 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.047 -0.208 -5.059 1.00 0.00 C ATOM 0 H LEU A 38 -4.010 -2.547 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.329 0.065 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.884 -1.363 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.557 0.250 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.382 -1.959 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.816 -2.559 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.151 -2.956 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.468 -1.516 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.995 -0.650 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.693 0.468 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.190 0.348 -5.985 1.00 0.00 H new ATOM 555 N TYR A 39 -3.349 1.468 -8.027 1.00 0.00 N ATOM 556 CA TYR A 39 -2.200 2.313 -8.328 1.00 0.00 C ATOM 557 C TYR A 39 -2.316 3.662 -7.624 1.00 0.00 C ATOM 558 O TYR A 39 -3.371 4.011 -7.094 1.00 0.00 O ATOM 559 CB TYR A 39 -2.076 2.523 -9.838 1.00 0.00 C ATOM 560 CG TYR A 39 -2.453 1.305 -10.651 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.785 0.994 -10.896 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.478 0.465 -11.174 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.134 -0.118 -11.637 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.818 -0.648 -11.918 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.147 -0.935 -12.147 1.00 0.00 C ATOM 566 OH TYR A 39 -3.490 -2.044 -12.886 1.00 0.00 O ATOM 0 H TYR A 39 -4.250 1.879 -8.270 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.305 1.809 -7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.711 3.358 -10.134 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.050 2.804 -10.074 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.561 1.633 -10.500 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.436 0.686 -10.996 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.174 -0.346 -11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.047 -1.290 -12.318 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.890 -2.785 -12.661 1.00 0.00 H new ATOM 576 N VAL A 40 -1.222 4.418 -7.623 1.00 0.00 N ATOM 577 CA VAL A 40 -1.200 5.729 -6.987 1.00 0.00 C ATOM 578 C VAL A 40 -1.803 6.793 -7.897 1.00 0.00 C ATOM 579 O VAL A 40 -1.164 7.249 -8.846 1.00 0.00 O ATOM 580 CB VAL A 40 0.234 6.146 -6.610 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.226 7.464 -5.850 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.908 5.054 -5.792 1.00 0.00 C ATOM 0 H VAL A 40 -0.340 4.144 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.799 5.649 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 40 0.805 6.287 -7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.248 7.742 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.215 8.241 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.361 7.355 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.920 5.365 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.338 4.879 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.949 4.135 -6.376 1.00 0.00 H new ATOM 592 N LEU A 41 -3.038 7.184 -7.603 1.00 0.00 N ATOM 593 CA LEU A 41 -3.730 8.195 -8.395 1.00 0.00 C ATOM 594 C LEU A 41 -2.908 9.477 -8.478 1.00 0.00 C ATOM 595 O LEU A 41 -2.475 9.880 -9.558 1.00 0.00 O ATOM 596 CB LEU A 41 -5.103 8.494 -7.791 1.00 0.00 C ATOM 597 CG LEU A 41 -6.063 9.297 -8.670 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.423 10.608 -9.098 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.480 8.482 -9.885 1.00 0.00 C ATOM 0 H LEU A 41 -3.581 6.816 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.862 7.803 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.580 7.547 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.956 9.037 -6.857 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.956 9.526 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.120 11.166 -9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.175 11.197 -8.215 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.514 10.402 -9.663 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.163 9.068 -10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.597 8.223 -10.470 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.979 7.570 -9.558 1.00 0.00 H new ATOM 611 N ARG A 42 -2.695 10.113 -7.331 1.00 0.00 N ATOM 612 CA ARG A 42 -1.924 11.349 -7.274 1.00 0.00 C ATOM 613 C ARG A 42 -1.286 11.529 -5.899 1.00 0.00 C ATOM 614 O ARG A 42 -1.810 11.050 -4.893 1.00 0.00 O ATOM 615 CB ARG A 42 -2.819 12.549 -7.593 1.00 0.00 C ATOM 616 CG ARG A 42 -2.325 13.854 -6.993 1.00 0.00 C ATOM 617 CD ARG A 42 -2.843 14.047 -5.576 1.00 0.00 C ATOM 618 NE ARG A 42 -4.210 14.560 -5.558 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.524 15.824 -5.821 1.00 0.00 C ATOM 620 NH1 ARG A 42 -3.573 16.698 -6.120 1.00 0.00 N ATOM 621 NH2 ARG A 42 -5.791 16.215 -5.784 1.00 0.00 N ATOM 0 H ARG A 42 -3.046 9.793 -6.428 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.131 11.287 -8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.890 12.661 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.826 12.348 -7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.235 13.864 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.648 14.688 -7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.806 13.096 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.190 14.737 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.965 13.913 -5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.598 16.401 -6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.817 17.668 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.525 15.545 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.031 17.185 -5.986 1.00 0.00 H new ATOM 635 N LEU A 43 -0.153 12.221 -5.865 1.00 0.00 N ATOM 636 CA LEU A 43 0.558 12.464 -4.615 1.00 0.00 C ATOM 637 C LEU A 43 0.349 13.899 -4.140 1.00 0.00 C ATOM 638 O LEU A 43 0.215 14.817 -4.947 1.00 0.00 O ATOM 639 CB LEU A 43 2.051 12.186 -4.792 1.00 0.00 C ATOM 640 CG LEU A 43 2.510 10.761 -4.478 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.991 10.598 -4.782 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.222 10.416 -3.024 1.00 0.00 C ATOM 0 H LEU A 43 0.293 12.624 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 43 0.156 11.788 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.323 12.415 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.606 12.874 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 43 1.952 10.072 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.299 9.578 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.170 10.803 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.566 11.296 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.555 9.399 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.754 11.110 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.151 10.492 -2.837 1.00 0.00 H new ATOM 654 N ALA A 44 0.324 14.083 -2.824 1.00 0.00 N ATOM 655 CA ALA A 44 0.137 15.406 -2.241 1.00 0.00 C ATOM 656 C ALA A 44 1.463 16.151 -2.131 1.00 0.00 C ATOM 657 O ALA A 44 2.379 15.706 -1.440 1.00 0.00 O ATOM 658 CB ALA A 44 -0.522 15.292 -0.874 1.00 0.00 C ATOM 0 H ALA A 44 0.431 13.333 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.516 15.977 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.656 16.287 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.493 14.808 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.110 14.698 -0.214 1.00 0.00 H new ATOM 664 N GLU A 45 1.557 17.285 -2.818 1.00 0.00 N ATOM 665 CA GLU A 45 2.773 18.090 -2.797 1.00 0.00 C ATOM 666 C GLU A 45 3.081 18.575 -1.384 1.00 0.00 C ATOM 667 O GLU A 45 4.218 18.932 -1.072 1.00 0.00 O ATOM 668 CB GLU A 45 2.634 19.287 -3.740 1.00 0.00 C ATOM 669 CG GLU A 45 1.706 20.370 -3.216 1.00 0.00 C ATOM 670 CD GLU A 45 1.560 21.530 -4.182 1.00 0.00 C ATOM 671 OE1 GLU A 45 0.653 21.479 -5.039 1.00 0.00 O ATOM 672 OE2 GLU A 45 2.352 22.490 -4.079 1.00 0.00 O ATOM 0 H GLU A 45 0.807 17.667 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 45 3.599 17.464 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.620 19.718 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.264 18.938 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.724 19.939 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.087 20.740 -2.264 1.00 0.00 H new ATOM 679 N ASP A 46 2.061 18.586 -0.533 1.00 0.00 N ATOM 680 CA ASP A 46 2.221 19.026 0.848 1.00 0.00 C ATOM 681 C ASP A 46 1.950 17.881 1.818 1.00 0.00 C ATOM 682 O ASP A 46 1.466 18.096 2.929 1.00 0.00 O ATOM 683 CB ASP A 46 1.282 20.196 1.145 1.00 0.00 C ATOM 684 CG ASP A 46 1.558 20.832 2.493 1.00 0.00 C ATOM 685 OD1 ASP A 46 2.731 21.164 2.764 1.00 0.00 O ATOM 686 OD2 ASP A 46 0.601 20.999 3.277 1.00 0.00 O ATOM 0 H ASP A 46 1.114 18.295 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 46 3.252 19.355 0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.386 20.949 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.250 19.846 1.116 1.00 0.00 H new ATOM 691 N GLY A 47 2.265 16.662 1.390 1.00 0.00 N ATOM 692 CA GLY A 47 2.047 15.501 2.233 1.00 0.00 C ATOM 693 C GLY A 47 3.319 14.714 2.477 1.00 0.00 C ATOM 694 O GLY A 47 4.323 14.886 1.785 1.00 0.00 O ATOM 0 H GLY A 47 2.667 16.458 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.634 15.823 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.306 14.852 1.767 1.00 0.00 H new ATOM 698 N PRO A 48 3.288 13.828 3.483 1.00 0.00 N ATOM 699 CA PRO A 48 4.441 12.995 3.840 1.00 0.00 C ATOM 700 C PRO A 48 4.738 11.935 2.786 1.00 0.00 C ATOM 701 O PRO A 48 5.864 11.448 2.682 1.00 0.00 O ATOM 702 CB PRO A 48 4.009 12.337 5.153 1.00 0.00 C ATOM 703 CG PRO A 48 2.520 12.330 5.102 1.00 0.00 C ATOM 704 CD PRO A 48 2.126 13.570 4.350 1.00 0.00 C ATOM 0 HA PRO A 48 5.357 13.580 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.407 11.326 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.373 12.897 6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.151 11.435 4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.095 12.331 6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.217 13.415 3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.935 14.405 5.024 1.00 0.00 H new ATOM 712 N ALA A 49 3.722 11.581 2.005 1.00 0.00 N ATOM 713 CA ALA A 49 3.877 10.580 0.957 1.00 0.00 C ATOM 714 C ALA A 49 4.823 11.069 -0.134 1.00 0.00 C ATOM 715 O ALA A 49 5.808 10.405 -0.458 1.00 0.00 O ATOM 716 CB ALA A 49 2.522 10.224 0.363 1.00 0.00 C ATOM 0 H ALA A 49 2.783 11.973 2.079 1.00 0.00 H new ATOM 0 HA ALA A 49 4.312 9.686 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.653 9.475 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.876 9.824 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.065 11.117 -0.063 1.00 0.00 H new ATOM 722 N ILE A 50 4.517 12.233 -0.698 1.00 0.00 N ATOM 723 CA ILE A 50 5.340 12.810 -1.753 1.00 0.00 C ATOM 724 C ILE A 50 6.775 13.016 -1.279 1.00 0.00 C ATOM 725 O ILE A 50 7.691 13.167 -2.088 1.00 0.00 O ATOM 726 CB ILE A 50 4.773 14.158 -2.236 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.399 14.548 -3.577 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.019 15.240 -1.196 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.638 15.633 -4.306 1.00 0.00 C ATOM 0 H ILE A 50 3.705 12.795 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 50 5.331 12.103 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 50 3.697 14.054 -2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.422 14.884 -3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.455 13.665 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.612 16.186 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.530 14.964 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.091 15.346 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.139 15.859 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.622 15.293 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.604 16.531 -3.689 1.00 0.00 H new ATOM 741 N ARG A 51 6.963 13.019 0.037 1.00 0.00 N ATOM 742 CA ARG A 51 8.287 13.206 0.618 1.00 0.00 C ATOM 743 C ARG A 51 8.946 11.862 0.913 1.00 0.00 C ATOM 744 O ARG A 51 10.161 11.780 1.087 1.00 0.00 O ATOM 745 CB ARG A 51 8.191 14.031 1.903 1.00 0.00 C ATOM 746 CG ARG A 51 7.611 15.420 1.693 1.00 0.00 C ATOM 747 CD ARG A 51 7.391 16.138 3.016 1.00 0.00 C ATOM 748 NE ARG A 51 6.048 15.915 3.543 1.00 0.00 N ATOM 749 CZ ARG A 51 5.547 16.574 4.582 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.276 17.492 5.202 1.00 0.00 N ATOM 751 NH2 ARG A 51 4.316 16.315 5.004 1.00 0.00 N ATOM 0 H ARG A 51 6.216 12.894 0.720 1.00 0.00 H new ATOM 0 HA ARG A 51 8.901 13.742 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.575 13.494 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.185 14.124 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.284 16.006 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.665 15.343 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.127 15.793 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.554 17.207 2.880 1.00 0.00 H new ATOM 0 HE ARG A 51 5.462 15.215 3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.223 17.693 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.890 17.997 6.000 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.753 15.609 4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.933 16.822 5.802 1.00 0.00 H new ATOM 765 N ASN A 52 8.135 10.810 0.967 1.00 0.00 N ATOM 766 CA ASN A 52 8.640 9.469 1.241 1.00 0.00 C ATOM 767 C ASN A 52 9.572 9.001 0.128 1.00 0.00 C ATOM 768 O ASN A 52 10.720 8.635 0.378 1.00 0.00 O ATOM 769 CB ASN A 52 7.477 8.487 1.395 1.00 0.00 C ATOM 770 CG ASN A 52 7.796 7.119 0.822 1.00 0.00 C ATOM 771 OD1 ASN A 52 8.798 6.501 1.184 1.00 0.00 O ATOM 772 ND2 ASN A 52 6.944 6.641 -0.077 1.00 0.00 N ATOM 0 H ASN A 52 7.126 10.860 0.825 1.00 0.00 H new ATOM 0 HA ASN A 52 9.205 9.503 2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.227 8.386 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.596 8.890 0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.107 5.726 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.127 7.188 -0.347 1.00 0.00 H new ATOM 779 N GLY A 53 9.070 9.015 -1.103 1.00 0.00 N ATOM 780 CA GLY A 53 9.871 8.590 -2.236 1.00 0.00 C ATOM 781 C GLY A 53 9.626 7.141 -2.609 1.00 0.00 C ATOM 782 O GLY A 53 9.309 6.834 -3.758 1.00 0.00 O ATOM 0 H GLY A 53 8.123 9.313 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.648 9.225 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.927 8.728 -2.003 1.00 0.00 H new ATOM 786 N ARG A 54 9.774 6.249 -1.635 1.00 0.00 N ATOM 787 CA ARG A 54 9.569 4.824 -1.867 1.00 0.00 C ATOM 788 C ARG A 54 8.407 4.591 -2.828 1.00 0.00 C ATOM 789 O ARG A 54 8.406 3.629 -3.595 1.00 0.00 O ATOM 790 CB ARG A 54 9.304 4.103 -0.545 1.00 0.00 C ATOM 791 CG ARG A 54 10.542 3.945 0.322 1.00 0.00 C ATOM 792 CD ARG A 54 10.279 3.033 1.510 1.00 0.00 C ATOM 793 NE ARG A 54 11.487 2.790 2.293 1.00 0.00 N ATOM 794 CZ ARG A 54 12.075 3.716 3.043 1.00 0.00 C ATOM 795 NH1 ARG A 54 11.568 4.939 3.111 1.00 0.00 N ATOM 796 NH2 ARG A 54 13.173 3.419 3.726 1.00 0.00 N ATOM 0 H ARG A 54 10.035 6.488 -0.678 1.00 0.00 H new ATOM 0 HA ARG A 54 10.476 4.421 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.547 4.654 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.890 3.117 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.357 3.538 -0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.865 4.923 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.517 3.481 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.880 2.083 1.156 1.00 0.00 H new ATOM 0 HE ARG A 54 11.902 1.859 2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.724 5.171 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.021 5.648 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.566 2.479 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.624 4.130 4.301 1.00 0.00 H new ATOM 810 N MET A 55 7.419 5.478 -2.779 1.00 0.00 N ATOM 811 CA MET A 55 6.251 5.369 -3.646 1.00 0.00 C ATOM 812 C MET A 55 6.050 6.649 -4.452 1.00 0.00 C ATOM 813 O MET A 55 6.406 7.739 -4.002 1.00 0.00 O ATOM 814 CB MET A 55 5.000 5.074 -2.817 1.00 0.00 C ATOM 815 CG MET A 55 4.309 6.322 -2.292 1.00 0.00 C ATOM 816 SD MET A 55 3.271 7.116 -3.534 1.00 0.00 S ATOM 817 CE MET A 55 1.642 6.834 -2.844 1.00 0.00 C ATOM 0 H MET A 55 7.403 6.280 -2.149 1.00 0.00 H new ATOM 0 HA MET A 55 6.421 4.546 -4.340 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.296 4.508 -3.427 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.274 4.439 -1.974 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.698 6.058 -1.428 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.061 7.031 -1.946 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.936 7.542 -3.277 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.322 5.817 -3.071 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.676 6.970 -1.763 1.00 0.00 H new ATOM 827 N ARG A 56 5.479 6.509 -5.644 1.00 0.00 N ATOM 828 CA ARG A 56 5.233 7.654 -6.512 1.00 0.00 C ATOM 829 C ARG A 56 3.905 7.504 -7.247 1.00 0.00 C ATOM 830 O ARG A 56 3.178 6.530 -7.045 1.00 0.00 O ATOM 831 CB ARG A 56 6.372 7.809 -7.522 1.00 0.00 C ATOM 832 CG ARG A 56 7.469 8.756 -7.062 1.00 0.00 C ATOM 833 CD ARG A 56 8.512 8.035 -6.223 1.00 0.00 C ATOM 834 NE ARG A 56 9.839 8.626 -6.374 1.00 0.00 N ATOM 835 CZ ARG A 56 10.968 7.964 -6.146 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.931 6.696 -5.760 1.00 0.00 N ATOM 837 NH2 ARG A 56 12.138 8.570 -6.305 1.00 0.00 N ATOM 0 H ARG A 56 5.178 5.614 -6.030 1.00 0.00 H new ATOM 0 HA ARG A 56 5.185 8.547 -5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.808 6.829 -7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.963 8.171 -8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.948 9.208 -7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.031 9.567 -6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.218 8.066 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.548 6.985 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 56 9.902 9.600 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.034 6.226 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.800 6.190 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.171 9.545 -6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.004 8.061 -6.130 1.00 0.00 H new ATOM 851 N VAL A 57 3.592 8.475 -8.100 1.00 0.00 N ATOM 852 CA VAL A 57 2.352 8.450 -8.865 1.00 0.00 C ATOM 853 C VAL A 57 2.507 7.623 -10.136 1.00 0.00 C ATOM 854 O VAL A 57 3.372 7.897 -10.966 1.00 0.00 O ATOM 855 CB VAL A 57 1.898 9.872 -9.243 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.628 9.823 -10.079 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.691 10.715 -7.994 1.00 0.00 C ATOM 0 H VAL A 57 4.181 9.289 -8.278 1.00 0.00 H new ATOM 0 HA VAL A 57 1.596 7.992 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 57 2.681 10.337 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.323 10.837 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.815 9.258 -10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.165 9.339 -9.508 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.370 11.717 -8.280 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.927 10.255 -7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.627 10.778 -7.439 1.00 0.00 H new ATOM 867 N GLY A 58 1.660 6.608 -10.282 1.00 0.00 N ATOM 868 CA GLY A 58 1.719 5.756 -11.455 1.00 0.00 C ATOM 869 C GLY A 58 2.081 4.324 -11.114 1.00 0.00 C ATOM 870 O GLY A 58 1.610 3.387 -11.759 1.00 0.00 O ATOM 0 H GLY A 58 0.934 6.361 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.754 5.773 -11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.453 6.156 -12.154 1.00 0.00 H new ATOM 874 N ASP A 59 2.920 4.153 -10.099 1.00 0.00 N ATOM 875 CA ASP A 59 3.346 2.825 -9.673 1.00 0.00 C ATOM 876 C ASP A 59 2.142 1.912 -9.459 1.00 0.00 C ATOM 877 O ASP A 59 1.000 2.369 -9.444 1.00 0.00 O ATOM 878 CB ASP A 59 4.167 2.917 -8.387 1.00 0.00 C ATOM 879 CG ASP A 59 5.387 3.803 -8.541 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.221 3.516 -9.425 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.509 4.784 -7.777 1.00 0.00 O ATOM 0 H ASP A 59 3.319 4.918 -9.555 1.00 0.00 H new ATOM 0 HA ASP A 59 3.968 2.399 -10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.539 3.305 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.483 1.917 -8.089 1.00 0.00 H new ATOM 886 N GLN A 60 2.408 0.620 -9.296 1.00 0.00 N ATOM 887 CA GLN A 60 1.347 -0.357 -9.084 1.00 0.00 C ATOM 888 C GLN A 60 1.485 -1.025 -7.720 1.00 0.00 C ATOM 889 O GLN A 60 2.510 -1.638 -7.420 1.00 0.00 O ATOM 890 CB GLN A 60 1.372 -1.416 -10.188 1.00 0.00 C ATOM 891 CG GLN A 60 0.225 -2.410 -10.104 1.00 0.00 C ATOM 892 CD GLN A 60 0.491 -3.526 -9.114 1.00 0.00 C ATOM 893 OE1 GLN A 60 1.591 -4.078 -9.064 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.516 -3.865 -8.318 1.00 0.00 N ATOM 0 H GLN A 60 3.349 0.226 -9.307 1.00 0.00 H new ATOM 0 HA GLN A 60 0.393 0.169 -9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.341 -0.919 -11.158 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.316 -1.958 -10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.686 -1.884 -9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.048 -2.839 -11.090 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.411 -3.381 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.395 -4.609 -7.631 1.00 0.00 H new ATOM 903 N ILE A 61 0.448 -0.903 -6.899 1.00 0.00 N ATOM 904 CA ILE A 61 0.455 -1.495 -5.567 1.00 0.00 C ATOM 905 C ILE A 61 -0.181 -2.881 -5.579 1.00 0.00 C ATOM 906 O ILE A 61 -1.293 -3.061 -6.078 1.00 0.00 O ATOM 907 CB ILE A 61 -0.292 -0.609 -4.553 1.00 0.00 C ATOM 908 CG1 ILE A 61 0.177 0.843 -4.668 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.081 -1.129 -3.139 1.00 0.00 C ATOM 910 CD1 ILE A 61 -0.881 1.852 -4.284 1.00 0.00 C ATOM 0 H ILE A 61 -0.408 -0.400 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 61 1.499 -1.579 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.358 -0.645 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.051 0.985 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.494 1.034 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.615 -0.492 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.459 -2.149 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.983 -1.119 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.478 2.859 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.747 1.737 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.182 1.688 -3.249 1.00 0.00 H new ATOM 922 N ILE A 62 0.530 -3.857 -5.026 1.00 0.00 N ATOM 923 CA ILE A 62 0.034 -5.227 -4.970 1.00 0.00 C ATOM 924 C ILE A 62 -0.376 -5.606 -3.551 1.00 0.00 C ATOM 925 O ILE A 62 -1.148 -6.542 -3.348 1.00 0.00 O ATOM 926 CB ILE A 62 1.091 -6.229 -5.472 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.499 -5.683 -5.229 1.00 0.00 C ATOM 928 CG2 ILE A 62 0.879 -6.527 -6.949 1.00 0.00 C ATOM 929 CD1 ILE A 62 2.977 -4.742 -6.312 1.00 0.00 C ATOM 0 H ILE A 62 1.452 -3.725 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.838 -5.274 -5.622 1.00 0.00 H new ATOM 0 HB ILE A 62 0.982 -7.159 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.518 -5.162 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.195 -6.518 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.633 -7.236 -7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.113 -6.954 -7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.964 -5.604 -7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.982 -4.394 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.991 -5.265 -7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.303 -3.888 -6.375 1.00 0.00 H new ATOM 941 N GLU A 63 0.144 -4.869 -2.574 1.00 0.00 N ATOM 942 CA GLU A 63 -0.170 -5.128 -1.174 1.00 0.00 C ATOM 943 C GLU A 63 -0.407 -3.823 -0.419 1.00 0.00 C ATOM 944 O GLU A 63 0.185 -2.792 -0.740 1.00 0.00 O ATOM 945 CB GLU A 63 0.962 -5.916 -0.511 1.00 0.00 C ATOM 946 CG GLU A 63 0.564 -6.564 0.804 1.00 0.00 C ATOM 947 CD GLU A 63 1.528 -7.652 1.234 1.00 0.00 C ATOM 948 OE1 GLU A 63 1.686 -8.635 0.480 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.125 -7.521 2.323 1.00 0.00 O ATOM 0 H GLU A 63 0.784 -4.089 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.084 -5.720 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.306 -6.689 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.805 -5.247 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.514 -5.801 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.436 -6.987 0.708 1.00 0.00 H new ATOM 956 N ILE A 64 -1.276 -3.876 0.585 1.00 0.00 N ATOM 957 CA ILE A 64 -1.590 -2.699 1.385 1.00 0.00 C ATOM 958 C ILE A 64 -1.756 -3.064 2.857 1.00 0.00 C ATOM 959 O ILE A 64 -2.568 -3.918 3.207 1.00 0.00 O ATOM 960 CB ILE A 64 -2.875 -2.009 0.891 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.696 -1.519 -0.547 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.241 -0.852 1.809 1.00 0.00 C ATOM 963 CD1 ILE A 64 -3.937 -0.876 -1.125 1.00 0.00 C ATOM 0 H ILE A 64 -1.775 -4.721 0.863 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.753 -2.010 1.276 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.689 -2.733 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.876 -0.801 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.406 -2.361 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.151 -0.374 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.405 -1.227 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.429 -0.125 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.737 -0.553 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.754 -1.598 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.216 -0.014 -0.519 1.00 0.00 H new ATOM 975 N ASN A 65 -0.980 -2.408 3.714 1.00 0.00 N ATOM 976 CA ASN A 65 -1.041 -2.662 5.149 1.00 0.00 C ATOM 977 C ASN A 65 -0.974 -4.158 5.440 1.00 0.00 C ATOM 978 O ASN A 65 -1.720 -4.674 6.271 1.00 0.00 O ATOM 979 CB ASN A 65 -2.326 -2.074 5.737 1.00 0.00 C ATOM 980 CG ASN A 65 -2.146 -0.642 6.202 1.00 0.00 C ATOM 981 OD1 ASN A 65 -3.128 0.203 5.908 1.00 0.00 O flip ATOM 982 ND2 ASN A 65 -1.137 -0.299 6.818 1.00 0.00 N flip ATOM 0 H ASN A 65 -0.302 -1.697 3.440 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.181 -2.180 5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.116 -2.113 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.652 -2.688 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.407 -0.982 7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.031 0.668 7.124 1.00 0.00 H new ATOM 1072 N MET A 72 -9.611 -7.105 -3.742 1.00 0.00 N ATOM 1073 CA MET A 72 -10.103 -5.961 -2.984 1.00 0.00 C ATOM 1074 C MET A 72 -10.607 -4.866 -3.918 1.00 0.00 C ATOM 1075 O MET A 72 -10.207 -4.794 -5.081 1.00 0.00 O ATOM 1076 CB MET A 72 -9.000 -5.409 -2.080 1.00 0.00 C ATOM 1077 CG MET A 72 -8.245 -6.484 -1.315 1.00 0.00 C ATOM 1078 SD MET A 72 -7.525 -5.869 0.220 1.00 0.00 S ATOM 1079 CE MET A 72 -6.735 -4.368 -0.355 1.00 0.00 C ATOM 0 HA MET A 72 -10.935 -6.297 -2.366 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.294 -4.843 -2.687 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.440 -4.710 -1.369 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.923 -7.308 -1.090 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.454 -6.886 -1.947 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.934 -4.093 0.331 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.321 -4.533 -1.350 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.469 -3.563 -0.397 1.00 0.00 H new ATOM 1089 N THR A 73 -11.488 -4.014 -3.403 1.00 0.00 N ATOM 1090 CA THR A 73 -12.048 -2.924 -4.192 1.00 0.00 C ATOM 1091 C THR A 73 -11.471 -1.580 -3.761 1.00 0.00 C ATOM 1092 O THR A 73 -11.170 -1.371 -2.585 1.00 0.00 O ATOM 1093 CB THR A 73 -13.583 -2.873 -4.070 1.00 0.00 C ATOM 1094 OG1 THR A 73 -13.961 -2.737 -2.695 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.214 -4.128 -4.654 1.00 0.00 C ATOM 0 H THR A 73 -11.829 -4.058 -2.443 1.00 0.00 H new ATOM 0 HA THR A 73 -11.779 -3.116 -5.231 1.00 0.00 H new ATOM 0 HB THR A 73 -13.942 -2.010 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.938 -2.704 -2.626 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.298 -4.069 -4.557 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.948 -4.212 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.848 -5.003 -4.117 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.318 -0.672 -4.719 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.777 0.653 -4.437 1.00 0.00 C ATOM 1105 C HIS A 74 -11.211 1.135 -3.056 1.00 0.00 C ATOM 1106 O HIS A 74 -10.451 1.801 -2.354 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.231 1.650 -5.504 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.391 2.888 -5.563 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.704 3.973 -6.355 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.245 3.212 -4.920 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.785 4.909 -6.198 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.889 4.473 -5.332 1.00 0.00 N ATOM 0 H HIS A 74 -11.561 -0.829 -5.697 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.689 0.585 -4.453 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.212 1.161 -6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.266 1.932 -5.309 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.518 4.042 -6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.710 2.594 -4.214 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.769 5.868 -6.694 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.437 0.794 -2.675 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.972 1.190 -1.378 1.00 0.00 C ATOM 1123 C ALA A 75 -12.138 0.611 -0.240 1.00 0.00 C ATOM 1124 O ALA A 75 -11.673 1.341 0.636 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.423 0.751 -1.248 1.00 0.00 C ATOM 0 H ALA A 75 -13.079 0.244 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.926 2.277 -1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.809 1.054 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.016 1.218 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.485 -0.333 -1.342 1.00 0.00 H new ATOM 1131 N ARG A 76 -11.953 -0.705 -0.259 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.177 -1.382 0.773 1.00 0.00 C ATOM 1133 C ARG A 76 -9.855 -0.662 1.020 1.00 0.00 C ATOM 1134 O ARG A 76 -9.549 -0.273 2.146 1.00 0.00 O ATOM 1135 CB ARG A 76 -10.912 -2.834 0.371 1.00 0.00 C ATOM 1136 CG ARG A 76 -9.876 -3.528 1.241 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.255 -3.467 2.713 1.00 0.00 C ATOM 1138 NE ARG A 76 -9.767 -4.628 3.452 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.304 -5.055 4.589 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.343 -4.420 5.114 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -9.804 -6.120 5.203 1.00 0.00 N ATOM 0 H ARG A 76 -12.330 -1.323 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.756 -1.367 1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.847 -3.392 0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.579 -2.860 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.778 -4.569 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.903 -3.059 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.847 -2.558 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.339 -3.408 2.806 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.969 -5.139 3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.731 -3.602 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.754 -4.750 5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.006 -6.612 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.218 -6.446 6.076 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.075 -0.488 -0.042 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.787 0.187 0.059 1.00 0.00 C ATOM 1157 C ALA A 77 -7.918 1.512 0.801 1.00 0.00 C ATOM 1158 O ALA A 77 -7.147 1.801 1.717 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.198 0.411 -1.327 1.00 0.00 C ATOM 0 H ALA A 77 -9.313 -0.805 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.113 -0.453 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.236 0.916 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.058 -0.550 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.877 1.027 -1.916 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.897 2.315 0.399 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.129 3.610 1.027 1.00 0.00 C ATOM 1167 C ILE A 78 -9.456 3.453 2.508 1.00 0.00 C ATOM 1168 O ILE A 78 -9.303 4.390 3.290 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.276 4.373 0.338 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -10.001 4.507 -1.161 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.458 5.743 0.974 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.136 5.697 -1.512 1.00 0.00 C ATOM 0 H ILE A 78 -9.542 2.092 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.207 4.182 0.920 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.199 3.808 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.516 3.598 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.950 4.589 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.272 6.270 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.695 5.625 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.537 6.317 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.982 5.730 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.629 6.613 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.172 5.607 -1.011 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.904 2.260 2.886 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.252 1.979 4.274 1.00 0.00 C ATOM 1186 C GLU A 79 -9.040 1.460 5.043 1.00 0.00 C ATOM 1187 O GLU A 79 -8.892 1.719 6.238 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.389 0.959 4.342 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.292 0.018 5.532 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.651 -0.429 6.034 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.604 0.374 5.963 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.761 -1.583 6.499 1.00 0.00 O ATOM 0 H GLU A 79 -10.034 1.473 2.251 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.582 2.910 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.340 1.490 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.394 0.371 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.706 -0.857 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.755 0.515 6.340 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.178 0.725 4.350 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.979 0.168 4.967 1.00 0.00 C ATOM 1201 C LEU A 80 -5.998 1.273 5.347 1.00 0.00 C ATOM 1202 O LEU A 80 -5.368 1.220 6.404 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.305 -0.823 4.016 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.106 -2.081 3.680 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.251 -3.065 2.897 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.640 -2.728 4.950 1.00 0.00 C ATOM 0 H LEU A 80 -8.286 0.501 3.361 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.278 -0.355 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.075 -0.304 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.355 -1.128 4.455 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.954 -1.794 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.838 -3.954 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.918 -2.600 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.383 -3.347 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.208 -3.622 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.807 -3.002 5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.289 -2.024 5.472 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.876 2.272 4.480 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.975 3.391 4.727 1.00 0.00 C ATOM 1220 C ILE A 81 -5.352 4.129 6.007 1.00 0.00 C ATOM 1221 O ILE A 81 -4.488 4.638 6.721 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.980 4.388 3.553 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.712 3.658 2.235 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.946 5.480 3.781 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.183 4.420 1.016 1.00 0.00 C ATOM 0 H ILE A 81 -6.389 2.330 3.601 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.974 2.972 4.833 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.964 4.854 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.642 3.469 2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.206 2.687 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.962 6.177 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.179 6.015 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.956 5.032 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.961 3.843 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.258 4.586 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.670 5.380 0.967 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.649 4.181 6.294 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.142 4.853 7.490 1.00 0.00 C ATOM 1239 C LYS A 82 -7.387 3.852 8.614 1.00 0.00 C ATOM 1240 O LYS A 82 -7.457 4.225 9.785 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.434 5.611 7.177 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.431 4.804 6.363 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.674 5.617 6.039 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.321 6.915 5.328 1.00 0.00 C ATOM 1245 NZ LYS A 82 -10.068 8.023 6.290 1.00 0.00 N ATOM 0 H LYS A 82 -7.378 3.765 5.714 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.382 5.562 7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.903 5.915 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.188 6.523 6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.962 4.471 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.715 3.909 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.343 5.027 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.214 5.840 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.436 6.762 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.134 7.195 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.753 8.788 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.171 7.669 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.103 8.387 6.154 1.00 0.00 H new ATOM 1259 N SER A 83 -7.515 2.580 8.251 1.00 0.00 N ATOM 1260 CA SER A 83 -7.754 1.526 9.230 1.00 0.00 C ATOM 1261 C SER A 83 -6.468 1.168 9.968 1.00 0.00 C ATOM 1262 O SER A 83 -6.497 0.761 11.129 1.00 0.00 O ATOM 1263 CB SER A 83 -8.324 0.283 8.543 1.00 0.00 C ATOM 1264 OG SER A 83 -8.569 -0.751 9.481 1.00 0.00 O ATOM 0 H SER A 83 -7.457 2.254 7.286 1.00 0.00 H new ATOM 0 HA SER A 83 -8.478 1.896 9.956 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.251 0.540 8.030 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.626 -0.069 7.783 1.00 0.00 H new ATOM 0 HG SER A 83 -8.934 -1.533 9.017 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.338 1.323 9.285 1.00 0.00 N ATOM 1271 CA GLY A 84 -4.056 1.012 9.890 1.00 0.00 C ATOM 1272 C GLY A 84 -3.687 1.981 10.997 1.00 0.00 C ATOM 1273 O GLY A 84 -3.269 1.569 12.078 1.00 0.00 O ATOM 0 H GLY A 84 -5.287 1.659 8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.084 -0.001 10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.282 1.030 9.123 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.840 3.273 10.725 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.514 4.283 11.715 1.00 0.00 C ATOM 1279 C GLY A 85 -2.766 5.459 11.119 1.00 0.00 C ATOM 1280 O GLY A 85 -3.169 6.003 10.091 1.00 0.00 O ATOM 0 H GLY A 85 -4.184 3.639 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.432 4.639 12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.910 3.833 12.503 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.675 5.854 11.767 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.871 6.975 11.297 1.00 0.00 C ATOM 1286 C ARG A 86 0.250 6.493 10.380 1.00 0.00 C ATOM 1287 O ARG A 86 0.784 7.261 9.579 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.280 7.740 12.482 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.124 8.924 12.925 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.842 9.300 14.371 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.475 10.563 14.742 1.00 0.00 N ATOM 1292 CZ ARG A 86 -1.510 11.030 15.984 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -0.951 10.343 16.971 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -2.105 12.188 16.243 1.00 0.00 N ATOM 0 H ARG A 86 -1.328 5.414 12.619 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.520 7.642 10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.160 7.056 13.322 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.716 8.094 12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.921 9.779 12.280 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.181 8.682 12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.201 8.508 15.028 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.235 9.376 14.522 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.914 11.116 14.006 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.492 9.453 16.777 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.980 10.705 17.924 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.536 12.720 15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.131 12.546 17.198 1.00 0.00 H new ATOM 1308 N ARG A 87 0.601 5.217 10.502 1.00 0.00 N ATOM 1309 CA ARG A 87 1.658 4.633 9.686 1.00 0.00 C ATOM 1310 C ARG A 87 1.100 3.553 8.764 1.00 0.00 C ATOM 1311 O ARG A 87 0.490 2.587 9.221 1.00 0.00 O ATOM 1312 CB ARG A 87 2.752 4.043 10.578 1.00 0.00 C ATOM 1313 CG ARG A 87 3.265 5.008 11.634 1.00 0.00 C ATOM 1314 CD ARG A 87 4.504 4.467 12.330 1.00 0.00 C ATOM 1315 NE ARG A 87 5.187 5.496 13.109 1.00 0.00 N ATOM 1316 CZ ARG A 87 6.466 5.422 13.462 1.00 0.00 C ATOM 1317 NH1 ARG A 87 7.195 4.373 13.107 1.00 0.00 N ATOM 1318 NH2 ARG A 87 7.017 6.398 14.172 1.00 0.00 N ATOM 0 H ARG A 87 0.168 4.568 11.159 1.00 0.00 H new ATOM 0 HA ARG A 87 2.087 5.424 9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.365 3.151 11.071 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.586 3.725 9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.497 5.967 11.170 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.483 5.191 12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.221 3.644 12.986 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.189 4.061 11.586 1.00 0.00 H new ATOM 0 HE ARG A 87 4.654 6.316 13.398 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.774 3.621 12.562 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.177 4.318 13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.459 7.206 14.447 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.999 6.340 14.442 1.00 0.00 H new ATOM 1332 N VAL A 88 1.313 3.724 7.463 1.00 0.00 N ATOM 1333 CA VAL A 88 0.833 2.764 6.477 1.00 0.00 C ATOM 1334 C VAL A 88 1.990 2.153 5.695 1.00 0.00 C ATOM 1335 O VAL A 88 2.992 2.818 5.428 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.151 3.420 5.489 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.533 4.539 4.718 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.723 2.379 4.539 1.00 0.00 C ATOM 0 H VAL A 88 1.815 4.519 7.068 1.00 0.00 H new ATOM 0 HA VAL A 88 0.315 1.978 7.026 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.975 3.853 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.177 4.990 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.890 5.296 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.377 4.133 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.416 2.859 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.087 1.915 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.251 1.616 5.111 1.00 0.00 H new ATOM 1348 N ARG A 89 1.845 0.884 5.330 1.00 0.00 N ATOM 1349 CA ARG A 89 2.879 0.182 4.579 1.00 0.00 C ATOM 1350 C ARG A 89 2.267 -0.637 3.446 1.00 0.00 C ATOM 1351 O ARG A 89 1.491 -1.563 3.685 1.00 0.00 O ATOM 1352 CB ARG A 89 3.683 -0.731 5.506 1.00 0.00 C ATOM 1353 CG ARG A 89 4.577 -1.714 4.769 1.00 0.00 C ATOM 1354 CD ARG A 89 5.049 -2.833 5.684 1.00 0.00 C ATOM 1355 NE ARG A 89 5.583 -3.966 4.933 1.00 0.00 N ATOM 1356 CZ ARG A 89 5.943 -5.115 5.493 1.00 0.00 C ATOM 1357 NH1 ARG A 89 5.825 -5.283 6.803 1.00 0.00 N ATOM 1358 NH2 ARG A 89 6.420 -6.100 4.743 1.00 0.00 N ATOM 0 H ARG A 89 1.022 0.321 5.542 1.00 0.00 H new ATOM 0 HA ARG A 89 3.547 0.927 4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.298 -0.116 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.994 -1.286 6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.034 -2.138 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.440 -1.187 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.816 -2.451 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.218 -3.169 6.304 1.00 0.00 H new ATOM 0 HE ARG A 89 5.685 -3.869 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.457 -4.529 7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.102 -6.166 7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.511 -5.975 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.696 -6.982 5.175 1.00 0.00 H new ATOM 1372 N LEU A 90 2.621 -0.290 2.214 1.00 0.00 N ATOM 1373 CA LEU A 90 2.106 -0.992 1.043 1.00 0.00 C ATOM 1374 C LEU A 90 3.243 -1.407 0.114 1.00 0.00 C ATOM 1375 O LEU A 90 4.255 -0.714 0.006 1.00 0.00 O ATOM 1376 CB LEU A 90 1.113 -0.107 0.289 1.00 0.00 C ATOM 1377 CG LEU A 90 1.330 1.401 0.411 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.955 2.101 -0.886 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.527 1.964 1.575 1.00 0.00 C ATOM 0 H LEU A 90 3.263 0.473 1.999 1.00 0.00 H new ATOM 0 HA LEU A 90 1.594 -1.891 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.148 -0.374 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.109 -0.339 0.643 1.00 0.00 H new ATOM 0 HG LEU A 90 2.387 1.582 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.116 3.174 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.574 1.719 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.095 1.912 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.694 3.039 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.533 1.772 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.845 1.485 2.501 1.00 0.00 H new ATOM 1391 N LEU A 91 3.067 -2.540 -0.557 1.00 0.00 N ATOM 1392 CA LEU A 91 4.077 -3.047 -1.480 1.00 0.00 C ATOM 1393 C LEU A 91 3.953 -2.376 -2.844 1.00 0.00 C ATOM 1394 O LEU A 91 2.914 -2.465 -3.500 1.00 0.00 O ATOM 1395 CB LEU A 91 3.944 -4.563 -1.630 1.00 0.00 C ATOM 1396 CG LEU A 91 5.165 -5.291 -2.193 1.00 0.00 C ATOM 1397 CD1 LEU A 91 4.932 -6.794 -2.203 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.486 -4.790 -3.594 1.00 0.00 C ATOM 0 H LEU A 91 2.235 -3.125 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 91 5.059 -2.814 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.713 -4.986 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.092 -4.771 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 91 6.019 -5.080 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.811 -7.296 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.751 -7.141 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.066 -7.024 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.358 -5.319 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.634 -4.970 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.697 -3.721 -3.559 1.00 0.00 H new ATOM 1410 N LEU A 92 5.020 -1.707 -3.268 1.00 0.00 N ATOM 1411 CA LEU A 92 5.032 -1.023 -4.556 1.00 0.00 C ATOM 1412 C LEU A 92 6.325 -1.309 -5.313 1.00 0.00 C ATOM 1413 O LEU A 92 7.390 -1.451 -4.712 1.00 0.00 O ATOM 1414 CB LEU A 92 4.867 0.485 -4.357 1.00 0.00 C ATOM 1415 CG LEU A 92 4.379 1.273 -5.573 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.866 1.178 -5.699 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.818 2.727 -5.477 1.00 0.00 C ATOM 0 H LEU A 92 5.888 -1.624 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 92 4.196 -1.399 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.167 0.649 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.826 0.897 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 92 4.825 0.838 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.537 1.745 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.575 0.134 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.400 1.587 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.462 3.273 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.401 3.174 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.906 2.777 -5.437 1.00 0.00 H new