USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 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 85 SER OG : rot 180:sc= 0.00438 USER MOD Set 1.2: A 107 THR OG1 : rot -60:sc= 0.00485 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= -0.0112 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.796 X(o=-0.81,f=-0.73) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00484 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.853 USER MOD Single : A 37 SER OG : rot 55:sc= 0.083 USER MOD Single : A 39 GLN : amide:sc= -0.0856 K(o=-0.086,f=-1.8!) USER MOD Single : A 43 CYS SG : rot 107:sc= -0.167 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 50 TYR OH : rot -150:sc= -0.849 USER MOD Single : A 51 SER OG : rot 170:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.104 X(o=0.1,f=-0.072) USER MOD Single : A 58 ASN : amide:sc= -2.39! C(o=-2.4!,f=-6.1!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 69 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.9) USER MOD Single : A 72 GLN : amide:sc= -1.04 X(o=-1,f=-0.71) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 33:sc= 0.0785 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.115 F(o=-1.7!,f=-0.12) USER MOD Single : A 84 HIS : no HE2:sc= 0.818 K(o=0.82,f=-7.6!) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.131 USER MOD Single : A 93 GLN : amide:sc= -1 K(o=-1,f=-3.5!) USER MOD Single : A 94 SER OG : rot 158:sc= -0.435 USER MOD Single : A 95 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.800 16.549 -1.496 1.00 0.00 N ATOM 185 CA GLY A 16 8.521 16.533 -2.182 1.00 0.00 C ATOM 186 C GLY A 16 7.978 15.129 -2.362 1.00 0.00 C ATOM 187 O GLY A 16 7.341 14.827 -3.372 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.802 17.128 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.630 17.005 -3.158 1.00 0.00 H new ATOM 191 N VAL A 17 8.230 14.268 -1.381 1.00 0.00 N ATOM 192 CA VAL A 17 7.762 12.889 -1.436 1.00 0.00 C ATOM 193 C VAL A 17 6.482 12.710 -0.627 1.00 0.00 C ATOM 194 O VAL A 17 6.243 13.400 0.364 1.00 0.00 O ATOM 195 CB VAL A 17 8.830 11.912 -0.908 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.979 11.791 -1.898 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.335 12.362 0.455 1.00 0.00 C ATOM 0 H VAL A 17 8.756 14.502 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 17 7.561 12.665 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 17 8.374 10.928 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.724 11.097 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.601 11.420 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.437 12.769 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.089 11.661 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.775 13.356 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.504 12.392 1.159 1.00 0.00 H new ATOM 207 N PRO A 18 5.638 11.761 -1.058 1.00 0.00 N ATOM 208 CA PRO A 18 4.367 11.469 -0.388 1.00 0.00 C ATOM 209 C PRO A 18 4.568 10.810 0.972 1.00 0.00 C ATOM 210 O PRO A 18 5.153 9.731 1.070 1.00 0.00 O ATOM 211 CB PRO A 18 3.672 10.504 -1.352 1.00 0.00 C ATOM 212 CG PRO A 18 4.781 9.859 -2.109 1.00 0.00 C ATOM 213 CD PRO A 18 5.858 10.901 -2.233 1.00 0.00 C ATOM 0 HA PRO A 18 3.796 12.375 -0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.079 9.765 -0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.992 11.033 -2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.150 8.977 -1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.443 9.528 -3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.852 10.454 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.769 11.462 -3.164 1.00 0.00 H new ATOM 221 N ASP A 19 4.079 11.465 2.020 1.00 0.00 N ATOM 222 CA ASP A 19 4.204 10.941 3.375 1.00 0.00 C ATOM 223 C ASP A 19 3.483 9.604 3.510 1.00 0.00 C ATOM 224 O ASP A 19 2.577 9.294 2.735 1.00 0.00 O ATOM 225 CB ASP A 19 3.641 11.943 4.385 1.00 0.00 C ATOM 226 CG ASP A 19 4.338 11.863 5.729 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.491 12.332 5.828 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.729 11.333 6.682 1.00 0.00 O ATOM 0 H ASP A 19 3.593 12.359 1.957 1.00 0.00 H new ATOM 0 HA ASP A 19 5.263 10.784 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.742 12.952 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.575 11.759 4.520 1.00 0.00 H new ATOM 233 N THR A 20 3.891 8.814 4.498 1.00 0.00 N ATOM 234 CA THR A 20 3.286 7.509 4.733 1.00 0.00 C ATOM 235 C THR A 20 1.767 7.577 4.613 1.00 0.00 C ATOM 236 O THR A 20 1.108 8.409 5.237 1.00 0.00 O ATOM 237 CB THR A 20 3.655 6.960 6.123 1.00 0.00 C ATOM 238 OG1 THR A 20 5.048 7.173 6.379 1.00 0.00 O ATOM 239 CG2 THR A 20 3.337 5.476 6.222 1.00 0.00 C ATOM 0 H THR A 20 4.638 9.055 5.149 1.00 0.00 H new ATOM 0 HA THR A 20 3.679 6.837 3.970 1.00 0.00 H new ATOM 0 HB THR A 20 3.063 7.492 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.275 6.823 7.266 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.607 5.111 7.213 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.271 5.320 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.905 4.931 5.468 1.00 0.00 H new ATOM 247 N PRO A 21 1.196 6.683 3.793 1.00 0.00 N ATOM 248 CA PRO A 21 -0.252 6.621 3.574 1.00 0.00 C ATOM 249 C PRO A 21 -1.003 6.121 4.803 1.00 0.00 C ATOM 250 O PRO A 21 -0.461 5.366 5.611 1.00 0.00 O ATOM 251 CB PRO A 21 -0.394 5.626 2.419 1.00 0.00 C ATOM 252 CG PRO A 21 0.823 4.771 2.505 1.00 0.00 C ATOM 253 CD PRO A 21 1.921 5.662 3.018 1.00 0.00 C ATOM 0 HA PRO A 21 -0.675 7.603 3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.303 5.032 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.451 6.139 1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.660 3.927 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.079 4.358 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.628 5.112 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.492 6.106 2.203 1.00 0.00 H new ATOM 261 N THR A 22 -2.255 6.546 4.939 1.00 0.00 N ATOM 262 CA THR A 22 -3.081 6.142 6.070 1.00 0.00 C ATOM 263 C THR A 22 -3.371 4.646 6.033 1.00 0.00 C ATOM 264 O THR A 22 -3.114 3.979 5.030 1.00 0.00 O ATOM 265 CB THR A 22 -4.415 6.911 6.095 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.253 8.194 5.479 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.912 7.087 7.522 1.00 0.00 C ATOM 0 H THR A 22 -2.719 7.170 4.279 1.00 0.00 H new ATOM 0 HA THR A 22 -2.517 6.378 6.972 1.00 0.00 H new ATOM 0 HB THR A 22 -5.153 6.332 5.539 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.106 8.676 5.497 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.855 7.633 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.063 6.109 7.978 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.174 7.646 8.098 1.00 0.00 H new ATOM 275 N ARG A 23 -3.908 4.124 7.131 1.00 0.00 N ATOM 276 CA ARG A 23 -4.232 2.705 7.223 1.00 0.00 C ATOM 277 C ARG A 23 -4.895 2.215 5.939 1.00 0.00 C ATOM 278 O ARG A 23 -5.366 3.012 5.127 1.00 0.00 O ATOM 279 CB ARG A 23 -5.154 2.448 8.416 1.00 0.00 C ATOM 280 CG ARG A 23 -6.493 3.160 8.317 1.00 0.00 C ATOM 281 CD ARG A 23 -7.532 2.298 7.619 1.00 0.00 C ATOM 282 NE ARG A 23 -7.518 2.488 6.171 1.00 0.00 N ATOM 283 CZ ARG A 23 -8.004 3.566 5.566 1.00 0.00 C ATOM 284 NH1 ARG A 23 -8.540 4.546 6.281 1.00 0.00 N ATOM 285 NH2 ARG A 23 -7.955 3.666 4.244 1.00 0.00 N ATOM 0 H ARG A 23 -4.128 4.662 7.969 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.303 2.153 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.328 1.376 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.650 2.766 9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.844 3.417 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.369 4.096 7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.346 1.249 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.522 2.538 8.007 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.113 1.752 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.580 4.473 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.913 5.373 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.544 2.914 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.329 4.494 3.781 1.00 0.00 H new ATOM 299 N LEU A 24 -4.927 0.899 5.762 1.00 0.00 N ATOM 300 CA LEU A 24 -5.532 0.301 4.576 1.00 0.00 C ATOM 301 C LEU A 24 -6.858 -0.369 4.921 1.00 0.00 C ATOM 302 O LEU A 24 -7.121 -0.690 6.080 1.00 0.00 O ATOM 303 CB LEU A 24 -4.578 -0.720 3.953 1.00 0.00 C ATOM 304 CG LEU A 24 -3.085 -0.449 4.145 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.255 -1.533 3.476 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.717 0.922 3.597 1.00 0.00 C ATOM 0 H LEU A 24 -4.541 0.225 6.424 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.724 1.096 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.805 -1.701 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.783 -0.773 2.884 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.868 -0.462 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.196 -1.323 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.498 -2.500 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.476 -1.554 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.651 1.098 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.950 0.963 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.286 1.689 4.123 1.00 0.00 H new ATOM 318 N VAL A 25 -7.690 -0.580 3.906 1.00 0.00 N ATOM 319 CA VAL A 25 -8.987 -1.216 4.100 1.00 0.00 C ATOM 320 C VAL A 25 -9.097 -2.501 3.288 1.00 0.00 C ATOM 321 O VAL A 25 -8.951 -2.490 2.065 1.00 0.00 O ATOM 322 CB VAL A 25 -10.139 -0.272 3.705 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.478 -0.985 3.823 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.117 0.983 4.564 1.00 0.00 C ATOM 0 H VAL A 25 -7.488 -0.319 2.941 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.068 -1.453 5.161 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.003 0.024 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.280 -0.303 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.488 -1.851 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.626 -1.312 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.937 1.639 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.228 0.708 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.169 1.503 4.424 1.00 0.00 H new ATOM 334 N PHE A 26 -9.355 -3.609 3.975 1.00 0.00 N ATOM 335 CA PHE A 26 -9.484 -4.904 3.317 1.00 0.00 C ATOM 336 C PHE A 26 -10.942 -5.354 3.283 1.00 0.00 C ATOM 337 O PHE A 26 -11.658 -5.251 4.279 1.00 0.00 O ATOM 338 CB PHE A 26 -8.632 -5.952 4.036 1.00 0.00 C ATOM 339 CG PHE A 26 -7.211 -5.518 4.260 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.863 -4.796 5.390 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.224 -5.833 3.340 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.557 -4.396 5.599 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.916 -5.436 3.544 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.582 -4.715 4.674 1.00 0.00 C ATOM 0 H PHE A 26 -9.479 -3.636 4.987 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.130 -4.799 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.089 -6.182 4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.635 -6.873 3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.621 -4.543 6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.480 -6.395 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.299 -3.835 6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.155 -5.689 2.820 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.561 -4.401 4.834 1.00 0.00 H new ATOM 354 N SER A 27 -11.374 -5.853 2.130 1.00 0.00 N ATOM 355 CA SER A 27 -12.747 -6.314 1.963 1.00 0.00 C ATOM 356 C SER A 27 -12.822 -7.836 2.042 1.00 0.00 C ATOM 357 O SER A 27 -13.802 -8.396 2.532 1.00 0.00 O ATOM 358 CB SER A 27 -13.310 -5.834 0.624 1.00 0.00 C ATOM 359 OG SER A 27 -14.706 -6.068 0.545 1.00 0.00 O ATOM 0 H SER A 27 -10.793 -5.949 1.297 1.00 0.00 H new ATOM 0 HA SER A 27 -13.345 -5.895 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.109 -4.770 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.805 -6.350 -0.193 1.00 0.00 H new ATOM 0 HG SER A 27 -15.042 -5.751 -0.319 1.00 0.00 H new ATOM 365 N ALA A 28 -11.778 -8.500 1.557 1.00 0.00 N ATOM 366 CA ALA A 28 -11.723 -9.956 1.574 1.00 0.00 C ATOM 367 C ALA A 28 -12.920 -10.559 0.847 1.00 0.00 C ATOM 368 O ALA A 28 -13.639 -11.393 1.400 1.00 0.00 O ATOM 369 CB ALA A 28 -11.661 -10.465 3.006 1.00 0.00 C ATOM 0 H ALA A 28 -10.958 -8.052 1.147 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.819 -10.267 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.620 -11.554 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.770 -10.070 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.548 -10.136 3.548 1.00 0.00 H new ATOM 375 N LEU A 29 -13.130 -10.133 -0.393 1.00 0.00 N ATOM 376 CA LEU A 29 -14.241 -10.631 -1.196 1.00 0.00 C ATOM 377 C LEU A 29 -14.409 -12.136 -1.019 1.00 0.00 C ATOM 378 O LEU A 29 -15.518 -12.662 -1.107 1.00 0.00 O ATOM 379 CB LEU A 29 -14.018 -10.301 -2.673 1.00 0.00 C ATOM 380 CG LEU A 29 -13.919 -8.815 -3.021 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.700 -7.979 -2.020 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.463 -8.374 -3.066 1.00 0.00 C ATOM 0 H LEU A 29 -12.545 -9.443 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.152 -10.140 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.102 -10.792 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.835 -10.735 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.355 -8.663 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.618 -6.925 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.748 -8.277 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.294 -8.135 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.411 -7.314 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.002 -8.541 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.931 -8.951 -3.823 1.00 0.00 H new ATOM 394 N GLY A 30 -13.300 -12.825 -0.767 1.00 0.00 N ATOM 395 CA GLY A 30 -13.346 -14.263 -0.580 1.00 0.00 C ATOM 396 C GLY A 30 -12.073 -14.809 0.035 1.00 0.00 C ATOM 397 O GLY A 30 -11.237 -14.065 0.548 1.00 0.00 O ATOM 0 H GLY A 30 -12.370 -12.412 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.192 -14.516 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.517 -14.746 -1.542 1.00 0.00 H new ATOM 401 N PRO A 31 -11.912 -16.140 -0.012 1.00 0.00 N ATOM 402 CA PRO A 31 -10.734 -16.815 0.542 1.00 0.00 C ATOM 403 C PRO A 31 -9.472 -16.536 -0.268 1.00 0.00 C ATOM 404 O PRO A 31 -8.363 -16.551 0.265 1.00 0.00 O ATOM 405 CB PRO A 31 -11.104 -18.298 0.461 1.00 0.00 C ATOM 406 CG PRO A 31 -12.099 -18.380 -0.645 1.00 0.00 C ATOM 407 CD PRO A 31 -12.867 -17.088 -0.608 1.00 0.00 C ATOM 0 HA PRO A 31 -10.505 -16.473 1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.229 -18.914 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.527 -18.653 1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.603 -18.512 -1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.764 -19.233 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.174 -16.775 -1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.773 -17.176 -0.008 1.00 0.00 H new ATOM 415 N THR A 32 -9.649 -16.280 -1.561 1.00 0.00 N ATOM 416 CA THR A 32 -8.525 -15.998 -2.445 1.00 0.00 C ATOM 417 C THR A 32 -8.675 -14.633 -3.107 1.00 0.00 C ATOM 418 O THR A 32 -8.071 -14.367 -4.146 1.00 0.00 O ATOM 419 CB THR A 32 -8.387 -17.074 -3.539 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.625 -17.217 -4.245 1.00 0.00 O ATOM 421 CG2 THR A 32 -7.985 -18.411 -2.935 1.00 0.00 C ATOM 0 H THR A 32 -10.560 -16.262 -2.019 1.00 0.00 H new ATOM 0 HA THR A 32 -7.628 -16.002 -1.826 1.00 0.00 H new ATOM 0 HB THR A 32 -7.608 -16.757 -4.233 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.528 -17.901 -4.940 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.894 -19.155 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.028 -18.306 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.745 -18.731 -2.222 1.00 0.00 H new ATOM 429 N SER A 33 -9.482 -13.771 -2.498 1.00 0.00 N ATOM 430 CA SER A 33 -9.713 -12.433 -3.030 1.00 0.00 C ATOM 431 C SER A 33 -9.695 -11.393 -1.914 1.00 0.00 C ATOM 432 O SER A 33 -10.087 -11.675 -0.781 1.00 0.00 O ATOM 433 CB SER A 33 -11.051 -12.380 -3.770 1.00 0.00 C ATOM 434 OG SER A 33 -12.037 -13.144 -3.097 1.00 0.00 O ATOM 0 H SER A 33 -9.987 -13.975 -1.636 1.00 0.00 H new ATOM 0 HA SER A 33 -8.909 -12.203 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.383 -11.345 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.924 -12.757 -4.785 1.00 0.00 H new ATOM 0 HG SER A 33 -12.883 -13.092 -3.589 1.00 0.00 H new ATOM 440 N LEU A 34 -9.237 -10.191 -2.242 1.00 0.00 N ATOM 441 CA LEU A 34 -9.166 -9.107 -1.268 1.00 0.00 C ATOM 442 C LEU A 34 -9.198 -7.748 -1.962 1.00 0.00 C ATOM 443 O LEU A 34 -9.008 -7.655 -3.175 1.00 0.00 O ATOM 444 CB LEU A 34 -7.896 -9.233 -0.426 1.00 0.00 C ATOM 445 CG LEU A 34 -8.026 -10.032 0.871 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.714 -10.725 1.205 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.460 -9.127 2.014 1.00 0.00 C ATOM 0 H LEU A 34 -8.909 -9.942 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.036 -9.181 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.123 -9.697 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.548 -8.230 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.790 -10.796 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.826 -11.289 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.446 -11.405 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.929 -9.979 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.547 -9.713 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.719 -8.340 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.425 -8.679 1.777 1.00 0.00 H new ATOM 459 N ARG A 35 -9.437 -6.698 -1.184 1.00 0.00 N ATOM 460 CA ARG A 35 -9.492 -5.345 -1.723 1.00 0.00 C ATOM 461 C ARG A 35 -8.853 -4.349 -0.760 1.00 0.00 C ATOM 462 O ARG A 35 -9.437 -3.998 0.265 1.00 0.00 O ATOM 463 CB ARG A 35 -10.942 -4.942 -2.001 1.00 0.00 C ATOM 464 CG ARG A 35 -11.083 -3.556 -2.608 1.00 0.00 C ATOM 465 CD ARG A 35 -12.535 -3.102 -2.628 1.00 0.00 C ATOM 466 NE ARG A 35 -12.692 -1.800 -3.271 1.00 0.00 N ATOM 467 CZ ARG A 35 -12.455 -0.645 -2.659 1.00 0.00 C ATOM 468 NH1 ARG A 35 -12.051 -0.631 -1.397 1.00 0.00 N ATOM 469 NH2 ARG A 35 -12.621 0.498 -3.311 1.00 0.00 N ATOM 0 H ARG A 35 -9.596 -6.758 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.932 -5.331 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.390 -5.672 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.506 -4.980 -1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.486 -2.845 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.688 -3.560 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.139 -3.841 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.913 -3.050 -1.607 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.000 -1.776 -4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.921 -1.508 -0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.870 0.257 -0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.931 0.490 -4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.439 1.385 -2.841 1.00 0.00 H new ATOM 483 N VAL A 36 -7.648 -3.898 -1.096 1.00 0.00 N ATOM 484 CA VAL A 36 -6.929 -2.943 -0.262 1.00 0.00 C ATOM 485 C VAL A 36 -7.186 -1.511 -0.720 1.00 0.00 C ATOM 486 O VAL A 36 -6.989 -1.177 -1.888 1.00 0.00 O ATOM 487 CB VAL A 36 -5.413 -3.212 -0.281 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.645 -1.973 0.154 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.072 -4.399 0.607 1.00 0.00 C ATOM 0 H VAL A 36 -7.150 -4.179 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.300 -3.068 0.755 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.117 -3.454 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.575 -2.182 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.866 -1.150 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.942 -1.697 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.997 -4.575 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.381 -4.188 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.593 -5.285 0.246 1.00 0.00 H new ATOM 499 N SER A 37 -7.626 -0.669 0.209 1.00 0.00 N ATOM 500 CA SER A 37 -7.913 0.727 -0.099 1.00 0.00 C ATOM 501 C SER A 37 -7.213 1.657 0.887 1.00 0.00 C ATOM 502 O SER A 37 -7.254 1.439 2.098 1.00 0.00 O ATOM 503 CB SER A 37 -9.422 0.978 -0.070 1.00 0.00 C ATOM 504 OG SER A 37 -9.707 2.345 0.173 1.00 0.00 O ATOM 0 H SER A 37 -7.792 -0.929 1.181 1.00 0.00 H new ATOM 0 HA SER A 37 -7.536 0.937 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.863 0.675 -1.020 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.881 0.364 0.705 1.00 0.00 H new ATOM 0 HG SER A 37 -9.240 2.899 -0.487 1.00 0.00 H new ATOM 510 N TRP A 38 -6.570 2.693 0.359 1.00 0.00 N ATOM 511 CA TRP A 38 -5.860 3.656 1.193 1.00 0.00 C ATOM 512 C TRP A 38 -6.369 5.072 0.943 1.00 0.00 C ATOM 513 O TRP A 38 -7.304 5.276 0.169 1.00 0.00 O ATOM 514 CB TRP A 38 -4.357 3.586 0.921 1.00 0.00 C ATOM 515 CG TRP A 38 -4.011 3.683 -0.535 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.539 4.782 -1.194 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.113 2.640 -1.511 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.341 4.485 -2.521 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.685 3.178 -2.740 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.521 1.305 -1.465 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.656 2.426 -3.912 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.493 0.560 -2.628 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.062 1.121 -3.838 1.00 0.00 C ATOM 0 H TRP A 38 -6.526 2.887 -0.641 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.046 3.402 2.237 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.860 4.393 1.460 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.966 2.649 1.318 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.349 5.743 -0.739 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.994 5.133 -3.228 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.852 0.863 -0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.325 2.857 -4.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.809 -0.473 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.050 0.512 -4.730 1.00 0.00 H new ATOM 534 N GLN A 39 -5.748 6.044 1.602 1.00 0.00 N ATOM 535 CA GLN A 39 -6.140 7.440 1.451 1.00 0.00 C ATOM 536 C GLN A 39 -4.986 8.273 0.902 1.00 0.00 C ATOM 537 O GLN A 39 -3.851 8.156 1.362 1.00 0.00 O ATOM 538 CB GLN A 39 -6.603 8.011 2.792 1.00 0.00 C ATOM 539 CG GLN A 39 -7.235 9.389 2.682 1.00 0.00 C ATOM 540 CD GLN A 39 -8.721 9.328 2.390 1.00 0.00 C ATOM 541 OE1 GLN A 39 -9.300 8.247 2.279 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.348 10.492 2.265 1.00 0.00 N ATOM 0 H GLN A 39 -4.972 5.891 2.246 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.966 7.484 0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.322 7.326 3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.750 8.065 3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.074 9.934 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.736 9.951 1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.829 11.364 2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.349 10.514 2.069 1.00 0.00 H new ATOM 551 N GLU A 40 -5.286 9.113 -0.084 1.00 0.00 N ATOM 552 CA GLU A 40 -4.272 9.964 -0.696 1.00 0.00 C ATOM 553 C GLU A 40 -3.548 10.794 0.361 1.00 0.00 C ATOM 554 O GLU A 40 -4.100 11.732 0.936 1.00 0.00 O ATOM 555 CB GLU A 40 -4.910 10.888 -1.736 1.00 0.00 C ATOM 556 CG GLU A 40 -3.899 11.667 -2.560 1.00 0.00 C ATOM 557 CD GLU A 40 -4.434 13.007 -3.025 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.255 13.025 -3.965 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.030 14.039 -2.448 1.00 0.00 O ATOM 0 H GLU A 40 -6.222 9.222 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.544 9.320 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.531 10.293 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.571 11.591 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.998 11.826 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.610 11.075 -3.428 1.00 0.00 H new ATOM 566 N PRO A 41 -2.281 10.440 0.624 1.00 0.00 N ATOM 567 CA PRO A 41 -1.454 11.138 1.612 1.00 0.00 C ATOM 568 C PRO A 41 -1.071 12.542 1.159 1.00 0.00 C ATOM 569 O PRO A 41 -1.462 12.985 0.079 1.00 0.00 O ATOM 570 CB PRO A 41 -0.209 10.253 1.721 1.00 0.00 C ATOM 571 CG PRO A 41 -0.136 9.540 0.415 1.00 0.00 C ATOM 572 CD PRO A 41 -1.559 9.332 -0.023 1.00 0.00 C ATOM 0 HA PRO A 41 -1.979 11.278 2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.686 10.849 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.293 9.551 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.417 10.126 -0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.384 8.587 0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.655 9.369 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.940 8.362 0.297 1.00 0.00 H new ATOM 580 N ARG A 42 -0.303 13.239 1.992 1.00 0.00 N ATOM 581 CA ARG A 42 0.132 14.594 1.676 1.00 0.00 C ATOM 582 C ARG A 42 1.385 14.574 0.806 1.00 0.00 C ATOM 583 O ARG A 42 2.307 13.794 1.047 1.00 0.00 O ATOM 584 CB ARG A 42 0.403 15.378 2.962 1.00 0.00 C ATOM 585 CG ARG A 42 1.697 14.983 3.654 1.00 0.00 C ATOM 586 CD ARG A 42 2.017 15.917 4.811 1.00 0.00 C ATOM 587 NE ARG A 42 1.326 15.527 6.037 1.00 0.00 N ATOM 588 CZ ARG A 42 1.218 16.314 7.102 1.00 0.00 C ATOM 589 NH1 ARG A 42 1.753 17.527 7.091 1.00 0.00 N ATOM 590 NH2 ARG A 42 0.573 15.888 8.180 1.00 0.00 N ATOM 0 H ARG A 42 0.030 12.887 2.890 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.667 15.085 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.436 16.442 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.428 15.228 3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.617 13.960 4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.516 14.999 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.093 15.921 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.734 16.935 4.544 1.00 0.00 H new ATOM 0 HE ARG A 42 0.903 14.600 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.249 17.858 6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.669 18.129 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.160 14.956 8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.491 16.493 8.997 1.00 0.00 H new ATOM 604 N CYS A 43 1.411 15.436 -0.204 1.00 0.00 N ATOM 605 CA CYS A 43 2.551 15.517 -1.111 1.00 0.00 C ATOM 606 C CYS A 43 2.529 16.825 -1.896 1.00 0.00 C ATOM 607 O CYS A 43 1.594 17.091 -2.649 1.00 0.00 O ATOM 608 CB CYS A 43 2.547 14.329 -2.074 1.00 0.00 C ATOM 609 SG CYS A 43 1.081 14.238 -3.128 1.00 0.00 S ATOM 0 H CYS A 43 0.656 16.089 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 43 3.463 15.488 -0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.433 14.385 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.624 13.407 -1.497 1.00 0.00 H new ATOM 0 HG CYS A 43 1.400 14.566 -4.345 1.00 0.00 H new ATOM 615 N GLU A 44 3.566 17.636 -1.712 1.00 0.00 N ATOM 616 CA GLU A 44 3.664 18.917 -2.401 1.00 0.00 C ATOM 617 C GLU A 44 3.567 18.730 -3.913 1.00 0.00 C ATOM 618 O GLU A 44 3.126 19.627 -4.633 1.00 0.00 O ATOM 619 CB GLU A 44 4.979 19.614 -2.046 1.00 0.00 C ATOM 620 CG GLU A 44 4.970 20.269 -0.675 1.00 0.00 C ATOM 621 CD GLU A 44 3.962 21.398 -0.574 1.00 0.00 C ATOM 622 OE1 GLU A 44 3.694 22.046 -1.607 1.00 0.00 O ATOM 623 OE2 GLU A 44 3.443 21.633 0.537 1.00 0.00 O ATOM 0 H GLU A 44 4.349 17.429 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 44 2.832 19.540 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.789 18.886 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.194 20.371 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.745 19.517 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.965 20.655 -0.454 1.00 0.00 H new ATOM 630 N ARG A 45 3.983 17.560 -4.386 1.00 0.00 N ATOM 631 CA ARG A 45 3.945 17.256 -5.811 1.00 0.00 C ATOM 632 C ARG A 45 2.812 16.285 -6.130 1.00 0.00 C ATOM 633 O ARG A 45 2.392 15.486 -5.293 1.00 0.00 O ATOM 634 CB ARG A 45 5.281 16.663 -6.263 1.00 0.00 C ATOM 635 CG ARG A 45 6.480 17.530 -5.917 1.00 0.00 C ATOM 636 CD ARG A 45 6.678 18.640 -6.937 1.00 0.00 C ATOM 637 NE ARG A 45 7.817 19.492 -6.604 1.00 0.00 N ATOM 638 CZ ARG A 45 8.433 20.272 -7.485 1.00 0.00 C ATOM 639 NH1 ARG A 45 8.022 20.309 -8.745 1.00 0.00 N ATOM 640 NH2 ARG A 45 9.462 21.019 -7.106 1.00 0.00 N ATOM 0 H ARG A 45 4.350 16.807 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 45 3.766 18.186 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.408 15.683 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.254 16.509 -7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.342 17.965 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.377 16.912 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.829 18.203 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.775 19.247 -6.992 1.00 0.00 H new ATOM 0 HE ARG A 45 8.158 19.488 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.231 19.737 -9.040 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.497 20.909 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.781 20.995 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.934 21.618 -7.783 1.00 0.00 H new ATOM 654 N PRO A 46 2.303 16.355 -7.369 1.00 0.00 N ATOM 655 CA PRO A 46 1.211 15.490 -7.827 1.00 0.00 C ATOM 656 C PRO A 46 1.649 14.038 -7.983 1.00 0.00 C ATOM 657 O PRO A 46 2.692 13.753 -8.574 1.00 0.00 O ATOM 658 CB PRO A 46 0.834 16.084 -9.186 1.00 0.00 C ATOM 659 CG PRO A 46 2.070 16.771 -9.656 1.00 0.00 C ATOM 660 CD PRO A 46 2.754 17.284 -8.419 1.00 0.00 C ATOM 0 HA PRO A 46 0.386 15.463 -7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.523 15.307 -9.885 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.003 16.783 -9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.715 16.083 -10.202 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.828 17.588 -10.336 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.839 17.273 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.466 18.312 -8.197 1.00 0.00 H new ATOM 668 N LEU A 47 0.847 13.123 -7.451 1.00 0.00 N ATOM 669 CA LEU A 47 1.152 11.698 -7.532 1.00 0.00 C ATOM 670 C LEU A 47 0.889 11.164 -8.937 1.00 0.00 C ATOM 671 O LEU A 47 0.057 11.699 -9.668 1.00 0.00 O ATOM 672 CB LEU A 47 0.318 10.919 -6.514 1.00 0.00 C ATOM 673 CG LEU A 47 0.402 11.404 -5.066 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.822 10.957 -4.281 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.675 10.897 -4.406 1.00 0.00 C ATOM 0 H LEU A 47 -0.019 13.342 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 47 2.210 11.564 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.725 10.952 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.627 9.874 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 47 0.428 12.494 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.744 11.311 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.720 11.370 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.880 9.869 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.717 11.252 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.680 9.807 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.541 11.268 -4.954 1.00 0.00 H new ATOM 687 N GLN A 48 1.603 10.106 -9.305 1.00 0.00 N ATOM 688 CA GLN A 48 1.446 9.499 -10.621 1.00 0.00 C ATOM 689 C GLN A 48 0.728 8.157 -10.519 1.00 0.00 C ATOM 690 O GLN A 48 0.247 7.621 -11.517 1.00 0.00 O ATOM 691 CB GLN A 48 2.810 9.311 -11.286 1.00 0.00 C ATOM 692 CG GLN A 48 3.505 10.619 -11.628 1.00 0.00 C ATOM 693 CD GLN A 48 4.927 10.415 -12.114 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.370 9.284 -12.316 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.651 11.512 -12.303 1.00 0.00 N ATOM 0 H GLN A 48 2.296 9.651 -8.711 1.00 0.00 H new ATOM 0 HA GLN A 48 0.841 10.169 -11.232 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.452 8.731 -10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.683 8.727 -12.198 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.934 11.139 -12.397 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.515 11.262 -10.748 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.243 12.429 -12.123 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.615 11.437 -12.628 1.00 0.00 H new ATOM 704 N GLY A 49 0.659 7.618 -9.306 1.00 0.00 N ATOM 705 CA GLY A 49 -0.002 6.343 -9.096 1.00 0.00 C ATOM 706 C GLY A 49 0.199 5.810 -7.691 1.00 0.00 C ATOM 707 O GLY A 49 0.354 6.581 -6.744 1.00 0.00 O ATOM 0 H GLY A 49 1.049 8.042 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.069 6.454 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.379 5.617 -9.815 1.00 0.00 H new ATOM 711 N TYR A 50 0.195 4.489 -7.556 1.00 0.00 N ATOM 712 CA TYR A 50 0.374 3.853 -6.256 1.00 0.00 C ATOM 713 C TYR A 50 0.991 2.466 -6.408 1.00 0.00 C ATOM 714 O TYR A 50 1.086 1.934 -7.514 1.00 0.00 O ATOM 715 CB TYR A 50 -0.966 3.750 -5.526 1.00 0.00 C ATOM 716 CG TYR A 50 -1.425 5.055 -4.915 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.845 5.541 -3.750 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.439 5.802 -5.503 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.261 6.732 -3.187 1.00 0.00 C ATOM 720 CE2 TYR A 50 -2.860 6.995 -4.948 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.269 7.456 -3.791 1.00 0.00 C ATOM 722 OH TYR A 50 -2.687 8.643 -3.235 1.00 0.00 O ATOM 0 H TYR A 50 0.070 3.837 -8.331 1.00 0.00 H new ATOM 0 HA TYR A 50 1.054 4.471 -5.669 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.725 3.399 -6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.885 2.999 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.055 4.978 -3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.906 5.444 -6.409 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.800 7.094 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.648 7.564 -5.418 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.634 8.785 -3.441 1.00 0.00 H new ATOM 732 N SER A 51 1.410 1.886 -5.287 1.00 0.00 N ATOM 733 CA SER A 51 2.021 0.562 -5.294 1.00 0.00 C ATOM 734 C SER A 51 1.554 -0.258 -4.096 1.00 0.00 C ATOM 735 O SER A 51 1.492 0.242 -2.973 1.00 0.00 O ATOM 736 CB SER A 51 3.546 0.682 -5.282 1.00 0.00 C ATOM 737 OG SER A 51 4.150 -0.541 -4.896 1.00 0.00 O ATOM 0 H SER A 51 1.337 2.312 -4.363 1.00 0.00 H new ATOM 0 HA SER A 51 1.711 0.050 -6.205 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.899 0.969 -6.272 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.847 1.473 -4.595 1.00 0.00 H new ATOM 0 HG SER A 51 5.117 -0.491 -5.050 1.00 0.00 H new ATOM 743 N VAL A 52 1.226 -1.522 -4.343 1.00 0.00 N ATOM 744 CA VAL A 52 0.766 -2.414 -3.286 1.00 0.00 C ATOM 745 C VAL A 52 1.592 -3.694 -3.247 1.00 0.00 C ATOM 746 O VAL A 52 1.410 -4.587 -4.074 1.00 0.00 O ATOM 747 CB VAL A 52 -0.719 -2.780 -3.468 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.247 -3.499 -2.235 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.543 -1.535 -3.762 1.00 0.00 C ATOM 0 H VAL A 52 1.270 -1.952 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 52 0.889 -1.878 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.807 -3.455 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.298 -3.750 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.675 -4.413 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.147 -2.850 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.590 -1.813 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.451 -0.833 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.180 -1.066 -4.676 1.00 0.00 H new ATOM 759 N GLU A 53 2.502 -3.776 -2.281 1.00 0.00 N ATOM 760 CA GLU A 53 3.358 -4.947 -2.135 1.00 0.00 C ATOM 761 C GLU A 53 2.830 -5.874 -1.045 1.00 0.00 C ATOM 762 O GLU A 53 2.836 -5.527 0.137 1.00 0.00 O ATOM 763 CB GLU A 53 4.791 -4.522 -1.809 1.00 0.00 C ATOM 764 CG GLU A 53 5.584 -4.072 -3.025 1.00 0.00 C ATOM 765 CD GLU A 53 6.731 -3.148 -2.663 1.00 0.00 C ATOM 766 OE1 GLU A 53 7.764 -3.648 -2.173 1.00 0.00 O ATOM 767 OE2 GLU A 53 6.594 -1.924 -2.872 1.00 0.00 O ATOM 0 H GLU A 53 2.665 -3.045 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 53 3.354 -5.488 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.764 -3.710 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.310 -5.356 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.977 -4.947 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.917 -3.563 -3.721 1.00 0.00 H new ATOM 774 N TYR A 54 2.372 -7.054 -1.449 1.00 0.00 N ATOM 775 CA TYR A 54 1.838 -8.030 -0.508 1.00 0.00 C ATOM 776 C TYR A 54 2.585 -9.356 -0.615 1.00 0.00 C ATOM 777 O TYR A 54 2.976 -9.774 -1.704 1.00 0.00 O ATOM 778 CB TYR A 54 0.345 -8.251 -0.762 1.00 0.00 C ATOM 779 CG TYR A 54 0.058 -9.133 -1.956 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.082 -10.518 -1.842 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.234 -8.583 -3.197 1.00 0.00 C ATOM 782 CE1 TYR A 54 -0.179 -11.328 -2.931 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.498 -9.385 -4.290 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.469 -10.757 -4.152 1.00 0.00 C ATOM 785 OH TYR A 54 -0.729 -11.560 -5.239 1.00 0.00 O ATOM 0 H TYR A 54 2.360 -7.357 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 54 1.974 -7.637 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.104 -8.698 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.137 -7.285 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.308 -10.969 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.255 -7.509 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.156 -12.403 -2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.726 -8.940 -5.247 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.915 -11.001 -6.022 1.00 0.00 H new ATOM 795 N GLN A 55 2.778 -10.013 0.525 1.00 0.00 N ATOM 796 CA GLN A 55 3.478 -11.291 0.560 1.00 0.00 C ATOM 797 C GLN A 55 3.200 -12.028 1.866 1.00 0.00 C ATOM 798 O GLN A 55 2.891 -11.411 2.886 1.00 0.00 O ATOM 799 CB GLN A 55 4.983 -11.077 0.391 1.00 0.00 C ATOM 800 CG GLN A 55 5.711 -10.819 1.701 1.00 0.00 C ATOM 801 CD GLN A 55 7.129 -10.324 1.492 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.460 -9.190 1.840 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.975 -11.173 0.922 1.00 0.00 N ATOM 0 H GLN A 55 2.459 -9.681 1.435 1.00 0.00 H new ATOM 0 HA GLN A 55 3.110 -11.901 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.415 -11.955 -0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.149 -10.234 -0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.155 -10.083 2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.733 -11.738 2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.658 -12.103 0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.942 -10.895 0.757 1.00 0.00 H new ATOM 812 N LEU A 56 3.312 -13.351 1.828 1.00 0.00 N ATOM 813 CA LEU A 56 3.073 -14.174 3.009 1.00 0.00 C ATOM 814 C LEU A 56 3.814 -13.616 4.220 1.00 0.00 C ATOM 815 O LEU A 56 5.041 -13.504 4.212 1.00 0.00 O ATOM 816 CB LEU A 56 3.510 -15.616 2.748 1.00 0.00 C ATOM 817 CG LEU A 56 2.515 -16.491 1.985 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.185 -17.772 1.512 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.308 -16.809 2.855 1.00 0.00 C ATOM 0 H LEU A 56 3.567 -13.877 0.992 1.00 0.00 H new ATOM 0 HA LEU A 56 2.004 -14.159 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.447 -15.595 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.720 -16.090 3.707 1.00 0.00 H new ATOM 0 HG LEU A 56 2.172 -15.939 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.462 -18.382 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.017 -17.525 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.557 -18.328 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.610 -17.432 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.634 -17.341 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.814 -15.882 3.145 1.00 0.00 H new ATOM 831 N LEU A 57 3.063 -13.271 5.260 1.00 0.00 N ATOM 832 CA LEU A 57 3.650 -12.727 6.480 1.00 0.00 C ATOM 833 C LEU A 57 4.878 -13.529 6.898 1.00 0.00 C ATOM 834 O LEU A 57 5.966 -12.978 7.059 1.00 0.00 O ATOM 835 CB LEU A 57 2.618 -12.728 7.609 1.00 0.00 C ATOM 836 CG LEU A 57 2.889 -11.767 8.767 1.00 0.00 C ATOM 837 CD1 LEU A 57 2.874 -10.326 8.279 1.00 0.00 C ATOM 838 CD2 LEU A 57 1.867 -11.967 9.877 1.00 0.00 C ATOM 0 H LEU A 57 2.047 -13.358 5.283 1.00 0.00 H new ATOM 0 HA LEU A 57 3.960 -11.701 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.644 -12.487 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.549 -13.739 8.011 1.00 0.00 H new ATOM 0 HG LEU A 57 3.879 -11.983 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.069 -9.656 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.644 -10.191 7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.898 -10.097 7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.076 -11.275 10.693 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.866 -11.779 9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.926 -12.991 10.246 1.00 0.00 H new ATOM 850 N ASN A 58 4.697 -14.835 7.069 1.00 0.00 N ATOM 851 CA ASN A 58 5.791 -15.713 7.466 1.00 0.00 C ATOM 852 C ASN A 58 6.994 -15.535 6.544 1.00 0.00 C ATOM 853 O ASN A 58 8.139 -15.536 6.993 1.00 0.00 O ATOM 854 CB ASN A 58 5.333 -17.173 7.449 1.00 0.00 C ATOM 855 CG ASN A 58 4.925 -17.634 6.063 1.00 0.00 C ATOM 856 OD1 ASN A 58 5.736 -17.648 5.137 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.661 -18.015 5.915 1.00 0.00 N ATOM 0 H ASN A 58 3.803 -15.308 6.939 1.00 0.00 H new ATOM 0 HA ASN A 58 6.089 -15.444 8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.138 -17.808 7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.492 -17.295 8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.328 -18.336 5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.023 -17.987 6.711 1.00 0.00 H new ATOM 864 N GLY A 59 6.724 -15.381 5.251 1.00 0.00 N ATOM 865 CA GLY A 59 7.793 -15.203 4.287 1.00 0.00 C ATOM 866 C GLY A 59 7.604 -16.057 3.048 1.00 0.00 C ATOM 867 O GLY A 59 7.647 -17.284 3.119 1.00 0.00 O ATOM 0 H GLY A 59 5.784 -15.376 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.846 -14.154 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.745 -15.452 4.755 1.00 0.00 H new ATOM 871 N GLY A 60 7.392 -15.405 1.909 1.00 0.00 N ATOM 872 CA GLY A 60 7.198 -16.128 0.666 1.00 0.00 C ATOM 873 C GLY A 60 7.228 -15.218 -0.546 1.00 0.00 C ATOM 874 O GLY A 60 7.578 -14.043 -0.438 1.00 0.00 O ATOM 0 H GLY A 60 7.351 -14.389 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.974 -16.887 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.243 -16.652 0.699 1.00 0.00 H new ATOM 878 N GLU A 61 6.861 -15.761 -1.702 1.00 0.00 N ATOM 879 CA GLU A 61 6.851 -14.989 -2.939 1.00 0.00 C ATOM 880 C GLU A 61 6.217 -13.618 -2.720 1.00 0.00 C ATOM 881 O GLU A 61 5.133 -13.507 -2.146 1.00 0.00 O ATOM 882 CB GLU A 61 6.091 -15.745 -4.032 1.00 0.00 C ATOM 883 CG GLU A 61 6.394 -15.251 -5.436 1.00 0.00 C ATOM 884 CD GLU A 61 6.140 -16.308 -6.494 1.00 0.00 C ATOM 885 OE1 GLU A 61 5.312 -17.208 -6.247 1.00 0.00 O ATOM 886 OE2 GLU A 61 6.772 -16.234 -7.569 1.00 0.00 O ATOM 0 H GLU A 61 6.567 -16.732 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 61 7.884 -14.846 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.338 -16.805 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.021 -15.655 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.782 -14.375 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.435 -14.933 -5.488 1.00 0.00 H new ATOM 893 N LEU A 62 6.902 -12.577 -3.179 1.00 0.00 N ATOM 894 CA LEU A 62 6.407 -11.212 -3.033 1.00 0.00 C ATOM 895 C LEU A 62 5.639 -10.775 -4.276 1.00 0.00 C ATOM 896 O LEU A 62 6.041 -11.067 -5.403 1.00 0.00 O ATOM 897 CB LEU A 62 7.571 -10.252 -2.776 1.00 0.00 C ATOM 898 CG LEU A 62 7.272 -8.766 -2.977 1.00 0.00 C ATOM 899 CD1 LEU A 62 6.159 -8.315 -2.045 1.00 0.00 C ATOM 900 CD2 LEU A 62 8.527 -7.935 -2.755 1.00 0.00 C ATOM 0 H LEU A 62 7.801 -12.651 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 62 5.727 -11.187 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.917 -10.397 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.396 -10.528 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 62 6.939 -8.617 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.960 -7.255 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.256 -8.889 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.462 -8.478 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.296 -6.880 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.890 -8.089 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.296 -8.240 -3.465 1.00 0.00 H new ATOM 912 N HIS A 63 4.531 -10.072 -4.064 1.00 0.00 N ATOM 913 CA HIS A 63 3.706 -9.593 -5.168 1.00 0.00 C ATOM 914 C HIS A 63 3.587 -8.072 -5.135 1.00 0.00 C ATOM 915 O HIS A 63 3.077 -7.500 -4.172 1.00 0.00 O ATOM 916 CB HIS A 63 2.316 -10.226 -5.107 1.00 0.00 C ATOM 917 CG HIS A 63 2.329 -11.715 -5.271 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.103 -12.340 -6.479 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.543 -12.703 -4.372 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.177 -13.649 -6.315 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.443 -13.895 -5.045 1.00 0.00 N ATOM 0 H HIS A 63 4.184 -9.821 -3.138 1.00 0.00 H new ATOM 0 HA HIS A 63 4.188 -9.883 -6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.854 -9.978 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.692 -9.788 -5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.753 -12.577 -3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.043 -14.391 -7.088 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.556 -14.821 -4.631 1.00 0.00 H new ATOM 929 N ARG A 64 4.061 -7.423 -6.194 1.00 0.00 N ATOM 930 CA ARG A 64 4.009 -5.969 -6.286 1.00 0.00 C ATOM 931 C ARG A 64 2.970 -5.526 -7.311 1.00 0.00 C ATOM 932 O ARG A 64 3.018 -5.929 -8.474 1.00 0.00 O ATOM 933 CB ARG A 64 5.383 -5.411 -6.662 1.00 0.00 C ATOM 934 CG ARG A 64 5.418 -3.895 -6.762 1.00 0.00 C ATOM 935 CD ARG A 64 6.814 -3.391 -7.097 1.00 0.00 C ATOM 936 NE ARG A 64 6.808 -1.985 -7.492 1.00 0.00 N ATOM 937 CZ ARG A 64 7.859 -1.365 -8.016 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.994 -2.023 -8.208 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.775 -0.083 -8.351 1.00 0.00 N ATOM 0 H ARG A 64 4.485 -7.882 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 64 3.721 -5.578 -5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.113 -5.735 -5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.690 -5.837 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.717 -3.563 -7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.089 -3.459 -5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.464 -3.522 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.233 -3.992 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 64 5.950 -1.450 -7.358 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.062 -3.008 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.799 -1.544 -8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.903 0.426 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.582 0.393 -8.753 1.00 0.00 H new ATOM 953 N LEU A 65 2.032 -4.694 -6.873 1.00 0.00 N ATOM 954 CA LEU A 65 0.980 -4.196 -7.752 1.00 0.00 C ATOM 955 C LEU A 65 1.150 -2.702 -8.013 1.00 0.00 C ATOM 956 O LEU A 65 1.306 -1.913 -7.082 1.00 0.00 O ATOM 957 CB LEU A 65 -0.395 -4.464 -7.137 1.00 0.00 C ATOM 958 CG LEU A 65 -0.694 -5.917 -6.769 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.937 -6.002 -5.898 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.860 -6.762 -8.023 1.00 0.00 C ATOM 0 H LEU A 65 1.978 -4.350 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 65 1.055 -4.723 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.494 -3.855 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.157 -4.124 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 65 0.150 -6.309 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.134 -7.044 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.780 -5.431 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.790 -5.592 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.072 -7.793 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.685 -6.371 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.058 -6.728 -8.609 1.00 0.00 H new ATOM 972 N ASN A 66 1.118 -2.322 -9.286 1.00 0.00 N ATOM 973 CA ASN A 66 1.267 -0.923 -9.670 1.00 0.00 C ATOM 974 C ASN A 66 -0.075 -0.325 -10.081 1.00 0.00 C ATOM 975 O ASN A 66 -0.887 -0.986 -10.729 1.00 0.00 O ATOM 976 CB ASN A 66 2.270 -0.792 -10.818 1.00 0.00 C ATOM 977 CG ASN A 66 3.693 -1.077 -10.378 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.006 -2.180 -9.930 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.562 -0.082 -10.506 1.00 0.00 N ATOM 0 H ASN A 66 0.990 -2.963 -10.069 1.00 0.00 H new ATOM 0 HA ASN A 66 1.640 -0.373 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.995 -1.480 -11.617 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.215 0.215 -11.232 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.534 -0.215 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.258 0.816 -10.883 1.00 0.00 H new ATOM 986 N ILE A 67 -0.300 0.928 -9.700 1.00 0.00 N ATOM 987 CA ILE A 67 -1.543 1.614 -10.030 1.00 0.00 C ATOM 988 C ILE A 67 -1.299 2.742 -11.028 1.00 0.00 C ATOM 989 O ILE A 67 -0.762 3.797 -10.691 1.00 0.00 O ATOM 990 CB ILE A 67 -2.217 2.194 -8.773 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.179 1.175 -7.632 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.651 2.599 -9.080 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.066 -0.028 -7.865 1.00 0.00 C ATOM 0 H ILE A 67 0.362 1.488 -9.163 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.204 0.872 -10.477 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.668 3.082 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.152 0.837 -7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.482 1.666 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.114 3.007 -8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.655 3.354 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.212 1.726 -9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.988 -0.707 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.100 0.298 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.749 -0.543 -8.772 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.704 2.516 -12.287 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.543 3.502 -13.359 1.00 0.00 C ATOM 1007 C PRO A 68 -2.455 4.710 -13.178 1.00 0.00 C ATOM 1008 O PRO A 68 -2.487 5.607 -14.019 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.931 2.723 -14.618 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.840 1.647 -14.133 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.352 1.281 -12.759 1.00 0.00 C ATOM 0 HA PRO A 68 -0.533 3.911 -13.388 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.430 3.366 -15.343 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.053 2.307 -15.112 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.873 1.994 -14.101 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.814 0.785 -14.799 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.173 0.984 -12.107 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.652 0.446 -12.790 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.196 4.726 -12.075 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.110 5.825 -11.784 1.00 0.00 C ATOM 1021 C ASN A 69 -3.879 6.367 -10.376 1.00 0.00 C ATOM 1022 O ASN A 69 -4.124 5.691 -9.376 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.561 5.363 -11.932 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.534 6.524 -12.000 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.222 7.579 -12.553 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.720 6.335 -11.435 1.00 0.00 N ATOM 0 H ASN A 69 -3.182 3.991 -11.368 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.915 6.624 -12.499 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.657 4.759 -12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.823 4.722 -11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.416 7.081 -11.448 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.936 5.444 -10.988 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.396 7.615 -10.294 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.122 8.276 -9.015 1.00 0.00 C ATOM 1035 C PRO A 70 -4.398 8.615 -8.252 1.00 0.00 C ATOM 1036 O PRO A 70 -4.347 9.103 -7.124 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.389 9.555 -9.426 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.849 9.825 -10.817 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.080 8.479 -11.445 1.00 0.00 C ATOM 0 HA PRO A 70 -2.550 7.638 -8.342 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.634 10.383 -8.760 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.308 9.422 -9.385 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.764 10.418 -10.817 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.101 10.392 -11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.899 8.506 -12.164 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.198 8.129 -11.980 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.542 8.352 -8.876 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.832 8.627 -8.255 1.00 0.00 C ATOM 1049 C ALA A 71 -7.436 7.359 -7.661 1.00 0.00 C ATOM 1050 O ALA A 71 -8.240 7.422 -6.731 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.785 9.244 -9.268 1.00 0.00 C ATOM 0 H ALA A 71 -5.601 7.949 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.673 9.337 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.744 9.444 -8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.364 10.177 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.930 8.553 -10.099 1.00 0.00 H new ATOM 1057 N GLN A 72 -7.045 6.212 -8.205 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.550 4.929 -7.728 1.00 0.00 C ATOM 1059 C GLN A 72 -6.893 4.542 -6.407 1.00 0.00 C ATOM 1060 O GLN A 72 -5.773 4.031 -6.385 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.304 3.840 -8.773 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.520 2.431 -8.245 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.891 1.373 -9.131 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.800 1.539 -10.347 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.452 0.277 -8.523 1.00 0.00 N ATOM 0 H GLN A 72 -6.381 6.144 -8.976 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.623 5.028 -7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.967 4.007 -9.622 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.283 3.928 -9.144 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.101 2.355 -7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.590 2.239 -8.160 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.548 0.181 -7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.019 -0.469 -9.067 1.00 0.00 H new ATOM 1074 N THR A 73 -7.597 4.789 -5.307 1.00 0.00 N ATOM 1075 CA THR A 73 -7.082 4.467 -3.982 1.00 0.00 C ATOM 1076 C THR A 73 -7.662 3.154 -3.470 1.00 0.00 C ATOM 1077 O THR A 73 -7.884 2.988 -2.271 1.00 0.00 O ATOM 1078 CB THR A 73 -7.398 5.584 -2.970 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.815 5.721 -2.818 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.802 6.909 -3.422 1.00 0.00 C ATOM 0 H THR A 73 -8.526 5.211 -5.307 1.00 0.00 H new ATOM 0 HA THR A 73 -6.001 4.370 -4.079 1.00 0.00 H new ATOM 0 HB THR A 73 -6.954 5.312 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.007 6.432 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.038 7.682 -2.691 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.720 6.810 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.220 7.185 -4.390 1.00 0.00 H new ATOM 1088 N SER A 74 -7.906 2.223 -4.387 1.00 0.00 N ATOM 1089 CA SER A 74 -8.464 0.924 -4.027 1.00 0.00 C ATOM 1090 C SER A 74 -8.124 -0.124 -5.083 1.00 0.00 C ATOM 1091 O SER A 74 -8.446 0.037 -6.260 1.00 0.00 O ATOM 1092 CB SER A 74 -9.981 1.026 -3.863 1.00 0.00 C ATOM 1093 OG SER A 74 -10.572 1.684 -4.970 1.00 0.00 O ATOM 0 H SER A 74 -7.726 2.344 -5.384 1.00 0.00 H new ATOM 0 HA SER A 74 -8.023 0.616 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.406 0.028 -3.760 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.215 1.568 -2.947 1.00 0.00 H new ATOM 0 HG SER A 74 -10.059 1.485 -5.781 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.472 -1.199 -4.652 1.00 0.00 N ATOM 1100 CA VAL A 75 -7.089 -2.275 -5.558 1.00 0.00 C ATOM 1101 C VAL A 75 -7.565 -3.626 -5.039 1.00 0.00 C ATOM 1102 O VAL A 75 -7.643 -3.847 -3.830 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.562 -2.323 -5.758 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.857 -2.562 -4.432 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.192 -3.398 -6.770 1.00 0.00 C ATOM 0 H VAL A 75 -7.198 -1.348 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.567 -2.068 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.233 -1.360 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.779 -2.593 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.098 -1.754 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.188 -3.511 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.110 -3.419 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.533 -4.369 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.668 -3.177 -7.726 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.883 -4.530 -5.961 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.351 -5.862 -5.596 1.00 0.00 C ATOM 1117 C VAL A 76 -7.248 -6.900 -5.775 1.00 0.00 C ATOM 1118 O VAL A 76 -6.722 -7.080 -6.873 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.572 -6.277 -6.437 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -9.915 -7.740 -6.196 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.763 -5.384 -6.124 1.00 0.00 C ATOM 0 H VAL A 76 -7.825 -4.364 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.640 -5.820 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.323 -6.156 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.780 -8.015 -6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.066 -8.364 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.145 -7.891 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.617 -5.692 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.015 -5.471 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.511 -4.348 -6.353 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.902 -7.581 -4.687 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.863 -8.603 -4.723 1.00 0.00 C ATOM 1133 C VAL A 77 -6.468 -10.001 -4.784 1.00 0.00 C ATOM 1134 O VAL A 77 -7.394 -10.319 -4.039 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.940 -8.508 -3.494 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.934 -9.649 -3.492 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.232 -7.162 -3.462 1.00 0.00 C ATOM 0 H VAL A 77 -7.326 -7.443 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.276 -8.425 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.551 -8.593 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.290 -9.565 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.464 -10.601 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.326 -9.599 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.584 -7.112 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.632 -7.045 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.972 -6.363 -3.411 1.00 0.00 H new ATOM 1147 N GLU A 78 -5.938 -10.831 -5.677 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.427 -12.195 -5.835 1.00 0.00 C ATOM 1149 C GLU A 78 -5.266 -13.180 -5.942 1.00 0.00 C ATOM 1150 O GLU A 78 -4.102 -12.799 -5.824 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.316 -12.302 -7.076 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.578 -11.460 -6.995 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.633 -11.891 -7.995 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -9.819 -13.114 -8.169 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.271 -11.007 -8.604 1.00 0.00 O ATOM 0 H GLU A 78 -5.171 -10.583 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.015 -12.447 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.742 -11.998 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.594 -13.345 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.990 -11.525 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.324 -10.414 -7.169 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.593 -14.449 -6.164 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.579 -15.489 -6.287 1.00 0.00 C ATOM 1164 C ASP A 79 -3.807 -15.653 -4.981 1.00 0.00 C ATOM 1165 O ASP A 79 -2.585 -15.807 -4.985 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.614 -15.159 -7.426 1.00 0.00 C ATOM 1167 CG ASP A 79 -2.849 -16.376 -7.908 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -3.383 -17.498 -7.789 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -1.715 -16.206 -8.405 1.00 0.00 O ATOM 0 H ASP A 79 -6.552 -14.781 -6.262 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.084 -16.429 -6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.172 -14.731 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.908 -14.399 -7.091 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.528 -15.617 -3.866 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.911 -15.761 -2.551 1.00 0.00 C ATOM 1176 C LEU A 80 -4.182 -17.145 -1.970 1.00 0.00 C ATOM 1177 O LEU A 80 -4.813 -17.986 -2.612 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.436 -14.684 -1.600 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.262 -13.237 -2.062 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.376 -12.362 -1.509 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.902 -12.702 -1.640 1.00 0.00 C ATOM 0 H LEU A 80 -5.540 -15.489 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.834 -15.642 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.497 -14.865 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.934 -14.800 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.317 -13.215 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.235 -11.336 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.339 -12.732 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.354 -12.390 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.796 -11.671 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.818 -12.739 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.117 -13.312 -2.086 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.703 -17.374 -0.753 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.896 -18.655 -0.083 1.00 0.00 C ATOM 1195 C LEU A 81 -4.813 -18.506 1.126 1.00 0.00 C ATOM 1196 O LEU A 81 -4.690 -17.570 1.918 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.548 -19.233 0.352 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.681 -19.826 -0.759 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.257 -20.038 -0.269 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -2.276 -21.135 -1.258 1.00 0.00 C ATOM 0 H LEU A 81 -3.178 -16.689 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.367 -19.339 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.980 -18.445 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.731 -20.009 1.096 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.656 -19.121 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.345 -20.461 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.168 -19.083 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.262 -20.723 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.646 -21.543 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.331 -21.847 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.277 -20.954 -1.649 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.754 -19.449 1.276 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.708 -19.446 2.389 1.00 0.00 C ATOM 1214 C PRO A 82 -6.043 -19.759 3.725 1.00 0.00 C ATOM 1215 O PRO A 82 -5.066 -20.505 3.782 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.697 -20.552 2.012 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.923 -21.466 1.126 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.959 -20.593 0.371 1.00 0.00 C ATOM 0 HA PRO A 82 -7.171 -18.469 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.063 -21.074 2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.568 -20.146 1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.393 -22.219 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.584 -21.999 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.024 -21.113 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.369 -20.278 -0.589 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.578 -19.183 4.797 1.00 0.00 N ATOM 1227 CA ASN A 83 -6.035 -19.402 6.132 1.00 0.00 C ATOM 1228 C ASN A 83 -4.549 -19.056 6.179 1.00 0.00 C ATOM 1229 O ASN A 83 -3.763 -19.737 6.839 1.00 0.00 O ATOM 1230 CB ASN A 83 -6.246 -20.855 6.560 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.693 -21.154 6.899 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -8.600 -20.772 6.007 1.00 0.00 O flip ATOM 1233 ND2 ASN A 83 -7.992 -21.722 7.949 1.00 0.00 N flip ATOM 0 H ASN A 83 -7.386 -18.562 4.767 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.564 -18.747 6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.919 -21.518 5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.621 -21.070 7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.262 -21.998 8.606 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.970 -21.917 8.163 1.00 0.00 H new ATOM 1240 N HIS A 84 -4.172 -17.994 5.474 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.781 -17.558 5.435 1.00 0.00 C ATOM 1242 C HIS A 84 -2.682 -16.044 5.602 1.00 0.00 C ATOM 1243 O HIS A 84 -3.501 -15.296 5.068 1.00 0.00 O ATOM 1244 CB HIS A 84 -2.127 -17.982 4.120 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.694 -19.415 4.101 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.580 -20.468 4.017 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.459 -19.967 4.154 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.909 -21.606 4.022 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.620 -21.330 4.103 1.00 0.00 N ATOM 0 H HIS A 84 -4.810 -17.420 4.923 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.254 -18.033 6.263 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.829 -17.812 3.303 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.261 -17.347 3.933 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.595 -20.382 3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.478 -19.435 4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.341 -22.594 3.969 1.00 0.00 H new ATOM 1257 N SER A 85 -1.674 -15.600 6.346 1.00 0.00 N ATOM 1258 CA SER A 85 -1.471 -14.176 6.587 1.00 0.00 C ATOM 1259 C SER A 85 -0.656 -13.546 5.462 1.00 0.00 C ATOM 1260 O SER A 85 0.215 -14.190 4.876 1.00 0.00 O ATOM 1261 CB SER A 85 -0.766 -13.959 7.927 1.00 0.00 C ATOM 1262 OG SER A 85 -1.621 -14.278 9.011 1.00 0.00 O ATOM 0 H SER A 85 -0.985 -16.206 6.792 1.00 0.00 H new ATOM 0 HA SER A 85 -2.448 -13.695 6.618 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.131 -14.576 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.443 -12.921 8.008 1.00 0.00 H new ATOM 0 HG SER A 85 -1.146 -14.132 9.856 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.944 -12.284 5.166 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.241 -11.566 4.110 1.00 0.00 C ATOM 1270 C TYR A 86 -0.017 -10.108 4.498 1.00 0.00 C ATOM 1271 O TYR A 86 -0.965 -9.375 4.778 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.028 -11.642 2.800 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.891 -12.968 2.087 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.202 -13.231 1.271 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.854 -13.959 2.231 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.331 -14.441 0.617 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.733 -15.173 1.582 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.639 -15.408 0.776 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.514 -16.616 0.127 1.00 0.00 O ATOM 0 H TYR A 86 -1.660 -11.736 5.643 1.00 0.00 H new ATOM 0 HA TYR A 86 0.731 -12.039 3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.082 -11.458 3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.691 -10.846 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.964 -12.476 1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.712 -13.777 2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.186 -14.628 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.490 -15.933 1.705 1.00 0.00 H new ATOM 0 HH TYR A 86 0.436 -16.829 0.012 1.00 0.00 H new ATOM 1289 N VAL A 87 1.246 -9.693 4.511 1.00 0.00 N ATOM 1290 CA VAL A 87 1.597 -8.322 4.863 1.00 0.00 C ATOM 1291 C VAL A 87 1.464 -7.395 3.660 1.00 0.00 C ATOM 1292 O VAL A 87 2.306 -7.401 2.762 1.00 0.00 O ATOM 1293 CB VAL A 87 3.034 -8.233 5.409 1.00 0.00 C ATOM 1294 CG1 VAL A 87 3.987 -9.040 4.540 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.481 -6.782 5.500 1.00 0.00 C ATOM 0 H VAL A 87 2.043 -10.287 4.282 1.00 0.00 H new ATOM 0 HA VAL A 87 0.901 -8.007 5.640 1.00 0.00 H new ATOM 0 HB VAL A 87 3.049 -8.657 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.998 -8.965 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.676 -10.085 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.971 -8.649 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.499 -6.738 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.451 -6.329 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.814 -6.237 6.169 1.00 0.00 H new ATOM 1305 N PHE A 88 0.401 -6.598 3.649 1.00 0.00 N ATOM 1306 CA PHE A 88 0.156 -5.664 2.556 1.00 0.00 C ATOM 1307 C PHE A 88 0.743 -4.292 2.872 1.00 0.00 C ATOM 1308 O PHE A 88 0.282 -3.602 3.781 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.345 -5.540 2.289 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.925 -6.724 1.568 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.220 -7.892 2.252 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.176 -6.667 0.206 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.753 -8.982 1.590 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.710 -7.754 -0.460 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.000 -8.913 0.233 1.00 0.00 C ATOM 0 H PHE A 88 -0.305 -6.580 4.385 1.00 0.00 H new ATOM 0 HA PHE A 88 0.645 -6.052 1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.865 -5.412 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.528 -4.641 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.032 -7.952 3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.952 -5.763 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.976 -9.888 2.134 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.900 -7.697 -1.522 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.419 -9.763 -0.285 1.00 0.00 H new ATOM 1325 N ARG A 89 1.764 -3.903 2.114 1.00 0.00 N ATOM 1326 CA ARG A 89 2.416 -2.614 2.314 1.00 0.00 C ATOM 1327 C ARG A 89 2.159 -1.686 1.130 1.00 0.00 C ATOM 1328 O ARG A 89 2.767 -1.832 0.070 1.00 0.00 O ATOM 1329 CB ARG A 89 3.921 -2.804 2.509 1.00 0.00 C ATOM 1330 CG ARG A 89 4.272 -3.780 3.620 1.00 0.00 C ATOM 1331 CD ARG A 89 5.729 -3.649 4.037 1.00 0.00 C ATOM 1332 NE ARG A 89 6.227 -4.863 4.677 1.00 0.00 N ATOM 1333 CZ ARG A 89 6.696 -5.909 4.006 1.00 0.00 C ATOM 1334 NH1 ARG A 89 6.733 -5.888 2.681 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.131 -6.978 4.660 1.00 0.00 N ATOM 0 H ARG A 89 2.157 -4.462 1.357 1.00 0.00 H new ATOM 0 HA ARG A 89 1.996 -2.158 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.358 -3.157 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.375 -1.838 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.628 -3.600 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.078 -4.799 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.338 -3.425 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.836 -2.808 4.722 1.00 0.00 H new ATOM 0 HE ARG A 89 6.214 -4.911 5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.401 -5.067 2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.094 -6.693 2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.106 -6.997 5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.491 -7.780 4.143 1.00 0.00 H new ATOM 1349 N VAL A 90 1.254 -0.731 1.319 1.00 0.00 N ATOM 1350 CA VAL A 90 0.917 0.222 0.268 1.00 0.00 C ATOM 1351 C VAL A 90 1.757 1.488 0.384 1.00 0.00 C ATOM 1352 O VAL A 90 2.241 1.828 1.464 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.575 0.602 0.313 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.879 1.694 -0.701 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.445 -0.622 0.068 1.00 0.00 C ATOM 0 H VAL A 90 0.741 -0.597 2.190 1.00 0.00 H new ATOM 0 HA VAL A 90 1.131 -0.266 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.803 0.988 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.938 1.949 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.282 2.578 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.635 1.339 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.496 -0.334 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.216 -1.041 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.247 -1.369 0.837 1.00 0.00 H new ATOM 1365 N ARG A 91 1.926 2.184 -0.735 1.00 0.00 N ATOM 1366 CA ARG A 91 2.708 3.414 -0.760 1.00 0.00 C ATOM 1367 C ARG A 91 2.379 4.244 -1.998 1.00 0.00 C ATOM 1368 O ARG A 91 1.889 3.718 -2.997 1.00 0.00 O ATOM 1369 CB ARG A 91 4.204 3.093 -0.731 1.00 0.00 C ATOM 1370 CG ARG A 91 4.629 2.077 -1.779 1.00 0.00 C ATOM 1371 CD ARG A 91 6.139 2.060 -1.958 1.00 0.00 C ATOM 1372 NE ARG A 91 6.540 1.330 -3.157 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.794 0.978 -3.418 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.764 1.288 -2.569 1.00 0.00 N ATOM 1375 NH2 ARG A 91 8.080 0.315 -4.531 1.00 0.00 N ATOM 0 H ARG A 91 1.532 1.917 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 91 2.450 3.996 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.768 4.014 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.467 2.715 0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.285 1.085 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.151 2.312 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.509 3.084 -2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.603 1.603 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 91 5.818 1.076 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.548 1.798 -1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.726 1.016 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.337 0.075 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.043 0.045 -4.731 1.00 0.00 H new ATOM 1389 N ALA A 92 2.653 5.542 -1.924 1.00 0.00 N ATOM 1390 CA ALA A 92 2.387 6.443 -3.038 1.00 0.00 C ATOM 1391 C ALA A 92 3.677 6.815 -3.762 1.00 0.00 C ATOM 1392 O ALA A 92 4.767 6.701 -3.204 1.00 0.00 O ATOM 1393 CB ALA A 92 1.676 7.695 -2.546 1.00 0.00 C ATOM 0 H ALA A 92 3.059 5.993 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 92 1.740 5.925 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.484 8.359 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.731 7.417 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.304 8.207 -1.817 1.00 0.00 H new ATOM 1399 N GLN A 93 3.543 7.258 -5.008 1.00 0.00 N ATOM 1400 CA GLN A 93 4.699 7.645 -5.809 1.00 0.00 C ATOM 1401 C GLN A 93 4.528 9.054 -6.367 1.00 0.00 C ATOM 1402 O GLN A 93 3.465 9.405 -6.879 1.00 0.00 O ATOM 1403 CB GLN A 93 4.908 6.652 -6.954 1.00 0.00 C ATOM 1404 CG GLN A 93 5.958 7.096 -7.960 1.00 0.00 C ATOM 1405 CD GLN A 93 5.711 6.536 -9.347 1.00 0.00 C ATOM 1406 OE1 GLN A 93 4.952 7.104 -10.132 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.352 5.415 -9.655 1.00 0.00 N ATOM 0 H GLN A 93 2.647 7.358 -5.484 1.00 0.00 H new ATOM 0 HA GLN A 93 5.577 7.634 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.200 5.687 -6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.961 6.503 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.971 8.185 -8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.943 6.780 -7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.972 4.978 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.225 4.991 -10.574 1.00 0.00 H new ATOM 1416 N SER A 94 5.581 9.858 -6.263 1.00 0.00 N ATOM 1417 CA SER A 94 5.546 11.231 -6.754 1.00 0.00 C ATOM 1418 C SER A 94 6.792 11.546 -7.576 1.00 0.00 C ATOM 1419 O SER A 94 7.769 10.797 -7.553 1.00 0.00 O ATOM 1420 CB SER A 94 5.432 12.210 -5.584 1.00 0.00 C ATOM 1421 OG SER A 94 6.688 12.403 -4.956 1.00 0.00 O ATOM 0 H SER A 94 6.469 9.583 -5.843 1.00 0.00 H new ATOM 0 HA SER A 94 4.672 11.339 -7.396 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.050 13.166 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.713 11.831 -4.858 1.00 0.00 H new ATOM 0 HG SER A 94 6.686 13.258 -4.477 1.00 0.00 H new ATOM 1427 N GLN A 95 6.750 12.660 -8.300 1.00 0.00 N ATOM 1428 CA GLN A 95 7.875 13.074 -9.130 1.00 0.00 C ATOM 1429 C GLN A 95 9.201 12.774 -8.439 1.00 0.00 C ATOM 1430 O GLN A 95 10.146 12.301 -9.069 1.00 0.00 O ATOM 1431 CB GLN A 95 7.779 14.568 -9.447 1.00 0.00 C ATOM 1432 CG GLN A 95 8.975 15.104 -10.216 1.00 0.00 C ATOM 1433 CD GLN A 95 9.033 14.590 -11.641 1.00 0.00 C ATOM 1434 OE1 GLN A 95 10.005 13.950 -12.043 1.00 0.00 O ATOM 1435 NE2 GLN A 95 7.989 14.867 -12.413 1.00 0.00 N ATOM 0 H GLN A 95 5.950 13.292 -8.329 1.00 0.00 H new ATOM 0 HA GLN A 95 7.835 12.508 -10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.874 14.751 -10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.679 15.123 -8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.935 16.193 -10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.891 14.824 -9.696 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.205 15.401 -12.038 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.971 14.546 -13.381 1.00 0.00 H new ATOM 1444 N GLU A 96 9.263 13.053 -7.140 1.00 0.00 N ATOM 1445 CA GLU A 96 10.474 12.813 -6.365 1.00 0.00 C ATOM 1446 C GLU A 96 10.815 11.326 -6.335 1.00 0.00 C ATOM 1447 O GLU A 96 11.831 10.899 -6.883 1.00 0.00 O ATOM 1448 CB GLU A 96 10.305 13.337 -4.937 1.00 0.00 C ATOM 1449 CG GLU A 96 10.526 14.835 -4.809 1.00 0.00 C ATOM 1450 CD GLU A 96 11.996 15.207 -4.775 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.816 14.352 -4.379 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.326 16.353 -5.145 1.00 0.00 O ATOM 0 H GLU A 96 8.489 13.445 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 96 11.294 13.347 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.302 13.095 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.005 12.818 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.046 15.342 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.043 15.193 -3.900 1.00 0.00 H new ATOM 1459 N GLY A 97 9.958 10.541 -5.689 1.00 0.00 N ATOM 1460 CA GLY A 97 10.186 9.110 -5.598 1.00 0.00 C ATOM 1461 C GLY A 97 9.237 8.432 -4.630 1.00 0.00 C ATOM 1462 O GLY A 97 8.414 9.091 -3.993 1.00 0.00 O ATOM 0 H GLY A 97 9.110 10.870 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.073 8.664 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.213 8.928 -5.282 1.00 0.00 H new ATOM 1466 N TRP A 98 9.349 7.114 -4.520 1.00 0.00 N ATOM 1467 CA TRP A 98 8.492 6.346 -3.623 1.00 0.00 C ATOM 1468 C TRP A 98 8.752 6.720 -2.169 1.00 0.00 C ATOM 1469 O TRP A 98 9.855 6.534 -1.658 1.00 0.00 O ATOM 1470 CB TRP A 98 8.720 4.847 -3.826 1.00 0.00 C ATOM 1471 CG TRP A 98 8.277 4.355 -5.171 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.063 4.149 -6.268 1.00 0.00 C ATOM 1473 CD2 TRP A 98 6.943 4.010 -5.560 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.298 3.696 -7.316 1.00 0.00 N ATOM 1475 CE2 TRP A 98 6.994 3.602 -6.907 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.710 4.005 -4.901 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 5.861 3.194 -7.605 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.586 3.600 -5.596 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.667 3.199 -6.936 1.00 0.00 C ATOM 0 H TRP A 98 10.024 6.554 -5.040 1.00 0.00 H new ATOM 0 HA TRP A 98 7.455 6.584 -3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.780 4.627 -3.698 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.185 4.297 -3.052 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.129 4.317 -6.307 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.645 3.467 -8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.637 4.312 -3.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 5.922 2.884 -8.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.628 3.593 -5.097 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.770 2.888 -7.451 1.00 0.00 H new ATOM 1490 N GLY A 99 7.728 7.249 -1.506 1.00 0.00 N ATOM 1491 CA GLY A 99 7.867 7.641 -0.115 1.00 0.00 C ATOM 1492 C GLY A 99 7.736 6.466 0.834 1.00 0.00 C ATOM 1493 O GLY A 99 8.211 5.368 0.543 1.00 0.00 O ATOM 0 H GLY A 99 6.805 7.413 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.838 8.115 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.109 8.386 0.127 1.00 0.00 H new ATOM 1497 N ARG A 100 7.093 6.697 1.974 1.00 0.00 N ATOM 1498 CA ARG A 100 6.904 5.650 2.970 1.00 0.00 C ATOM 1499 C ARG A 100 5.779 4.705 2.559 1.00 0.00 C ATOM 1500 O ARG A 100 4.985 5.018 1.673 1.00 0.00 O ATOM 1501 CB ARG A 100 6.593 6.266 4.336 1.00 0.00 C ATOM 1502 CG ARG A 100 7.824 6.775 5.069 1.00 0.00 C ATOM 1503 CD ARG A 100 8.704 5.628 5.542 1.00 0.00 C ATOM 1504 NE ARG A 100 9.611 5.166 4.495 1.00 0.00 N ATOM 1505 CZ ARG A 100 10.747 5.779 4.183 1.00 0.00 C ATOM 1506 NH1 ARG A 100 11.113 6.874 4.835 1.00 0.00 N ATOM 1507 NH2 ARG A 100 11.519 5.297 3.218 1.00 0.00 N ATOM 0 H ARG A 100 6.694 7.600 2.230 1.00 0.00 H new ATOM 0 HA ARG A 100 7.829 5.078 3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.893 7.091 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.093 5.521 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.397 7.427 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.517 7.376 5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.283 5.949 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.075 4.800 5.868 1.00 0.00 H new ATOM 0 HE ARG A 100 9.358 4.326 3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.522 7.247 5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.986 7.343 4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.240 4.455 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.391 5.769 2.979 1.00 0.00 H new ATOM 1521 N GLU A 101 5.719 3.547 3.209 1.00 0.00 N ATOM 1522 CA GLU A 101 4.692 2.556 2.909 1.00 0.00 C ATOM 1523 C GLU A 101 3.984 2.103 4.183 1.00 0.00 C ATOM 1524 O GLU A 101 4.628 1.742 5.169 1.00 0.00 O ATOM 1525 CB GLU A 101 5.309 1.349 2.199 1.00 0.00 C ATOM 1526 CG GLU A 101 6.099 0.437 3.123 1.00 0.00 C ATOM 1527 CD GLU A 101 7.273 1.142 3.774 1.00 0.00 C ATOM 1528 OE1 GLU A 101 8.068 1.768 3.042 1.00 0.00 O ATOM 1529 OE2 GLU A 101 7.396 1.069 5.015 1.00 0.00 O ATOM 0 H GLU A 101 6.369 3.272 3.946 1.00 0.00 H new ATOM 0 HA GLU A 101 3.957 3.020 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.515 0.772 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.965 1.702 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.437 0.050 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.463 -0.420 2.557 1.00 0.00 H new ATOM 1536 N ARG A 102 2.656 2.126 4.155 1.00 0.00 N ATOM 1537 CA ARG A 102 1.860 1.721 5.307 1.00 0.00 C ATOM 1538 C ARG A 102 1.689 0.205 5.343 1.00 0.00 C ATOM 1539 O ARG A 102 1.324 -0.412 4.343 1.00 0.00 O ATOM 1540 CB ARG A 102 0.489 2.398 5.271 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.499 1.828 6.275 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.109 2.180 7.702 1.00 0.00 C ATOM 1543 NE ARG A 102 -0.694 3.446 8.133 1.00 0.00 N ATOM 1544 CZ ARG A 102 -0.349 4.072 9.252 1.00 0.00 C ATOM 1545 NH1 ARG A 102 0.574 3.552 10.049 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -0.926 5.222 9.577 1.00 0.00 N ATOM 0 H ARG A 102 2.108 2.421 3.347 1.00 0.00 H new ATOM 0 HA ARG A 102 2.388 2.032 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.614 3.464 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.072 2.301 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.497 2.213 6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.546 0.744 6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.433 1.384 8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.977 2.238 7.777 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.407 3.873 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.021 2.669 9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.837 4.035 10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.636 5.627 8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.659 5.701 10.437 1.00 0.00 H new ATOM 1560 N GLU A 103 1.956 -0.388 6.502 1.00 0.00 N ATOM 1561 CA GLU A 103 1.833 -1.832 6.667 1.00 0.00 C ATOM 1562 C GLU A 103 0.396 -2.220 7.005 1.00 0.00 C ATOM 1563 O GLU A 103 -0.267 -1.557 7.801 1.00 0.00 O ATOM 1564 CB GLU A 103 2.778 -2.325 7.765 1.00 0.00 C ATOM 1565 CG GLU A 103 3.207 -3.772 7.595 1.00 0.00 C ATOM 1566 CD GLU A 103 3.896 -4.326 8.827 1.00 0.00 C ATOM 1567 OE1 GLU A 103 3.484 -3.964 9.949 1.00 0.00 O ATOM 1568 OE2 GLU A 103 4.847 -5.120 8.670 1.00 0.00 O ATOM 0 H GLU A 103 2.259 0.108 7.340 1.00 0.00 H new ATOM 0 HA GLU A 103 2.107 -2.304 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.665 -1.692 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.288 -2.211 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.333 -4.382 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.880 -3.849 6.741 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.078 -3.301 6.393 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.433 -3.760 6.640 1.00 0.00 C ATOM 1577 C GLY A 104 -1.576 -5.260 6.476 1.00 0.00 C ATOM 1578 O GLY A 104 -1.921 -5.744 5.398 1.00 0.00 O ATOM 0 H GLY A 104 0.452 -3.867 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.730 -3.478 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.115 -3.256 5.955 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.310 -5.999 7.549 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.410 -7.453 7.519 1.00 0.00 C ATOM 1584 C VAL A 105 -2.866 -7.904 7.561 1.00 0.00 C ATOM 1585 O VAL A 105 -3.726 -7.209 8.102 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.652 -8.092 8.698 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.729 -9.609 8.623 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.795 -7.624 8.717 1.00 0.00 C ATOM 0 H VAL A 105 -1.024 -5.614 8.449 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.957 -7.783 6.584 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.125 -7.774 9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.188 -10.043 9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.772 -9.923 8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.282 -9.950 7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.316 -8.085 9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.283 -7.911 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.825 -6.540 8.823 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.134 -9.072 6.986 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.486 -9.616 6.959 1.00 0.00 C ATOM 1600 C ILE A 106 -4.471 -11.132 7.123 1.00 0.00 C ATOM 1601 O ILE A 106 -3.552 -11.810 6.661 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.211 -9.260 5.648 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.694 -9.621 5.745 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.562 -9.976 4.473 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.496 -8.658 6.593 1.00 0.00 C ATOM 0 H ILE A 106 -2.433 -9.659 6.533 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.023 -9.167 7.794 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.128 -8.185 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.119 -9.650 4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.789 -10.624 6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.085 -9.714 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.518 -9.674 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.617 -11.054 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.538 -8.976 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.096 -8.647 7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.432 -7.657 6.166 1.00 0.00 H new ATOM 1617 N THR A 107 -5.497 -11.661 7.783 1.00 0.00 N ATOM 1618 CA THR A 107 -5.603 -13.097 8.007 1.00 0.00 C ATOM 1619 C THR A 107 -6.844 -13.669 7.332 1.00 0.00 C ATOM 1620 O THR A 107 -7.967 -13.454 7.790 1.00 0.00 O ATOM 1621 CB THR A 107 -5.652 -13.429 9.511 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.465 -12.956 10.156 1.00 0.00 O ATOM 1623 CG2 THR A 107 -5.793 -14.928 9.730 1.00 0.00 C ATOM 0 H THR A 107 -6.266 -11.116 8.172 1.00 0.00 H new ATOM 0 HA THR A 107 -4.713 -13.551 7.571 1.00 0.00 H new ATOM 0 HB THR A 107 -6.521 -12.932 9.942 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.682 -13.394 9.762 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.825 -15.138 10.799 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.713 -15.279 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.941 -15.442 9.285 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.635 -14.398 6.241 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.738 -15.003 5.504 1.00 0.00 C ATOM 1633 C ILE A 108 -8.548 -15.938 6.395 1.00 0.00 C ATOM 1634 O ILE A 108 -8.090 -17.024 6.749 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.233 -15.788 4.279 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.392 -14.883 3.376 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.405 -16.375 3.506 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.200 -13.821 2.663 1.00 0.00 C ATOM 0 H ILE A 108 -5.712 -14.584 5.848 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.376 -14.187 5.164 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.604 -16.608 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.621 -14.400 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.880 -15.497 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.032 -16.927 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.966 -17.049 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.057 -15.570 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.539 -13.217 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.954 -14.297 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.690 -13.182 3.398 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.754 -15.509 6.752 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.629 -16.310 7.601 1.00 0.00 C ATOM 1652 C GLU A 109 -11.929 -16.648 6.878 1.00 0.00 C ATOM 1653 O GLU A 109 -12.759 -15.774 6.629 1.00 0.00 O ATOM 1654 CB GLU A 109 -10.934 -15.565 8.902 1.00 0.00 C ATOM 1655 CG GLU A 109 -9.806 -15.627 9.919 1.00 0.00 C ATOM 1656 CD GLU A 109 -9.493 -17.044 10.357 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.286 -17.612 11.138 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -8.457 -17.586 9.920 1.00 0.00 O ATOM 0 H GLU A 109 -10.148 -14.612 6.467 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.113 -17.241 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.147 -14.521 8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.837 -15.984 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.910 -15.177 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.075 -15.032 10.792 1.00 0.00 H new