USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 740 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 88 THR OG1 : rot 180:sc= 0.0102 USER MOD Set 1.2: A 106 THR OG1 : rot -52:sc= 0.0171 USER MOD Set 2.1: A 82 THR OG1 : rot 89:sc= 0.333 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0.0737 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= 0.0228 F(o=-3.1,f=0.023) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 27 SER OG : rot -175:sc= 0.401 USER MOD Set 4.2: A 35 LYS NZ :NH3+ 167:sc= 0.298 (180deg=-0.495) USER MOD Set 4.3: A 37 SER OG : rot 180:sc= -1.05 USER MOD Set 5.1: A 23 HIS : no HE2:sc= -1.73 K(o=-2,f=-5.1!) USER MOD Set 5.2: A 25 SER OG : rot -102:sc= -0.312 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 39 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 49 THR OG1 : rot 166:sc= -4.69! USER MOD Single : A 51 TYR OH : rot 167:sc= -1.83 USER MOD Single : A 54 SER OG : rot 150:sc=-0.00814 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.03! C(o=-1!,f=-6.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5.02! C(o=-5!,f=-8.5!) USER MOD Single : A 63 THR OG1 : rot -65:sc= 1.57 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.418! C(o=0.42!,f=-7.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 78:sc= 0.472 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 142:sc= -4.74! (180deg=-4.99!) USER MOD Single : A 95 THR OG1 : rot 140:sc= -1.44! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0921 F(o=-1.4,f=-0.092) USER MOD Single : A 101 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.67) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -144:sc= -0.734! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.578 -0.425 -13.031 1.00 0.00 N ATOM 203 CA ASP A 16 17.299 0.386 -12.066 1.00 0.00 C ATOM 204 C ASP A 16 16.506 0.443 -10.759 1.00 0.00 C ATOM 205 O ASP A 16 17.015 0.073 -9.702 1.00 0.00 O ATOM 206 CB ASP A 16 17.477 1.819 -12.573 1.00 0.00 C ATOM 207 CG ASP A 16 18.721 2.540 -12.051 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.890 2.555 -10.812 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.475 3.060 -12.902 1.00 0.00 O ATOM 0 HA ASP A 16 18.279 -0.067 -11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.516 1.801 -13.662 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.596 2.398 -12.296 1.00 0.00 H new ATOM 214 N VAL A 17 15.270 0.908 -10.874 1.00 0.00 N ATOM 215 CA VAL A 17 14.401 1.017 -9.715 1.00 0.00 C ATOM 216 C VAL A 17 14.537 -0.245 -8.860 1.00 0.00 C ATOM 217 O VAL A 17 15.077 -1.252 -9.315 1.00 0.00 O ATOM 218 CB VAL A 17 12.962 1.283 -10.163 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.733 2.776 -10.410 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.614 0.461 -11.405 1.00 0.00 C ATOM 0 H VAL A 17 14.850 1.213 -11.752 1.00 0.00 H new ATOM 0 HA VAL A 17 14.696 1.863 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 17 12.296 0.971 -9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.703 2.938 -10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.921 3.330 -9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.412 3.124 -11.189 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.586 0.669 -11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.288 0.728 -12.219 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.719 -0.600 -11.180 1.00 0.00 H new ATOM 230 N PRO A 18 14.025 -0.146 -7.604 1.00 0.00 N ATOM 231 CA PRO A 18 14.084 -1.267 -6.681 1.00 0.00 C ATOM 232 C PRO A 18 13.056 -2.338 -7.053 1.00 0.00 C ATOM 233 O PRO A 18 12.310 -2.179 -8.018 1.00 0.00 O ATOM 234 CB PRO A 18 13.840 -0.660 -5.309 1.00 0.00 C ATOM 235 CG PRO A 18 13.194 0.693 -5.561 1.00 0.00 C ATOM 236 CD PRO A 18 13.379 1.031 -7.031 1.00 0.00 C ATOM 0 HA PRO A 18 15.043 -1.784 -6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.190 -1.298 -4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.774 -0.550 -4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.135 0.664 -5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.652 1.457 -4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.423 1.233 -7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.994 1.922 -7.158 1.00 0.00 H new ATOM 244 N GLY A 19 13.051 -3.405 -6.268 1.00 0.00 N ATOM 245 CA GLY A 19 12.127 -4.502 -6.502 1.00 0.00 C ATOM 246 C GLY A 19 10.885 -4.371 -5.619 1.00 0.00 C ATOM 247 O GLY A 19 10.586 -3.288 -5.118 1.00 0.00 O ATOM 0 H GLY A 19 13.672 -3.533 -5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.832 -4.516 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.624 -5.450 -6.298 1.00 0.00 H new ATOM 251 N PRO A 20 10.176 -5.520 -5.450 1.00 0.00 N ATOM 252 CA PRO A 20 8.973 -5.544 -4.636 1.00 0.00 C ATOM 253 C PRO A 20 9.319 -5.497 -3.146 1.00 0.00 C ATOM 254 O PRO A 20 10.057 -6.347 -2.649 1.00 0.00 O ATOM 255 CB PRO A 20 8.252 -6.820 -5.038 1.00 0.00 C ATOM 256 CG PRO A 20 9.294 -7.692 -5.718 1.00 0.00 C ATOM 257 CD PRO A 20 10.501 -6.821 -6.028 1.00 0.00 C ATOM 0 HA PRO A 20 8.337 -4.674 -4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.832 -7.322 -4.167 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.423 -6.604 -5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.578 -8.522 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.891 -8.125 -6.633 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.410 -7.233 -5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.670 -6.746 -7.102 1.00 0.00 H new ATOM 265 N VAL A 21 8.769 -4.496 -2.475 1.00 0.00 N ATOM 266 CA VAL A 21 9.010 -4.328 -1.052 1.00 0.00 C ATOM 267 C VAL A 21 8.749 -5.654 -0.334 1.00 0.00 C ATOM 268 O VAL A 21 8.398 -6.648 -0.968 1.00 0.00 O ATOM 269 CB VAL A 21 8.158 -3.178 -0.510 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.622 -1.836 -1.081 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.674 -3.412 -0.796 1.00 0.00 C ATOM 0 H VAL A 21 8.157 -3.793 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 21 10.051 -4.059 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 21 8.289 -3.145 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.000 -1.036 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.661 -1.662 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.535 -1.853 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.092 -2.580 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.518 -3.485 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.353 -4.338 -0.320 1.00 0.00 H new ATOM 281 N GLY A 22 8.932 -5.626 0.978 1.00 0.00 N ATOM 282 CA GLY A 22 8.722 -6.813 1.788 1.00 0.00 C ATOM 283 C GLY A 22 7.309 -7.368 1.592 1.00 0.00 C ATOM 284 O GLY A 22 6.650 -7.059 0.600 1.00 0.00 O ATOM 0 H GLY A 22 9.223 -4.800 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.456 -7.574 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.880 -6.573 2.839 1.00 0.00 H new ATOM 288 N HIS A 23 6.887 -8.177 2.552 1.00 0.00 N ATOM 289 CA HIS A 23 5.565 -8.777 2.497 1.00 0.00 C ATOM 290 C HIS A 23 4.530 -7.790 3.041 1.00 0.00 C ATOM 291 O HIS A 23 4.756 -7.151 4.067 1.00 0.00 O ATOM 292 CB HIS A 23 5.547 -10.120 3.231 1.00 0.00 C ATOM 293 CG HIS A 23 5.031 -10.038 4.648 1.00 0.00 C ATOM 294 ND1 HIS A 23 3.997 -10.830 5.116 1.00 0.00 N ATOM 295 CD2 HIS A 23 5.418 -9.252 5.693 1.00 0.00 C ATOM 296 CE1 HIS A 23 3.779 -10.525 6.387 1.00 0.00 C ATOM 297 NE2 HIS A 23 4.661 -9.547 6.743 1.00 0.00 N ATOM 0 H HIS A 23 7.437 -8.431 3.372 1.00 0.00 H new ATOM 0 HA HIS A 23 5.302 -8.991 1.461 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.929 -10.821 2.670 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.558 -10.528 3.246 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.489 -11.530 4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.207 -8.515 5.670 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.034 -10.972 7.028 1.00 0.00 H new ATOM 305 N LEU A 24 3.417 -7.698 2.329 1.00 0.00 N ATOM 306 CA LEU A 24 2.346 -6.799 2.727 1.00 0.00 C ATOM 307 C LEU A 24 1.758 -7.272 4.058 1.00 0.00 C ATOM 308 O LEU A 24 1.555 -8.468 4.261 1.00 0.00 O ATOM 309 CB LEU A 24 1.310 -6.671 1.608 1.00 0.00 C ATOM 310 CG LEU A 24 1.391 -5.399 0.762 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.670 -4.237 1.448 1.00 0.00 C ATOM 312 CD2 LEU A 24 2.844 -5.055 0.427 1.00 0.00 C ATOM 0 H LEU A 24 3.233 -8.231 1.479 1.00 0.00 H new ATOM 0 HA LEU A 24 2.733 -5.793 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.411 -7.531 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.316 -6.726 2.052 1.00 0.00 H new ATOM 0 HG LEU A 24 0.878 -5.583 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.743 -3.345 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.379 -4.494 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.132 -4.043 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.873 -4.147 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.403 -4.897 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.293 -5.876 -0.133 1.00 0.00 H new ATOM 324 N SER A 25 1.502 -6.309 4.931 1.00 0.00 N ATOM 325 CA SER A 25 0.942 -6.611 6.237 1.00 0.00 C ATOM 326 C SER A 25 -0.164 -5.610 6.576 1.00 0.00 C ATOM 327 O SER A 25 -0.052 -4.426 6.264 1.00 0.00 O ATOM 328 CB SER A 25 2.024 -6.593 7.318 1.00 0.00 C ATOM 329 OG SER A 25 3.142 -7.405 6.969 1.00 0.00 O ATOM 0 H SER A 25 1.672 -5.318 4.759 1.00 0.00 H new ATOM 0 HA SER A 25 0.517 -7.614 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.357 -5.568 7.480 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.601 -6.944 8.260 1.00 0.00 H new ATOM 0 HG SER A 25 3.091 -8.256 7.452 1.00 0.00 H new ATOM 335 N PHE A 26 -1.208 -6.124 7.211 1.00 0.00 N ATOM 336 CA PHE A 26 -2.334 -5.290 7.596 1.00 0.00 C ATOM 337 C PHE A 26 -2.731 -5.543 9.052 1.00 0.00 C ATOM 338 O PHE A 26 -2.981 -6.683 9.442 1.00 0.00 O ATOM 339 CB PHE A 26 -3.504 -5.670 6.687 1.00 0.00 C ATOM 340 CG PHE A 26 -3.199 -5.539 5.194 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.541 -4.444 4.727 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.587 -6.518 4.332 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.258 -4.323 3.341 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.304 -6.397 2.946 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.646 -5.302 2.480 1.00 0.00 C ATOM 0 H PHE A 26 -1.297 -7.107 7.468 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.068 -4.238 7.498 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.796 -6.698 6.899 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.359 -5.039 6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.234 -3.666 5.411 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.110 -7.387 4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.735 -3.454 2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.611 -7.174 2.262 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.431 -5.210 1.426 1.00 0.00 H new ATOM 355 N SER A 27 -2.777 -4.462 9.816 1.00 0.00 N ATOM 356 CA SER A 27 -3.139 -4.553 11.221 1.00 0.00 C ATOM 357 C SER A 27 -4.170 -3.476 11.565 1.00 0.00 C ATOM 358 O SER A 27 -4.509 -2.644 10.725 1.00 0.00 O ATOM 359 CB SER A 27 -1.908 -4.415 12.118 1.00 0.00 C ATOM 360 OG SER A 27 -1.366 -3.097 12.082 1.00 0.00 O ATOM 0 H SER A 27 -2.570 -3.518 9.489 1.00 0.00 H new ATOM 0 HA SER A 27 -3.575 -5.536 11.399 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.176 -4.669 13.144 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.147 -5.129 11.802 1.00 0.00 H new ATOM 0 HG SER A 27 -0.538 -3.070 12.605 1.00 0.00 H new ATOM 366 N GLU A 28 -4.641 -3.527 12.803 1.00 0.00 N ATOM 367 CA GLU A 28 -5.627 -2.567 13.269 1.00 0.00 C ATOM 368 C GLU A 28 -6.642 -2.269 12.164 1.00 0.00 C ATOM 369 O GLU A 28 -6.879 -1.109 11.831 1.00 0.00 O ATOM 370 CB GLU A 28 -4.953 -1.282 13.756 1.00 0.00 C ATOM 371 CG GLU A 28 -4.142 -1.537 15.028 1.00 0.00 C ATOM 372 CD GLU A 28 -4.780 -0.843 16.233 1.00 0.00 C ATOM 373 OE1 GLU A 28 -4.940 0.395 16.156 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.094 -1.565 17.204 1.00 0.00 O ATOM 0 H GLU A 28 -4.358 -4.218 13.497 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.158 -3.003 14.115 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.300 -0.892 12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.709 -0.521 13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.077 -2.609 15.213 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.123 -1.175 14.893 1.00 0.00 H new ATOM 381 N ILE A 29 -7.213 -3.336 11.626 1.00 0.00 N ATOM 382 CA ILE A 29 -8.197 -3.204 10.565 1.00 0.00 C ATOM 383 C ILE A 29 -9.576 -2.964 11.182 1.00 0.00 C ATOM 384 O ILE A 29 -9.974 -3.663 12.113 1.00 0.00 O ATOM 385 CB ILE A 29 -8.143 -4.413 9.630 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.702 -4.726 9.221 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.052 -4.209 8.416 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.660 -5.460 7.879 1.00 0.00 C ATOM 0 H ILE A 29 -7.013 -4.297 11.905 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.971 -2.339 9.942 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.520 -5.281 10.172 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.131 -3.800 9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.227 -5.337 9.989 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.995 -5.083 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.080 -4.072 8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.729 -3.326 7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.624 -5.670 7.612 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.212 -6.397 7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.114 -4.836 7.109 1.00 0.00 H new ATOM 400 N LEU A 30 -10.269 -1.974 10.638 1.00 0.00 N ATOM 401 CA LEU A 30 -11.596 -1.634 11.123 1.00 0.00 C ATOM 402 C LEU A 30 -12.632 -1.994 10.057 1.00 0.00 C ATOM 403 O LEU A 30 -12.688 -3.135 9.601 1.00 0.00 O ATOM 404 CB LEU A 30 -11.647 -0.169 11.560 1.00 0.00 C ATOM 405 CG LEU A 30 -10.811 0.194 12.789 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.133 -0.732 13.964 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.318 0.197 12.455 1.00 0.00 C ATOM 0 H LEU A 30 -9.936 -1.396 9.866 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.838 -2.217 12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.318 0.450 10.725 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.686 0.094 11.761 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.075 1.206 13.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.525 -0.453 14.825 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.189 -0.641 14.220 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.915 -1.763 13.685 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.746 0.458 13.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.020 -0.793 12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.122 0.928 11.671 1.00 0.00 H new ATOM 419 N ASP A 31 -13.426 -1.000 9.690 1.00 0.00 N ATOM 420 CA ASP A 31 -14.458 -1.197 8.685 1.00 0.00 C ATOM 421 C ASP A 31 -14.090 -0.416 7.422 1.00 0.00 C ATOM 422 O ASP A 31 -14.398 -0.845 6.311 1.00 0.00 O ATOM 423 CB ASP A 31 -15.812 -0.686 9.179 1.00 0.00 C ATOM 424 CG ASP A 31 -15.795 0.724 9.772 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.833 1.015 10.517 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.742 1.480 9.467 1.00 0.00 O ATOM 0 H ASP A 31 -13.376 -0.055 10.070 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.529 -2.265 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.516 -0.705 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.191 -1.376 9.933 1.00 0.00 H new ATOM 431 N THR A 32 -13.435 0.716 7.635 1.00 0.00 N ATOM 432 CA THR A 32 -13.022 1.561 6.527 1.00 0.00 C ATOM 433 C THR A 32 -11.638 2.155 6.797 1.00 0.00 C ATOM 434 O THR A 32 -11.258 3.154 6.188 1.00 0.00 O ATOM 435 CB THR A 32 -14.105 2.618 6.309 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.021 3.446 7.466 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.517 2.032 6.372 1.00 0.00 C ATOM 0 H THR A 32 -13.180 1.068 8.558 1.00 0.00 H new ATOM 0 HA THR A 32 -12.920 0.985 5.607 1.00 0.00 H new ATOM 0 HB THR A 32 -13.954 3.097 5.342 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.689 4.161 7.406 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.247 2.825 6.211 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.630 1.272 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.681 1.581 7.351 1.00 0.00 H new ATOM 445 N SER A 33 -10.922 1.515 7.710 1.00 0.00 N ATOM 446 CA SER A 33 -9.589 1.968 8.068 1.00 0.00 C ATOM 447 C SER A 33 -8.724 0.775 8.481 1.00 0.00 C ATOM 448 O SER A 33 -9.157 -0.069 9.264 1.00 0.00 O ATOM 449 CB SER A 33 -9.642 3.000 9.196 1.00 0.00 C ATOM 450 OG SER A 33 -10.785 2.823 10.028 1.00 0.00 O ATOM 0 H SER A 33 -11.240 0.686 8.212 1.00 0.00 H new ATOM 0 HA SER A 33 -9.145 2.446 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.738 2.923 9.800 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.656 4.003 8.769 1.00 0.00 H new ATOM 0 HG SER A 33 -10.782 3.500 10.737 1.00 0.00 H new ATOM 456 N LEU A 34 -7.517 0.742 7.934 1.00 0.00 N ATOM 457 CA LEU A 34 -6.588 -0.334 8.236 1.00 0.00 C ATOM 458 C LEU A 34 -5.155 0.175 8.070 1.00 0.00 C ATOM 459 O LEU A 34 -4.892 1.041 7.237 1.00 0.00 O ATOM 460 CB LEU A 34 -6.905 -1.568 7.389 1.00 0.00 C ATOM 461 CG LEU A 34 -6.741 -1.404 5.877 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.262 -1.350 5.488 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.492 -2.502 5.122 1.00 0.00 C ATOM 0 H LEU A 34 -7.161 1.443 7.284 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.696 -0.652 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.262 -2.385 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.933 -1.870 7.592 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.185 -0.452 5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.174 -1.233 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.786 -0.505 5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.771 -2.274 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.359 -2.362 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.100 -3.477 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.553 -2.451 5.366 1.00 0.00 H new ATOM 475 N LYS A 35 -4.265 -0.386 8.876 1.00 0.00 N ATOM 476 CA LYS A 35 -2.865 0.000 8.829 1.00 0.00 C ATOM 477 C LYS A 35 -2.117 -0.926 7.868 1.00 0.00 C ATOM 478 O LYS A 35 -2.318 -2.140 7.887 1.00 0.00 O ATOM 479 CB LYS A 35 -2.271 0.034 10.238 1.00 0.00 C ATOM 480 CG LYS A 35 -0.986 0.864 10.272 1.00 0.00 C ATOM 481 CD LYS A 35 0.225 0.016 9.879 1.00 0.00 C ATOM 482 CE LYS A 35 0.946 -0.518 11.118 1.00 0.00 C ATOM 483 NZ LYS A 35 1.158 -1.978 11.005 1.00 0.00 N ATOM 0 H LYS A 35 -4.486 -1.105 9.565 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.762 1.013 8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.998 0.454 10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.061 -0.982 10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.078 1.711 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.839 1.273 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.097 -0.817 9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.914 0.614 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.905 -0.013 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.360 -0.298 12.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.832 -2.288 11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.252 -2.472 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.539 -2.202 10.064 1.00 0.00 H new ATOM 497 N VAL A 36 -1.271 -0.319 7.049 1.00 0.00 N ATOM 498 CA VAL A 36 -0.492 -1.074 6.083 1.00 0.00 C ATOM 499 C VAL A 36 0.987 -1.020 6.472 1.00 0.00 C ATOM 500 O VAL A 36 1.514 0.050 6.774 1.00 0.00 O ATOM 501 CB VAL A 36 -0.758 -0.549 4.671 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.183 -1.201 3.656 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.221 -0.758 4.275 1.00 0.00 C ATOM 0 H VAL A 36 -1.108 0.688 7.035 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.791 -2.122 6.087 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.560 0.523 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.028 -0.810 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.216 -0.978 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.032 -2.280 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.383 -0.376 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.457 -1.822 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.867 -0.225 4.973 1.00 0.00 H new ATOM 513 N SER A 37 1.615 -2.186 6.451 1.00 0.00 N ATOM 514 CA SER A 37 3.022 -2.285 6.797 1.00 0.00 C ATOM 515 C SER A 37 3.740 -3.212 5.814 1.00 0.00 C ATOM 516 O SER A 37 3.192 -4.236 5.408 1.00 0.00 O ATOM 517 CB SER A 37 3.203 -2.790 8.230 1.00 0.00 C ATOM 518 OG SER A 37 2.168 -3.693 8.612 1.00 0.00 O ATOM 0 H SER A 37 1.175 -3.071 6.199 1.00 0.00 H new ATOM 0 HA SER A 37 3.460 -1.289 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.169 -3.287 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.215 -1.942 8.915 1.00 0.00 H new ATOM 0 HG SER A 37 2.320 -3.994 9.532 1.00 0.00 H new ATOM 524 N TRP A 38 4.954 -2.819 5.458 1.00 0.00 N ATOM 525 CA TRP A 38 5.752 -3.601 4.530 1.00 0.00 C ATOM 526 C TRP A 38 7.198 -3.596 5.028 1.00 0.00 C ATOM 527 O TRP A 38 7.475 -3.142 6.138 1.00 0.00 O ATOM 528 CB TRP A 38 5.610 -3.070 3.102 1.00 0.00 C ATOM 529 CG TRP A 38 5.948 -1.585 2.954 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.140 -1.032 2.691 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.029 -0.478 3.072 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.057 0.344 2.631 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.732 0.691 2.870 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.649 -0.466 3.341 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.141 1.959 2.915 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.072 0.809 3.383 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.767 1.996 3.182 1.00 0.00 C ATOM 0 H TRP A 38 5.404 -1.969 5.796 1.00 0.00 H new ATOM 0 HA TRP A 38 5.400 -4.632 4.494 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.260 -3.647 2.444 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.587 -3.235 2.764 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.051 -1.593 2.544 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.826 0.988 2.445 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.079 -1.369 3.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.714 2.860 2.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.013 0.875 3.586 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.249 2.943 3.232 1.00 0.00 H new ATOM 548 N GLN A 39 8.084 -4.106 4.185 1.00 0.00 N ATOM 549 CA GLN A 39 9.495 -4.166 4.526 1.00 0.00 C ATOM 550 C GLN A 39 10.348 -3.736 3.331 1.00 0.00 C ATOM 551 O GLN A 39 9.818 -3.402 2.273 1.00 0.00 O ATOM 552 CB GLN A 39 9.885 -5.566 5.003 1.00 0.00 C ATOM 553 CG GLN A 39 10.145 -5.579 6.511 1.00 0.00 C ATOM 554 CD GLN A 39 11.645 -5.635 6.807 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.459 -5.968 5.962 1.00 0.00 O ATOM 556 NE2 GLN A 39 11.964 -5.291 8.052 1.00 0.00 N ATOM 0 H GLN A 39 7.852 -4.482 3.266 1.00 0.00 H new ATOM 0 HA GLN A 39 9.680 -3.474 5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.090 -6.271 4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.778 -5.899 4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.714 -4.687 6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.649 -6.439 6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.233 -5.022 8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.940 -5.296 8.348 1.00 0.00 H new ATOM 565 N GLU A 40 11.656 -3.759 3.540 1.00 0.00 N ATOM 566 CA GLU A 40 12.589 -3.376 2.494 1.00 0.00 C ATOM 567 C GLU A 40 12.752 -4.516 1.486 1.00 0.00 C ATOM 568 O GLU A 40 12.854 -5.680 1.871 1.00 0.00 O ATOM 569 CB GLU A 40 13.940 -2.968 3.085 1.00 0.00 C ATOM 570 CG GLU A 40 14.416 -1.638 2.498 1.00 0.00 C ATOM 571 CD GLU A 40 15.200 -1.859 1.203 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.490 -3.039 0.910 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.493 -0.843 0.536 1.00 0.00 O ATOM 0 H GLU A 40 12.092 -4.037 4.419 1.00 0.00 H new ATOM 0 HA GLU A 40 12.183 -2.510 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.856 -2.882 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.679 -3.744 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.558 -0.995 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.044 -1.120 3.223 1.00 0.00 H new ATOM 580 N PRO A 41 12.774 -4.131 0.182 1.00 0.00 N ATOM 581 CA PRO A 41 12.924 -5.107 -0.884 1.00 0.00 C ATOM 582 C PRO A 41 14.367 -5.606 -0.972 1.00 0.00 C ATOM 583 O PRO A 41 15.288 -4.939 -0.503 1.00 0.00 O ATOM 584 CB PRO A 41 12.466 -4.389 -2.143 1.00 0.00 C ATOM 585 CG PRO A 41 12.519 -2.904 -1.818 1.00 0.00 C ATOM 586 CD PRO A 41 12.656 -2.762 -0.311 1.00 0.00 C ATOM 0 HA PRO A 41 12.331 -6.006 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.114 -4.628 -2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.457 -4.692 -2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.361 -2.432 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.616 -2.404 -2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.532 -2.169 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.790 -2.259 0.120 1.00 0.00 H new ATOM 594 N GLY A 42 14.520 -6.775 -1.576 1.00 0.00 N ATOM 595 CA GLY A 42 15.836 -7.371 -1.731 1.00 0.00 C ATOM 596 C GLY A 42 16.589 -6.741 -2.905 1.00 0.00 C ATOM 597 O GLY A 42 17.662 -7.208 -3.281 1.00 0.00 O ATOM 0 H GLY A 42 13.754 -7.326 -1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.409 -7.239 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.736 -8.444 -1.892 1.00 0.00 H new ATOM 601 N GLU A 43 15.995 -5.689 -3.451 1.00 0.00 N ATOM 602 CA GLU A 43 16.596 -4.990 -4.574 1.00 0.00 C ATOM 603 C GLU A 43 16.557 -3.478 -4.340 1.00 0.00 C ATOM 604 O GLU A 43 15.756 -2.772 -4.950 1.00 0.00 O ATOM 605 CB GLU A 43 15.900 -5.360 -5.885 1.00 0.00 C ATOM 606 CG GLU A 43 16.299 -6.765 -6.340 1.00 0.00 C ATOM 607 CD GLU A 43 17.595 -6.732 -7.152 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.503 -6.403 -8.354 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.648 -7.036 -6.552 1.00 0.00 O ATOM 0 H GLU A 43 15.104 -5.304 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 43 17.638 -5.299 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.819 -5.310 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.162 -4.636 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.427 -7.410 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.500 -7.197 -6.942 1.00 0.00 H new ATOM 616 N LYS A 44 17.434 -3.026 -3.455 1.00 0.00 N ATOM 617 CA LYS A 44 17.510 -1.611 -3.133 1.00 0.00 C ATOM 618 C LYS A 44 17.905 -0.828 -4.387 1.00 0.00 C ATOM 619 O LYS A 44 17.304 0.200 -4.696 1.00 0.00 O ATOM 620 CB LYS A 44 18.447 -1.382 -1.945 1.00 0.00 C ATOM 621 CG LYS A 44 17.780 -1.801 -0.633 1.00 0.00 C ATOM 622 CD LYS A 44 18.041 -0.770 0.468 1.00 0.00 C ATOM 623 CE LYS A 44 17.758 -1.361 1.850 1.00 0.00 C ATOM 624 NZ LYS A 44 18.990 -1.374 2.671 1.00 0.00 N ATOM 0 H LYS A 44 18.098 -3.615 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 44 16.535 -1.239 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.366 -1.950 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.727 -0.330 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.706 -1.912 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 44 18.160 -2.774 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.076 -0.433 0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.413 0.106 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.986 -0.776 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.372 -2.375 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.780 -1.778 3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.715 -1.951 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.341 -0.402 2.785 1.00 0.00 H new ATOM 638 N ASN A 45 18.912 -1.344 -5.076 1.00 0.00 N ATOM 639 CA ASN A 45 19.394 -0.706 -6.289 1.00 0.00 C ATOM 640 C ASN A 45 19.395 0.812 -6.096 1.00 0.00 C ATOM 641 O ASN A 45 18.614 1.522 -6.727 1.00 0.00 O ATOM 642 CB ASN A 45 18.488 -1.030 -7.479 1.00 0.00 C ATOM 643 CG ASN A 45 18.923 -2.328 -8.161 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.825 -2.356 -8.983 1.00 0.00 O ATOM 645 ND2 ASN A 45 18.234 -3.399 -7.777 1.00 0.00 N ATOM 0 H ASN A 45 19.408 -2.197 -4.817 1.00 0.00 H new ATOM 0 HA ASN A 45 20.399 -1.077 -6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.456 -1.121 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.517 -0.210 -8.197 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.449 -4.313 -8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.491 -3.306 -7.084 1.00 0.00 H new ATOM 652 N GLY A 46 20.281 1.264 -5.220 1.00 0.00 N ATOM 653 CA GLY A 46 20.394 2.684 -4.936 1.00 0.00 C ATOM 654 C GLY A 46 19.836 3.012 -3.549 1.00 0.00 C ATOM 655 O GLY A 46 19.309 2.136 -2.865 1.00 0.00 O ATOM 0 H GLY A 46 20.927 0.672 -4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.439 2.988 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.855 3.254 -5.693 1.00 0.00 H new ATOM 659 N ILE A 47 19.971 4.276 -3.176 1.00 0.00 N ATOM 660 CA ILE A 47 19.487 4.731 -1.883 1.00 0.00 C ATOM 661 C ILE A 47 18.019 5.142 -2.009 1.00 0.00 C ATOM 662 O ILE A 47 17.707 6.168 -2.611 1.00 0.00 O ATOM 663 CB ILE A 47 20.390 5.836 -1.332 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.768 5.283 -0.960 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.724 6.552 -0.156 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.641 4.071 -0.036 1.00 0.00 C ATOM 0 H ILE A 47 20.409 5.000 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 47 19.530 3.922 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 47 20.541 6.577 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.307 5.000 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.355 6.059 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.387 7.333 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.786 6.999 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.524 5.835 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.634 3.698 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 47 21.123 4.363 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 47 21.075 3.288 -0.539 1.00 0.00 H new ATOM 678 N LEU A 48 17.156 4.319 -1.431 1.00 0.00 N ATOM 679 CA LEU A 48 15.728 4.585 -1.470 1.00 0.00 C ATOM 680 C LEU A 48 15.487 6.084 -1.288 1.00 0.00 C ATOM 681 O LEU A 48 16.282 6.771 -0.649 1.00 0.00 O ATOM 682 CB LEU A 48 14.993 3.715 -0.449 1.00 0.00 C ATOM 683 CG LEU A 48 15.302 2.217 -0.496 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.474 1.453 0.539 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.107 1.662 -1.909 1.00 0.00 C ATOM 0 H LEU A 48 17.418 3.468 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 48 15.316 4.312 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.230 4.083 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.921 3.849 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 48 16.351 2.076 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.713 0.391 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.705 1.826 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.413 1.597 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.333 0.596 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.074 1.816 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.775 2.179 -2.598 1.00 0.00 H new ATOM 697 N THR A 49 14.387 6.549 -1.862 1.00 0.00 N ATOM 698 CA THR A 49 14.031 7.954 -1.771 1.00 0.00 C ATOM 699 C THR A 49 12.596 8.110 -1.263 1.00 0.00 C ATOM 700 O THR A 49 12.099 9.227 -1.129 1.00 0.00 O ATOM 701 CB THR A 49 14.262 8.590 -3.143 1.00 0.00 C ATOM 702 OG1 THR A 49 13.768 7.621 -4.063 1.00 0.00 O ATOM 703 CG2 THR A 49 15.748 8.710 -3.490 1.00 0.00 C ATOM 0 H THR A 49 13.730 5.977 -2.392 1.00 0.00 H new ATOM 0 HA THR A 49 14.657 8.474 -1.046 1.00 0.00 H new ATOM 0 HB THR A 49 13.803 9.578 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.673 8.029 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.856 9.167 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.247 9.330 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.201 7.718 -3.499 1.00 0.00 H new ATOM 711 N GLY A 50 11.971 6.973 -0.995 1.00 0.00 N ATOM 712 CA GLY A 50 10.603 6.968 -0.505 1.00 0.00 C ATOM 713 C GLY A 50 9.847 5.734 -1.000 1.00 0.00 C ATOM 714 O GLY A 50 10.416 4.888 -1.689 1.00 0.00 O ATOM 0 H GLY A 50 12.387 6.048 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.603 6.985 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.091 7.871 -0.838 1.00 0.00 H new ATOM 718 N TYR A 51 8.577 5.669 -0.629 1.00 0.00 N ATOM 719 CA TYR A 51 7.737 4.551 -1.027 1.00 0.00 C ATOM 720 C TYR A 51 6.386 5.041 -1.551 1.00 0.00 C ATOM 721 O TYR A 51 5.791 5.956 -0.984 1.00 0.00 O ATOM 722 CB TYR A 51 7.511 3.723 0.239 1.00 0.00 C ATOM 723 CG TYR A 51 8.735 2.921 0.686 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.058 1.742 0.047 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.516 3.379 1.728 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.211 0.988 0.468 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.668 2.625 2.149 1.00 0.00 C ATOM 728 CZ TYR A 51 10.959 1.466 1.498 1.00 0.00 C ATOM 729 OH TYR A 51 12.047 0.754 1.895 1.00 0.00 O ATOM 0 H TYR A 51 8.109 6.372 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 51 8.212 3.977 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.211 4.389 1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.682 3.036 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.447 1.384 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.263 4.303 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.475 0.063 -0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.287 2.971 2.963 1.00 0.00 H new ATOM 0 HH TYR A 51 12.600 1.305 2.488 1.00 0.00 H new ATOM 739 N ARG A 52 5.940 4.409 -2.627 1.00 0.00 N ATOM 740 CA ARG A 52 4.670 4.768 -3.234 1.00 0.00 C ATOM 741 C ARG A 52 3.600 3.735 -2.876 1.00 0.00 C ATOM 742 O ARG A 52 3.649 2.598 -3.343 1.00 0.00 O ATOM 743 CB ARG A 52 4.793 4.859 -4.756 1.00 0.00 C ATOM 744 CG ARG A 52 3.431 5.125 -5.401 1.00 0.00 C ATOM 745 CD ARG A 52 3.510 6.293 -6.387 1.00 0.00 C ATOM 746 NE ARG A 52 3.340 5.798 -7.771 1.00 0.00 N ATOM 747 CZ ARG A 52 2.164 5.427 -8.297 1.00 0.00 C ATOM 748 NH1 ARG A 52 1.049 5.492 -7.558 1.00 0.00 N ATOM 749 NH2 ARG A 52 2.105 4.991 -9.563 1.00 0.00 N ATOM 0 H ARG A 52 6.436 3.650 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 52 4.381 5.745 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.487 5.656 -5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.210 3.931 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.089 4.229 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.695 5.346 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.738 7.027 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.470 6.799 -6.288 1.00 0.00 H new ATOM 0 HE ARG A 52 4.169 5.735 -8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.094 5.824 -6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.154 5.210 -7.959 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.954 4.942 -10.125 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.211 4.709 -9.964 1.00 0.00 H new ATOM 763 N ILE A 53 2.658 4.167 -2.051 1.00 0.00 N ATOM 764 CA ILE A 53 1.577 3.294 -1.625 1.00 0.00 C ATOM 765 C ILE A 53 0.291 3.689 -2.353 1.00 0.00 C ATOM 766 O ILE A 53 0.083 4.862 -2.661 1.00 0.00 O ATOM 767 CB ILE A 53 1.449 3.304 -0.100 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.423 2.271 0.371 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.125 4.709 0.413 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.189 2.380 1.879 1.00 0.00 C ATOM 0 H ILE A 53 2.621 5.111 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 53 1.793 2.261 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 53 2.411 3.019 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.518 2.420 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.772 1.268 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.039 4.689 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.922 5.394 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.183 5.046 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.544 1.635 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.127 2.206 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.183 3.376 2.118 1.00 0.00 H new ATOM 782 N SER A 54 -0.538 2.688 -2.608 1.00 0.00 N ATOM 783 CA SER A 54 -1.798 2.916 -3.294 1.00 0.00 C ATOM 784 C SER A 54 -2.824 1.863 -2.869 1.00 0.00 C ATOM 785 O SER A 54 -2.656 0.678 -3.152 1.00 0.00 O ATOM 786 CB SER A 54 -1.611 2.892 -4.813 1.00 0.00 C ATOM 787 OG SER A 54 -0.254 2.661 -5.179 1.00 0.00 O ATOM 0 H SER A 54 -0.362 1.717 -2.352 1.00 0.00 H new ATOM 0 HA SER A 54 -2.164 3.904 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.240 2.113 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.944 3.840 -5.235 1.00 0.00 H new ATOM 0 HG SER A 54 -0.222 2.190 -6.038 1.00 0.00 H new ATOM 793 N TRP A 55 -3.864 2.333 -2.197 1.00 0.00 N ATOM 794 CA TRP A 55 -4.916 1.447 -1.730 1.00 0.00 C ATOM 795 C TRP A 55 -6.116 1.603 -2.667 1.00 0.00 C ATOM 796 O TRP A 55 -6.349 2.683 -3.208 1.00 0.00 O ATOM 797 CB TRP A 55 -5.261 1.729 -0.266 1.00 0.00 C ATOM 798 CG TRP A 55 -5.917 3.091 -0.032 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.145 3.488 -0.390 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.324 4.228 0.632 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.387 4.792 -0.007 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.245 5.256 0.634 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.052 4.382 1.211 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -5.991 6.510 1.201 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.815 5.642 1.774 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.731 6.687 1.784 1.00 0.00 C ATOM 0 H TRP A 55 -4.001 3.317 -1.965 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.585 0.409 -1.757 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.930 0.948 0.096 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.350 1.669 0.329 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.857 2.866 -0.913 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.246 5.318 -0.165 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.316 3.591 1.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.728 7.299 1.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.853 5.814 2.233 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.472 7.631 2.240 1.00 0.00 H new ATOM 817 N GLU A 56 -6.845 0.509 -2.829 1.00 0.00 N ATOM 818 CA GLU A 56 -8.015 0.510 -3.692 1.00 0.00 C ATOM 819 C GLU A 56 -8.828 -0.769 -3.486 1.00 0.00 C ATOM 820 O GLU A 56 -8.284 -1.796 -3.082 1.00 0.00 O ATOM 821 CB GLU A 56 -7.614 0.675 -5.159 1.00 0.00 C ATOM 822 CG GLU A 56 -7.175 -0.662 -5.761 1.00 0.00 C ATOM 823 CD GLU A 56 -6.458 -0.453 -7.096 1.00 0.00 C ATOM 824 OE1 GLU A 56 -6.981 0.348 -7.902 1.00 0.00 O ATOM 825 OE2 GLU A 56 -5.404 -1.097 -7.282 1.00 0.00 O ATOM 0 H GLU A 56 -6.649 -0.384 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.640 1.361 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.454 1.075 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.802 1.398 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.513 -1.178 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.045 -1.302 -5.908 1.00 0.00 H new ATOM 832 N GLU A 57 -10.117 -0.666 -3.772 1.00 0.00 N ATOM 833 CA GLU A 57 -11.010 -1.802 -3.623 1.00 0.00 C ATOM 834 C GLU A 57 -10.446 -3.021 -4.356 1.00 0.00 C ATOM 835 O GLU A 57 -9.335 -2.973 -4.883 1.00 0.00 O ATOM 836 CB GLU A 57 -12.416 -1.463 -4.124 1.00 0.00 C ATOM 837 CG GLU A 57 -13.351 -1.139 -2.957 1.00 0.00 C ATOM 838 CD GLU A 57 -14.789 -1.552 -3.275 1.00 0.00 C ATOM 839 OE1 GLU A 57 -15.052 -2.773 -3.227 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.593 -0.638 -3.558 1.00 0.00 O ATOM 0 H GLU A 57 -10.565 0.187 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.086 -2.043 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.368 -0.612 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.816 -2.303 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.011 -1.656 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.315 -0.071 -2.743 1.00 0.00 H new ATOM 847 N TYR A 58 -11.237 -4.083 -4.367 1.00 0.00 N ATOM 848 CA TYR A 58 -10.830 -5.313 -5.026 1.00 0.00 C ATOM 849 C TYR A 58 -10.710 -5.110 -6.538 1.00 0.00 C ATOM 850 O TYR A 58 -9.629 -5.260 -7.105 1.00 0.00 O ATOM 851 CB TYR A 58 -11.939 -6.329 -4.746 1.00 0.00 C ATOM 852 CG TYR A 58 -11.911 -7.550 -5.668 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.798 -8.365 -5.700 1.00 0.00 C ATOM 854 CD2 TYR A 58 -13.000 -7.836 -6.466 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.772 -9.514 -6.567 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.974 -8.985 -7.334 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.861 -9.768 -7.341 1.00 0.00 C ATOM 858 OH TYR A 58 -11.837 -10.853 -8.160 1.00 0.00 O ATOM 0 H TYR A 58 -12.158 -4.118 -3.930 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.859 -5.643 -4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.857 -6.665 -3.712 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.905 -5.834 -4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.946 -8.141 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.871 -7.198 -6.440 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.907 -10.160 -6.602 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.819 -9.220 -7.965 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.683 -10.910 -8.652 1.00 0.00 H new ATOM 868 N ASN A 59 -11.837 -4.773 -7.149 1.00 0.00 N ATOM 869 CA ASN A 59 -11.872 -4.548 -8.584 1.00 0.00 C ATOM 870 C ASN A 59 -12.480 -3.172 -8.865 1.00 0.00 C ATOM 871 O ASN A 59 -13.569 -3.075 -9.429 1.00 0.00 O ATOM 872 CB ASN A 59 -12.735 -5.599 -9.285 1.00 0.00 C ATOM 873 CG ASN A 59 -14.184 -5.531 -8.798 1.00 0.00 C ATOM 874 OD1 ASN A 59 -14.495 -4.950 -7.772 1.00 0.00 O ATOM 875 ND2 ASN A 59 -15.050 -6.157 -9.590 1.00 0.00 N ATOM 0 H ASN A 59 -12.732 -4.650 -6.676 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.851 -4.610 -8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.702 -5.442 -10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.330 -6.593 -9.095 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.042 -6.170 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.722 -6.624 -10.435 1.00 0.00 H new ATOM 882 N ARG A 60 -11.749 -2.144 -8.461 1.00 0.00 N ATOM 883 CA ARG A 60 -12.203 -0.778 -8.663 1.00 0.00 C ATOM 884 C ARG A 60 -11.014 0.184 -8.641 1.00 0.00 C ATOM 885 O ARG A 60 -10.524 0.548 -7.573 1.00 0.00 O ATOM 886 CB ARG A 60 -13.204 -0.365 -7.582 1.00 0.00 C ATOM 887 CG ARG A 60 -14.257 -1.454 -7.365 1.00 0.00 C ATOM 888 CD ARG A 60 -15.283 -1.022 -6.315 1.00 0.00 C ATOM 889 NE ARG A 60 -16.582 -0.738 -6.965 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.454 -1.681 -7.345 1.00 0.00 C ATOM 891 NH1 ARG A 60 -17.172 -2.975 -7.143 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.609 -1.330 -7.928 1.00 0.00 N ATOM 0 H ARG A 60 -10.846 -2.229 -7.995 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.695 -0.732 -9.635 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.677 -0.173 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.692 0.566 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.763 -1.669 -8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.771 -2.376 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.404 -1.807 -5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.928 -0.135 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.829 0.237 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.293 -3.242 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.836 -3.693 -7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.824 -0.345 -8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.273 -2.048 -8.217 1.00 0.00 H new ATOM 906 N THR A 61 -10.584 0.570 -9.834 1.00 0.00 N ATOM 907 CA THR A 61 -9.462 1.484 -9.966 1.00 0.00 C ATOM 908 C THR A 61 -9.905 2.918 -9.673 1.00 0.00 C ATOM 909 O THR A 61 -9.072 3.810 -9.518 1.00 0.00 O ATOM 910 CB THR A 61 -8.868 1.304 -11.365 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.314 -0.008 -11.341 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.663 2.214 -11.610 1.00 0.00 C ATOM 0 H THR A 61 -10.993 0.266 -10.718 1.00 0.00 H new ATOM 0 HA THR A 61 -8.683 1.263 -9.236 1.00 0.00 H new ATOM 0 HB THR A 61 -9.634 1.507 -12.114 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.909 -0.208 -12.211 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.280 2.047 -12.617 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.967 3.256 -11.506 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.883 1.989 -10.883 1.00 0.00 H new ATOM 920 N ASN A 62 -11.216 3.097 -9.606 1.00 0.00 N ATOM 921 CA ASN A 62 -11.780 4.408 -9.335 1.00 0.00 C ATOM 922 C ASN A 62 -11.660 4.711 -7.840 1.00 0.00 C ATOM 923 O ASN A 62 -12.018 5.799 -7.393 1.00 0.00 O ATOM 924 CB ASN A 62 -13.263 4.459 -9.710 1.00 0.00 C ATOM 925 CG ASN A 62 -14.109 3.672 -8.707 1.00 0.00 C ATOM 926 OD1 ASN A 62 -14.347 4.097 -7.588 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.550 2.506 -9.169 1.00 0.00 N ATOM 0 H ASN A 62 -11.904 2.355 -9.735 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.233 5.139 -9.930 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.599 5.496 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.403 4.049 -10.710 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.125 1.907 -8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.314 2.210 -10.116 1.00 0.00 H new ATOM 934 N THR A 63 -11.156 3.728 -7.109 1.00 0.00 N ATOM 935 CA THR A 63 -10.984 3.876 -5.673 1.00 0.00 C ATOM 936 C THR A 63 -9.506 3.759 -5.298 1.00 0.00 C ATOM 937 O THR A 63 -9.173 3.319 -4.198 1.00 0.00 O ATOM 938 CB THR A 63 -11.871 2.837 -4.982 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.265 1.590 -5.311 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.265 2.751 -5.605 1.00 0.00 C ATOM 0 H THR A 63 -10.861 2.826 -7.483 1.00 0.00 H new ATOM 0 HA THR A 63 -11.294 4.865 -5.337 1.00 0.00 H new ATOM 0 HB THR A 63 -11.961 3.082 -3.924 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.331 1.439 -6.277 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.853 2.000 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.759 3.719 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.178 2.472 -6.655 1.00 0.00 H new ATOM 948 N ARG A 64 -8.657 4.160 -6.233 1.00 0.00 N ATOM 949 CA ARG A 64 -7.222 4.106 -6.015 1.00 0.00 C ATOM 950 C ARG A 64 -6.697 5.478 -5.588 1.00 0.00 C ATOM 951 O ARG A 64 -7.120 6.502 -6.124 1.00 0.00 O ATOM 952 CB ARG A 64 -6.488 3.658 -7.280 1.00 0.00 C ATOM 953 CG ARG A 64 -5.026 3.325 -6.978 1.00 0.00 C ATOM 954 CD ARG A 64 -4.248 3.050 -8.267 1.00 0.00 C ATOM 955 NE ARG A 64 -2.795 3.171 -8.017 1.00 0.00 N ATOM 956 CZ ARG A 64 -1.853 2.976 -8.950 1.00 0.00 C ATOM 957 NH1 ARG A 64 -2.206 2.650 -10.200 1.00 0.00 N ATOM 958 NH2 ARG A 64 -0.558 3.107 -8.632 1.00 0.00 N ATOM 0 H ARG A 64 -8.936 4.524 -7.144 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.035 3.380 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.984 2.784 -7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.537 4.446 -8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.564 4.153 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.975 2.453 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.480 2.051 -8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.552 3.754 -9.042 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.491 3.418 -7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.192 2.550 -10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.489 2.502 -10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.289 3.355 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.159 2.959 -9.342 1.00 0.00 H new ATOM 972 N VAL A 65 -5.785 5.456 -4.628 1.00 0.00 N ATOM 973 CA VAL A 65 -5.199 6.686 -4.124 1.00 0.00 C ATOM 974 C VAL A 65 -3.685 6.652 -4.344 1.00 0.00 C ATOM 975 O VAL A 65 -3.103 5.582 -4.519 1.00 0.00 O ATOM 976 CB VAL A 65 -5.585 6.887 -2.657 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.866 5.880 -1.758 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.304 8.322 -2.208 1.00 0.00 C ATOM 0 H VAL A 65 -5.437 4.605 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.588 7.546 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.657 6.711 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.158 6.045 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.139 4.867 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.788 6.009 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.587 8.438 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.242 8.538 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.883 9.014 -2.819 1.00 0.00 H new ATOM 988 N THR A 66 -3.090 7.836 -4.328 1.00 0.00 N ATOM 989 CA THR A 66 -1.655 7.955 -4.523 1.00 0.00 C ATOM 990 C THR A 66 -1.024 8.746 -3.376 1.00 0.00 C ATOM 991 O THR A 66 -1.306 9.931 -3.205 1.00 0.00 O ATOM 992 CB THR A 66 -1.416 8.583 -5.898 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.027 7.672 -6.807 1.00 0.00 O ATOM 994 CG2 THR A 66 0.061 8.574 -6.297 1.00 0.00 C ATOM 0 H THR A 66 -3.576 8.721 -4.183 1.00 0.00 H new ATOM 0 HA THR A 66 -1.171 6.978 -4.506 1.00 0.00 H new ATOM 0 HB THR A 66 -1.785 9.608 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.920 8.003 -7.723 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.175 9.031 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.639 9.139 -5.565 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.423 7.546 -6.330 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.183 8.058 -2.618 1.00 0.00 N ATOM 1003 CA HIS A 67 0.490 8.681 -1.491 1.00 0.00 C ATOM 1004 C HIS A 67 2.002 8.496 -1.630 1.00 0.00 C ATOM 1005 O HIS A 67 2.459 7.621 -2.364 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.054 8.142 -0.167 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.156 8.984 0.432 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.313 8.623 1.058 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.132 10.368 0.422 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -2.960 9.727 1.412 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.230 10.809 1.018 1.00 0.00 N flip ATOM 0 H HIS A 67 0.048 7.075 -2.762 1.00 0.00 H new ATOM 0 HA HIS A 67 0.289 9.752 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.428 7.130 -0.325 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.765 8.071 0.549 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.628 7.667 1.226 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.351 10.983 0.000 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.908 9.762 1.927 1.00 0.00 H new ATOM 1019 N TYR A 68 2.738 9.333 -0.913 1.00 0.00 N ATOM 1020 CA TYR A 68 4.189 9.272 -0.947 1.00 0.00 C ATOM 1021 C TYR A 68 4.772 9.295 0.468 1.00 0.00 C ATOM 1022 O TYR A 68 4.398 10.136 1.284 1.00 0.00 O ATOM 1023 CB TYR A 68 4.646 10.526 -1.694 1.00 0.00 C ATOM 1024 CG TYR A 68 4.493 10.435 -3.214 1.00 0.00 C ATOM 1025 CD1 TYR A 68 5.084 9.398 -3.906 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.764 11.391 -3.892 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.939 9.313 -5.337 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.619 11.305 -5.322 1.00 0.00 C ATOM 1029 CZ TYR A 68 4.214 10.271 -5.974 1.00 0.00 C ATOM 1030 OH TYR A 68 4.078 10.190 -7.325 1.00 0.00 O ATOM 0 H TYR A 68 2.356 10.057 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 68 4.523 8.353 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.074 11.381 -1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.692 10.718 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.655 8.650 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.302 12.203 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.396 8.507 -5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.050 12.046 -5.865 1.00 0.00 H new ATOM 0 HH TYR A 68 3.534 10.940 -7.645 1.00 0.00 H new ATOM 1040 N LEU A 69 5.678 8.361 0.715 1.00 0.00 N ATOM 1041 CA LEU A 69 6.317 8.263 2.017 1.00 0.00 C ATOM 1042 C LEU A 69 7.836 8.275 1.837 1.00 0.00 C ATOM 1043 O LEU A 69 8.338 8.013 0.745 1.00 0.00 O ATOM 1044 CB LEU A 69 5.797 7.042 2.778 1.00 0.00 C ATOM 1045 CG LEU A 69 4.297 6.763 2.655 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.989 5.290 2.933 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.490 7.698 3.557 1.00 0.00 C ATOM 0 H LEU A 69 5.985 7.665 0.036 1.00 0.00 H new ATOM 0 HA LEU A 69 6.062 9.126 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.340 6.163 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.038 7.167 3.834 1.00 0.00 H new ATOM 0 HG LEU A 69 3.994 6.967 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.917 5.118 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.521 4.665 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.310 5.036 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.428 7.479 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.789 7.550 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.678 8.733 3.269 1.00 0.00 H new ATOM 1059 N PRO A 70 8.544 8.589 2.954 1.00 0.00 N ATOM 1060 CA PRO A 70 9.996 8.639 2.931 1.00 0.00 C ATOM 1061 C PRO A 70 10.593 7.230 2.908 1.00 0.00 C ATOM 1062 O PRO A 70 9.867 6.243 3.016 1.00 0.00 O ATOM 1063 CB PRO A 70 10.383 9.427 4.172 1.00 0.00 C ATOM 1064 CG PRO A 70 9.169 9.390 5.085 1.00 0.00 C ATOM 1065 CD PRO A 70 7.984 8.905 4.265 1.00 0.00 C ATOM 0 HA PRO A 70 10.386 9.119 2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.252 8.985 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.648 10.453 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.347 8.724 5.930 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.970 10.380 5.496 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.520 8.029 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.213 9.672 4.192 1.00 0.00 H new ATOM 1073 N ASN A 71 11.909 7.181 2.765 1.00 0.00 N ATOM 1074 CA ASN A 71 12.611 5.910 2.726 1.00 0.00 C ATOM 1075 C ASN A 71 12.896 5.445 4.156 1.00 0.00 C ATOM 1076 O ASN A 71 13.771 4.610 4.379 1.00 0.00 O ATOM 1077 CB ASN A 71 13.949 6.042 1.997 1.00 0.00 C ATOM 1078 CG ASN A 71 14.748 7.234 2.528 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.216 8.151 3.132 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.051 7.170 2.270 1.00 0.00 N ATOM 0 H ASN A 71 12.508 8.002 2.675 1.00 0.00 H new ATOM 0 HA ASN A 71 11.982 5.194 2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.528 5.127 2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.774 6.164 0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.670 7.918 2.583 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.431 6.373 1.759 1.00 0.00 H new ATOM 1087 N VAL A 72 12.140 6.007 5.088 1.00 0.00 N ATOM 1088 CA VAL A 72 12.300 5.661 6.490 1.00 0.00 C ATOM 1089 C VAL A 72 11.017 5.000 6.998 1.00 0.00 C ATOM 1090 O VAL A 72 11.024 4.336 8.033 1.00 0.00 O ATOM 1091 CB VAL A 72 12.691 6.903 7.294 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.929 7.575 6.697 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.524 7.887 7.387 1.00 0.00 C ATOM 0 H VAL A 72 11.415 6.699 4.900 1.00 0.00 H new ATOM 0 HA VAL A 72 13.108 4.941 6.615 1.00 0.00 H new ATOM 0 HB VAL A 72 12.939 6.582 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.186 8.455 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.764 6.875 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.721 7.875 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.829 8.760 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.230 8.199 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.680 7.404 7.879 1.00 0.00 H new ATOM 1103 N THR A 73 9.946 5.206 6.245 1.00 0.00 N ATOM 1104 CA THR A 73 8.658 4.638 6.606 1.00 0.00 C ATOM 1105 C THR A 73 8.326 3.450 5.700 1.00 0.00 C ATOM 1106 O THR A 73 8.606 3.481 4.503 1.00 0.00 O ATOM 1107 CB THR A 73 7.615 5.756 6.547 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.886 6.544 7.704 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.192 5.242 6.771 1.00 0.00 C ATOM 0 H THR A 73 9.944 5.758 5.387 1.00 0.00 H new ATOM 0 HA THR A 73 8.672 4.239 7.620 1.00 0.00 H new ATOM 0 HB THR A 73 7.672 6.255 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.256 7.294 7.744 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.492 6.076 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.944 4.511 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.125 4.773 7.752 1.00 0.00 H new ATOM 1117 N LEU A 74 7.735 2.432 6.307 1.00 0.00 N ATOM 1118 CA LEU A 74 7.362 1.236 5.570 1.00 0.00 C ATOM 1119 C LEU A 74 5.938 0.829 5.954 1.00 0.00 C ATOM 1120 O LEU A 74 5.466 -0.238 5.562 1.00 0.00 O ATOM 1121 CB LEU A 74 8.397 0.130 5.785 1.00 0.00 C ATOM 1122 CG LEU A 74 9.861 0.574 5.791 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.690 -0.286 6.747 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.439 0.575 4.374 1.00 0.00 C ATOM 0 H LEU A 74 7.505 2.410 7.301 1.00 0.00 H new ATOM 0 HA LEU A 74 7.359 1.434 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.183 -0.361 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.268 -0.618 5.003 1.00 0.00 H new ATOM 0 HG LEU A 74 9.906 1.599 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.727 0.050 6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.292 -0.193 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.642 -1.329 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.481 0.894 4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.380 -0.430 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.868 1.262 3.749 1.00 0.00 H new ATOM 1136 N GLU A 75 5.293 1.700 6.716 1.00 0.00 N ATOM 1137 CA GLU A 75 3.932 1.444 7.158 1.00 0.00 C ATOM 1138 C GLU A 75 3.103 2.728 7.094 1.00 0.00 C ATOM 1139 O GLU A 75 3.638 3.825 7.253 1.00 0.00 O ATOM 1140 CB GLU A 75 3.916 0.850 8.567 1.00 0.00 C ATOM 1141 CG GLU A 75 4.233 1.917 9.616 1.00 0.00 C ATOM 1142 CD GLU A 75 5.525 1.584 10.364 1.00 0.00 C ATOM 1143 OE1 GLU A 75 6.598 1.945 9.833 1.00 0.00 O ATOM 1144 OE2 GLU A 75 5.412 0.975 11.450 1.00 0.00 O ATOM 0 H GLU A 75 5.687 2.584 7.039 1.00 0.00 H new ATOM 0 HA GLU A 75 3.484 0.712 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.938 0.414 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.645 0.042 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.329 2.890 9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.408 1.992 10.324 1.00 0.00 H new ATOM 1151 N TYR A 76 1.811 2.550 6.862 1.00 0.00 N ATOM 1152 CA TYR A 76 0.903 3.681 6.776 1.00 0.00 C ATOM 1153 C TYR A 76 -0.539 3.248 7.043 1.00 0.00 C ATOM 1154 O TYR A 76 -0.906 2.103 6.785 1.00 0.00 O ATOM 1155 CB TYR A 76 1.010 4.199 5.340 1.00 0.00 C ATOM 1156 CG TYR A 76 0.135 5.421 5.052 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.190 5.254 4.705 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.671 6.690 5.141 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.014 6.404 4.434 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.153 7.840 4.870 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.454 7.640 4.530 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.232 8.726 4.275 1.00 0.00 O ATOM 0 H TYR A 76 1.371 1.639 6.731 1.00 0.00 H new ATOM 0 HA TYR A 76 1.163 4.439 7.515 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.050 4.452 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.734 3.398 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.609 4.261 4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.708 6.821 5.414 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.052 6.288 4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.254 8.838 4.935 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.700 9.542 4.383 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.319 4.187 7.559 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.714 3.917 7.865 1.00 0.00 C ATOM 1174 C ARG A 77 -3.610 4.386 6.716 1.00 0.00 C ATOM 1175 O ARG A 77 -3.508 5.528 6.271 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.141 4.619 9.155 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.368 3.941 9.768 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.529 4.928 9.904 1.00 0.00 C ATOM 1179 NE ARG A 77 -6.113 4.839 11.261 1.00 0.00 N ATOM 1180 CZ ARG A 77 -6.940 5.754 11.784 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -7.286 6.832 11.068 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -7.421 5.591 13.024 1.00 0.00 N ATOM 0 H ARG A 77 -1.011 5.136 7.773 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.822 2.841 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.318 4.605 9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.365 5.665 8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.672 3.100 9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.113 3.537 10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.178 5.943 9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.291 4.711 9.156 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.871 4.031 11.834 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.920 6.956 10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.916 7.528 11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.157 4.770 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.051 6.288 13.422 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.467 3.480 6.269 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.380 3.787 5.181 1.00 0.00 C ATOM 1198 C VAL A 78 -6.751 4.147 5.758 1.00 0.00 C ATOM 1199 O VAL A 78 -7.130 3.656 6.820 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.434 2.617 4.198 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.407 2.907 3.053 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.040 2.285 3.662 1.00 0.00 C ATOM 0 H VAL A 78 -4.548 2.533 6.640 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.027 4.651 4.618 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.802 1.744 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.426 2.059 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.406 3.070 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.083 3.799 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.108 1.449 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.632 3.155 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.386 2.014 4.491 1.00 0.00 H new ATOM 1212 N THR A 79 -7.456 5.003 5.032 1.00 0.00 N ATOM 1213 CA THR A 79 -8.777 5.434 5.458 1.00 0.00 C ATOM 1214 C THR A 79 -9.623 5.835 4.248 1.00 0.00 C ATOM 1215 O THR A 79 -9.104 6.383 3.277 1.00 0.00 O ATOM 1216 CB THR A 79 -8.600 6.563 6.477 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.951 7.596 5.740 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.600 6.206 7.578 1.00 0.00 C ATOM 0 H THR A 79 -7.138 5.409 4.152 1.00 0.00 H new ATOM 0 HA THR A 79 -9.321 4.623 5.941 1.00 0.00 H new ATOM 0 HB THR A 79 -9.564 6.802 6.926 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.799 8.368 6.324 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.512 7.040 8.274 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.948 5.323 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.627 6.000 7.133 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.912 5.546 4.347 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.836 5.869 3.272 1.00 0.00 C ATOM 1228 C GLY A 80 -12.227 4.614 2.489 1.00 0.00 C ATOM 1229 O GLY A 80 -12.616 4.700 1.326 1.00 0.00 O ATOM 0 H GLY A 80 -11.339 5.092 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.730 6.338 3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.378 6.594 2.599 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.111 3.477 3.160 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.448 2.206 2.542 1.00 0.00 C ATOM 1235 C LEU A 81 -13.929 1.906 2.778 1.00 0.00 C ATOM 1236 O LEU A 81 -14.731 2.821 2.960 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.510 1.104 3.038 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.040 1.496 3.196 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.346 0.613 4.236 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.316 1.469 1.848 1.00 0.00 C ATOM 0 H LEU A 81 -11.788 3.410 4.125 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.301 2.256 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.876 0.749 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.569 0.265 2.345 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.998 2.521 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.302 0.912 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.843 0.726 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.398 -0.429 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.273 1.752 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.366 0.464 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.793 2.172 1.165 1.00 0.00 H new ATOM 1252 N THR A 82 -14.249 0.620 2.768 1.00 0.00 N ATOM 1253 CA THR A 82 -15.619 0.187 2.980 1.00 0.00 C ATOM 1254 C THR A 82 -15.664 -0.983 3.964 1.00 0.00 C ATOM 1255 O THR A 82 -14.712 -1.756 4.058 1.00 0.00 O ATOM 1256 CB THR A 82 -16.227 -0.143 1.615 1.00 0.00 C ATOM 1257 OG1 THR A 82 -16.396 1.128 0.993 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.649 -0.697 1.725 1.00 0.00 C ATOM 0 H THR A 82 -13.582 -0.136 2.616 1.00 0.00 H new ATOM 0 HA THR A 82 -16.216 0.976 3.436 1.00 0.00 H new ATOM 0 HB THR A 82 -15.594 -0.868 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.582 1.362 0.500 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.033 -0.914 0.728 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.638 -1.612 2.317 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.290 0.040 2.208 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.779 -1.077 4.673 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.960 -2.140 5.646 1.00 0.00 C ATOM 1268 C ALA A 83 -17.192 -3.463 4.914 1.00 0.00 C ATOM 1269 O ALA A 83 -17.839 -3.492 3.868 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.115 -1.782 6.584 1.00 0.00 C ATOM 0 H ALA A 83 -17.567 -0.434 4.593 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.066 -2.255 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.251 -2.580 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.888 -0.850 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.030 -1.661 6.004 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.651 -4.525 5.491 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.790 -5.848 4.906 1.00 0.00 C ATOM 1278 C LEU A 84 -16.644 -5.746 3.387 1.00 0.00 C ATOM 1279 O LEU A 84 -17.564 -6.091 2.647 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.101 -6.497 5.356 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.330 -6.568 6.867 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.462 -7.541 7.205 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.035 -6.919 7.602 1.00 0.00 C ATOM 0 H LEU A 84 -16.115 -4.497 6.358 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.997 -6.507 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.928 -5.946 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.138 -7.510 4.955 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.639 -5.581 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.604 -7.573 8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.383 -7.207 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.206 -8.537 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.226 -6.963 8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.672 -7.888 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.283 -6.157 7.398 1.00 0.00 H new ATOM 1295 N THR A 85 -15.480 -5.272 2.967 1.00 0.00 N ATOM 1296 CA THR A 85 -15.202 -5.121 1.549 1.00 0.00 C ATOM 1297 C THR A 85 -13.754 -5.511 1.245 1.00 0.00 C ATOM 1298 O THR A 85 -12.859 -5.266 2.052 1.00 0.00 O ATOM 1299 CB THR A 85 -15.539 -3.683 1.151 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.962 -3.667 1.078 1.00 0.00 O ATOM 1301 CG2 THR A 85 -15.090 -3.348 -0.273 1.00 0.00 C ATOM 0 H THR A 85 -14.719 -4.988 3.584 1.00 0.00 H new ATOM 0 HA THR A 85 -15.819 -5.792 0.952 1.00 0.00 H new ATOM 0 HB THR A 85 -15.068 -2.994 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.336 -3.627 1.983 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.353 -2.316 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.010 -3.474 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.586 -4.016 -0.977 1.00 0.00 H new ATOM 1309 N THR A 86 -13.569 -6.113 0.079 1.00 0.00 N ATOM 1310 CA THR A 86 -12.245 -6.540 -0.341 1.00 0.00 C ATOM 1311 C THR A 86 -11.478 -5.368 -0.957 1.00 0.00 C ATOM 1312 O THR A 86 -11.978 -4.699 -1.859 1.00 0.00 O ATOM 1313 CB THR A 86 -12.411 -7.726 -1.293 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.113 -8.696 -0.521 1.00 0.00 O ATOM 1315 CG2 THR A 86 -11.079 -8.404 -1.621 1.00 0.00 C ATOM 0 H THR A 86 -14.314 -6.315 -0.588 1.00 0.00 H new ATOM 0 HA THR A 86 -11.646 -6.869 0.509 1.00 0.00 H new ATOM 0 HB THR A 86 -12.883 -7.387 -2.215 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.265 -9.498 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.253 -9.239 -2.300 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.411 -7.684 -2.095 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.622 -8.772 -0.702 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.274 -5.156 -0.445 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.433 -4.077 -0.933 1.00 0.00 C ATOM 1325 C TYR A 87 -8.009 -4.571 -1.201 1.00 0.00 C ATOM 1326 O TYR A 87 -7.558 -5.538 -0.590 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.395 -3.033 0.184 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.550 -2.030 0.137 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.726 -2.300 0.808 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.416 -0.856 -0.576 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.812 -1.356 0.763 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.502 0.088 -0.620 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.647 -0.209 0.052 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.673 0.683 0.010 1.00 0.00 O ATOM 0 H TYR A 87 -9.861 -5.714 0.303 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.827 -3.676 -1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.410 -3.545 1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.452 -2.489 0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.831 -3.219 1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.496 -0.645 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.738 -1.555 1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.410 1.011 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.413 1.456 -0.534 1.00 0.00 H new ATOM 1344 N THR A 88 -7.342 -3.884 -2.117 1.00 0.00 N ATOM 1345 CA THR A 88 -5.979 -4.240 -2.474 1.00 0.00 C ATOM 1346 C THR A 88 -5.035 -3.065 -2.210 1.00 0.00 C ATOM 1347 O THR A 88 -5.219 -1.981 -2.760 1.00 0.00 O ATOM 1348 CB THR A 88 -5.978 -4.705 -3.931 1.00 0.00 C ATOM 1349 OG1 THR A 88 -6.077 -6.124 -3.843 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.633 -4.467 -4.621 1.00 0.00 C ATOM 0 H THR A 88 -7.720 -3.083 -2.623 1.00 0.00 H new ATOM 0 HA THR A 88 -5.609 -5.059 -1.857 1.00 0.00 H new ATOM 0 HB THR A 88 -6.764 -4.184 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.085 -6.508 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.687 -4.815 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.401 -3.402 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.852 -5.014 -4.094 1.00 0.00 H new ATOM 1358 N ILE A 89 -4.044 -3.322 -1.369 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.070 -2.299 -1.026 1.00 0.00 C ATOM 1360 C ILE A 89 -1.755 -2.589 -1.754 1.00 0.00 C ATOM 1361 O ILE A 89 -1.153 -3.644 -1.559 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.921 -2.190 0.493 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.285 -2.241 1.183 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.131 -0.936 0.877 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.292 -1.330 0.477 1.00 0.00 C ATOM 0 H ILE A 89 -3.894 -4.223 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.411 -1.319 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.351 -3.051 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.657 -3.266 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.181 -1.936 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.039 -0.882 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.138 -0.981 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.653 -0.051 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.253 -1.385 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.929 -0.302 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.412 -1.653 -0.557 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.349 -1.633 -2.576 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.116 -1.772 -3.334 1.00 0.00 C ATOM 1379 C GLU A 90 0.982 -0.897 -2.726 1.00 0.00 C ATOM 1380 O GLU A 90 0.787 0.301 -2.527 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.338 -1.429 -4.808 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.521 -2.211 -5.382 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.490 -1.281 -6.114 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -3.091 -0.431 -5.422 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -2.609 -1.442 -7.348 1.00 0.00 O ATOM 0 H GLU A 90 -1.851 -0.759 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 90 0.205 -2.812 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.520 -0.359 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.563 -1.656 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.157 -2.976 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.045 -2.727 -4.578 1.00 0.00 H new ATOM 1392 N VAL A 91 2.112 -1.530 -2.448 1.00 0.00 N ATOM 1393 CA VAL A 91 3.242 -0.825 -1.867 1.00 0.00 C ATOM 1394 C VAL A 91 4.437 -0.914 -2.817 1.00 0.00 C ATOM 1395 O VAL A 91 4.870 -2.008 -3.175 1.00 0.00 O ATOM 1396 CB VAL A 91 3.544 -1.378 -0.473 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.817 -0.754 0.101 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.357 -1.168 0.470 1.00 0.00 C ATOM 0 H VAL A 91 2.269 -2.524 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 91 3.007 0.232 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 91 3.711 -2.451 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.008 -1.165 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.659 -0.978 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.692 0.326 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.598 -1.570 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.145 -0.102 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.482 -1.682 0.073 1.00 0.00 H new ATOM 1408 N ALA A 92 4.937 0.252 -3.200 1.00 0.00 N ATOM 1409 CA ALA A 92 6.074 0.320 -4.102 1.00 0.00 C ATOM 1410 C ALA A 92 7.157 1.206 -3.485 1.00 0.00 C ATOM 1411 O ALA A 92 6.857 2.102 -2.697 1.00 0.00 O ATOM 1412 CB ALA A 92 5.612 0.829 -5.468 1.00 0.00 C ATOM 0 H ALA A 92 4.575 1.158 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 92 6.505 -0.670 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.465 0.880 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.865 0.148 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.176 1.822 -5.358 1.00 0.00 H new ATOM 1418 N ALA A 93 8.395 0.926 -3.866 1.00 0.00 N ATOM 1419 CA ALA A 93 9.524 1.687 -3.360 1.00 0.00 C ATOM 1420 C ALA A 93 9.905 2.764 -4.378 1.00 0.00 C ATOM 1421 O ALA A 93 9.553 2.665 -5.552 1.00 0.00 O ATOM 1422 CB ALA A 93 10.684 0.737 -3.054 1.00 0.00 C ATOM 0 H ALA A 93 8.641 0.182 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 93 9.261 2.191 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.531 1.308 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.371 0.010 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.977 0.215 -3.965 1.00 0.00 H new ATOM 1428 N MET A 94 10.620 3.767 -3.890 1.00 0.00 N ATOM 1429 CA MET A 94 11.053 4.861 -4.743 1.00 0.00 C ATOM 1430 C MET A 94 12.534 5.176 -4.522 1.00 0.00 C ATOM 1431 O MET A 94 12.982 5.302 -3.383 1.00 0.00 O ATOM 1432 CB MET A 94 10.215 6.106 -4.441 1.00 0.00 C ATOM 1433 CG MET A 94 8.755 5.896 -4.847 1.00 0.00 C ATOM 1434 SD MET A 94 7.874 7.447 -4.782 1.00 0.00 S ATOM 1435 CE MET A 94 7.906 7.748 -3.023 1.00 0.00 C ATOM 0 H MET A 94 10.910 3.845 -2.915 1.00 0.00 H new ATOM 0 HA MET A 94 10.916 4.563 -5.782 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.271 6.337 -3.377 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.625 6.963 -4.975 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.705 5.482 -5.854 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.284 5.173 -4.181 1.00 0.00 H new ATOM 0 HE1 MET A 94 8.050 8.813 -2.839 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.962 7.428 -2.582 1.00 0.00 H new ATOM 0 HE3 MET A 94 8.725 7.188 -2.573 1.00 0.00 H new ATOM 1445 N THR A 95 13.252 5.294 -5.629 1.00 0.00 N ATOM 1446 CA THR A 95 14.673 5.592 -5.570 1.00 0.00 C ATOM 1447 C THR A 95 14.980 6.881 -6.334 1.00 0.00 C ATOM 1448 O THR A 95 14.074 7.653 -6.645 1.00 0.00 O ATOM 1449 CB THR A 95 15.434 4.375 -6.101 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.683 3.967 -7.241 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.355 3.176 -5.154 1.00 0.00 C ATOM 0 H THR A 95 12.877 5.189 -6.572 1.00 0.00 H new ATOM 0 HA THR A 95 14.996 5.774 -4.545 1.00 0.00 H new ATOM 0 HB THR A 95 16.479 4.642 -6.262 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.296 3.701 -7.958 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.911 2.340 -5.578 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.785 3.445 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.313 2.887 -5.019 1.00 0.00 H new ATOM 1459 N SER A 96 16.260 7.074 -6.616 1.00 0.00 N ATOM 1460 CA SER A 96 16.698 8.256 -7.338 1.00 0.00 C ATOM 1461 C SER A 96 16.230 8.184 -8.793 1.00 0.00 C ATOM 1462 O SER A 96 16.333 9.162 -9.531 1.00 0.00 O ATOM 1463 CB SER A 96 18.219 8.408 -7.277 1.00 0.00 C ATOM 1464 OG SER A 96 18.670 8.745 -5.968 1.00 0.00 O ATOM 0 H SER A 96 17.008 6.431 -6.357 1.00 0.00 H new ATOM 0 HA SER A 96 16.254 9.130 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.689 7.477 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.535 9.180 -7.979 1.00 0.00 H new ATOM 0 HG SER A 96 19.646 8.831 -5.970 1.00 0.00 H new ATOM 1470 N LYS A 97 15.724 7.016 -9.161 1.00 0.00 N ATOM 1471 CA LYS A 97 15.240 6.803 -10.514 1.00 0.00 C ATOM 1472 C LYS A 97 13.749 7.140 -10.577 1.00 0.00 C ATOM 1473 O LYS A 97 13.326 7.952 -11.399 1.00 0.00 O ATOM 1474 CB LYS A 97 15.570 5.385 -10.985 1.00 0.00 C ATOM 1475 CG LYS A 97 17.063 5.242 -11.288 1.00 0.00 C ATOM 1476 CD LYS A 97 17.349 5.500 -12.769 1.00 0.00 C ATOM 1477 CE LYS A 97 16.903 6.906 -13.176 1.00 0.00 C ATOM 1478 NZ LYS A 97 17.361 7.218 -14.549 1.00 0.00 N ATOM 0 H LYS A 97 15.639 6.207 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 97 15.748 7.471 -11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.280 4.667 -10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.990 5.150 -11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.631 5.944 -10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.398 4.241 -11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.415 5.382 -12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.830 4.759 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.817 6.979 -13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.306 7.639 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.050 8.176 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.399 7.168 -14.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.956 6.529 -15.215 1.00 0.00 H new ATOM 1492 N GLY A 98 12.993 6.500 -9.697 1.00 0.00 N ATOM 1493 CA GLY A 98 11.558 6.722 -9.641 1.00 0.00 C ATOM 1494 C GLY A 98 10.882 5.711 -8.713 1.00 0.00 C ATOM 1495 O GLY A 98 11.034 5.785 -7.494 1.00 0.00 O ATOM 0 H GLY A 98 13.347 5.828 -9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.357 7.734 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.135 6.641 -10.642 1.00 0.00 H new ATOM 1499 N GLN A 99 10.151 4.791 -9.324 1.00 0.00 N ATOM 1500 CA GLN A 99 9.452 3.766 -8.567 1.00 0.00 C ATOM 1501 C GLN A 99 9.748 2.382 -9.148 1.00 0.00 C ATOM 1502 O GLN A 99 9.808 2.216 -10.365 1.00 0.00 O ATOM 1503 CB GLN A 99 7.946 4.038 -8.538 1.00 0.00 C ATOM 1504 CG GLN A 99 7.211 2.965 -7.732 1.00 0.00 C ATOM 1505 CD GLN A 99 5.843 2.661 -8.344 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.848 3.378 -7.831 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 5.700 1.829 -9.226 1.00 0.00 N flip ATOM 0 H GLN A 99 10.027 4.734 -10.335 1.00 0.00 H new ATOM 0 HA GLN A 99 9.813 3.791 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.758 5.019 -8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.558 4.063 -9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.810 2.055 -7.701 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.086 3.300 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.507 1.313 -9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.773 1.650 -9.613 1.00 0.00 H new ATOM 1516 N GLY A 100 9.924 1.424 -8.250 1.00 0.00 N ATOM 1517 CA GLY A 100 10.213 0.060 -8.658 1.00 0.00 C ATOM 1518 C GLY A 100 8.975 -0.828 -8.515 1.00 0.00 C ATOM 1519 O GLY A 100 7.849 -0.334 -8.511 1.00 0.00 O ATOM 0 H GLY A 100 9.872 1.566 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.554 0.051 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.025 -0.341 -8.051 1.00 0.00 H new ATOM 1523 N GLN A 101 9.226 -2.124 -8.400 1.00 0.00 N ATOM 1524 CA GLN A 101 8.147 -3.086 -8.257 1.00 0.00 C ATOM 1525 C GLN A 101 7.129 -2.592 -7.226 1.00 0.00 C ATOM 1526 O GLN A 101 7.397 -1.644 -6.490 1.00 0.00 O ATOM 1527 CB GLN A 101 8.688 -4.465 -7.875 1.00 0.00 C ATOM 1528 CG GLN A 101 8.085 -5.556 -8.763 1.00 0.00 C ATOM 1529 CD GLN A 101 9.175 -6.473 -9.321 1.00 0.00 C ATOM 1530 OE1 GLN A 101 10.215 -6.034 -9.784 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.879 -7.768 -9.253 1.00 0.00 N ATOM 0 H GLN A 101 10.162 -2.530 -8.403 1.00 0.00 H new ATOM 0 HA GLN A 101 7.644 -3.183 -9.219 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.774 -4.473 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.458 -4.673 -6.830 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.369 -6.144 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.534 -5.098 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.990 -8.068 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.541 -8.461 -9.601 1.00 0.00 H new ATOM 1540 N VAL A 102 5.983 -3.257 -7.208 1.00 0.00 N ATOM 1541 CA VAL A 102 4.924 -2.897 -6.280 1.00 0.00 C ATOM 1542 C VAL A 102 4.319 -4.171 -5.686 1.00 0.00 C ATOM 1543 O VAL A 102 4.098 -5.149 -6.398 1.00 0.00 O ATOM 1544 CB VAL A 102 3.890 -2.015 -6.983 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.710 -2.849 -7.487 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.413 -0.891 -6.062 1.00 0.00 C ATOM 0 H VAL A 102 5.765 -4.043 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 102 5.323 -2.310 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 102 4.371 -1.558 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.990 -2.198 -7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.069 -3.597 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.230 -3.346 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.679 -0.279 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.957 -1.320 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.262 -0.272 -5.774 1.00 0.00 H new ATOM 1556 N SER A 103 4.068 -4.117 -4.386 1.00 0.00 N ATOM 1557 CA SER A 103 3.492 -5.254 -3.687 1.00 0.00 C ATOM 1558 C SER A 103 2.015 -4.992 -3.390 1.00 0.00 C ATOM 1559 O SER A 103 1.686 -4.193 -2.513 1.00 0.00 O ATOM 1560 CB SER A 103 4.251 -5.546 -2.391 1.00 0.00 C ATOM 1561 OG SER A 103 5.375 -6.394 -2.610 1.00 0.00 O ATOM 0 H SER A 103 4.253 -3.304 -3.798 1.00 0.00 H new ATOM 0 HA SER A 103 3.576 -6.130 -4.331 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.585 -4.608 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.577 -6.015 -1.674 1.00 0.00 H new ATOM 0 HG SER A 103 5.834 -6.555 -1.759 1.00 0.00 H new ATOM 1567 N ALA A 104 1.162 -5.679 -4.136 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.273 -5.530 -3.962 1.00 0.00 C ATOM 1569 C ALA A 104 -0.834 -6.786 -3.292 1.00 0.00 C ATOM 1570 O ALA A 104 -0.654 -7.895 -3.794 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.925 -5.252 -5.318 1.00 0.00 C ATOM 0 H ALA A 104 1.437 -6.340 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.495 -4.683 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.001 -5.140 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.513 -4.335 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.726 -6.083 -5.995 1.00 0.00 H new ATOM 1577 N SER A 105 -1.502 -6.570 -2.169 1.00 0.00 N ATOM 1578 CA SER A 105 -2.091 -7.671 -1.425 1.00 0.00 C ATOM 1579 C SER A 105 -3.561 -7.373 -1.126 1.00 0.00 C ATOM 1580 O SER A 105 -3.903 -6.265 -0.715 1.00 0.00 O ATOM 1581 CB SER A 105 -1.326 -7.928 -0.125 1.00 0.00 C ATOM 1582 OG SER A 105 -0.542 -9.116 -0.192 1.00 0.00 O ATOM 0 H SER A 105 -1.649 -5.649 -1.756 1.00 0.00 H new ATOM 0 HA SER A 105 -2.027 -8.571 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.678 -7.078 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.032 -8.006 0.702 1.00 0.00 H new ATOM 0 HG SER A 105 -0.068 -9.243 0.656 1.00 0.00 H new ATOM 1588 N THR A 106 -4.392 -8.382 -1.343 1.00 0.00 N ATOM 1589 CA THR A 106 -5.818 -8.242 -1.102 1.00 0.00 C ATOM 1590 C THR A 106 -6.116 -8.321 0.396 1.00 0.00 C ATOM 1591 O THR A 106 -5.509 -9.117 1.112 1.00 0.00 O ATOM 1592 CB THR A 106 -6.544 -9.309 -1.924 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.835 -9.338 -3.160 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.960 -8.885 -2.316 1.00 0.00 C ATOM 0 H THR A 106 -4.105 -9.300 -1.683 1.00 0.00 H new ATOM 0 HA THR A 106 -6.179 -7.264 -1.422 1.00 0.00 H new ATOM 0 HB THR A 106 -6.589 -10.237 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.771 -8.430 -3.522 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.429 -9.678 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.546 -8.699 -1.416 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.915 -7.975 -2.914 1.00 0.00 H new ATOM 1602 N ILE A 107 -7.050 -7.486 0.827 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.436 -7.452 2.227 1.00 0.00 C ATOM 1604 C ILE A 107 -8.892 -6.996 2.340 1.00 0.00 C ATOM 1605 O ILE A 107 -9.285 -6.004 1.727 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.459 -6.593 3.031 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.965 -6.376 4.459 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.176 -5.270 2.317 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.843 -7.659 5.284 1.00 0.00 C ATOM 0 H ILE A 107 -7.551 -6.827 0.231 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.380 -8.450 2.662 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.513 -7.130 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.394 -5.578 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.006 -6.052 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.479 -4.678 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.741 -5.471 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.107 -4.717 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.209 -7.478 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.435 -8.448 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.798 -7.966 5.326 1.00 0.00 H new ATOM 1621 N SER A 108 -9.653 -7.741 3.127 1.00 0.00 N ATOM 1622 CA SER A 108 -11.057 -7.426 3.328 1.00 0.00 C ATOM 1623 C SER A 108 -11.242 -6.676 4.649 1.00 0.00 C ATOM 1624 O SER A 108 -10.908 -7.195 5.713 1.00 0.00 O ATOM 1625 CB SER A 108 -11.914 -8.693 3.313 1.00 0.00 C ATOM 1626 OG SER A 108 -13.142 -8.516 4.015 1.00 0.00 O ATOM 0 H SER A 108 -9.324 -8.563 3.634 1.00 0.00 H new ATOM 0 HA SER A 108 -11.385 -6.789 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.124 -8.976 2.282 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.355 -9.514 3.762 1.00 0.00 H new ATOM 0 HG SER A 108 -13.661 -9.347 3.981 1.00 0.00 H new ATOM 1632 N SER A 109 -11.772 -5.467 4.537 1.00 0.00 N ATOM 1633 CA SER A 109 -12.004 -4.640 5.709 1.00 0.00 C ATOM 1634 C SER A 109 -12.473 -5.509 6.877 1.00 0.00 C ATOM 1635 O SER A 109 -13.086 -6.556 6.671 1.00 0.00 O ATOM 1636 CB SER A 109 -13.032 -3.545 5.416 1.00 0.00 C ATOM 1637 OG SER A 109 -14.265 -4.083 4.946 1.00 0.00 O ATOM 0 H SER A 109 -12.047 -5.040 3.653 1.00 0.00 H new ATOM 0 HA SER A 109 -11.065 -4.156 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.211 -2.964 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.629 -2.859 4.672 1.00 0.00 H new ATOM 0 HG SER A 109 -14.647 -3.484 4.271 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.168 -5.044 8.080 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.551 -5.766 9.281 1.00 0.00 C ATOM 1645 C GLY A 110 -14.073 -5.855 9.405 1.00 0.00 C ATOM 1646 O GLY A 110 -14.694 -6.753 8.837 1.00 0.00 O ATOM 0 H GLY A 110 -11.660 -4.176 8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.125 -6.769 9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.140 -5.265 10.157 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.631 -4.913 10.152 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.068 -4.875 10.358 1.00 0.00 C ATOM 1652 C VAL A 111 -16.432 -3.617 11.149 1.00 0.00 C ATOM 1653 O VAL A 111 -15.697 -3.209 12.046 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.534 -6.164 11.037 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.795 -6.386 12.358 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.049 -6.154 11.252 1.00 0.00 C ATOM 0 H VAL A 111 -14.113 -4.170 10.622 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.589 -4.821 9.402 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.295 -6.996 10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.145 -7.309 12.820 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.724 -6.459 12.168 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.988 -5.549 13.028 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.354 -7.082 11.736 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.321 -5.308 11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.553 -6.065 10.289 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.597 -3.021 10.777 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.068 -1.818 11.442 1.00 0.00 C ATOM 1668 C PRO A 112 -18.635 -2.142 12.826 1.00 0.00 C ATOM 1669 O PRO A 112 -19.513 -2.993 12.957 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.104 -1.227 10.499 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.511 -2.357 9.567 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.494 -3.476 9.718 1.00 0.00 C ATOM 0 HA PRO A 112 -17.268 -1.103 11.633 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.964 -0.847 11.051 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.689 -0.389 9.939 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.511 -2.714 9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.543 -2.008 8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.976 -4.416 9.985 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.953 -3.648 8.787 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.095 -1.428 13.849 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.537 -1.631 15.218 1.00 0.00 C ATOM 1682 C PRO A 113 -19.909 -0.994 15.451 1.00 0.00 C ATOM 1683 O PRO A 113 -20.553 -1.253 16.467 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.445 -1.019 16.080 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.663 -0.090 15.165 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.053 -0.412 13.731 1.00 0.00 C ATOM 0 HA PRO A 113 -18.676 -2.684 15.463 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.872 -0.471 16.920 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.799 -1.791 16.498 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.886 0.951 15.397 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.591 -0.226 15.309 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.420 0.473 13.212 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.200 -0.784 13.163 1.00 0.00 H new