USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 717 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 35 SER OG : rot 168:sc= -0.815 USER MOD Set 1.2: A 38 GLN : amide:sc= -0.149 K(o=-0.96,f=-2.9) USER MOD Set 2.1: A 32 THR OG1 : rot 158:sc= 0.206 USER MOD Set 2.2: A 34 HIS : no HD1:sc= -0.583 K(o=-0.38,f=-2.5) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.4!) USER MOD Single : A 26 SER OG : rot 59:sc= 0.00141 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 57 THR OG1 : rot -7:sc= -0.306 USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00283 USER MOD Single : A 62 TYR OH : rot -19:sc= -0.117 USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.05 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -115:sc= -5.88! (180deg=-9.94!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 144:sc= -1.48 (180deg=-3.28!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 110:sc= -0.249 USER MOD Single : A 85 TYR OH : rot -40:sc= 1.1 USER MOD Single : A 86 TYR OH : rot 22:sc= -3! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.59 K(o=-1.6,f=-4.7!) USER MOD Single : A 93 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.1) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 103 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.722 8.022 -2.992 1.00 0.00 N ATOM 201 CA LEU A 17 0.960 6.592 -3.089 1.00 0.00 C ATOM 202 C LEU A 17 -0.161 5.948 -3.908 1.00 0.00 C ATOM 203 O LEU A 17 -1.303 6.401 -3.868 1.00 0.00 O ATOM 204 CB LEU A 17 1.133 5.981 -1.697 1.00 0.00 C ATOM 205 CG LEU A 17 0.963 4.464 -1.604 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.306 3.750 -1.769 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.260 4.069 -0.304 1.00 0.00 C ATOM 0 HA LEU A 17 1.894 6.396 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.127 6.238 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.414 6.449 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 17 0.324 4.142 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.156 2.673 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.731 3.995 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.989 4.073 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.152 2.985 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.852 4.407 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.725 4.533 -0.268 1.00 0.00 H new ATOM 219 N VAL A 18 0.206 4.900 -4.632 1.00 0.00 N ATOM 220 CA VAL A 18 -0.754 4.189 -5.459 1.00 0.00 C ATOM 221 C VAL A 18 -0.713 2.699 -5.114 1.00 0.00 C ATOM 222 O VAL A 18 0.252 2.009 -5.441 1.00 0.00 O ATOM 223 CB VAL A 18 -0.478 4.468 -6.938 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.491 3.748 -7.830 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.471 5.972 -7.220 1.00 0.00 C ATOM 0 H VAL A 18 1.155 4.527 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.766 4.541 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 18 0.512 4.078 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.272 3.963 -8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.427 2.673 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.497 4.094 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.273 6.143 -8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.441 6.396 -6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.306 6.450 -6.623 1.00 0.00 H new ATOM 235 N ILE A 19 -1.772 2.247 -4.459 1.00 0.00 N ATOM 236 CA ILE A 19 -1.869 0.851 -4.066 1.00 0.00 C ATOM 237 C ILE A 19 -2.620 0.073 -5.148 1.00 0.00 C ATOM 238 O ILE A 19 -3.818 0.271 -5.341 1.00 0.00 O ATOM 239 CB ILE A 19 -2.493 0.729 -2.674 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.602 1.379 -1.615 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.807 -0.731 -2.341 1.00 0.00 C ATOM 242 CD1 ILE A 19 -2.230 1.265 -0.224 1.00 0.00 C ATOM 0 H ILE A 19 -2.570 2.822 -4.190 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.877 0.407 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.439 1.270 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.622 0.901 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.445 2.429 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.250 -0.790 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.508 -1.129 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.887 -1.315 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.576 1.735 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.199 1.765 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.364 0.213 0.030 1.00 0.00 H new ATOM 254 N ARG A 20 -1.884 -0.797 -5.825 1.00 0.00 N ATOM 255 CA ARG A 20 -2.466 -1.606 -6.882 1.00 0.00 C ATOM 256 C ARG A 20 -2.817 -2.998 -6.353 1.00 0.00 C ATOM 257 O ARG A 20 -1.952 -3.869 -6.264 1.00 0.00 O ATOM 258 CB ARG A 20 -1.503 -1.745 -8.063 1.00 0.00 C ATOM 259 CG ARG A 20 -2.017 -2.774 -9.072 1.00 0.00 C ATOM 260 CD ARG A 20 -1.109 -2.837 -10.301 1.00 0.00 C ATOM 261 NE ARG A 20 -1.052 -1.512 -10.957 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.469 -1.284 -12.142 1.00 0.00 C ATOM 263 NH1 ARG A 20 0.111 -2.292 -12.808 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.465 -0.048 -12.661 1.00 0.00 N ATOM 0 H ARG A 20 -0.890 -0.959 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.371 -1.104 -7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.381 -0.779 -8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.519 -2.045 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.067 -3.756 -8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.031 -2.514 -9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.107 -3.150 -10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.483 -3.583 -11.002 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.484 -0.722 -10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.109 -3.232 -12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.555 -2.119 -13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.906 0.719 -12.154 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.021 0.125 -13.563 1.00 0.00 H new ATOM 278 N ILE A 21 -4.087 -3.165 -6.014 1.00 0.00 N ATOM 279 CA ILE A 21 -4.563 -4.437 -5.496 1.00 0.00 C ATOM 280 C ILE A 21 -4.483 -5.494 -6.599 1.00 0.00 C ATOM 281 O ILE A 21 -5.067 -5.326 -7.668 1.00 0.00 O ATOM 282 CB ILE A 21 -5.960 -4.281 -4.894 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.907 -3.503 -3.578 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.641 -5.641 -4.729 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.958 -1.994 -3.829 1.00 0.00 C ATOM 0 H ILE A 21 -4.801 -2.441 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.926 -4.778 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.567 -3.699 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.743 -3.798 -2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.993 -3.755 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.633 -5.501 -4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.732 -6.123 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.044 -6.269 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.919 -1.465 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.108 -1.698 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.884 -1.742 -4.346 1.00 0.00 H new ATOM 297 N LYS A 22 -3.754 -6.560 -6.302 1.00 0.00 N ATOM 298 CA LYS A 22 -3.591 -7.644 -7.255 1.00 0.00 C ATOM 299 C LYS A 22 -4.862 -8.495 -7.276 1.00 0.00 C ATOM 300 O LYS A 22 -5.081 -9.313 -6.383 1.00 0.00 O ATOM 301 CB LYS A 22 -2.322 -8.442 -6.946 1.00 0.00 C ATOM 302 CG LYS A 22 -2.323 -9.782 -7.684 1.00 0.00 C ATOM 303 CD LYS A 22 -2.488 -9.577 -9.192 1.00 0.00 C ATOM 304 CE LYS A 22 -1.434 -10.367 -9.971 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.895 -10.622 -11.354 1.00 0.00 N ATOM 0 H LYS A 22 -3.270 -6.696 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.455 -7.249 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.445 -7.864 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.249 -8.614 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.391 -10.312 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.132 -10.408 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.485 -9.893 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.403 -8.517 -9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.496 -9.812 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.234 -11.313 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.168 -11.159 -11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.778 -11.170 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.063 -9.716 -11.837 1.00 0.00 H new ATOM 319 N ILE A 23 -5.667 -8.274 -8.305 1.00 0.00 N ATOM 320 CA ILE A 23 -6.911 -9.010 -8.454 1.00 0.00 C ATOM 321 C ILE A 23 -6.606 -10.419 -8.967 1.00 0.00 C ATOM 322 O ILE A 23 -5.731 -10.600 -9.813 1.00 0.00 O ATOM 323 CB ILE A 23 -7.891 -8.233 -9.335 1.00 0.00 C ATOM 324 CG1 ILE A 23 -7.952 -6.761 -8.922 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.273 -8.889 -9.327 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.235 -6.463 -8.145 1.00 0.00 C ATOM 0 H ILE A 23 -5.482 -7.596 -9.044 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.406 -9.122 -7.489 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.526 -8.264 -10.362 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.085 -6.516 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.904 -6.129 -9.808 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.951 -8.317 -9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.194 -9.908 -9.706 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.660 -8.910 -8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.254 -5.410 -7.863 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.099 -6.687 -8.770 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.268 -7.080 -7.247 1.00 0.00 H new ATOM 338 N PRO A 24 -7.364 -11.407 -8.421 1.00 0.00 N ATOM 339 CA PRO A 24 -7.184 -12.794 -8.814 1.00 0.00 C ATOM 340 C PRO A 24 -7.782 -13.053 -10.198 1.00 0.00 C ATOM 341 O PRO A 24 -8.983 -12.878 -10.403 1.00 0.00 O ATOM 342 CB PRO A 24 -7.854 -13.604 -7.717 1.00 0.00 C ATOM 343 CG PRO A 24 -8.782 -12.641 -6.995 1.00 0.00 C ATOM 344 CD PRO A 24 -8.410 -11.230 -7.417 1.00 0.00 C ATOM 0 HA PRO A 24 -6.134 -13.071 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.410 -14.443 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.115 -14.021 -7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.821 -12.853 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.685 -12.755 -5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.269 -10.700 -7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.051 -10.645 -6.570 1.00 0.00 H new ATOM 352 N ASN A 25 -6.918 -13.466 -11.114 1.00 0.00 N ATOM 353 CA ASN A 25 -7.346 -13.751 -12.473 1.00 0.00 C ATOM 354 C ASN A 25 -8.350 -12.687 -12.920 1.00 0.00 C ATOM 355 O ASN A 25 -9.537 -12.972 -13.070 1.00 0.00 O ATOM 356 CB ASN A 25 -8.032 -15.115 -12.559 1.00 0.00 C ATOM 357 CG ASN A 25 -7.043 -16.201 -12.986 1.00 0.00 C ATOM 358 OD1 ASN A 25 -6.009 -15.937 -13.578 1.00 0.00 O ATOM 359 ND2 ASN A 25 -7.416 -17.434 -12.653 1.00 0.00 N ATOM 0 H ASN A 25 -5.923 -13.610 -10.941 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.463 -13.751 -13.112 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.463 -15.371 -11.591 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.855 -15.068 -13.272 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.823 -18.229 -12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.295 -17.585 -12.158 1.00 0.00 H new ATOM 366 N SER A 26 -7.837 -11.482 -13.121 1.00 0.00 N ATOM 367 CA SER A 26 -8.674 -10.374 -13.549 1.00 0.00 C ATOM 368 C SER A 26 -7.802 -9.173 -13.922 1.00 0.00 C ATOM 369 O SER A 26 -7.985 -8.573 -14.980 1.00 0.00 O ATOM 370 CB SER A 26 -9.673 -9.985 -12.458 1.00 0.00 C ATOM 371 OG SER A 26 -11.019 -10.244 -12.849 1.00 0.00 O ATOM 0 H SER A 26 -6.852 -11.249 -12.995 1.00 0.00 H new ATOM 0 HA SER A 26 -9.239 -10.691 -14.425 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.448 -10.538 -11.546 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.561 -8.926 -12.225 1.00 0.00 H new ATOM 0 HG SER A 26 -11.124 -11.198 -13.049 1.00 0.00 H new ATOM 377 N GLY A 27 -6.873 -8.858 -13.032 1.00 0.00 N ATOM 378 CA GLY A 27 -5.972 -7.739 -13.254 1.00 0.00 C ATOM 379 C GLY A 27 -5.507 -7.137 -11.926 1.00 0.00 C ATOM 380 O GLY A 27 -4.879 -7.819 -11.118 1.00 0.00 O ATOM 0 H GLY A 27 -6.724 -9.358 -12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.108 -8.072 -13.829 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.474 -6.975 -13.847 1.00 0.00 H new ATOM 384 N ALA A 28 -5.834 -5.866 -11.743 1.00 0.00 N ATOM 385 CA ALA A 28 -5.457 -5.165 -10.527 1.00 0.00 C ATOM 386 C ALA A 28 -6.016 -3.741 -10.571 1.00 0.00 C ATOM 387 O ALA A 28 -6.005 -3.098 -11.620 1.00 0.00 O ATOM 388 CB ALA A 28 -3.935 -5.189 -10.374 1.00 0.00 C ATOM 0 H ALA A 28 -6.355 -5.304 -12.416 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.880 -5.659 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.653 -4.663 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.591 -6.222 -10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.475 -4.699 -11.232 1.00 0.00 H new ATOM 394 N VAL A 29 -6.491 -3.290 -9.420 1.00 0.00 N ATOM 395 CA VAL A 29 -7.053 -1.955 -9.313 1.00 0.00 C ATOM 396 C VAL A 29 -6.092 -1.063 -8.525 1.00 0.00 C ATOM 397 O VAL A 29 -5.476 -1.510 -7.559 1.00 0.00 O ATOM 398 CB VAL A 29 -8.450 -2.023 -8.693 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.845 -0.676 -8.083 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.485 -2.483 -9.722 1.00 0.00 C ATOM 0 H VAL A 29 -6.498 -3.826 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.172 -1.511 -10.301 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.425 -2.760 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.842 -0.751 -7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.131 -0.405 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.844 0.089 -8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.469 -2.523 -9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.507 -1.781 -10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.217 -3.474 -10.089 1.00 0.00 H new ATOM 410 N ASP A 30 -5.994 0.182 -8.968 1.00 0.00 N ATOM 411 CA ASP A 30 -5.118 1.141 -8.316 1.00 0.00 C ATOM 412 C ASP A 30 -5.937 1.999 -7.349 1.00 0.00 C ATOM 413 O ASP A 30 -6.932 2.606 -7.743 1.00 0.00 O ATOM 414 CB ASP A 30 -4.464 2.073 -9.338 1.00 0.00 C ATOM 415 CG ASP A 30 -5.318 3.270 -9.761 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.446 3.021 -10.239 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.824 4.406 -9.596 1.00 0.00 O ATOM 0 H ASP A 30 -6.506 0.549 -9.770 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.344 0.585 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.527 2.443 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.212 1.494 -10.226 1.00 0.00 H new ATOM 422 N TRP A 31 -5.488 2.022 -6.103 1.00 0.00 N ATOM 423 CA TRP A 31 -6.167 2.796 -5.077 1.00 0.00 C ATOM 424 C TRP A 31 -5.382 4.092 -4.866 1.00 0.00 C ATOM 425 O TRP A 31 -4.337 4.090 -4.217 1.00 0.00 O ATOM 426 CB TRP A 31 -6.331 1.980 -3.794 1.00 0.00 C ATOM 427 CG TRP A 31 -6.708 2.815 -2.569 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.442 3.936 -2.528 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.337 2.550 -1.200 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.570 4.410 -1.239 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.877 3.540 -0.405 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.569 1.507 -0.651 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.709 3.586 0.984 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.410 1.567 0.739 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.948 2.558 1.553 1.00 0.00 C ATOM 0 H TRP A 31 -4.662 1.517 -5.780 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.179 3.050 -5.391 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.097 1.221 -3.954 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.399 1.453 -3.589 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.878 4.409 -3.395 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.079 5.245 -0.951 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.136 0.722 -1.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.143 4.372 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.829 0.789 1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.779 2.535 2.620 1.00 0.00 H new ATOM 446 N THR A 32 -5.917 5.168 -5.425 1.00 0.00 N ATOM 447 CA THR A 32 -5.279 6.468 -5.305 1.00 0.00 C ATOM 448 C THR A 32 -5.148 6.864 -3.833 1.00 0.00 C ATOM 449 O THR A 32 -6.108 7.335 -3.225 1.00 0.00 O ATOM 450 CB THR A 32 -6.087 7.469 -6.134 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.666 8.741 -5.649 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.582 7.423 -5.812 1.00 0.00 C ATOM 0 H THR A 32 -6.784 5.166 -5.962 1.00 0.00 H new ATOM 0 HA THR A 32 -4.261 6.447 -5.695 1.00 0.00 H new ATOM 0 HB THR A 32 -5.938 7.267 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.846 9.425 -6.327 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.109 8.152 -6.427 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.969 6.425 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.735 7.659 -4.759 1.00 0.00 H new ATOM 460 N VAL A 33 -3.951 6.659 -3.303 1.00 0.00 N ATOM 461 CA VAL A 33 -3.681 6.989 -1.914 1.00 0.00 C ATOM 462 C VAL A 33 -2.837 8.264 -1.851 1.00 0.00 C ATOM 463 O VAL A 33 -1.787 8.349 -2.485 1.00 0.00 O ATOM 464 CB VAL A 33 -3.021 5.800 -1.212 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.782 6.101 0.269 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.855 4.529 -1.386 1.00 0.00 C ATOM 0 H VAL A 33 -3.157 6.268 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.611 7.188 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.051 5.631 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.312 5.240 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.129 6.969 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.735 6.309 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.364 3.699 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.845 4.682 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.951 4.299 -2.447 1.00 0.00 H new ATOM 476 N HIS A 34 -3.329 9.223 -1.081 1.00 0.00 N ATOM 477 CA HIS A 34 -2.633 10.490 -0.927 1.00 0.00 C ATOM 478 C HIS A 34 -1.878 10.502 0.403 1.00 0.00 C ATOM 479 O HIS A 34 -0.777 11.043 0.491 1.00 0.00 O ATOM 480 CB HIS A 34 -3.604 11.664 -1.069 1.00 0.00 C ATOM 481 CG HIS A 34 -4.372 11.671 -2.369 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.531 12.810 -3.140 1.00 0.00 N ATOM 483 CD2 HIS A 34 -5.023 10.668 -3.026 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.247 12.495 -4.209 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.552 11.167 -4.136 1.00 0.00 N ATOM 0 H HIS A 34 -4.201 9.149 -0.557 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.897 10.604 -1.723 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.312 11.639 -0.241 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.046 12.596 -0.983 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.096 9.642 -2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.538 13.171 -5.000 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.097 10.644 -4.822 1.00 0.00 H new ATOM 493 N SER A 35 -2.501 9.900 1.406 1.00 0.00 N ATOM 494 CA SER A 35 -1.901 9.835 2.728 1.00 0.00 C ATOM 495 C SER A 35 -0.997 8.605 2.833 1.00 0.00 C ATOM 496 O SER A 35 -1.154 7.791 3.742 1.00 0.00 O ATOM 497 CB SER A 35 -2.974 9.800 3.818 1.00 0.00 C ATOM 498 OG SER A 35 -3.180 11.081 4.407 1.00 0.00 O ATOM 0 H SER A 35 -3.415 9.453 1.330 1.00 0.00 H new ATOM 0 HA SER A 35 -1.300 10.732 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.911 9.442 3.392 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.683 9.089 4.591 1.00 0.00 H new ATOM 0 HG SER A 35 -3.993 11.063 4.954 1.00 0.00 H new ATOM 504 N GLY A 36 -0.071 8.509 1.890 1.00 0.00 N ATOM 505 CA GLY A 36 0.858 7.392 1.866 1.00 0.00 C ATOM 506 C GLY A 36 1.367 7.071 3.272 1.00 0.00 C ATOM 507 O GLY A 36 1.285 5.928 3.720 1.00 0.00 O ATOM 0 H GLY A 36 0.056 9.186 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.367 6.515 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.700 7.629 1.216 1.00 0.00 H new ATOM 511 N PRO A 37 1.894 8.127 3.948 1.00 0.00 N ATOM 512 CA PRO A 37 2.416 7.969 5.294 1.00 0.00 C ATOM 513 C PRO A 37 1.281 7.841 6.311 1.00 0.00 C ATOM 514 O PRO A 37 1.362 7.040 7.241 1.00 0.00 O ATOM 515 CB PRO A 37 3.286 9.194 5.525 1.00 0.00 C ATOM 516 CG PRO A 37 2.851 10.215 4.487 1.00 0.00 C ATOM 517 CD PRO A 37 2.007 9.494 3.449 1.00 0.00 C ATOM 0 HA PRO A 37 2.998 7.055 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.153 9.583 6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.342 8.950 5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.278 11.015 4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.720 10.677 4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.027 9.959 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.480 9.519 2.467 1.00 0.00 H new ATOM 525 N GLN A 38 0.247 8.643 6.100 1.00 0.00 N ATOM 526 CA GLN A 38 -0.904 8.629 6.987 1.00 0.00 C ATOM 527 C GLN A 38 -1.878 7.524 6.575 1.00 0.00 C ATOM 528 O GLN A 38 -3.073 7.771 6.420 1.00 0.00 O ATOM 529 CB GLN A 38 -1.598 9.993 7.005 1.00 0.00 C ATOM 530 CG GLN A 38 -2.806 9.981 7.944 1.00 0.00 C ATOM 531 CD GLN A 38 -4.049 10.535 7.245 1.00 0.00 C ATOM 532 OE1 GLN A 38 -4.581 9.953 6.314 1.00 0.00 O ATOM 533 NE2 GLN A 38 -4.480 11.690 7.744 1.00 0.00 N ATOM 0 H GLN A 38 0.183 9.306 5.328 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.556 8.421 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.892 10.760 7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.919 10.255 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.998 8.963 8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.588 10.576 8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.988 12.124 8.525 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.303 12.142 7.346 1.00 0.00 H new ATOM 542 N LEU A 39 -1.331 6.328 6.410 1.00 0.00 N ATOM 543 CA LEU A 39 -2.137 5.184 6.020 1.00 0.00 C ATOM 544 C LEU A 39 -2.068 4.119 7.116 1.00 0.00 C ATOM 545 O LEU A 39 -0.997 3.850 7.659 1.00 0.00 O ATOM 546 CB LEU A 39 -1.713 4.675 4.641 1.00 0.00 C ATOM 547 CG LEU A 39 -2.617 3.614 4.010 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.974 4.206 3.627 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.927 2.944 2.820 1.00 0.00 C ATOM 0 H LEU A 39 -0.339 6.127 6.539 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.184 5.472 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.658 5.526 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.706 4.265 4.721 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.803 2.839 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.596 3.430 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.465 4.597 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.829 5.013 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.591 2.194 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.691 3.695 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.007 2.465 3.155 1.00 0.00 H new ATOM 561 N LEU A 40 -3.224 3.541 7.410 1.00 0.00 N ATOM 562 CA LEU A 40 -3.307 2.512 8.431 1.00 0.00 C ATOM 563 C LEU A 40 -3.593 1.163 7.768 1.00 0.00 C ATOM 564 O LEU A 40 -4.062 1.113 6.632 1.00 0.00 O ATOM 565 CB LEU A 40 -4.330 2.900 9.501 1.00 0.00 C ATOM 566 CG LEU A 40 -4.039 4.189 10.272 1.00 0.00 C ATOM 567 CD1 LEU A 40 -5.314 4.752 10.902 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.935 3.970 11.309 1.00 0.00 C ATOM 0 H LEU A 40 -4.110 3.766 6.958 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.355 2.416 8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.305 2.998 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.406 2.081 10.217 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.674 4.934 9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.078 5.668 11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.041 4.970 10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.733 4.020 11.592 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.747 4.902 11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.248 3.202 12.017 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.022 3.650 10.807 1.00 0.00 H new ATOM 580 N PHE A 41 -3.299 0.102 8.506 1.00 0.00 N ATOM 581 CA PHE A 41 -3.519 -1.243 8.003 1.00 0.00 C ATOM 582 C PHE A 41 -5.000 -1.481 7.702 1.00 0.00 C ATOM 583 O PHE A 41 -5.341 -2.100 6.695 1.00 0.00 O ATOM 584 CB PHE A 41 -3.072 -2.210 9.102 1.00 0.00 C ATOM 585 CG PHE A 41 -3.264 -3.686 8.748 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.633 -4.213 7.665 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.066 -4.470 9.517 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.811 -5.583 7.337 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.244 -5.840 9.189 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.613 -6.368 8.106 1.00 0.00 C ATOM 0 H PHE A 41 -2.910 0.147 9.448 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.960 -1.391 7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.019 -2.033 9.321 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.628 -1.990 10.013 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.997 -3.590 7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.567 -4.051 10.377 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.310 -6.002 6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.881 -6.463 9.800 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.749 -7.410 7.857 1.00 0.00 H new ATOM 600 N ARG A 42 -5.840 -0.977 8.594 1.00 0.00 N ATOM 601 CA ARG A 42 -7.277 -1.127 8.436 1.00 0.00 C ATOM 602 C ARG A 42 -7.743 -0.451 7.145 1.00 0.00 C ATOM 603 O ARG A 42 -8.502 -1.035 6.373 1.00 0.00 O ATOM 604 CB ARG A 42 -8.027 -0.518 9.622 1.00 0.00 C ATOM 605 CG ARG A 42 -7.531 -1.105 10.945 1.00 0.00 C ATOM 606 CD ARG A 42 -7.780 -2.614 11.003 1.00 0.00 C ATOM 607 NE ARG A 42 -8.136 -3.016 12.382 1.00 0.00 N ATOM 608 CZ ARG A 42 -8.672 -4.201 12.704 1.00 0.00 C ATOM 609 NH1 ARG A 42 -8.917 -5.108 11.749 1.00 0.00 N ATOM 610 NH2 ARG A 42 -8.963 -4.479 13.983 1.00 0.00 N ATOM 0 H ARG A 42 -5.553 -0.465 9.428 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.496 -2.194 8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.891 0.563 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.096 -0.704 9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.466 -0.904 11.060 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.039 -0.617 11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.583 -2.885 10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.889 -3.151 10.678 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.963 -2.349 13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.695 -4.897 10.776 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.325 -6.010 11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.776 -3.789 14.710 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.371 -5.381 14.229 1.00 0.00 H new ATOM 624 N ASP A 43 -7.269 0.771 6.950 1.00 0.00 N ATOM 625 CA ASP A 43 -7.627 1.533 5.766 1.00 0.00 C ATOM 626 C ASP A 43 -7.506 0.636 4.532 1.00 0.00 C ATOM 627 O ASP A 43 -8.421 0.574 3.713 1.00 0.00 O ATOM 628 CB ASP A 43 -6.692 2.728 5.576 1.00 0.00 C ATOM 629 CG ASP A 43 -7.274 4.078 6.000 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.873 4.118 7.097 1.00 0.00 O ATOM 631 OD2 ASP A 43 -7.106 5.039 5.219 1.00 0.00 O ATOM 0 H ASP A 43 -6.640 1.252 7.593 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.648 1.892 5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.778 2.549 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.409 2.785 4.525 1.00 0.00 H new ATOM 636 N VAL A 44 -6.367 -0.036 4.438 1.00 0.00 N ATOM 637 CA VAL A 44 -6.114 -0.926 3.318 1.00 0.00 C ATOM 638 C VAL A 44 -7.244 -1.953 3.223 1.00 0.00 C ATOM 639 O VAL A 44 -7.919 -2.046 2.199 1.00 0.00 O ATOM 640 CB VAL A 44 -4.733 -1.568 3.462 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.498 -2.615 2.371 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.631 -0.506 3.449 1.00 0.00 C ATOM 0 H VAL A 44 -5.610 0.018 5.119 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.102 -0.368 2.382 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.699 -2.076 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.509 -3.056 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.255 -3.395 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.562 -2.141 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.659 -0.989 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.665 0.042 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.783 0.186 4.277 1.00 0.00 H new ATOM 652 N LEU A 45 -7.414 -2.700 4.305 1.00 0.00 N ATOM 653 CA LEU A 45 -8.450 -3.717 4.356 1.00 0.00 C ATOM 654 C LEU A 45 -9.804 -3.076 4.045 1.00 0.00 C ATOM 655 O LEU A 45 -10.644 -3.681 3.380 1.00 0.00 O ATOM 656 CB LEU A 45 -8.412 -4.454 5.696 1.00 0.00 C ATOM 657 CG LEU A 45 -7.201 -5.359 5.930 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.695 -5.948 4.612 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.099 -4.616 6.687 1.00 0.00 C ATOM 0 H LEU A 45 -6.852 -2.621 5.152 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.275 -4.478 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.448 -3.714 6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.315 -5.059 5.781 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.514 -6.194 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.834 -6.587 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.487 -6.537 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.403 -5.140 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.250 -5.282 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.780 -3.749 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.480 -4.286 7.653 1.00 0.00 H new ATOM 671 N ASP A 46 -9.975 -1.859 4.541 1.00 0.00 N ATOM 672 CA ASP A 46 -11.212 -1.130 4.324 1.00 0.00 C ATOM 673 C ASP A 46 -11.399 -0.884 2.826 1.00 0.00 C ATOM 674 O ASP A 46 -12.527 -0.823 2.339 1.00 0.00 O ATOM 675 CB ASP A 46 -11.180 0.230 5.026 1.00 0.00 C ATOM 676 CG ASP A 46 -11.790 0.248 6.429 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.506 -0.726 6.749 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.526 1.234 7.150 1.00 0.00 O ATOM 0 H ASP A 46 -9.277 -1.360 5.092 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.030 -1.726 4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.144 0.564 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.709 0.954 4.407 1.00 0.00 H new ATOM 683 N VAL A 47 -10.276 -0.749 2.136 1.00 0.00 N ATOM 684 CA VAL A 47 -10.301 -0.511 0.703 1.00 0.00 C ATOM 685 C VAL A 47 -10.485 -1.843 -0.027 1.00 0.00 C ATOM 686 O VAL A 47 -11.449 -2.019 -0.771 1.00 0.00 O ATOM 687 CB VAL A 47 -9.037 0.236 0.274 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.882 0.224 -1.248 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.036 1.667 0.814 1.00 0.00 C ATOM 0 H VAL A 47 -9.342 -0.800 2.543 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.144 0.126 0.436 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.180 -0.284 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.976 0.762 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.815 -0.806 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.745 0.707 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.127 2.176 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.905 2.201 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.076 1.645 1.903 1.00 0.00 H new ATOM 699 N ILE A 48 -9.546 -2.747 0.210 1.00 0.00 N ATOM 700 CA ILE A 48 -9.593 -4.057 -0.416 1.00 0.00 C ATOM 701 C ILE A 48 -11.024 -4.596 -0.354 1.00 0.00 C ATOM 702 O ILE A 48 -11.522 -5.157 -1.328 1.00 0.00 O ATOM 703 CB ILE A 48 -8.557 -4.990 0.215 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.149 -4.668 -0.293 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.927 -6.456 -0.014 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.093 -5.454 0.486 1.00 0.00 C ATOM 0 H ILE A 48 -8.748 -2.598 0.827 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.324 -3.985 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.558 -4.823 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.077 -4.908 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.958 -3.599 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.174 -7.097 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.899 -6.660 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.972 -6.657 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.102 -5.207 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.151 -5.193 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.272 -6.522 0.365 1.00 0.00 H new ATOM 718 N GLY A 49 -11.643 -4.408 0.802 1.00 0.00 N ATOM 719 CA GLY A 49 -13.006 -4.869 1.004 1.00 0.00 C ATOM 720 C GLY A 49 -13.901 -4.464 -0.169 1.00 0.00 C ATOM 721 O GLY A 49 -14.833 -5.186 -0.521 1.00 0.00 O ATOM 0 H GLY A 49 -11.226 -3.943 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.014 -5.953 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.402 -4.451 1.929 1.00 0.00 H new ATOM 725 N GLN A 50 -13.587 -3.312 -0.741 1.00 0.00 N ATOM 726 CA GLN A 50 -14.351 -2.802 -1.868 1.00 0.00 C ATOM 727 C GLN A 50 -13.911 -3.490 -3.162 1.00 0.00 C ATOM 728 O GLN A 50 -14.703 -3.637 -4.091 1.00 0.00 O ATOM 729 CB GLN A 50 -14.214 -1.283 -1.981 1.00 0.00 C ATOM 730 CG GLN A 50 -14.594 -0.599 -0.666 1.00 0.00 C ATOM 731 CD GLN A 50 -15.642 0.491 -0.898 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.775 0.231 -1.269 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.203 1.724 -0.659 1.00 0.00 N ATOM 0 H GLN A 50 -12.814 -2.716 -0.446 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.404 -3.027 -1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.189 -1.025 -2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.853 -0.915 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.982 -1.339 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.706 -0.163 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.242 1.872 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.827 2.521 -0.784 1.00 0.00 H new ATOM 742 N VAL A 51 -12.649 -3.894 -3.181 1.00 0.00 N ATOM 743 CA VAL A 51 -12.095 -4.563 -4.345 1.00 0.00 C ATOM 744 C VAL A 51 -12.563 -6.019 -4.363 1.00 0.00 C ATOM 745 O VAL A 51 -13.010 -6.519 -5.394 1.00 0.00 O ATOM 746 CB VAL A 51 -10.571 -4.424 -4.352 1.00 0.00 C ATOM 747 CG1 VAL A 51 -9.974 -5.005 -5.635 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.152 -2.965 -4.164 1.00 0.00 C ATOM 0 H VAL A 51 -11.995 -3.771 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.455 -4.095 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.179 -4.996 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.890 -4.894 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.229 -6.062 -5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.377 -4.474 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.064 -2.895 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.561 -2.362 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.532 -2.597 -3.211 1.00 0.00 H new ATOM 758 N LEU A 52 -12.444 -6.659 -3.209 1.00 0.00 N ATOM 759 CA LEU A 52 -12.849 -8.049 -3.078 1.00 0.00 C ATOM 760 C LEU A 52 -13.931 -8.161 -2.002 1.00 0.00 C ATOM 761 O LEU A 52 -13.653 -8.578 -0.879 1.00 0.00 O ATOM 762 CB LEU A 52 -11.632 -8.940 -2.823 1.00 0.00 C ATOM 763 CG LEU A 52 -10.778 -9.275 -4.047 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.952 -8.065 -4.487 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.902 -10.502 -3.784 1.00 0.00 C ATOM 0 H LEU A 52 -12.073 -6.241 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.287 -8.408 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.997 -8.451 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.977 -9.874 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.445 -9.526 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.354 -8.330 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.620 -7.242 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.293 -7.759 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.305 -10.719 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.241 -10.303 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.535 -11.359 -3.555 1.00 0.00 H new ATOM 777 N PRO A 53 -15.174 -7.771 -2.393 1.00 0.00 N ATOM 778 CA PRO A 53 -16.298 -7.824 -1.475 1.00 0.00 C ATOM 779 C PRO A 53 -16.775 -9.264 -1.274 1.00 0.00 C ATOM 780 O PRO A 53 -17.433 -9.571 -0.281 1.00 0.00 O ATOM 781 CB PRO A 53 -17.357 -6.929 -2.097 1.00 0.00 C ATOM 782 CG PRO A 53 -16.970 -6.779 -3.559 1.00 0.00 C ATOM 783 CD PRO A 53 -15.540 -7.272 -3.715 1.00 0.00 C ATOM 0 HA PRO A 53 -16.040 -7.477 -0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.349 -7.371 -1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.390 -5.959 -1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.644 -7.355 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.051 -5.738 -3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.472 -8.057 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.876 -6.468 -4.033 1.00 0.00 H new ATOM 791 N GLU A 54 -16.425 -10.108 -2.233 1.00 0.00 N ATOM 792 CA GLU A 54 -16.809 -11.508 -2.175 1.00 0.00 C ATOM 793 C GLU A 54 -15.635 -12.361 -1.690 1.00 0.00 C ATOM 794 O GLU A 54 -15.735 -13.586 -1.630 1.00 0.00 O ATOM 795 CB GLU A 54 -17.316 -11.995 -3.534 1.00 0.00 C ATOM 796 CG GLU A 54 -17.643 -10.816 -4.452 1.00 0.00 C ATOM 797 CD GLU A 54 -18.599 -11.239 -5.569 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.716 -11.680 -5.223 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.190 -11.112 -6.743 1.00 0.00 O ATOM 0 H GLU A 54 -15.879 -9.849 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.627 -11.611 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.561 -12.627 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.205 -12.610 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.092 -10.011 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.724 -10.422 -4.885 1.00 0.00 H new ATOM 806 N ALA A 55 -14.549 -11.680 -1.356 1.00 0.00 N ATOM 807 CA ALA A 55 -13.357 -12.360 -0.878 1.00 0.00 C ATOM 808 C ALA A 55 -12.633 -11.464 0.129 1.00 0.00 C ATOM 809 O ALA A 55 -12.059 -10.442 -0.244 1.00 0.00 O ATOM 810 CB ALA A 55 -12.471 -12.734 -2.068 1.00 0.00 C ATOM 0 H ALA A 55 -14.469 -10.664 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.622 -13.285 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.577 -13.244 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.021 -13.394 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.183 -11.830 -2.605 1.00 0.00 H new ATOM 816 N THR A 56 -12.684 -11.880 1.386 1.00 0.00 N ATOM 817 CA THR A 56 -12.040 -11.127 2.450 1.00 0.00 C ATOM 818 C THR A 56 -10.554 -10.936 2.143 1.00 0.00 C ATOM 819 O THR A 56 -10.104 -11.213 1.032 1.00 0.00 O ATOM 820 CB THR A 56 -12.300 -11.857 3.769 1.00 0.00 C ATOM 821 OG1 THR A 56 -12.101 -10.857 4.764 1.00 0.00 O ATOM 822 CG2 THR A 56 -11.232 -12.908 4.077 1.00 0.00 C ATOM 0 H THR A 56 -13.161 -12.728 1.692 1.00 0.00 H new ATOM 0 HA THR A 56 -12.454 -10.122 2.531 1.00 0.00 H new ATOM 0 HB THR A 56 -13.279 -12.335 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.251 -11.244 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.464 -13.396 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.213 -13.652 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.257 -12.426 4.147 1.00 0.00 H new ATOM 830 N THR A 57 -9.831 -10.465 3.149 1.00 0.00 N ATOM 831 CA THR A 57 -8.404 -10.234 3.001 1.00 0.00 C ATOM 832 C THR A 57 -7.732 -10.155 4.373 1.00 0.00 C ATOM 833 O THR A 57 -6.919 -11.011 4.720 1.00 0.00 O ATOM 834 CB THR A 57 -8.215 -8.971 2.158 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.576 -9.376 0.841 1.00 0.00 O ATOM 836 CG2 THR A 57 -6.745 -8.566 2.034 1.00 0.00 C ATOM 0 H THR A 57 -10.207 -10.237 4.069 1.00 0.00 H new ATOM 0 HA THR A 57 -7.920 -11.063 2.484 1.00 0.00 H new ATOM 0 HB THR A 57 -8.782 -8.151 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.727 -10.344 0.826 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.666 -7.664 1.426 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.336 -8.372 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.184 -9.372 1.561 1.00 0.00 H new ATOM 844 N THR A 58 -8.096 -9.121 5.117 1.00 0.00 N ATOM 845 CA THR A 58 -7.538 -8.919 6.443 1.00 0.00 C ATOM 846 C THR A 58 -6.065 -8.518 6.347 1.00 0.00 C ATOM 847 O THR A 58 -5.677 -7.450 6.817 1.00 0.00 O ATOM 848 CB THR A 58 -7.769 -10.197 7.252 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.155 -10.476 7.073 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.626 -9.970 8.759 1.00 0.00 C ATOM 0 H THR A 58 -8.771 -8.414 4.826 1.00 0.00 H new ATOM 0 HA THR A 58 -8.032 -8.096 6.959 1.00 0.00 H new ATOM 0 HB THR A 58 -7.062 -10.962 6.931 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.391 -11.291 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.800 -10.908 9.286 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.621 -9.611 8.979 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.356 -9.229 9.086 1.00 0.00 H new ATOM 858 N ALA A 59 -5.285 -9.397 5.735 1.00 0.00 N ATOM 859 CA ALA A 59 -3.863 -9.148 5.571 1.00 0.00 C ATOM 860 C ALA A 59 -3.513 -9.176 4.081 1.00 0.00 C ATOM 861 O ALA A 59 -4.289 -9.674 3.267 1.00 0.00 O ATOM 862 CB ALA A 59 -3.068 -10.178 6.375 1.00 0.00 C ATOM 0 H ALA A 59 -5.611 -10.282 5.347 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.600 -8.162 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.001 -9.991 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.331 -10.098 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.304 -11.180 6.017 1.00 0.00 H new ATOM 868 N PHE A 60 -2.344 -8.634 3.771 1.00 0.00 N ATOM 869 CA PHE A 60 -1.882 -8.590 2.394 1.00 0.00 C ATOM 870 C PHE A 60 -0.358 -8.700 2.323 1.00 0.00 C ATOM 871 O PHE A 60 0.329 -8.508 3.325 1.00 0.00 O ATOM 872 CB PHE A 60 -2.311 -7.238 1.821 1.00 0.00 C ATOM 873 CG PHE A 60 -2.047 -6.055 2.755 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.950 -5.737 3.721 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.910 -5.321 2.619 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.706 -4.639 4.587 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.666 -4.223 3.485 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.569 -3.905 4.451 1.00 0.00 C ATOM 0 H PHE A 60 -1.703 -8.222 4.449 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.306 -9.423 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.786 -7.070 0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.375 -7.274 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.853 -6.320 3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.193 -5.574 1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.423 -4.386 5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.237 -3.640 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.383 -3.070 5.110 1.00 0.00 H new ATOM 888 N GLU A 61 0.126 -9.010 1.129 1.00 0.00 N ATOM 889 CA GLU A 61 1.557 -9.148 0.915 1.00 0.00 C ATOM 890 C GLU A 61 2.044 -8.112 -0.100 1.00 0.00 C ATOM 891 O GLU A 61 1.304 -7.728 -1.004 1.00 0.00 O ATOM 892 CB GLU A 61 1.909 -10.567 0.462 1.00 0.00 C ATOM 893 CG GLU A 61 1.578 -11.588 1.552 1.00 0.00 C ATOM 894 CD GLU A 61 2.464 -12.830 1.426 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.700 -12.646 1.419 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.884 -13.934 1.340 1.00 0.00 O ATOM 0 H GLU A 61 -0.447 -9.169 0.300 1.00 0.00 H new ATOM 0 HA GLU A 61 2.066 -8.967 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.359 -10.809 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.970 -10.622 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.717 -11.135 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.529 -11.876 1.479 1.00 0.00 H new ATOM 903 N TYR A 62 3.286 -7.689 0.084 1.00 0.00 N ATOM 904 CA TYR A 62 3.881 -6.704 -0.804 1.00 0.00 C ATOM 905 C TYR A 62 5.298 -7.115 -1.207 1.00 0.00 C ATOM 906 O TYR A 62 6.136 -7.392 -0.350 1.00 0.00 O ATOM 907 CB TYR A 62 3.948 -5.402 -0.004 1.00 0.00 C ATOM 908 CG TYR A 62 5.221 -5.250 0.831 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.402 -4.870 0.226 1.00 0.00 C ATOM 910 CD2 TYR A 62 5.188 -5.492 2.189 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.600 -4.727 1.013 1.00 0.00 C ATOM 912 CE2 TYR A 62 6.386 -5.348 2.976 1.00 0.00 C ATOM 913 CZ TYR A 62 7.533 -4.973 2.348 1.00 0.00 C ATOM 914 OH TYR A 62 8.664 -4.838 3.091 1.00 0.00 O ATOM 0 H TYR A 62 3.897 -8.010 0.835 1.00 0.00 H new ATOM 0 HA TYR A 62 3.293 -6.604 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.875 -4.560 -0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.083 -5.349 0.657 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.428 -4.680 -0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.264 -5.789 2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.531 -4.431 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.374 -5.533 4.040 1.00 0.00 H new ATOM 0 HH TYR A 62 9.447 -4.868 2.503 1.00 0.00 H new ATOM 924 N GLU A 63 5.523 -7.143 -2.513 1.00 0.00 N ATOM 925 CA GLU A 63 6.825 -7.515 -3.040 1.00 0.00 C ATOM 926 C GLU A 63 7.907 -6.587 -2.486 1.00 0.00 C ATOM 927 O GLU A 63 7.717 -5.373 -2.425 1.00 0.00 O ATOM 928 CB GLU A 63 6.820 -7.501 -4.570 1.00 0.00 C ATOM 929 CG GLU A 63 6.856 -8.924 -5.131 1.00 0.00 C ATOM 930 CD GLU A 63 7.882 -9.043 -6.260 1.00 0.00 C ATOM 931 OE1 GLU A 63 8.256 -7.980 -6.801 1.00 0.00 O ATOM 932 OE2 GLU A 63 8.270 -10.194 -6.556 1.00 0.00 O ATOM 0 H GLU A 63 4.826 -6.914 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 63 7.049 -8.532 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.929 -6.987 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.681 -6.940 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.103 -9.626 -4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.868 -9.197 -5.502 1.00 0.00 H new ATOM 939 N ASP A 64 9.019 -7.193 -2.097 1.00 0.00 N ATOM 940 CA ASP A 64 10.132 -6.436 -1.550 1.00 0.00 C ATOM 941 C ASP A 64 11.237 -6.329 -2.603 1.00 0.00 C ATOM 942 O ASP A 64 10.966 -6.400 -3.801 1.00 0.00 O ATOM 943 CB ASP A 64 10.719 -7.130 -0.319 1.00 0.00 C ATOM 944 CG ASP A 64 11.095 -6.196 0.832 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.834 -4.982 0.687 1.00 0.00 O ATOM 946 OD2 ASP A 64 11.635 -6.716 1.832 1.00 0.00 O ATOM 0 H ASP A 64 9.173 -8.200 -2.150 1.00 0.00 H new ATOM 0 HA ASP A 64 9.762 -5.451 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.997 -7.860 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.607 -7.684 -0.622 1.00 0.00 H new ATOM 951 N GLU A 65 12.458 -6.159 -2.119 1.00 0.00 N ATOM 952 CA GLU A 65 13.605 -6.041 -3.003 1.00 0.00 C ATOM 953 C GLU A 65 13.758 -7.309 -3.846 1.00 0.00 C ATOM 954 O GLU A 65 13.768 -7.245 -5.074 1.00 0.00 O ATOM 955 CB GLU A 65 14.881 -5.752 -2.211 1.00 0.00 C ATOM 956 CG GLU A 65 15.545 -4.461 -2.693 1.00 0.00 C ATOM 957 CD GLU A 65 16.708 -4.068 -1.779 1.00 0.00 C ATOM 958 OE1 GLU A 65 17.425 -4.994 -1.344 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.852 -2.850 -1.537 1.00 0.00 O ATOM 0 H GLU A 65 12.678 -6.100 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 65 13.436 -5.199 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.644 -5.669 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.576 -6.585 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.908 -4.593 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.810 -3.657 -2.718 1.00 0.00 H new ATOM 966 N ASP A 66 13.873 -8.432 -3.152 1.00 0.00 N ATOM 967 CA ASP A 66 14.024 -9.713 -3.821 1.00 0.00 C ATOM 968 C ASP A 66 12.644 -10.333 -4.046 1.00 0.00 C ATOM 969 O ASP A 66 12.516 -11.552 -4.146 1.00 0.00 O ATOM 970 CB ASP A 66 14.846 -10.685 -2.971 1.00 0.00 C ATOM 971 CG ASP A 66 16.303 -10.850 -3.405 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.554 -10.704 -4.621 1.00 0.00 O ATOM 973 OD2 ASP A 66 17.135 -11.120 -2.512 1.00 0.00 O ATOM 0 H ASP A 66 13.865 -8.481 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 66 14.535 -9.540 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.827 -10.344 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.363 -11.662 -2.994 1.00 0.00 H new ATOM 978 N GLY A 67 11.646 -9.465 -4.120 1.00 0.00 N ATOM 979 CA GLY A 67 10.279 -9.912 -4.332 1.00 0.00 C ATOM 980 C GLY A 67 9.961 -11.132 -3.465 1.00 0.00 C ATOM 981 O GLY A 67 9.342 -12.086 -3.933 1.00 0.00 O ATOM 0 H GLY A 67 11.756 -8.454 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.587 -9.103 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.133 -10.160 -5.383 1.00 0.00 H new ATOM 985 N ASP A 68 10.398 -11.060 -2.216 1.00 0.00 N ATOM 986 CA ASP A 68 10.168 -12.147 -1.279 1.00 0.00 C ATOM 987 C ASP A 68 8.715 -12.103 -0.802 1.00 0.00 C ATOM 988 O ASP A 68 8.286 -12.957 -0.027 1.00 0.00 O ATOM 989 CB ASP A 68 11.072 -12.018 -0.052 1.00 0.00 C ATOM 990 CG ASP A 68 11.081 -13.234 0.876 1.00 0.00 C ATOM 991 OD1 ASP A 68 10.673 -14.315 0.399 1.00 0.00 O ATOM 992 OD2 ASP A 68 11.494 -13.055 2.042 1.00 0.00 O ATOM 0 H ASP A 68 10.910 -10.266 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 68 10.386 -13.085 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.091 -11.830 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.759 -11.145 0.521 1.00 0.00 H new ATOM 997 N ARG A 69 7.997 -11.100 -1.284 1.00 0.00 N ATOM 998 CA ARG A 69 6.601 -10.933 -0.916 1.00 0.00 C ATOM 999 C ARG A 69 6.440 -11.008 0.604 1.00 0.00 C ATOM 1000 O ARG A 69 6.404 -12.097 1.175 1.00 0.00 O ATOM 1001 CB ARG A 69 5.728 -12.008 -1.568 1.00 0.00 C ATOM 1002 CG ARG A 69 5.658 -11.812 -3.084 1.00 0.00 C ATOM 1003 CD ARG A 69 4.460 -10.942 -3.470 1.00 0.00 C ATOM 1004 NE ARG A 69 4.006 -11.283 -4.836 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.371 -12.419 -5.155 1.00 0.00 C ATOM 1006 NH1 ARG A 69 3.112 -13.330 -4.207 1.00 0.00 N ATOM 1007 NH2 ARG A 69 2.996 -12.644 -6.422 1.00 0.00 N ATOM 0 H ARG A 69 8.356 -10.394 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 69 6.279 -9.954 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.132 -12.995 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.724 -11.971 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.578 -11.347 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.582 -12.781 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.647 -11.092 -2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.735 -9.888 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 69 4.188 -10.611 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.398 -13.158 -3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.629 -14.195 -4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.194 -11.951 -7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.513 -13.509 -6.665 1.00 0.00 H new ATOM 1021 N ILE A 70 6.348 -9.836 1.215 1.00 0.00 N ATOM 1022 CA ILE A 70 6.192 -9.755 2.657 1.00 0.00 C ATOM 1023 C ILE A 70 4.718 -9.953 3.018 1.00 0.00 C ATOM 1024 O ILE A 70 3.872 -10.091 2.136 1.00 0.00 O ATOM 1025 CB ILE A 70 6.784 -8.447 3.188 1.00 0.00 C ATOM 1026 CG1 ILE A 70 8.029 -8.048 2.393 1.00 0.00 C ATOM 1027 CG2 ILE A 70 7.067 -8.543 4.688 1.00 0.00 C ATOM 1028 CD1 ILE A 70 9.021 -9.209 2.307 1.00 0.00 C ATOM 0 H ILE A 70 6.379 -8.935 0.738 1.00 0.00 H new ATOM 0 HA ILE A 70 6.751 -10.553 3.146 1.00 0.00 H new ATOM 0 HB ILE A 70 6.047 -7.656 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.739 -7.737 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.508 -7.191 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.487 -7.601 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.139 -8.748 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.777 -9.349 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.896 -8.898 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.327 -9.501 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.547 -10.056 1.811 1.00 0.00 H new ATOM 1040 N THR A 71 4.456 -9.962 4.317 1.00 0.00 N ATOM 1041 CA THR A 71 3.100 -10.142 4.806 1.00 0.00 C ATOM 1042 C THR A 71 2.784 -9.114 5.894 1.00 0.00 C ATOM 1043 O THR A 71 3.441 -9.084 6.934 1.00 0.00 O ATOM 1044 CB THR A 71 2.954 -11.590 5.277 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.965 -12.350 4.072 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.579 -11.873 5.884 1.00 0.00 C ATOM 0 H THR A 71 5.160 -9.847 5.046 1.00 0.00 H new ATOM 0 HA THR A 71 2.369 -9.968 4.016 1.00 0.00 H new ATOM 0 HB THR A 71 3.727 -11.812 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.876 -13.302 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.529 -12.914 6.202 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.420 -11.223 6.745 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.806 -11.683 5.139 1.00 0.00 H new ATOM 1054 N VAL A 72 1.779 -8.296 5.618 1.00 0.00 N ATOM 1055 CA VAL A 72 1.369 -7.269 6.561 1.00 0.00 C ATOM 1056 C VAL A 72 0.125 -7.743 7.315 1.00 0.00 C ATOM 1057 O VAL A 72 -0.967 -7.790 6.751 1.00 0.00 O ATOM 1058 CB VAL A 72 1.156 -5.942 5.829 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.630 -4.868 6.784 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.443 -5.482 5.141 1.00 0.00 C ATOM 0 H VAL A 72 1.236 -8.323 4.755 1.00 0.00 H new ATOM 0 HA VAL A 72 2.150 -7.095 7.301 1.00 0.00 H new ATOM 0 HB VAL A 72 0.403 -6.102 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.487 -3.935 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.322 -5.191 7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.349 -4.712 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.264 -4.537 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.226 -5.347 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.757 -6.234 4.417 1.00 0.00 H new ATOM 1070 N ARG A 73 0.332 -8.082 8.579 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.759 -8.550 9.416 1.00 0.00 C ATOM 1072 C ARG A 73 -1.034 -7.549 10.540 1.00 0.00 C ATOM 1073 O ARG A 73 -1.983 -7.713 11.305 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.438 -9.916 10.027 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.498 -11.018 8.967 1.00 0.00 C ATOM 1076 CD ARG A 73 -1.034 -12.322 9.562 1.00 0.00 C ATOM 1077 NE ARG A 73 0.074 -13.100 10.158 1.00 0.00 N ATOM 1078 CZ ARG A 73 -0.099 -14.161 10.959 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -1.336 -14.575 11.264 1.00 0.00 N ATOM 1080 NH2 ARG A 73 0.966 -14.807 11.454 1.00 0.00 N ATOM 0 H ARG A 73 1.239 -8.042 9.044 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.643 -8.645 8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.554 -9.893 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.146 -10.136 10.826 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.137 -10.700 8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.497 -11.184 8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.785 -12.103 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.526 -12.910 8.787 1.00 0.00 H new ATOM 0 HE ARG A 73 1.029 -12.811 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.146 -14.083 10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.468 -15.382 11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.908 -14.491 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.835 -15.614 12.063 1.00 0.00 H new ATOM 1094 N SER A 74 -0.185 -6.533 10.604 1.00 0.00 N ATOM 1095 CA SER A 74 -0.325 -5.505 11.621 1.00 0.00 C ATOM 1096 C SER A 74 0.159 -4.160 11.076 1.00 0.00 C ATOM 1097 O SER A 74 0.854 -4.111 10.062 1.00 0.00 O ATOM 1098 CB SER A 74 0.451 -5.874 12.887 1.00 0.00 C ATOM 1099 OG SER A 74 -0.217 -5.441 14.069 1.00 0.00 O ATOM 0 H SER A 74 0.602 -6.400 9.968 1.00 0.00 H new ATOM 0 HA SER A 74 -1.380 -5.425 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.590 -6.954 12.925 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.444 -5.426 12.847 1.00 0.00 H new ATOM 0 HG SER A 74 0.310 -5.697 14.855 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.228 -3.101 11.772 1.00 0.00 N ATOM 1106 CA ASP A 75 0.157 -1.759 11.370 1.00 0.00 C ATOM 1107 C ASP A 75 1.680 -1.687 11.243 1.00 0.00 C ATOM 1108 O ASP A 75 2.200 -1.070 10.315 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.280 -0.726 12.411 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.775 -0.727 12.735 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.316 -1.840 12.914 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -2.343 0.385 12.796 1.00 0.00 O ATOM 0 H ASP A 75 -0.805 -3.145 12.612 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.327 -1.540 10.419 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.276 -0.903 13.332 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.001 0.266 12.056 1.00 0.00 H new ATOM 1117 N GLU A 76 2.352 -2.326 12.189 1.00 0.00 N ATOM 1118 CA GLU A 76 3.805 -2.342 12.195 1.00 0.00 C ATOM 1119 C GLU A 76 4.336 -2.722 10.811 1.00 0.00 C ATOM 1120 O GLU A 76 5.090 -1.965 10.202 1.00 0.00 O ATOM 1121 CB GLU A 76 4.339 -3.293 13.268 1.00 0.00 C ATOM 1122 CG GLU A 76 5.365 -2.593 14.160 1.00 0.00 C ATOM 1123 CD GLU A 76 5.336 -3.161 15.580 1.00 0.00 C ATOM 1124 OE1 GLU A 76 4.212 -3.368 16.086 1.00 0.00 O ATOM 1125 OE2 GLU A 76 6.439 -3.376 16.128 1.00 0.00 O ATOM 0 H GLU A 76 1.917 -2.837 12.957 1.00 0.00 H new ATOM 0 HA GLU A 76 4.160 -1.340 12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.513 -3.660 13.877 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.796 -4.162 12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.362 -2.713 13.737 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.158 -1.523 14.188 1.00 0.00 H new ATOM 1132 N GLU A 77 3.923 -3.896 10.355 1.00 0.00 N ATOM 1133 CA GLU A 77 4.348 -4.386 9.055 1.00 0.00 C ATOM 1134 C GLU A 77 4.062 -3.340 7.975 1.00 0.00 C ATOM 1135 O GLU A 77 4.907 -3.078 7.120 1.00 0.00 O ATOM 1136 CB GLU A 77 3.671 -5.717 8.723 1.00 0.00 C ATOM 1137 CG GLU A 77 4.369 -6.879 9.433 1.00 0.00 C ATOM 1138 CD GLU A 77 4.958 -6.428 10.772 1.00 0.00 C ATOM 1139 OE1 GLU A 77 4.166 -6.314 11.731 1.00 0.00 O ATOM 1140 OE2 GLU A 77 6.189 -6.208 10.805 1.00 0.00 O ATOM 0 H GLU A 77 3.298 -4.522 10.863 1.00 0.00 H new ATOM 0 HA GLU A 77 5.423 -4.562 9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.623 -5.681 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.690 -5.880 7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.658 -7.689 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.161 -7.275 8.798 1.00 0.00 H new ATOM 1147 N MET A 78 2.867 -2.772 8.048 1.00 0.00 N ATOM 1148 CA MET A 78 2.459 -1.762 7.087 1.00 0.00 C ATOM 1149 C MET A 78 3.557 -0.714 6.893 1.00 0.00 C ATOM 1150 O MET A 78 4.150 -0.621 5.819 1.00 0.00 O ATOM 1151 CB MET A 78 1.181 -1.078 7.576 1.00 0.00 C ATOM 1152 CG MET A 78 0.021 -1.330 6.612 1.00 0.00 C ATOM 1153 SD MET A 78 -0.112 0.018 5.450 1.00 0.00 S ATOM 1154 CE MET A 78 -0.885 1.247 6.488 1.00 0.00 C ATOM 0 H MET A 78 2.168 -2.992 8.758 1.00 0.00 H new ATOM 0 HA MET A 78 2.276 -2.251 6.130 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.922 -1.450 8.567 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.352 -0.006 7.672 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.178 -2.267 6.078 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.910 -1.433 7.170 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.882 1.470 6.107 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.962 0.866 7.506 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.284 2.156 6.485 1.00 0.00 H new ATOM 1164 N LYS A 79 3.795 0.049 7.950 1.00 0.00 N ATOM 1165 CA LYS A 79 4.812 1.087 7.910 1.00 0.00 C ATOM 1166 C LYS A 79 6.061 0.545 7.213 1.00 0.00 C ATOM 1167 O LYS A 79 6.782 1.292 6.554 1.00 0.00 O ATOM 1168 CB LYS A 79 5.078 1.630 9.316 1.00 0.00 C ATOM 1169 CG LYS A 79 4.427 3.001 9.506 1.00 0.00 C ATOM 1170 CD LYS A 79 3.068 2.872 10.197 1.00 0.00 C ATOM 1171 CE LYS A 79 3.058 3.621 11.531 1.00 0.00 C ATOM 1172 NZ LYS A 79 1.694 4.103 11.844 1.00 0.00 N ATOM 0 H LYS A 79 3.301 -0.031 8.839 1.00 0.00 H new ATOM 0 HA LYS A 79 4.465 1.939 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.690 0.933 10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.152 1.707 9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.082 3.639 10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.302 3.485 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.287 3.268 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.840 1.819 10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.409 2.964 12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.747 4.464 11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.705 4.609 12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.372 4.746 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.045 3.293 11.907 1.00 0.00 H new ATOM 1186 N ALA A 80 6.279 -0.751 7.384 1.00 0.00 N ATOM 1187 CA ALA A 80 7.429 -1.402 6.779 1.00 0.00 C ATOM 1188 C ALA A 80 7.258 -1.421 5.259 1.00 0.00 C ATOM 1189 O ALA A 80 8.113 -0.924 4.528 1.00 0.00 O ATOM 1190 CB ALA A 80 7.588 -2.806 7.366 1.00 0.00 C ATOM 0 H ALA A 80 5.679 -1.367 7.932 1.00 0.00 H new ATOM 0 HA ALA A 80 8.343 -0.851 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.450 -3.294 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.736 -2.735 8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.691 -3.390 7.161 1.00 0.00 H new ATOM 1196 N MET A 81 6.148 -2.001 4.828 1.00 0.00 N ATOM 1197 CA MET A 81 5.853 -2.092 3.408 1.00 0.00 C ATOM 1198 C MET A 81 5.980 -0.725 2.733 1.00 0.00 C ATOM 1199 O MET A 81 6.514 -0.620 1.629 1.00 0.00 O ATOM 1200 CB MET A 81 4.433 -2.628 3.213 1.00 0.00 C ATOM 1201 CG MET A 81 3.962 -2.422 1.772 1.00 0.00 C ATOM 1202 SD MET A 81 2.293 -3.026 1.584 1.00 0.00 S ATOM 1203 CE MET A 81 1.384 -1.632 2.229 1.00 0.00 C ATOM 0 H MET A 81 5.441 -2.413 5.437 1.00 0.00 H new ATOM 0 HA MET A 81 6.572 -2.771 2.950 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.404 -3.689 3.461 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.752 -2.122 3.898 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.006 -1.364 1.514 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.627 -2.946 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.460 -1.508 1.665 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.148 -1.806 3.279 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.989 -0.730 2.138 1.00 0.00 H new ATOM 1213 N LEU A 82 5.481 0.289 3.424 1.00 0.00 N ATOM 1214 CA LEU A 82 5.532 1.646 2.906 1.00 0.00 C ATOM 1215 C LEU A 82 6.972 2.159 2.972 1.00 0.00 C ATOM 1216 O LEU A 82 7.388 2.962 2.139 1.00 0.00 O ATOM 1217 CB LEU A 82 4.527 2.537 3.638 1.00 0.00 C ATOM 1218 CG LEU A 82 3.051 2.270 3.339 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.190 2.493 4.584 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.571 3.109 2.153 1.00 0.00 C ATOM 0 H LEU A 82 5.039 0.198 4.339 1.00 0.00 H new ATOM 0 HA LEU A 82 5.235 1.665 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.686 2.425 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.745 3.576 3.391 1.00 0.00 H new ATOM 0 HG LEU A 82 2.944 1.223 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.145 2.296 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.514 1.818 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.297 3.524 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.518 2.900 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.695 4.167 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.157 2.858 1.269 1.00 0.00 H new ATOM 1232 N SER A 83 7.694 1.673 3.972 1.00 0.00 N ATOM 1233 CA SER A 83 9.079 2.073 4.158 1.00 0.00 C ATOM 1234 C SER A 83 9.935 1.544 3.005 1.00 0.00 C ATOM 1235 O SER A 83 11.045 2.025 2.781 1.00 0.00 O ATOM 1236 CB SER A 83 9.622 1.570 5.497 1.00 0.00 C ATOM 1237 OG SER A 83 11.044 1.641 5.557 1.00 0.00 O ATOM 0 H SER A 83 7.346 1.006 4.661 1.00 0.00 H new ATOM 0 HA SER A 83 9.123 3.162 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.195 2.162 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.304 0.539 5.653 1.00 0.00 H new ATOM 0 HG SER A 83 11.351 1.313 6.428 1.00 0.00 H new ATOM 1243 N TYR A 84 9.387 0.562 2.305 1.00 0.00 N ATOM 1244 CA TYR A 84 10.087 -0.037 1.182 1.00 0.00 C ATOM 1245 C TYR A 84 9.731 0.671 -0.127 1.00 0.00 C ATOM 1246 O TYR A 84 10.616 1.069 -0.883 1.00 0.00 O ATOM 1247 CB TYR A 84 9.606 -1.487 1.110 1.00 0.00 C ATOM 1248 CG TYR A 84 9.790 -2.137 -0.263 1.00 0.00 C ATOM 1249 CD1 TYR A 84 10.975 -2.772 -0.573 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.770 -2.088 -1.192 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.149 -3.383 -1.865 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.944 -2.699 -2.484 1.00 0.00 C ATOM 1253 CZ TYR A 84 10.124 -3.316 -2.757 1.00 0.00 C ATOM 1254 OH TYR A 84 10.288 -3.894 -3.978 1.00 0.00 O ATOM 0 H TYR A 84 8.466 0.166 2.494 1.00 0.00 H new ATOM 0 HA TYR A 84 11.166 0.040 1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.144 -2.075 1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 84 8.550 -1.522 1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.773 -2.811 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.842 -1.592 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.072 -3.883 -2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.154 -2.668 -3.220 1.00 0.00 H new ATOM 0 HH TYR A 84 9.716 -4.687 -4.044 1.00 0.00 H new ATOM 1264 N TYR A 85 8.432 0.808 -0.354 1.00 0.00 N ATOM 1265 CA TYR A 85 7.948 1.462 -1.558 1.00 0.00 C ATOM 1266 C TYR A 85 8.647 2.806 -1.771 1.00 0.00 C ATOM 1267 O TYR A 85 9.141 3.087 -2.862 1.00 0.00 O ATOM 1268 CB TYR A 85 6.455 1.706 -1.334 1.00 0.00 C ATOM 1269 CG TYR A 85 5.700 2.144 -2.591 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.408 1.222 -3.576 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.311 3.459 -2.739 1.00 0.00 C ATOM 1272 CE1 TYR A 85 4.697 1.633 -4.759 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.600 3.870 -3.922 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.329 2.937 -4.874 1.00 0.00 C ATOM 1275 OH TYR A 85 3.657 3.326 -5.991 1.00 0.00 O ATOM 0 H TYR A 85 7.701 0.477 0.275 1.00 0.00 H new ATOM 0 HA TYR A 85 8.143 0.845 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.002 0.792 -0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.333 2.469 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.713 0.192 -3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.539 4.180 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.461 0.922 -5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.289 4.896 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 85 4.035 2.874 -6.774 1.00 0.00 H new ATOM 1285 N TYR A 86 8.665 3.601 -0.712 1.00 0.00 N ATOM 1286 CA TYR A 86 9.295 4.910 -0.769 1.00 0.00 C ATOM 1287 C TYR A 86 10.819 4.783 -0.814 1.00 0.00 C ATOM 1288 O TYR A 86 11.500 5.630 -1.391 1.00 0.00 O ATOM 1289 CB TYR A 86 8.893 5.628 0.520 1.00 0.00 C ATOM 1290 CG TYR A 86 7.382 5.691 0.752 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.520 5.736 -0.325 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.881 5.702 2.038 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.098 5.795 -0.107 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.459 5.761 2.256 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.637 5.805 1.173 1.00 0.00 C ATOM 1296 OH TYR A 86 3.294 5.860 1.379 1.00 0.00 O ATOM 0 H TYR A 86 8.254 3.365 0.191 1.00 0.00 H new ATOM 0 HA TYR A 86 8.981 5.449 -1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.359 5.123 1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.289 6.643 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.912 5.727 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.556 5.666 2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.413 5.831 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.054 5.770 3.257 1.00 0.00 H new ATOM 0 HH TYR A 86 2.827 5.540 0.579 1.00 0.00 H new ATOM 1306 N SER A 87 11.311 3.718 -0.198 1.00 0.00 N ATOM 1307 CA SER A 87 12.742 3.469 -0.160 1.00 0.00 C ATOM 1308 C SER A 87 13.233 3.027 -1.540 1.00 0.00 C ATOM 1309 O SER A 87 14.384 3.269 -1.900 1.00 0.00 O ATOM 1310 CB SER A 87 13.090 2.413 0.891 1.00 0.00 C ATOM 1311 OG SER A 87 14.446 1.987 0.790 1.00 0.00 O ATOM 0 H SER A 87 10.744 3.017 0.279 1.00 0.00 H new ATOM 0 HA SER A 87 13.243 4.396 0.117 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.911 2.819 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.430 1.553 0.774 1.00 0.00 H new ATOM 0 HG SER A 87 14.630 1.314 1.478 1.00 0.00 H new ATOM 1317 N THR A 88 12.336 2.387 -2.275 1.00 0.00 N ATOM 1318 CA THR A 88 12.663 1.909 -3.607 1.00 0.00 C ATOM 1319 C THR A 88 12.200 2.914 -4.664 1.00 0.00 C ATOM 1320 O THR A 88 12.938 3.223 -5.598 1.00 0.00 O ATOM 1321 CB THR A 88 12.044 0.520 -3.777 1.00 0.00 C ATOM 1322 OG1 THR A 88 12.915 -0.139 -4.691 1.00 0.00 O ATOM 1323 CG2 THR A 88 10.700 0.564 -4.508 1.00 0.00 C ATOM 0 H THR A 88 11.382 2.188 -1.973 1.00 0.00 H new ATOM 0 HA THR A 88 13.741 1.819 -3.740 1.00 0.00 H new ATOM 0 HB THR A 88 11.910 0.060 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.589 -1.048 -4.856 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.304 -0.447 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.998 1.177 -3.943 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.839 0.993 -5.500 1.00 0.00 H new ATOM 1331 N VAL A 89 10.980 3.397 -4.480 1.00 0.00 N ATOM 1332 CA VAL A 89 10.409 4.361 -5.405 1.00 0.00 C ATOM 1333 C VAL A 89 11.415 5.489 -5.644 1.00 0.00 C ATOM 1334 O VAL A 89 11.656 5.879 -6.786 1.00 0.00 O ATOM 1335 CB VAL A 89 9.064 4.862 -4.875 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.670 6.182 -5.541 1.00 0.00 C ATOM 1337 CG2 VAL A 89 7.973 3.806 -5.063 1.00 0.00 C ATOM 0 H VAL A 89 10.371 3.139 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 89 10.209 3.893 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 89 9.172 5.045 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.710 6.516 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.430 6.935 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.589 6.036 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.027 4.187 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.867 3.577 -6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.246 2.900 -4.522 1.00 0.00 H new ATOM 1347 N MET A 90 11.975 5.981 -4.549 1.00 0.00 N ATOM 1348 CA MET A 90 12.949 7.057 -4.625 1.00 0.00 C ATOM 1349 C MET A 90 14.168 6.635 -5.449 1.00 0.00 C ATOM 1350 O MET A 90 14.856 7.478 -6.023 1.00 0.00 O ATOM 1351 CB MET A 90 13.395 7.443 -3.214 1.00 0.00 C ATOM 1352 CG MET A 90 14.451 6.469 -2.687 1.00 0.00 C ATOM 1353 SD MET A 90 14.938 6.933 -1.033 1.00 0.00 S ATOM 1354 CE MET A 90 16.228 8.108 -1.408 1.00 0.00 C ATOM 0 H MET A 90 11.773 5.655 -3.604 1.00 0.00 H new ATOM 0 HA MET A 90 12.481 7.912 -5.114 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.800 8.455 -3.221 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.534 7.448 -2.545 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.054 5.454 -2.687 1.00 0.00 H new ATOM 0 HG3 MET A 90 15.320 6.471 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 90 16.645 8.499 -0.480 1.00 0.00 H new ATOM 0 HE2 MET A 90 17.014 7.615 -1.979 1.00 0.00 H new ATOM 0 HE3 MET A 90 15.814 8.928 -1.994 1.00 0.00 H new ATOM 1364 N GLU A 91 14.398 5.330 -5.480 1.00 0.00 N ATOM 1365 CA GLU A 91 15.522 4.786 -6.223 1.00 0.00 C ATOM 1366 C GLU A 91 15.168 4.665 -7.707 1.00 0.00 C ATOM 1367 O GLU A 91 16.029 4.834 -8.570 1.00 0.00 O ATOM 1368 CB GLU A 91 15.956 3.435 -5.651 1.00 0.00 C ATOM 1369 CG GLU A 91 16.849 3.622 -4.423 1.00 0.00 C ATOM 1370 CD GLU A 91 18.269 4.019 -4.833 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.958 3.150 -5.409 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.633 5.184 -4.562 1.00 0.00 O ATOM 0 H GLU A 91 13.825 4.634 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 91 16.363 5.472 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.076 2.851 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.492 2.869 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.426 4.389 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.878 2.698 -3.846 1.00 0.00 H new ATOM 1379 N GLN A 92 13.901 4.373 -7.958 1.00 0.00 N ATOM 1380 CA GLN A 92 13.423 4.228 -9.323 1.00 0.00 C ATOM 1381 C GLN A 92 13.484 5.571 -10.053 1.00 0.00 C ATOM 1382 O GLN A 92 13.412 5.618 -11.280 1.00 0.00 O ATOM 1383 CB GLN A 92 12.005 3.654 -9.349 1.00 0.00 C ATOM 1384 CG GLN A 92 12.018 2.146 -9.085 1.00 0.00 C ATOM 1385 CD GLN A 92 11.011 1.424 -9.982 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.229 1.218 -11.165 1.00 0.00 O ATOM 1387 NE2 GLN A 92 9.899 1.052 -9.355 1.00 0.00 N ATOM 0 H GLN A 92 13.190 4.233 -7.240 1.00 0.00 H new ATOM 0 HA GLN A 92 14.074 3.525 -9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.393 4.153 -8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.546 3.853 -10.317 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.018 1.751 -9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.781 1.954 -8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.781 1.256 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.164 0.563 -9.866 1.00 0.00 H new ATOM 1396 N GLN A 93 13.616 6.630 -9.268 1.00 0.00 N ATOM 1397 CA GLN A 93 13.688 7.970 -9.824 1.00 0.00 C ATOM 1398 C GLN A 93 15.137 8.329 -10.159 1.00 0.00 C ATOM 1399 O GLN A 93 15.400 8.995 -11.159 1.00 0.00 O ATOM 1400 CB GLN A 93 13.076 8.994 -8.867 1.00 0.00 C ATOM 1401 CG GLN A 93 11.592 8.707 -8.631 1.00 0.00 C ATOM 1402 CD GLN A 93 10.765 9.992 -8.710 1.00 0.00 C ATOM 1403 OE1 GLN A 93 11.042 10.892 -9.486 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.737 10.026 -7.867 1.00 0.00 N ATOM 0 H GLN A 93 13.675 6.587 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 93 13.107 7.991 -10.746 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.610 8.973 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.195 9.997 -9.277 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.234 7.994 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.459 8.244 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.562 9.238 -7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.124 10.841 -7.843 1.00 0.00 H new ATOM 1413 N VAL A 94 16.039 7.872 -9.302 1.00 0.00 N ATOM 1414 CA VAL A 94 17.455 8.137 -9.494 1.00 0.00 C ATOM 1415 C VAL A 94 17.977 7.280 -10.649 1.00 0.00 C ATOM 1416 O VAL A 94 18.868 7.700 -11.385 1.00 0.00 O ATOM 1417 CB VAL A 94 18.213 7.904 -8.186 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.345 8.263 -6.978 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.714 6.462 -8.092 1.00 0.00 C ATOM 0 H VAL A 94 15.817 7.320 -8.473 1.00 0.00 H new ATOM 0 HA VAL A 94 17.615 9.181 -9.765 1.00 0.00 H new ATOM 0 HB VAL A 94 19.082 8.561 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.908 8.088 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 94 17.060 9.314 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.448 7.643 -6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.249 6.323 -7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.866 5.779 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.385 6.255 -8.926 1.00 0.00 H new ATOM 1429 N ASN A 95 17.401 6.093 -10.771 1.00 0.00 N ATOM 1430 CA ASN A 95 17.797 5.173 -11.823 1.00 0.00 C ATOM 1431 C ASN A 95 17.373 5.741 -13.179 1.00 0.00 C ATOM 1432 O ASN A 95 18.217 6.133 -13.983 1.00 0.00 O ATOM 1433 CB ASN A 95 17.121 3.812 -11.648 1.00 0.00 C ATOM 1434 CG ASN A 95 18.156 2.713 -11.399 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.408 1.861 -12.235 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.739 2.780 -10.206 1.00 0.00 N ATOM 0 H ASN A 95 16.663 5.747 -10.158 1.00 0.00 H new ATOM 0 HA ASN A 95 18.879 5.048 -11.771 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.422 3.854 -10.813 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.540 3.574 -12.539 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.444 2.091 -9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.481 3.520 -9.553 1.00 0.00 H new ATOM 1443 N GLY A 96 16.065 5.769 -13.389 1.00 0.00 N ATOM 1444 CA GLY A 96 15.518 6.283 -14.634 1.00 0.00 C ATOM 1445 C GLY A 96 14.077 5.811 -14.835 1.00 0.00 C ATOM 1446 O GLY A 96 13.158 6.625 -14.909 1.00 0.00 O ATOM 0 H GLY A 96 15.368 5.444 -12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.550 7.373 -14.627 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.133 5.951 -15.470 1.00 0.00 H new ATOM 1450 N GLN A 97 13.924 4.498 -14.919 1.00 0.00 N ATOM 1451 CA GLN A 97 12.610 3.908 -15.111 1.00 0.00 C ATOM 1452 C GLN A 97 11.566 4.657 -14.282 1.00 0.00 C ATOM 1453 O GLN A 97 11.907 5.339 -13.317 1.00 0.00 O ATOM 1454 CB GLN A 97 12.622 2.418 -14.762 1.00 0.00 C ATOM 1455 CG GLN A 97 13.255 2.182 -13.389 1.00 0.00 C ATOM 1456 CD GLN A 97 13.798 0.756 -13.273 1.00 0.00 C ATOM 1457 OE1 GLN A 97 13.345 -0.164 -13.935 1.00 0.00 O ATOM 1458 NE2 GLN A 97 14.791 0.625 -12.399 1.00 0.00 N ATOM 0 H GLN A 97 14.688 3.826 -14.858 1.00 0.00 H new ATOM 0 HA GLN A 97 12.342 3.999 -16.164 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.603 2.031 -14.768 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.177 1.867 -15.522 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.063 2.896 -13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.515 2.358 -12.608 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.122 1.437 -11.878 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.222 -0.287 -12.250 1.00 0.00 H new ATOM 1467 N LEU A 98 10.314 4.505 -14.689 1.00 0.00 N ATOM 1468 CA LEU A 98 9.217 5.160 -13.996 1.00 0.00 C ATOM 1469 C LEU A 98 8.919 4.407 -12.697 1.00 0.00 C ATOM 1470 O LEU A 98 9.418 3.303 -12.487 1.00 0.00 O ATOM 1471 CB LEU A 98 8.005 5.296 -14.920 1.00 0.00 C ATOM 1472 CG LEU A 98 7.813 4.177 -15.945 1.00 0.00 C ATOM 1473 CD1 LEU A 98 7.999 2.803 -15.298 1.00 0.00 C ATOM 1474 CD2 LEU A 98 6.460 4.302 -16.646 1.00 0.00 C ATOM 0 H LEU A 98 10.035 3.938 -15.490 1.00 0.00 H new ATOM 0 HA LEU A 98 9.494 6.177 -13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.108 5.354 -14.303 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.086 6.242 -15.455 1.00 0.00 H new ATOM 0 HG LEU A 98 8.582 4.279 -16.710 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.857 2.025 -16.048 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.005 2.729 -14.884 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.268 2.675 -14.500 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.349 3.494 -17.369 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.661 4.240 -15.908 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.404 5.261 -17.161 1.00 0.00 H new ATOM 1486 N ILE A 99 8.107 5.035 -11.860 1.00 0.00 N ATOM 1487 CA ILE A 99 7.736 4.439 -10.588 1.00 0.00 C ATOM 1488 C ILE A 99 6.685 3.352 -10.826 1.00 0.00 C ATOM 1489 O ILE A 99 6.004 3.356 -11.850 1.00 0.00 O ATOM 1490 CB ILE A 99 7.291 5.518 -9.599 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.346 6.620 -9.479 1.00 0.00 C ATOM 1492 CG2 ILE A 99 6.942 4.908 -8.241 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.668 6.057 -8.953 1.00 0.00 C ATOM 0 H ILE A 99 7.695 5.951 -12.038 1.00 0.00 H new ATOM 0 HA ILE A 99 8.598 3.955 -10.129 1.00 0.00 H new ATOM 0 HB ILE A 99 6.383 5.982 -9.985 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.505 7.084 -10.453 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.987 7.401 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.629 5.697 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.131 4.190 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.817 4.401 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.401 6.860 -8.877 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.510 5.616 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.036 5.293 -9.638 1.00 0.00 H new ATOM 1505 N GLU A 100 6.587 2.448 -9.863 1.00 0.00 N ATOM 1506 CA GLU A 100 5.631 1.357 -9.955 1.00 0.00 C ATOM 1507 C GLU A 100 4.642 1.419 -8.789 1.00 0.00 C ATOM 1508 O GLU A 100 4.976 1.911 -7.712 1.00 0.00 O ATOM 1509 CB GLU A 100 6.345 0.005 -9.997 1.00 0.00 C ATOM 1510 CG GLU A 100 7.255 -0.097 -11.223 1.00 0.00 C ATOM 1511 CD GLU A 100 6.465 -0.536 -12.457 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.841 0.352 -13.077 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.503 -1.749 -12.754 1.00 0.00 O ATOM 0 H GLU A 100 7.154 2.448 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 100 5.073 1.465 -10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.935 -0.127 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.609 -0.799 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.726 0.868 -11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.056 -0.810 -11.027 1.00 0.00 H new ATOM 1520 N PRO A 101 3.413 0.899 -9.050 1.00 0.00 N ATOM 1521 CA PRO A 101 2.373 0.891 -8.035 1.00 0.00 C ATOM 1522 C PRO A 101 2.643 -0.186 -6.983 1.00 0.00 C ATOM 1523 O PRO A 101 3.196 -1.240 -7.295 1.00 0.00 O ATOM 1524 CB PRO A 101 1.079 0.663 -8.800 1.00 0.00 C ATOM 1525 CG PRO A 101 1.487 0.091 -10.148 1.00 0.00 C ATOM 1526 CD PRO A 101 2.982 0.308 -10.314 1.00 0.00 C ATOM 0 HA PRO A 101 2.328 1.823 -7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.425 -0.026 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.528 1.595 -8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.247 -0.971 -10.200 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.939 0.581 -10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.499 -0.631 -10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.195 0.969 -11.154 1.00 0.00 H new ATOM 1534 N LEU A 102 2.240 0.115 -5.757 1.00 0.00 N ATOM 1535 CA LEU A 102 2.432 -0.814 -4.656 1.00 0.00 C ATOM 1536 C LEU A 102 1.662 -2.105 -4.945 1.00 0.00 C ATOM 1537 O LEU A 102 0.531 -2.271 -4.491 1.00 0.00 O ATOM 1538 CB LEU A 102 2.054 -0.156 -3.328 1.00 0.00 C ATOM 1539 CG LEU A 102 2.349 -0.972 -2.068 1.00 0.00 C ATOM 1540 CD1 LEU A 102 3.759 -1.564 -2.115 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.120 -0.136 -0.807 1.00 0.00 C ATOM 0 H LEU A 102 1.781 0.989 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 102 3.484 -1.084 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.582 0.795 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.988 0.072 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 102 1.650 -1.808 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.943 -2.139 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.851 -2.217 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.490 -0.758 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.337 -0.740 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.778 0.733 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.082 0.195 -0.774 1.00 0.00 H new ATOM 1553 N GLN A 103 2.306 -2.985 -5.697 1.00 0.00 N ATOM 1554 CA GLN A 103 1.696 -4.255 -6.051 1.00 0.00 C ATOM 1555 C GLN A 103 1.460 -5.098 -4.796 1.00 0.00 C ATOM 1556 O GLN A 103 2.336 -5.854 -4.378 1.00 0.00 O ATOM 1557 CB GLN A 103 2.555 -5.012 -7.066 1.00 0.00 C ATOM 1558 CG GLN A 103 1.807 -6.225 -7.621 1.00 0.00 C ATOM 1559 CD GLN A 103 2.381 -6.651 -8.974 1.00 0.00 C ATOM 1560 OE1 GLN A 103 2.979 -5.872 -9.697 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.166 -7.929 -9.275 1.00 0.00 N ATOM 0 H GLN A 103 3.244 -2.844 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 103 0.732 -4.055 -6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.831 -4.345 -7.883 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.482 -5.337 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.876 -7.053 -6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.749 -5.986 -7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.657 -8.528 -8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.510 -8.310 -10.156 1.00 0.00 H new ATOM 1570 N ILE A 104 0.272 -4.940 -4.231 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.091 -5.677 -3.033 1.00 0.00 C ATOM 1572 C ILE A 104 -1.010 -6.840 -3.413 1.00 0.00 C ATOM 1573 O ILE A 104 -1.616 -6.832 -4.483 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.690 -4.736 -1.986 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.931 -4.028 -2.532 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.358 -3.745 -1.475 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.852 -3.580 -1.395 1.00 0.00 C ATOM 0 H ILE A 104 -0.452 -4.312 -4.581 1.00 0.00 H new ATOM 0 HA ILE A 104 0.795 -6.110 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.010 -5.334 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.630 -3.163 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.472 -4.698 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.094 -3.088 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.185 -4.291 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.731 -3.149 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.726 -3.080 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.171 -4.450 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.316 -2.891 -0.742 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.084 -7.811 -2.515 1.00 0.00 N ATOM 1590 CA PHE A 105 -1.920 -8.978 -2.743 1.00 0.00 C ATOM 1591 C PHE A 105 -2.843 -9.233 -1.551 1.00 0.00 C ATOM 1592 O PHE A 105 -2.377 -9.419 -0.428 1.00 0.00 O ATOM 1593 CB PHE A 105 -0.981 -10.175 -2.910 1.00 0.00 C ATOM 1594 CG PHE A 105 0.083 -9.985 -3.994 1.00 0.00 C ATOM 1595 CD1 PHE A 105 -0.182 -10.349 -5.278 1.00 0.00 C ATOM 1596 CD2 PHE A 105 1.292 -9.452 -3.674 1.00 0.00 C ATOM 1597 CE1 PHE A 105 0.805 -10.173 -6.283 1.00 0.00 C ATOM 1598 CE2 PHE A 105 2.279 -9.276 -4.680 1.00 0.00 C ATOM 1599 CZ PHE A 105 2.014 -9.640 -5.963 1.00 0.00 C ATOM 0 H PHE A 105 -0.579 -7.814 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.543 -8.823 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.485 -10.370 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.574 -11.058 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.143 -10.772 -5.532 1.00 0.00 H new ATOM 0 HD2 PHE A 105 1.502 -9.162 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.595 -10.463 -7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.240 -8.853 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.764 -9.506 -6.728 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.172 -9.233 -1.842 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.165 -9.461 -0.807 1.00 0.00 C ATOM 1611 C PRO A 106 -5.217 -10.939 -0.413 1.00 0.00 C ATOM 1612 O PRO A 106 -5.688 -11.774 -1.183 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.472 -8.959 -1.398 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.254 -8.898 -2.901 1.00 0.00 C ATOM 1615 CD PRO A 106 -4.761 -9.016 -3.161 1.00 0.00 C ATOM 0 HA PRO A 106 -4.934 -8.936 0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.295 -9.629 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.729 -7.977 -1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.793 -9.705 -3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.639 -7.962 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.540 -9.844 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.367 -8.113 -3.627 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.726 -11.216 0.786 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.710 -12.578 1.291 1.00 0.00 C ATOM 1625 C ARG A 107 -6.115 -12.999 1.727 1.00 0.00 C ATOM 1626 O ARG A 107 -6.467 -12.881 2.899 1.00 0.00 O ATOM 1627 CB ARG A 107 -3.754 -12.714 2.478 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.376 -13.198 2.020 1.00 0.00 C ATOM 1629 CD ARG A 107 -1.703 -14.042 3.105 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.555 -15.439 2.641 1.00 0.00 N ATOM 1631 CZ ARG A 107 -0.950 -16.405 3.346 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -0.433 -16.130 4.551 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -0.862 -17.645 2.845 1.00 0.00 N ATOM 0 H ARG A 107 -4.336 -10.520 1.422 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.366 -13.226 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.656 -11.753 2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.167 -13.415 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.478 -13.786 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.747 -12.341 1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.725 -13.625 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.297 -14.015 4.019 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.937 -15.682 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.500 -15.186 4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.028 -16.865 5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.255 -17.853 1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.402 -18.380 3.381 1.00 0.00 H new