USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 789 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 80 ASN : amide:sc= -0.825 K(o=-1.1,f=-1.7!) USER MOD Set 1.2: A 96 MET CE :methyl -149:sc= -0.267 (180deg=-1.39) USER MOD Single : A 19 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.31) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0.0728 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -127:sc= -0.0105 (180deg=-0.854) USER MOD Single : A 60 MET CE :methyl 175:sc= -1.59 (180deg=-1.8) USER MOD Single : A 61 HIS : no HD1:sc= -0.406 X(o=-0.41,f=0.086) USER MOD Single : A 62 ASN : amide:sc= -2.07 K(o=-2.1,f=-3.8!) USER MOD Single : A 63 TYR OH : rot 30:sc= -1.35 USER MOD Single : A 67 ASN : amide:sc= -0.0184 K(o=-0.018,f=-3.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.41) USER MOD Single : A 71 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.3!) USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= -0.215 (180deg=-2.01!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.83 K(o=0.83,f=-1.1) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0647) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.9!) USER MOD Single : A 102 CYS SG : rot -9:sc= 0.408 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 7.886 15.039 1.157 1.00 0.00 N ATOM 221 CA GLN A 19 8.775 13.997 1.658 1.00 0.00 C ATOM 222 C GLN A 19 8.187 12.612 1.403 1.00 0.00 C ATOM 223 O GLN A 19 8.890 11.699 0.968 1.00 0.00 O ATOM 224 CB GLN A 19 9.028 14.189 3.154 1.00 0.00 C ATOM 225 CG GLN A 19 9.888 15.401 3.475 1.00 0.00 C ATOM 226 CD GLN A 19 11.120 15.491 2.597 1.00 0.00 C ATOM 227 OE1 GLN A 19 11.298 16.457 1.855 1.00 0.00 O ATOM 228 NE2 GLN A 19 11.980 14.482 2.678 1.00 0.00 N ATOM 0 HA GLN A 19 9.722 14.074 1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.071 14.287 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.511 13.296 3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.293 16.306 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.194 15.358 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.792 13.701 3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.828 14.488 2.111 1.00 0.00 H new ATOM 237 N LEU A 20 6.896 12.463 1.677 1.00 0.00 N ATOM 238 CA LEU A 20 6.214 11.190 1.478 1.00 0.00 C ATOM 239 C LEU A 20 6.104 10.857 -0.007 1.00 0.00 C ATOM 240 O LEU A 20 6.340 9.721 -0.418 1.00 0.00 O ATOM 241 CB LEU A 20 4.820 11.231 2.108 1.00 0.00 C ATOM 242 CG LEU A 20 3.842 10.151 1.644 1.00 0.00 C ATOM 243 CD1 LEU A 20 4.025 8.880 2.459 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.408 10.651 1.747 1.00 0.00 C ATOM 0 H LEU A 20 6.300 13.208 2.038 1.00 0.00 H new ATOM 0 HA LEU A 20 6.802 10.411 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.930 11.153 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.378 12.206 1.902 1.00 0.00 H new ATOM 0 HG LEU A 20 4.052 9.922 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.321 8.123 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.043 8.512 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.842 9.094 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.725 9.870 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.186 10.908 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.284 11.534 1.119 1.00 0.00 H new ATOM 256 N TYR A 21 5.746 11.856 -0.806 1.00 0.00 N ATOM 257 CA TYR A 21 5.604 11.669 -2.245 1.00 0.00 C ATOM 258 C TYR A 21 6.922 11.217 -2.868 1.00 0.00 C ATOM 259 O TYR A 21 6.952 10.298 -3.688 1.00 0.00 O ATOM 260 CB TYR A 21 5.134 12.967 -2.905 1.00 0.00 C ATOM 261 CG TYR A 21 3.685 13.296 -2.628 1.00 0.00 C ATOM 262 CD1 TYR A 21 2.700 12.321 -2.721 1.00 0.00 C ATOM 263 CD2 TYR A 21 3.300 14.583 -2.272 1.00 0.00 C ATOM 264 CE1 TYR A 21 1.374 12.617 -2.469 1.00 0.00 C ATOM 265 CE2 TYR A 21 1.977 14.889 -2.018 1.00 0.00 C ATOM 266 CZ TYR A 21 1.018 13.903 -2.118 1.00 0.00 C ATOM 267 OH TYR A 21 -0.301 14.202 -1.865 1.00 0.00 O ATOM 0 H TYR A 21 5.549 12.803 -0.482 1.00 0.00 H new ATOM 0 HA TYR A 21 4.858 10.892 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.758 13.789 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.281 12.891 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.976 11.313 -2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.048 15.358 -2.193 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.621 11.847 -2.546 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.695 15.895 -1.743 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.382 15.150 -1.630 1.00 0.00 H new ATOM 277 N LEU A 22 8.009 11.870 -2.473 1.00 0.00 N ATOM 278 CA LEU A 22 9.332 11.536 -2.991 1.00 0.00 C ATOM 279 C LEU A 22 9.690 10.088 -2.676 1.00 0.00 C ATOM 280 O LEU A 22 10.292 9.394 -3.496 1.00 0.00 O ATOM 281 CB LEU A 22 10.385 12.475 -2.399 1.00 0.00 C ATOM 282 CG LEU A 22 10.163 13.968 -2.639 1.00 0.00 C ATOM 283 CD1 LEU A 22 10.977 14.794 -1.655 1.00 0.00 C ATOM 284 CD2 LEU A 22 10.521 14.338 -4.071 1.00 0.00 C ATOM 0 H LEU A 22 8.001 12.633 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 22 9.313 11.658 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.432 12.303 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.358 12.202 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 22 9.107 14.188 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.806 15.854 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.673 14.551 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.036 14.570 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.357 15.405 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.569 14.102 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.894 13.772 -4.760 1.00 0.00 H new ATOM 296 N TRP A 23 9.316 9.637 -1.484 1.00 0.00 N ATOM 297 CA TRP A 23 9.597 8.270 -1.061 1.00 0.00 C ATOM 298 C TRP A 23 9.036 7.265 -2.061 1.00 0.00 C ATOM 299 O TRP A 23 9.621 6.205 -2.286 1.00 0.00 O ATOM 300 CB TRP A 23 9.006 8.011 0.326 1.00 0.00 C ATOM 301 CG TRP A 23 8.774 6.559 0.612 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.727 5.604 0.828 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.509 5.895 0.710 1.00 0.00 C ATOM 304 NE1 TRP A 23 9.130 4.387 1.055 1.00 0.00 N ATOM 305 CE2 TRP A 23 7.770 4.539 0.989 1.00 0.00 C ATOM 306 CE3 TRP A 23 6.181 6.315 0.593 1.00 0.00 C ATOM 307 CZ2 TRP A 23 6.752 3.603 1.150 1.00 0.00 C ATOM 308 CZ3 TRP A 23 5.172 5.385 0.753 1.00 0.00 C ATOM 309 CH2 TRP A 23 5.462 4.042 1.030 1.00 0.00 C ATOM 0 H TRP A 23 8.817 10.198 -0.793 1.00 0.00 H new ATOM 0 HA TRP A 23 10.679 8.146 -1.016 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.678 8.420 1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 23 8.061 8.547 0.416 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.793 5.780 0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.620 3.512 1.242 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.948 7.348 0.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.973 2.567 1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 4.142 5.698 0.663 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.651 3.340 1.151 1.00 0.00 H new ATOM 320 N VAL A 24 7.899 7.604 -2.661 1.00 0.00 N ATOM 321 CA VAL A 24 7.261 6.731 -3.639 1.00 0.00 C ATOM 322 C VAL A 24 7.861 6.929 -5.026 1.00 0.00 C ATOM 323 O VAL A 24 8.224 5.964 -5.700 1.00 0.00 O ATOM 324 CB VAL A 24 5.742 6.982 -3.707 1.00 0.00 C ATOM 325 CG1 VAL A 24 5.115 6.156 -4.820 1.00 0.00 C ATOM 326 CG2 VAL A 24 5.090 6.671 -2.369 1.00 0.00 C ATOM 0 H VAL A 24 7.401 8.477 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 24 7.438 5.706 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 24 5.575 8.036 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.042 6.346 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.562 6.433 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.291 5.097 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.018 6.854 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.265 5.626 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.520 7.310 -1.598 1.00 0.00 H new ATOM 336 N ASP A 25 7.963 8.185 -5.447 1.00 0.00 N ATOM 337 CA ASP A 25 8.521 8.510 -6.754 1.00 0.00 C ATOM 338 C ASP A 25 9.650 7.550 -7.117 1.00 0.00 C ATOM 339 O ASP A 25 9.685 7.007 -8.220 1.00 0.00 O ATOM 340 CB ASP A 25 9.034 9.950 -6.769 1.00 0.00 C ATOM 341 CG ASP A 25 9.718 10.308 -8.075 1.00 0.00 C ATOM 342 OD1 ASP A 25 10.868 9.867 -8.283 1.00 0.00 O ATOM 343 OD2 ASP A 25 9.102 11.027 -8.889 1.00 0.00 O ATOM 0 H ASP A 25 7.666 8.995 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 25 7.729 8.407 -7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.200 10.631 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.733 10.092 -5.945 1.00 0.00 H new ATOM 348 N ASN A 26 10.571 7.348 -6.181 1.00 0.00 N ATOM 349 CA ASN A 26 11.703 6.455 -6.403 1.00 0.00 C ATOM 350 C ASN A 26 11.241 5.127 -6.994 1.00 0.00 C ATOM 351 O ASN A 26 11.786 4.657 -7.993 1.00 0.00 O ATOM 352 CB ASN A 26 12.451 6.210 -5.091 1.00 0.00 C ATOM 353 CG ASN A 26 13.434 5.060 -5.192 1.00 0.00 C ATOM 354 OD1 ASN A 26 14.423 5.137 -5.922 1.00 0.00 O ATOM 355 ND2 ASN A 26 13.167 3.986 -4.458 1.00 0.00 N ATOM 0 H ASN A 26 10.556 7.790 -5.262 1.00 0.00 H new ATOM 0 HA ASN A 26 12.377 6.933 -7.114 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.985 7.117 -4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.732 6.001 -4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.793 3.181 -4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.336 3.966 -3.867 1.00 0.00 H new ATOM 362 N ILE A 27 10.232 4.527 -6.370 1.00 0.00 N ATOM 363 CA ILE A 27 9.696 3.255 -6.835 1.00 0.00 C ATOM 364 C ILE A 27 8.947 3.422 -8.153 1.00 0.00 C ATOM 365 O ILE A 27 7.964 4.156 -8.248 1.00 0.00 O ATOM 366 CB ILE A 27 8.747 2.630 -5.795 1.00 0.00 C ATOM 367 CG1 ILE A 27 9.507 2.311 -4.505 1.00 0.00 C ATOM 368 CG2 ILE A 27 8.097 1.375 -6.357 1.00 0.00 C ATOM 369 CD1 ILE A 27 8.643 2.368 -3.265 1.00 0.00 C ATOM 0 H ILE A 27 9.770 4.902 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 27 10.547 2.591 -6.985 1.00 0.00 H new ATOM 0 HB ILE A 27 7.962 3.350 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.945 1.316 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.332 3.015 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.429 0.945 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.526 1.630 -7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.869 0.649 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.247 2.131 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.226 3.369 -3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.832 1.645 -3.353 1.00 0.00 H new ATOM 577 N ASP A 39 -5.266 8.372 -8.425 1.00 0.00 N ATOM 578 CA ASP A 39 -4.321 7.276 -8.600 1.00 0.00 C ATOM 579 C ASP A 39 -4.237 6.424 -7.338 1.00 0.00 C ATOM 580 O ASP A 39 -4.397 5.204 -7.388 1.00 0.00 O ATOM 581 CB ASP A 39 -2.936 7.820 -8.955 1.00 0.00 C ATOM 582 CG ASP A 39 -1.999 6.737 -9.452 1.00 0.00 C ATOM 583 OD1 ASP A 39 -2.491 5.652 -9.827 1.00 0.00 O ATOM 584 OD2 ASP A 39 -0.773 6.975 -9.468 1.00 0.00 O ATOM 0 HA ASP A 39 -4.678 6.649 -9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.036 8.589 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.501 8.298 -8.078 1.00 0.00 H new ATOM 589 N PHE A 40 -3.985 7.074 -6.206 1.00 0.00 N ATOM 590 CA PHE A 40 -3.879 6.376 -4.931 1.00 0.00 C ATOM 591 C PHE A 40 -5.260 6.030 -4.383 1.00 0.00 C ATOM 592 O PHE A 40 -5.471 4.945 -3.841 1.00 0.00 O ATOM 593 CB PHE A 40 -3.116 7.233 -3.918 1.00 0.00 C ATOM 594 CG PHE A 40 -1.632 7.003 -3.936 1.00 0.00 C ATOM 595 CD1 PHE A 40 -0.898 7.219 -5.092 1.00 0.00 C ATOM 596 CD2 PHE A 40 -0.970 6.573 -2.798 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.467 7.008 -5.112 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.396 6.360 -2.812 1.00 0.00 C ATOM 599 CZ PHE A 40 1.116 6.580 -3.970 1.00 0.00 C ATOM 0 H PHE A 40 -3.850 8.083 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.331 5.449 -5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.315 8.285 -4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.496 7.024 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.399 7.556 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.527 6.402 -1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.027 7.178 -6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.900 6.022 -1.918 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.184 6.418 -3.983 1.00 0.00 H new ATOM 609 N SER A 41 -6.198 6.961 -4.527 1.00 0.00 N ATOM 610 CA SER A 41 -7.558 6.757 -4.043 1.00 0.00 C ATOM 611 C SER A 41 -7.982 5.301 -4.210 1.00 0.00 C ATOM 612 O SER A 41 -8.763 4.776 -3.416 1.00 0.00 O ATOM 613 CB SER A 41 -8.530 7.672 -4.791 1.00 0.00 C ATOM 614 OG SER A 41 -9.867 7.434 -4.387 1.00 0.00 O ATOM 0 H SER A 41 -6.041 7.864 -4.975 1.00 0.00 H new ATOM 0 HA SER A 41 -7.581 7.004 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.270 8.714 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.436 7.508 -5.864 1.00 0.00 H new ATOM 0 HG SER A 41 -10.468 8.032 -4.878 1.00 0.00 H new ATOM 620 N ASP A 42 -7.462 4.656 -5.248 1.00 0.00 N ATOM 621 CA ASP A 42 -7.784 3.260 -5.520 1.00 0.00 C ATOM 622 C ASP A 42 -6.759 2.330 -4.878 1.00 0.00 C ATOM 623 O ASP A 42 -5.677 2.113 -5.422 1.00 0.00 O ATOM 624 CB ASP A 42 -7.842 3.012 -7.028 1.00 0.00 C ATOM 625 CG ASP A 42 -6.662 3.619 -7.760 1.00 0.00 C ATOM 626 OD1 ASP A 42 -5.598 2.967 -7.814 1.00 0.00 O ATOM 627 OD2 ASP A 42 -6.802 4.746 -8.280 1.00 0.00 O ATOM 0 H ASP A 42 -6.816 5.077 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.761 3.048 -5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.869 1.939 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.767 3.429 -7.427 1.00 0.00 H new ATOM 632 N GLY A 43 -7.108 1.783 -3.718 1.00 0.00 N ATOM 633 CA GLY A 43 -6.207 0.884 -3.020 1.00 0.00 C ATOM 634 C GLY A 43 -5.389 0.031 -3.970 1.00 0.00 C ATOM 635 O GLY A 43 -4.228 -0.274 -3.699 1.00 0.00 O ATOM 0 H GLY A 43 -7.999 1.946 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.535 1.466 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.784 0.236 -2.360 1.00 0.00 H new ATOM 639 N VAL A 44 -5.997 -0.357 -5.087 1.00 0.00 N ATOM 640 CA VAL A 44 -5.319 -1.181 -6.080 1.00 0.00 C ATOM 641 C VAL A 44 -3.858 -0.770 -6.229 1.00 0.00 C ATOM 642 O VAL A 44 -2.952 -1.590 -6.069 1.00 0.00 O ATOM 643 CB VAL A 44 -6.009 -1.088 -7.453 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.239 -1.886 -8.494 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.449 -1.569 -7.359 1.00 0.00 C ATOM 0 H VAL A 44 -6.958 -0.114 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.370 -2.210 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.018 -0.044 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.742 -1.808 -9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.227 -1.491 -8.580 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.195 -2.932 -8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.922 -1.496 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.465 -2.606 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.994 -0.950 -6.647 1.00 0.00 H new ATOM 655 N LEU A 45 -3.635 0.503 -6.535 1.00 0.00 N ATOM 656 CA LEU A 45 -2.283 1.024 -6.706 1.00 0.00 C ATOM 657 C LEU A 45 -1.460 0.828 -5.437 1.00 0.00 C ATOM 658 O LEU A 45 -0.318 0.372 -5.489 1.00 0.00 O ATOM 659 CB LEU A 45 -2.330 2.508 -7.073 1.00 0.00 C ATOM 660 CG LEU A 45 -1.022 3.115 -7.582 1.00 0.00 C ATOM 661 CD1 LEU A 45 -0.659 2.538 -8.941 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.131 4.631 -7.655 1.00 0.00 C ATOM 0 H LEU A 45 -4.373 1.194 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.806 0.471 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.094 2.649 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.650 3.069 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.228 2.861 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.274 2.982 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.538 1.458 -8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.453 2.760 -9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.191 5.046 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.937 4.905 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.343 5.029 -6.663 1.00 0.00 H new ATOM 674 N VAL A 46 -2.050 1.174 -4.296 1.00 0.00 N ATOM 675 CA VAL A 46 -1.372 1.033 -3.013 1.00 0.00 C ATOM 676 C VAL A 46 -0.710 -0.334 -2.888 1.00 0.00 C ATOM 677 O VAL A 46 0.492 -0.433 -2.640 1.00 0.00 O ATOM 678 CB VAL A 46 -2.350 1.226 -1.838 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.632 1.043 -0.510 1.00 0.00 C ATOM 680 CG2 VAL A 46 -3.008 2.596 -1.913 1.00 0.00 C ATOM 0 H VAL A 46 -2.995 1.553 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.607 1.809 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.130 0.468 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.339 1.183 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.212 0.038 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.830 1.776 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.696 2.716 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.242 3.370 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.558 2.685 -2.850 1.00 0.00 H new ATOM 690 N ALA A 47 -1.501 -1.388 -3.062 1.00 0.00 N ATOM 691 CA ALA A 47 -0.991 -2.750 -2.972 1.00 0.00 C ATOM 692 C ALA A 47 0.299 -2.907 -3.769 1.00 0.00 C ATOM 693 O ALA A 47 1.268 -3.493 -3.289 1.00 0.00 O ATOM 694 CB ALA A 47 -2.039 -3.740 -3.459 1.00 0.00 C ATOM 0 H ALA A 47 -2.498 -1.324 -3.266 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.768 -2.959 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.644 -4.753 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.934 -3.654 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.290 -3.523 -4.497 1.00 0.00 H new ATOM 700 N GLU A 48 0.303 -2.380 -4.990 1.00 0.00 N ATOM 701 CA GLU A 48 1.475 -2.464 -5.853 1.00 0.00 C ATOM 702 C GLU A 48 2.740 -2.078 -5.093 1.00 0.00 C ATOM 703 O GLU A 48 3.722 -2.822 -5.080 1.00 0.00 O ATOM 704 CB GLU A 48 1.303 -1.556 -7.073 1.00 0.00 C ATOM 705 CG GLU A 48 0.039 -1.837 -7.868 1.00 0.00 C ATOM 706 CD GLU A 48 -0.151 -3.313 -8.159 1.00 0.00 C ATOM 707 OE1 GLU A 48 0.828 -3.968 -8.572 1.00 0.00 O ATOM 708 OE2 GLU A 48 -1.281 -3.812 -7.973 1.00 0.00 O ATOM 0 H GLU A 48 -0.491 -1.891 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 48 1.574 -3.497 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.291 -0.517 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.167 -1.673 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.824 -1.466 -7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.076 -1.287 -8.808 1.00 0.00 H new ATOM 715 N VAL A 49 2.711 -0.910 -4.460 1.00 0.00 N ATOM 716 CA VAL A 49 3.854 -0.424 -3.696 1.00 0.00 C ATOM 717 C VAL A 49 4.431 -1.524 -2.812 1.00 0.00 C ATOM 718 O VAL A 49 5.606 -1.873 -2.926 1.00 0.00 O ATOM 719 CB VAL A 49 3.470 0.779 -2.815 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.658 1.227 -1.977 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.950 1.923 -3.672 1.00 0.00 C ATOM 0 H VAL A 49 1.907 -0.282 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 49 4.607 -0.109 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 49 2.673 0.472 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.368 2.078 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.980 0.407 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.478 1.517 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.683 2.765 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.724 2.232 -4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.070 1.593 -4.224 1.00 0.00 H new ATOM 731 N ILE A 50 3.597 -2.067 -1.932 1.00 0.00 N ATOM 732 CA ILE A 50 4.024 -3.129 -1.029 1.00 0.00 C ATOM 733 C ILE A 50 4.875 -4.162 -1.760 1.00 0.00 C ATOM 734 O ILE A 50 5.895 -4.620 -1.244 1.00 0.00 O ATOM 735 CB ILE A 50 2.819 -3.837 -0.382 1.00 0.00 C ATOM 736 CG1 ILE A 50 1.971 -2.833 0.402 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.291 -4.963 0.525 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.538 -3.277 0.598 1.00 0.00 C ATOM 0 H ILE A 50 2.621 -1.789 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 50 4.620 -2.658 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 50 2.202 -4.267 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.428 -2.667 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.978 -1.877 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.428 -5.454 0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.857 -5.688 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.927 -4.555 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.004 -2.518 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.064 -3.416 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.521 -4.218 1.148 1.00 0.00 H new ATOM 750 N LYS A 51 4.450 -4.524 -2.965 1.00 0.00 N ATOM 751 CA LYS A 51 5.173 -5.502 -3.771 1.00 0.00 C ATOM 752 C LYS A 51 6.677 -5.260 -3.698 1.00 0.00 C ATOM 753 O LYS A 51 7.432 -6.117 -3.238 1.00 0.00 O ATOM 754 CB LYS A 51 4.705 -5.440 -5.227 1.00 0.00 C ATOM 755 CG LYS A 51 4.834 -6.762 -5.963 1.00 0.00 C ATOM 756 CD LYS A 51 6.284 -7.086 -6.278 1.00 0.00 C ATOM 757 CE LYS A 51 6.397 -8.080 -7.424 1.00 0.00 C ATOM 758 NZ LYS A 51 6.318 -7.408 -8.751 1.00 0.00 N ATOM 0 H LYS A 51 3.608 -4.155 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 51 4.962 -6.494 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.663 -5.120 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.284 -4.682 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.405 -7.560 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.260 -6.721 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.815 -6.170 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.767 -7.495 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.341 -8.619 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.600 -8.819 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.399 -8.119 -9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.407 -6.915 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.093 -6.720 -8.839 1.00 0.00 H new ATOM 772 N PHE A 52 7.106 -4.088 -4.154 1.00 0.00 N ATOM 773 CA PHE A 52 8.521 -3.734 -4.140 1.00 0.00 C ATOM 774 C PHE A 52 9.217 -4.321 -2.916 1.00 0.00 C ATOM 775 O PHE A 52 10.331 -4.837 -3.010 1.00 0.00 O ATOM 776 CB PHE A 52 8.687 -2.213 -4.155 1.00 0.00 C ATOM 777 CG PHE A 52 10.076 -1.766 -4.513 1.00 0.00 C ATOM 778 CD1 PHE A 52 11.137 -2.003 -3.655 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.320 -1.108 -5.708 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.416 -1.592 -3.981 1.00 0.00 C ATOM 781 CE2 PHE A 52 11.596 -0.694 -6.040 1.00 0.00 C ATOM 782 CZ PHE A 52 12.646 -0.938 -5.176 1.00 0.00 C ATOM 0 H PHE A 52 6.495 -3.367 -4.538 1.00 0.00 H new ATOM 0 HA PHE A 52 8.984 -4.152 -5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.981 -1.785 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.428 -1.817 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.963 -2.515 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.503 -0.916 -6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.234 -1.782 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.772 -0.180 -6.974 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.645 -0.618 -5.434 1.00 0.00 H new ATOM 792 N TYR A 53 8.552 -4.239 -1.769 1.00 0.00 N ATOM 793 CA TYR A 53 9.107 -4.760 -0.525 1.00 0.00 C ATOM 794 C TYR A 53 8.872 -6.263 -0.411 1.00 0.00 C ATOM 795 O TYR A 53 9.815 -7.040 -0.259 1.00 0.00 O ATOM 796 CB TYR A 53 8.485 -4.043 0.674 1.00 0.00 C ATOM 797 CG TYR A 53 8.942 -2.609 0.827 1.00 0.00 C ATOM 798 CD1 TYR A 53 8.466 -1.614 -0.018 1.00 0.00 C ATOM 799 CD2 TYR A 53 9.848 -2.250 1.817 1.00 0.00 C ATOM 800 CE1 TYR A 53 8.882 -0.304 0.117 1.00 0.00 C ATOM 801 CE2 TYR A 53 10.268 -0.942 1.960 1.00 0.00 C ATOM 802 CZ TYR A 53 9.782 0.028 1.108 1.00 0.00 C ATOM 803 OH TYR A 53 10.198 1.332 1.247 1.00 0.00 O ATOM 0 H TYR A 53 7.628 -3.817 -1.675 1.00 0.00 H new ATOM 0 HA TYR A 53 10.182 -4.578 -0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.400 -4.061 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.731 -4.593 1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.759 -1.869 -0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.230 -3.007 2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.504 0.457 -0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.973 -0.680 2.735 1.00 0.00 H new ATOM 0 HH TYR A 53 10.831 1.396 1.993 1.00 0.00 H new ATOM 813 N PHE A 54 7.608 -6.665 -0.485 1.00 0.00 N ATOM 814 CA PHE A 54 7.247 -8.075 -0.390 1.00 0.00 C ATOM 815 C PHE A 54 6.242 -8.453 -1.474 1.00 0.00 C ATOM 816 O PHE A 54 5.105 -7.982 -1.494 1.00 0.00 O ATOM 817 CB PHE A 54 6.665 -8.382 0.991 1.00 0.00 C ATOM 818 CG PHE A 54 7.487 -7.835 2.123 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.565 -8.548 2.622 1.00 0.00 C ATOM 820 CD2 PHE A 54 7.181 -6.607 2.688 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.323 -8.047 3.663 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.936 -6.101 3.729 1.00 0.00 C ATOM 823 CZ PHE A 54 9.008 -6.823 4.218 1.00 0.00 C ATOM 0 H PHE A 54 6.816 -6.035 -0.610 1.00 0.00 H new ATOM 0 HA PHE A 54 8.151 -8.667 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.658 -7.970 1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.575 -9.462 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.816 -9.507 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.343 -6.039 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.161 -8.613 4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.688 -5.142 4.160 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.598 -6.430 5.033 1.00 0.00 H new ATOM 833 N PRO A 55 6.670 -9.326 -2.399 1.00 0.00 N ATOM 834 CA PRO A 55 5.824 -9.788 -3.503 1.00 0.00 C ATOM 835 C PRO A 55 4.694 -10.695 -3.027 1.00 0.00 C ATOM 836 O PRO A 55 3.611 -10.714 -3.611 1.00 0.00 O ATOM 837 CB PRO A 55 6.796 -10.565 -4.394 1.00 0.00 C ATOM 838 CG PRO A 55 7.879 -11.010 -3.473 1.00 0.00 C ATOM 839 CD PRO A 55 8.013 -9.929 -2.437 1.00 0.00 C ATOM 0 HA PRO A 55 5.328 -8.961 -4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.305 -11.415 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.189 -9.937 -5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.630 -11.965 -3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.816 -11.152 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.299 -10.335 -1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.774 -9.199 -2.714 1.00 0.00 H new ATOM 847 N LYS A 56 4.954 -11.447 -1.963 1.00 0.00 N ATOM 848 CA LYS A 56 3.960 -12.357 -1.407 1.00 0.00 C ATOM 849 C LYS A 56 2.833 -11.583 -0.729 1.00 0.00 C ATOM 850 O LYS A 56 1.675 -11.674 -1.134 1.00 0.00 O ATOM 851 CB LYS A 56 4.614 -13.309 -0.403 1.00 0.00 C ATOM 852 CG LYS A 56 5.344 -14.471 -1.055 1.00 0.00 C ATOM 853 CD LYS A 56 6.048 -15.336 -0.023 1.00 0.00 C ATOM 854 CE LYS A 56 5.080 -16.290 0.660 1.00 0.00 C ATOM 855 NZ LYS A 56 4.836 -17.511 -0.156 1.00 0.00 N ATOM 0 H LYS A 56 5.846 -11.444 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 56 3.537 -12.938 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.317 -12.748 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.848 -13.701 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.635 -15.078 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.073 -14.089 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.842 -15.906 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.521 -14.699 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.479 -16.577 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.134 -15.779 0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.171 -18.135 0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.432 -17.239 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.734 -18.012 -0.308 1.00 0.00 H new ATOM 869 N MET A 57 3.182 -10.821 0.302 1.00 0.00 N ATOM 870 CA MET A 57 2.200 -10.030 1.034 1.00 0.00 C ATOM 871 C MET A 57 1.134 -9.479 0.091 1.00 0.00 C ATOM 872 O MET A 57 -0.048 -9.438 0.431 1.00 0.00 O ATOM 873 CB MET A 57 2.887 -8.879 1.771 1.00 0.00 C ATOM 874 CG MET A 57 3.959 -9.338 2.747 1.00 0.00 C ATOM 875 SD MET A 57 4.368 -8.079 3.972 1.00 0.00 S ATOM 876 CE MET A 57 2.929 -8.162 5.036 1.00 0.00 C ATOM 0 H MET A 57 4.137 -10.735 0.649 1.00 0.00 H new ATOM 0 HA MET A 57 1.716 -10.681 1.762 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.336 -8.207 1.040 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.135 -8.305 2.313 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.619 -10.239 3.257 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.859 -9.606 2.193 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.502 -7.165 5.149 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.187 -8.826 4.593 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.221 -8.545 6.014 1.00 0.00 H new ATOM 886 N VAL A 58 1.561 -9.057 -1.095 1.00 0.00 N ATOM 887 CA VAL A 58 0.643 -8.510 -2.087 1.00 0.00 C ATOM 888 C VAL A 58 -0.285 -9.591 -2.632 1.00 0.00 C ATOM 889 O VAL A 58 0.168 -10.573 -3.219 1.00 0.00 O ATOM 890 CB VAL A 58 1.404 -7.864 -3.260 1.00 0.00 C ATOM 891 CG1 VAL A 58 0.431 -7.357 -4.314 1.00 0.00 C ATOM 892 CG2 VAL A 58 2.295 -6.737 -2.759 1.00 0.00 C ATOM 0 H VAL A 58 2.536 -9.083 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 58 0.051 -7.746 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 58 2.038 -8.621 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.987 -6.904 -5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.161 -8.190 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.231 -6.613 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.826 -6.291 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.682 -5.978 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.016 -7.134 -2.044 1.00 0.00 H new ATOM 902 N GLU A 59 -1.586 -9.401 -2.434 1.00 0.00 N ATOM 903 CA GLU A 59 -2.577 -10.360 -2.906 1.00 0.00 C ATOM 904 C GLU A 59 -3.503 -9.723 -3.939 1.00 0.00 C ATOM 905 O GLU A 59 -4.716 -9.926 -3.909 1.00 0.00 O ATOM 906 CB GLU A 59 -3.399 -10.898 -1.732 1.00 0.00 C ATOM 907 CG GLU A 59 -3.913 -12.311 -1.946 1.00 0.00 C ATOM 908 CD GLU A 59 -2.845 -13.362 -1.713 1.00 0.00 C ATOM 909 OE1 GLU A 59 -2.055 -13.205 -0.759 1.00 0.00 O ATOM 910 OE2 GLU A 59 -2.800 -14.342 -2.486 1.00 0.00 O ATOM 0 H GLU A 59 -1.977 -8.593 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.047 -11.187 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.787 -10.876 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.246 -10.235 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.751 -12.495 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.294 -12.405 -2.963 1.00 0.00 H new ATOM 917 N MET A 60 -2.920 -8.951 -4.850 1.00 0.00 N ATOM 918 CA MET A 60 -3.692 -8.284 -5.893 1.00 0.00 C ATOM 919 C MET A 60 -4.514 -9.292 -6.689 1.00 0.00 C ATOM 920 O MET A 60 -5.659 -9.023 -7.054 1.00 0.00 O ATOM 921 CB MET A 60 -2.762 -7.512 -6.831 1.00 0.00 C ATOM 922 CG MET A 60 -3.425 -7.090 -8.132 1.00 0.00 C ATOM 923 SD MET A 60 -4.928 -6.129 -7.865 1.00 0.00 S ATOM 924 CE MET A 60 -4.381 -4.990 -6.596 1.00 0.00 C ATOM 0 H MET A 60 -1.917 -8.772 -4.888 1.00 0.00 H new ATOM 0 HA MET A 60 -4.375 -7.583 -5.413 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.394 -6.625 -6.316 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.894 -8.131 -7.059 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.721 -6.501 -8.720 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.665 -7.977 -8.718 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.173 -4.271 -6.387 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.145 -5.544 -5.687 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.492 -4.461 -6.940 1.00 0.00 H new ATOM 934 N HIS A 61 -3.924 -10.453 -6.955 1.00 0.00 N ATOM 935 CA HIS A 61 -4.603 -11.501 -7.709 1.00 0.00 C ATOM 936 C HIS A 61 -6.089 -11.540 -7.367 1.00 0.00 C ATOM 937 O HIS A 61 -6.925 -11.829 -8.222 1.00 0.00 O ATOM 938 CB HIS A 61 -3.965 -12.861 -7.419 1.00 0.00 C ATOM 939 CG HIS A 61 -4.205 -13.875 -8.494 1.00 0.00 C ATOM 940 ND1 HIS A 61 -3.412 -14.990 -8.667 1.00 0.00 N ATOM 941 CD2 HIS A 61 -5.158 -13.940 -9.454 1.00 0.00 C ATOM 942 CE1 HIS A 61 -3.866 -15.696 -9.688 1.00 0.00 C ATOM 943 NE2 HIS A 61 -4.925 -15.080 -10.183 1.00 0.00 N ATOM 0 H HIS A 61 -2.977 -10.692 -6.660 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.498 -11.277 -8.771 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.891 -12.729 -7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.356 -13.243 -6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.953 -13.228 -9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -3.443 -16.619 -10.055 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.479 -15.399 -10.977 1.00 0.00 H new ATOM 952 N ASN A 62 -6.411 -11.246 -6.111 1.00 0.00 N ATOM 953 CA ASN A 62 -7.796 -11.249 -5.656 1.00 0.00 C ATOM 954 C ASN A 62 -8.447 -9.888 -5.886 1.00 0.00 C ATOM 955 O ASN A 62 -9.515 -9.793 -6.491 1.00 0.00 O ATOM 956 CB ASN A 62 -7.867 -11.617 -4.173 1.00 0.00 C ATOM 957 CG ASN A 62 -6.935 -12.758 -3.815 1.00 0.00 C ATOM 958 OD1 ASN A 62 -6.375 -13.416 -4.692 1.00 0.00 O ATOM 959 ND2 ASN A 62 -6.764 -12.999 -2.520 1.00 0.00 N ATOM 0 H ASN A 62 -5.731 -11.003 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.341 -11.995 -6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.615 -10.743 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.890 -11.894 -3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.149 -13.755 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.248 -12.428 -1.827 1.00 0.00 H new ATOM 966 N TYR A 63 -7.795 -8.838 -5.399 1.00 0.00 N ATOM 967 CA TYR A 63 -8.311 -7.482 -5.549 1.00 0.00 C ATOM 968 C TYR A 63 -8.527 -7.141 -7.020 1.00 0.00 C ATOM 969 O TYR A 63 -7.974 -7.791 -7.908 1.00 0.00 O ATOM 970 CB TYR A 63 -7.348 -6.475 -4.917 1.00 0.00 C ATOM 971 CG TYR A 63 -7.194 -6.641 -3.422 1.00 0.00 C ATOM 972 CD1 TYR A 63 -8.178 -6.197 -2.549 1.00 0.00 C ATOM 973 CD2 TYR A 63 -6.063 -7.243 -2.883 1.00 0.00 C ATOM 974 CE1 TYR A 63 -8.041 -6.345 -1.182 1.00 0.00 C ATOM 975 CE2 TYR A 63 -5.918 -7.397 -1.518 1.00 0.00 C ATOM 976 CZ TYR A 63 -6.909 -6.946 -0.672 1.00 0.00 C ATOM 977 OH TYR A 63 -6.769 -7.098 0.689 1.00 0.00 O ATOM 0 H TYR A 63 -6.909 -8.899 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.272 -7.427 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.370 -6.575 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.701 -5.466 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.066 -5.728 -2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.284 -7.596 -3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.815 -5.992 -0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.033 -7.868 -1.116 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.653 -7.194 1.100 1.00 0.00 H new ATOM 987 N VAL A 64 -9.336 -6.117 -7.271 1.00 0.00 N ATOM 988 CA VAL A 64 -9.626 -5.687 -8.633 1.00 0.00 C ATOM 989 C VAL A 64 -9.978 -4.204 -8.679 1.00 0.00 C ATOM 990 O VAL A 64 -10.694 -3.684 -7.823 1.00 0.00 O ATOM 991 CB VAL A 64 -10.785 -6.497 -9.243 1.00 0.00 C ATOM 992 CG1 VAL A 64 -11.128 -5.978 -10.631 1.00 0.00 C ATOM 993 CG2 VAL A 64 -10.434 -7.977 -9.290 1.00 0.00 C ATOM 0 H VAL A 64 -9.803 -5.569 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.723 -5.861 -9.218 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.663 -6.375 -8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.949 -6.563 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.425 -4.931 -10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.256 -6.067 -11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.264 -8.534 -9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.542 -8.120 -9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.244 -8.338 -8.279 1.00 0.00 H new ATOM 1003 N PRO A 65 -9.463 -3.505 -9.701 1.00 0.00 N ATOM 1004 CA PRO A 65 -9.710 -2.072 -9.884 1.00 0.00 C ATOM 1005 C PRO A 65 -11.153 -1.778 -10.282 1.00 0.00 C ATOM 1006 O PRO A 65 -11.542 -1.977 -11.432 1.00 0.00 O ATOM 1007 CB PRO A 65 -8.755 -1.689 -11.017 1.00 0.00 C ATOM 1008 CG PRO A 65 -8.539 -2.954 -11.774 1.00 0.00 C ATOM 1009 CD PRO A 65 -8.601 -4.060 -10.758 1.00 0.00 C ATOM 0 HA PRO A 65 -9.549 -1.510 -8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.185 -0.916 -11.653 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.816 -1.295 -10.627 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.303 -3.085 -12.541 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.575 -2.945 -12.282 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.022 -4.972 -11.182 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.611 -4.312 -10.378 1.00 0.00 H new ATOM 1017 N ALA A 66 -11.941 -1.304 -9.322 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.340 -0.981 -9.573 1.00 0.00 C ATOM 1019 C ALA A 66 -13.512 0.499 -9.898 1.00 0.00 C ATOM 1020 O ALA A 66 -12.584 1.291 -9.738 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.193 -1.363 -8.373 1.00 0.00 C ATOM 0 H ALA A 66 -11.634 -1.135 -8.364 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.671 -1.556 -10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.235 -1.116 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.103 -2.433 -8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.853 -0.813 -7.495 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.705 0.866 -10.355 1.00 0.00 N ATOM 1028 CA ASN A 67 -14.997 2.251 -10.703 1.00 0.00 C ATOM 1029 C ASN A 67 -16.004 2.856 -9.729 1.00 0.00 C ATOM 1030 O ASN A 67 -15.905 4.028 -9.367 1.00 0.00 O ATOM 1031 CB ASN A 67 -15.538 2.337 -12.132 1.00 0.00 C ATOM 1032 CG ASN A 67 -14.461 2.104 -13.173 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -13.425 1.503 -12.887 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -14.700 2.580 -14.389 1.00 0.00 N ATOM 0 H ASN A 67 -15.485 0.223 -10.493 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.069 2.819 -10.638 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.331 1.600 -12.262 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.986 3.318 -12.290 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.011 2.454 -15.131 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.572 3.072 -14.582 1.00 0.00 H new ATOM 1041 N SER A 68 -16.971 2.048 -9.309 1.00 0.00 N ATOM 1042 CA SER A 68 -17.998 2.503 -8.379 1.00 0.00 C ATOM 1043 C SER A 68 -17.417 2.703 -6.983 1.00 0.00 C ATOM 1044 O SER A 68 -17.021 1.743 -6.319 1.00 0.00 O ATOM 1045 CB SER A 68 -19.150 1.498 -8.326 1.00 0.00 C ATOM 1046 OG SER A 68 -20.220 1.989 -7.536 1.00 0.00 O ATOM 0 H SER A 68 -17.065 1.074 -9.598 1.00 0.00 H new ATOM 0 HA SER A 68 -18.377 3.461 -8.736 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.504 1.293 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.794 0.553 -7.915 1.00 0.00 H new ATOM 0 HG SER A 68 -20.944 1.329 -7.520 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.369 3.955 -6.542 1.00 0.00 N ATOM 1053 CA LEU A 69 -16.836 4.282 -5.224 1.00 0.00 C ATOM 1054 C LEU A 69 -17.234 3.226 -4.198 1.00 0.00 C ATOM 1055 O LEU A 69 -16.446 2.871 -3.322 1.00 0.00 O ATOM 1056 CB LEU A 69 -17.335 5.658 -4.778 1.00 0.00 C ATOM 1057 CG LEU A 69 -17.006 6.057 -3.339 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -15.534 6.420 -3.210 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -17.884 7.216 -2.893 1.00 0.00 C ATOM 0 H LEU A 69 -17.693 4.760 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.748 4.302 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.915 6.409 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -18.417 5.688 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.208 5.205 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.318 6.701 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.922 5.562 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.306 7.257 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.636 7.486 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -17.714 8.073 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -18.932 6.921 -2.947 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.461 2.729 -4.315 1.00 0.00 N ATOM 1072 CA GLN A 70 -18.963 1.712 -3.397 1.00 0.00 C ATOM 1073 C GLN A 70 -18.009 0.525 -3.326 1.00 0.00 C ATOM 1074 O GLN A 70 -17.532 0.164 -2.250 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.351 1.241 -3.835 1.00 0.00 C ATOM 1076 CG GLN A 70 -21.408 2.332 -3.786 1.00 0.00 C ATOM 1077 CD GLN A 70 -21.439 3.055 -2.454 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -21.378 2.431 -1.394 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -21.534 4.379 -2.500 1.00 0.00 N ATOM 0 H GLN A 70 -19.125 3.013 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.034 2.157 -2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.289 0.852 -4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.664 0.415 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.218 3.052 -4.582 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -22.387 1.893 -3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -21.582 4.856 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -21.559 4.919 -1.635 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.735 -0.078 -4.478 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.839 -1.226 -4.545 1.00 0.00 C ATOM 1090 C GLN A 71 -15.476 -0.888 -3.949 1.00 0.00 C ATOM 1091 O GLN A 71 -14.939 -1.639 -3.134 1.00 0.00 O ATOM 1092 CB GLN A 71 -16.674 -1.688 -5.994 1.00 0.00 C ATOM 1093 CG GLN A 71 -15.731 -2.870 -6.153 1.00 0.00 C ATOM 1094 CD GLN A 71 -16.118 -4.046 -5.278 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -17.225 -4.098 -4.742 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -15.204 -4.998 -5.129 1.00 0.00 N ATOM 0 H GLN A 71 -18.121 0.209 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.281 -2.034 -3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.651 -1.958 -6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.303 -0.855 -6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.722 -3.185 -7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.717 -2.557 -5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.299 -4.913 -5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.407 -5.814 -4.551 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.921 0.247 -4.359 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.622 0.686 -3.866 1.00 0.00 C ATOM 1107 C LYS A 72 -13.442 0.312 -2.398 1.00 0.00 C ATOM 1108 O LYS A 72 -12.525 -0.430 -2.044 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.472 2.200 -4.039 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.803 2.687 -5.439 1.00 0.00 C ATOM 1111 CD LYS A 72 -12.980 1.962 -6.491 1.00 0.00 C ATOM 1112 CE LYS A 72 -11.522 2.394 -6.453 1.00 0.00 C ATOM 1113 NZ LYS A 72 -11.308 3.686 -7.162 1.00 0.00 N ATOM 0 H LYS A 72 -15.352 0.880 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.851 0.181 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.122 2.705 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.448 2.486 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.864 2.534 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.617 3.759 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.046 0.886 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.394 2.161 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.199 2.491 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.902 1.622 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.607 4.254 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.961 3.500 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.206 4.207 -7.212 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.324 0.828 -1.549 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.264 0.546 -0.118 1.00 0.00 C ATOM 1129 C LEU A 73 -14.133 -0.952 0.136 1.00 0.00 C ATOM 1130 O LEU A 73 -13.258 -1.391 0.882 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.512 1.088 0.581 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.428 2.530 1.082 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -16.756 2.964 1.683 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.307 2.677 2.099 1.00 0.00 C ATOM 0 H LEU A 73 -15.089 1.443 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.383 1.043 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.352 1.013 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.738 0.442 1.430 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.208 3.177 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.677 3.993 2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.537 2.898 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.007 2.313 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.262 3.710 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.496 2.019 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.358 2.408 1.636 1.00 0.00 H new ATOM 1146 N SER A 74 -15.009 -1.732 -0.490 1.00 0.00 N ATOM 1147 CA SER A 74 -14.993 -3.181 -0.330 1.00 0.00 C ATOM 1148 C SER A 74 -13.563 -3.713 -0.342 1.00 0.00 C ATOM 1149 O SER A 74 -13.186 -4.532 0.495 1.00 0.00 O ATOM 1150 CB SER A 74 -15.806 -3.847 -1.441 1.00 0.00 C ATOM 1151 OG SER A 74 -15.938 -5.240 -1.212 1.00 0.00 O ATOM 0 H SER A 74 -15.738 -1.384 -1.113 1.00 0.00 H new ATOM 0 HA SER A 74 -15.443 -3.420 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.794 -3.389 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.321 -3.678 -2.402 1.00 0.00 H new ATOM 0 HG SER A 74 -16.463 -5.642 -1.935 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.771 -3.241 -1.299 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.382 -3.669 -1.422 1.00 0.00 C ATOM 1159 C ASN A 75 -10.578 -3.268 -0.190 1.00 0.00 C ATOM 1160 O ASN A 75 -10.022 -4.118 0.505 1.00 0.00 O ATOM 1161 CB ASN A 75 -10.749 -3.064 -2.677 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.208 -3.755 -3.947 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.144 -4.554 -3.928 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -10.547 -3.451 -5.058 1.00 0.00 N ATOM 0 H ASN A 75 -13.067 -2.562 -2.001 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.369 -4.756 -1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.999 -2.005 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.664 -3.132 -2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.809 -3.886 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.777 -2.783 -5.027 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.521 -1.967 0.075 1.00 0.00 N ATOM 1172 CA TRP A 76 -9.786 -1.453 1.225 1.00 0.00 C ATOM 1173 C TRP A 76 -10.059 -2.294 2.467 1.00 0.00 C ATOM 1174 O TRP A 76 -9.139 -2.846 3.069 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.165 0.005 1.488 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.299 0.985 0.755 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.584 1.607 -0.427 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.007 1.455 1.156 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.547 2.434 -0.785 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.568 2.359 0.170 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.180 1.200 2.253 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.338 3.008 0.249 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -5.959 1.844 2.330 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.548 2.740 1.334 1.00 0.00 C ATOM 0 H TRP A 76 -10.975 -1.250 -0.491 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.721 -1.509 0.998 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.204 0.161 1.198 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.100 0.203 2.558 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.491 1.469 -0.997 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.512 3.010 -1.626 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.489 0.512 3.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.019 3.698 -0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.311 1.653 3.172 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.589 3.229 1.424 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.330 -2.388 2.845 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.701 -3.165 4.014 1.00 0.00 C ATOM 1197 C GLY A 77 -10.899 -4.445 4.137 1.00 0.00 C ATOM 1198 O GLY A 77 -10.235 -4.675 5.149 1.00 0.00 O ATOM 0 H GLY A 77 -12.109 -1.940 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.555 -2.561 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.762 -3.408 3.963 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.961 -5.282 3.107 1.00 0.00 N ATOM 1203 CA HIS A 78 -10.235 -6.548 3.105 1.00 0.00 C ATOM 1204 C HIS A 78 -8.754 -6.325 3.396 1.00 0.00 C ATOM 1205 O HIS A 78 -8.145 -7.065 4.170 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.402 -7.254 1.759 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.788 -7.771 1.522 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -12.529 -7.452 0.404 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.566 -8.592 2.266 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -13.704 -8.053 0.472 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -13.751 -8.751 1.592 1.00 0.00 N ATOM 0 H HIS A 78 -11.506 -5.107 2.263 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.651 -7.178 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.140 -6.561 0.960 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.699 -8.085 1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.303 -9.039 3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -14.492 -7.985 -0.263 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -14.540 -9.317 1.905 1.00 0.00 H new ATOM 1220 N LEU A 79 -8.181 -5.303 2.771 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.770 -4.983 2.962 1.00 0.00 C ATOM 1222 C LEU A 79 -6.445 -4.819 4.443 1.00 0.00 C ATOM 1223 O LEU A 79 -5.305 -5.011 4.863 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.410 -3.704 2.204 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.955 -3.580 1.751 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.750 -4.274 0.414 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.547 -2.116 1.662 1.00 0.00 C ATOM 0 H LEU A 79 -8.671 -4.681 2.128 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.178 -5.810 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.051 -3.634 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.646 -2.850 2.839 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.322 -4.069 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.708 -4.175 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.001 -5.330 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.394 -3.815 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.509 -2.047 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.186 -1.603 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.654 -1.648 2.641 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.456 -4.465 5.230 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.277 -4.277 6.665 1.00 0.00 C ATOM 1241 C ASN A 80 -6.988 -5.606 7.356 1.00 0.00 C ATOM 1242 O ASN A 80 -6.193 -5.669 8.293 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.524 -3.633 7.275 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.361 -3.345 8.755 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.313 -3.618 9.340 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -9.401 -2.791 9.368 1.00 0.00 N ATOM 0 H ASN A 80 -8.407 -4.303 4.898 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.423 -3.616 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.744 -2.704 6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.379 -4.293 7.128 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.350 -2.575 10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.250 -2.582 8.843 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.639 -6.665 6.886 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.452 -7.993 7.459 1.00 0.00 C ATOM 1255 C ARG A 81 -6.712 -8.905 6.485 1.00 0.00 C ATOM 1256 O ARG A 81 -6.478 -10.079 6.774 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.804 -8.608 7.825 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.649 -7.728 8.732 1.00 0.00 C ATOM 1259 CD ARG A 81 -9.134 -7.748 10.163 1.00 0.00 C ATOM 1260 NE ARG A 81 -9.516 -8.971 10.865 1.00 0.00 N ATOM 1261 CZ ARG A 81 -9.056 -9.302 12.066 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -8.203 -8.507 12.696 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -9.450 -10.432 12.640 1.00 0.00 N ATOM 0 H ARG A 81 -8.300 -6.629 6.110 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.851 -7.891 8.362 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.360 -8.812 6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.636 -9.566 8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.644 -6.705 8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.684 -8.070 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.048 -7.657 10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.524 -6.884 10.701 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.171 -9.605 10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.898 -7.638 12.258 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.852 -8.765 13.618 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.106 -11.047 12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.096 -10.686 13.562 1.00 0.00 H new ATOM 1277 N LYS A 82 -6.347 -8.359 5.331 1.00 0.00 N ATOM 1278 CA LYS A 82 -5.633 -9.122 4.314 1.00 0.00 C ATOM 1279 C LYS A 82 -4.158 -8.737 4.281 1.00 0.00 C ATOM 1280 O LYS A 82 -3.304 -9.543 3.912 1.00 0.00 O ATOM 1281 CB LYS A 82 -6.262 -8.891 2.938 1.00 0.00 C ATOM 1282 CG LYS A 82 -7.506 -9.727 2.690 1.00 0.00 C ATOM 1283 CD LYS A 82 -7.150 -11.145 2.275 1.00 0.00 C ATOM 1284 CE LYS A 82 -8.284 -11.800 1.500 1.00 0.00 C ATOM 1285 NZ LYS A 82 -8.076 -13.266 1.346 1.00 0.00 N ATOM 0 H LYS A 82 -6.534 -7.389 5.076 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.709 -10.179 4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.517 -7.836 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.524 -9.116 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.114 -9.753 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.111 -9.260 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.249 -11.130 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.923 -11.738 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.228 -11.619 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.365 -11.339 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.870 -13.675 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.188 -13.439 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.025 -13.710 2.285 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.864 -7.500 4.671 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.492 -7.010 4.688 1.00 0.00 C ATOM 1301 C VAL A 83 -2.147 -6.388 6.037 1.00 0.00 C ATOM 1302 O VAL A 83 -1.351 -6.936 6.800 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.254 -5.967 3.579 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -0.794 -5.540 3.552 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.681 -6.521 2.228 1.00 0.00 C ATOM 0 H VAL A 83 -4.559 -6.820 4.979 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.847 -7.871 4.512 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.861 -5.087 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.645 -4.803 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.525 -5.102 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.164 -6.409 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.506 -5.772 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.102 -7.416 2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.741 -6.772 2.256 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.753 -5.242 6.326 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.511 -4.544 7.584 1.00 0.00 C ATOM 1317 C LEU A 84 -2.321 -5.535 8.728 1.00 0.00 C ATOM 1318 O LEU A 84 -1.309 -5.505 9.429 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.674 -3.602 7.899 1.00 0.00 C ATOM 1320 CG LEU A 84 -3.936 -2.495 6.877 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.069 -1.594 7.344 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.672 -1.683 6.633 1.00 0.00 C ATOM 0 H LEU A 84 -3.416 -4.776 5.706 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.597 -3.960 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.581 -4.198 8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.488 -3.138 8.868 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.233 -2.959 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.241 -0.812 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.977 -2.185 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.802 -1.138 8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.878 -0.900 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.344 -1.230 7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.887 -2.337 6.252 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.300 -6.415 8.910 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.240 -7.419 9.966 1.00 0.00 C ATOM 1336 C LYS A 85 -1.832 -7.991 10.095 1.00 0.00 C ATOM 1337 O LYS A 85 -1.276 -8.057 11.191 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.236 -8.546 9.684 1.00 0.00 C ATOM 1339 CG LYS A 85 -3.998 -9.791 10.521 1.00 0.00 C ATOM 1340 CD LYS A 85 -4.790 -10.976 9.994 1.00 0.00 C ATOM 1341 CE LYS A 85 -4.884 -12.088 11.028 1.00 0.00 C ATOM 1342 NZ LYS A 85 -3.539 -12.577 11.440 1.00 0.00 N ATOM 0 H LYS A 85 -4.145 -6.453 8.340 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.504 -6.936 10.907 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.246 -8.181 9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.182 -8.812 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.935 -10.033 10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.280 -9.595 11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.792 -10.650 9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.317 -11.358 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.422 -11.725 11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.462 -12.917 10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.645 -13.410 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.990 -12.836 10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.041 -11.826 11.960 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.260 -8.401 8.967 1.00 0.00 N ATOM 1357 CA ARG A 86 0.084 -8.967 8.955 1.00 0.00 C ATOM 1358 C ARG A 86 1.088 -7.998 9.572 1.00 0.00 C ATOM 1359 O ARG A 86 1.989 -8.405 10.307 1.00 0.00 O ATOM 1360 CB ARG A 86 0.503 -9.309 7.523 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.234 -10.504 6.942 1.00 0.00 C ATOM 1362 CD ARG A 86 0.298 -11.813 7.503 1.00 0.00 C ATOM 1363 NE ARG A 86 1.668 -12.077 7.072 1.00 0.00 N ATOM 1364 CZ ARG A 86 2.740 -11.685 7.752 1.00 0.00 C ATOM 1365 NH1 ARG A 86 2.601 -11.016 8.888 1.00 0.00 N ATOM 1366 NH2 ARG A 86 3.955 -11.963 7.295 1.00 0.00 N ATOM 0 H ARG A 86 -1.706 -8.352 8.051 1.00 0.00 H new ATOM 0 HA ARG A 86 0.072 -9.879 9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.330 -8.442 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.574 -9.510 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.298 -10.419 7.162 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.132 -10.504 5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.260 -11.783 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.346 -12.632 7.184 1.00 0.00 H new ATOM 0 HE ARG A 86 1.810 -12.590 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.669 -10.801 9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.426 -10.716 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.066 -12.478 6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.778 -11.662 7.817 1.00 0.00 H new ATOM 1380 N LEU A 87 0.927 -6.715 9.269 1.00 0.00 N ATOM 1381 CA LEU A 87 1.819 -5.687 9.794 1.00 0.00 C ATOM 1382 C LEU A 87 1.266 -5.093 11.085 1.00 0.00 C ATOM 1383 O LEU A 87 1.460 -3.912 11.370 1.00 0.00 O ATOM 1384 CB LEU A 87 2.021 -4.581 8.756 1.00 0.00 C ATOM 1385 CG LEU A 87 2.795 -4.975 7.498 1.00 0.00 C ATOM 1386 CD1 LEU A 87 2.335 -4.148 6.307 1.00 0.00 C ATOM 1387 CD2 LEU A 87 4.292 -4.809 7.718 1.00 0.00 C ATOM 0 H LEU A 87 0.187 -6.361 8.662 1.00 0.00 H new ATOM 0 HA LEU A 87 2.780 -6.152 10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.041 -4.210 8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.542 -3.752 9.234 1.00 0.00 H new ATOM 0 HG LEU A 87 2.593 -6.025 7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.897 -4.442 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.272 -4.317 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.506 -3.091 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.827 -5.094 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.511 -3.768 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.611 -5.446 8.543 1.00 0.00 H new ATOM 1399 N ASN A 88 0.577 -5.921 11.864 1.00 0.00 N ATOM 1400 CA ASN A 88 -0.003 -5.478 13.126 1.00 0.00 C ATOM 1401 C ASN A 88 -0.530 -4.051 13.012 1.00 0.00 C ATOM 1402 O ASN A 88 -0.439 -3.267 13.957 1.00 0.00 O ATOM 1403 CB ASN A 88 1.036 -5.562 14.246 1.00 0.00 C ATOM 1404 CG ASN A 88 1.032 -6.912 14.937 1.00 0.00 C ATOM 1405 OD1 ASN A 88 1.752 -7.828 14.538 1.00 0.00 O ATOM 1406 ND2 ASN A 88 0.220 -7.041 15.980 1.00 0.00 N ATOM 0 H ASN A 88 0.407 -6.902 11.643 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.838 -6.137 13.364 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.027 -5.370 13.834 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.839 -4.780 14.980 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.175 -7.926 16.485 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.359 -6.255 16.276 1.00 0.00 H new ATOM 1413 N PHE A 89 -1.081 -3.721 11.849 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.622 -2.388 11.610 1.00 0.00 C ATOM 1415 C PHE A 89 -3.147 -2.407 11.637 1.00 0.00 C ATOM 1416 O PHE A 89 -3.778 -3.284 11.046 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.131 -1.848 10.265 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.110 -0.348 10.192 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -2.268 0.361 9.915 1.00 0.00 C ATOM 1420 CD2 PHE A 89 0.066 0.353 10.402 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -2.251 1.741 9.846 1.00 0.00 C ATOM 1422 CE2 PHE A 89 0.089 1.733 10.335 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.072 2.428 10.058 1.00 0.00 C ATOM 0 H PHE A 89 -1.165 -4.358 11.057 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.270 -1.733 12.407 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.127 -2.227 10.075 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.772 -2.233 9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.194 -0.171 9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.976 -0.186 10.621 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.159 2.282 9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.013 2.267 10.499 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.058 3.507 10.007 1.00 0.00 H new ATOM 1433 N SER A 90 -3.734 -1.434 12.326 1.00 0.00 N ATOM 1434 CA SER A 90 -5.185 -1.340 12.435 1.00 0.00 C ATOM 1435 C SER A 90 -5.680 0.016 11.943 1.00 0.00 C ATOM 1436 O SER A 90 -4.996 1.029 12.086 1.00 0.00 O ATOM 1437 CB SER A 90 -5.625 -1.562 13.883 1.00 0.00 C ATOM 1438 OG SER A 90 -5.308 -0.440 14.689 1.00 0.00 O ATOM 0 H SER A 90 -3.226 -0.699 12.818 1.00 0.00 H new ATOM 0 HA SER A 90 -5.622 -2.116 11.807 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.699 -1.746 13.916 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.137 -2.451 14.283 1.00 0.00 H new ATOM 0 HG SER A 90 -5.601 -0.605 15.610 1.00 0.00 H new ATOM 1444 N VAL A 91 -6.876 0.027 11.362 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.465 1.259 10.849 1.00 0.00 C ATOM 1446 C VAL A 91 -8.987 1.214 10.928 1.00 0.00 C ATOM 1447 O VAL A 91 -9.633 0.298 10.421 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.045 1.516 9.389 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -7.720 2.769 8.853 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.532 1.628 9.282 1.00 0.00 C ATOM 0 H VAL A 91 -7.456 -0.803 11.235 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.095 2.072 11.474 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.367 0.670 8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.412 2.935 7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.802 2.645 8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.430 3.626 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.253 1.809 8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.184 2.455 9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.073 0.700 9.624 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.575 2.228 11.581 1.00 0.00 N ATOM 1461 CA PRO A 92 -11.029 2.328 11.742 1.00 0.00 C ATOM 1462 C PRO A 92 -11.737 2.634 10.427 1.00 0.00 C ATOM 1463 O PRO A 92 -11.302 3.494 9.661 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.197 3.491 12.723 1.00 0.00 C ATOM 1465 CG PRO A 92 -9.971 4.318 12.544 1.00 0.00 C ATOM 1466 CD PRO A 92 -8.866 3.354 12.211 1.00 0.00 C ATOM 0 HA PRO A 92 -11.467 1.392 12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.097 4.066 12.505 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.287 3.134 13.749 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.106 5.048 11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.741 4.877 13.451 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.136 3.798 11.535 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.325 3.039 13.103 1.00 0.00 H new ATOM 1474 N ASP A 93 -12.831 1.924 10.171 1.00 0.00 N ATOM 1475 CA ASP A 93 -13.602 2.121 8.948 1.00 0.00 C ATOM 1476 C ASP A 93 -13.752 3.606 8.634 1.00 0.00 C ATOM 1477 O ASP A 93 -13.730 4.010 7.471 1.00 0.00 O ATOM 1478 CB ASP A 93 -14.981 1.473 9.080 1.00 0.00 C ATOM 1479 CG ASP A 93 -14.902 0.036 9.555 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -14.279 -0.789 8.854 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -15.463 -0.265 10.630 1.00 0.00 O ATOM 0 H ASP A 93 -13.204 1.207 10.794 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.063 1.647 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.585 2.051 9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.489 1.507 8.116 1.00 0.00 H new ATOM 1486 N ASP A 94 -13.905 4.414 9.677 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.058 5.855 9.512 1.00 0.00 C ATOM 1488 C ASP A 94 -12.941 6.425 8.644 1.00 0.00 C ATOM 1489 O ASP A 94 -13.198 7.089 7.640 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.066 6.548 10.876 1.00 0.00 C ATOM 1491 CG ASP A 94 -14.602 7.964 10.803 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -14.394 8.625 9.764 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -15.231 8.411 11.785 1.00 0.00 O ATOM 0 H ASP A 94 -13.926 4.096 10.646 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.010 6.040 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -14.673 5.968 11.571 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.053 6.566 11.277 1.00 0.00 H new ATOM 1498 N VAL A 95 -11.699 6.162 9.039 1.00 0.00 N ATOM 1499 CA VAL A 95 -10.542 6.649 8.297 1.00 0.00 C ATOM 1500 C VAL A 95 -10.571 6.163 6.852 1.00 0.00 C ATOM 1501 O VAL A 95 -10.200 6.893 5.934 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.224 6.196 8.953 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.051 6.437 8.015 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.014 6.915 10.277 1.00 0.00 C ATOM 0 H VAL A 95 -11.468 5.615 9.868 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.592 7.738 8.312 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.286 5.126 9.152 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.128 6.111 8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.200 5.873 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.983 7.500 7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.078 6.583 10.727 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.972 7.990 10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.841 6.687 10.950 1.00 0.00 H new ATOM 1514 N MET A 96 -11.016 4.925 6.659 1.00 0.00 N ATOM 1515 CA MET A 96 -11.095 4.342 5.325 1.00 0.00 C ATOM 1516 C MET A 96 -12.074 5.118 4.450 1.00 0.00 C ATOM 1517 O MET A 96 -11.762 5.463 3.310 1.00 0.00 O ATOM 1518 CB MET A 96 -11.522 2.875 5.411 1.00 0.00 C ATOM 1519 CG MET A 96 -10.493 1.981 6.083 1.00 0.00 C ATOM 1520 SD MET A 96 -10.545 0.284 5.475 1.00 0.00 S ATOM 1521 CE MET A 96 -11.402 -0.531 6.820 1.00 0.00 C ATOM 0 H MET A 96 -11.327 4.307 7.409 1.00 0.00 H new ATOM 0 HA MET A 96 -10.106 4.399 4.871 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.461 2.810 5.960 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.714 2.501 4.405 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.497 2.392 5.918 1.00 0.00 H new ATOM 0 HG3 MET A 96 -10.664 1.983 7.160 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.057 -1.562 6.899 1.00 0.00 H new ATOM 0 HE2 MET A 96 -11.196 -0.007 7.753 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.475 -0.521 6.627 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.257 5.390 4.990 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.281 6.124 4.257 1.00 0.00 C ATOM 1533 C ARG A 97 -13.683 7.343 3.561 1.00 0.00 C ATOM 1534 O ARG A 97 -13.905 7.564 2.370 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.401 6.561 5.203 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.333 5.431 5.608 1.00 0.00 C ATOM 1537 CD ARG A 97 -17.461 5.252 4.604 1.00 0.00 C ATOM 1538 NE ARG A 97 -18.614 6.089 4.922 1.00 0.00 N ATOM 1539 CZ ARG A 97 -19.617 6.310 4.078 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -19.607 5.758 2.873 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -20.632 7.084 4.440 1.00 0.00 N ATOM 0 H ARG A 97 -13.530 5.113 5.933 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.695 5.461 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -14.959 6.995 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -15.984 7.347 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -15.767 4.503 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.751 5.638 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.100 5.497 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.767 4.206 4.585 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.652 6.528 5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.829 5.162 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -20.378 5.929 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.643 7.510 5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.401 7.253 3.792 1.00 0.00 H new ATOM 1555 N LYS A 98 -12.924 8.134 4.313 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.293 9.331 3.770 1.00 0.00 C ATOM 1557 C LYS A 98 -11.331 8.974 2.641 1.00 0.00 C ATOM 1558 O LYS A 98 -11.508 9.408 1.502 1.00 0.00 O ATOM 1559 CB LYS A 98 -11.545 10.082 4.873 1.00 0.00 C ATOM 1560 CG LYS A 98 -12.447 10.578 5.990 1.00 0.00 C ATOM 1561 CD LYS A 98 -11.689 10.710 7.301 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.517 11.433 8.353 1.00 0.00 C ATOM 1563 NZ LYS A 98 -12.345 12.910 8.275 1.00 0.00 N ATOM 0 H LYS A 98 -12.731 7.967 5.301 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.076 9.974 3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.784 9.426 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.024 10.932 4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.871 11.544 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.281 9.888 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.418 9.720 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.759 11.253 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.570 11.183 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.228 11.086 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.925 13.366 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.345 13.151 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.645 13.245 7.337 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.315 8.182 2.964 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.327 7.766 1.976 1.00 0.00 C ATOM 1579 C ILE A 99 -9.984 7.474 0.631 1.00 0.00 C ATOM 1580 O ILE A 99 -9.770 8.193 -0.344 1.00 0.00 O ATOM 1581 CB ILE A 99 -8.558 6.515 2.441 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -7.827 6.797 3.755 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -7.577 6.067 1.368 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.238 5.561 4.397 1.00 0.00 C ATOM 0 H ILE A 99 -10.154 7.815 3.902 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.626 8.593 1.864 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.273 5.710 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.029 7.516 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.521 7.264 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.041 5.182 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.121 5.830 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.865 6.868 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.735 5.837 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.034 4.849 4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.519 5.105 3.716 1.00 0.00 H new ATOM 1596 N ALA A 100 -10.786 6.415 0.588 1.00 0.00 N ATOM 1597 CA ALA A 100 -11.478 6.031 -0.636 1.00 0.00 C ATOM 1598 C ALA A 100 -12.197 7.223 -1.258 1.00 0.00 C ATOM 1599 O ALA A 100 -12.330 7.311 -2.478 1.00 0.00 O ATOM 1600 CB ALA A 100 -12.463 4.906 -0.355 1.00 0.00 C ATOM 0 H ALA A 100 -10.972 5.808 1.386 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.733 5.677 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.973 4.630 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.926 4.042 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.197 5.240 0.379 1.00 0.00 H new ATOM 1606 N GLN A 101 -12.660 8.137 -0.411 1.00 0.00 N ATOM 1607 CA GLN A 101 -13.367 9.323 -0.879 1.00 0.00 C ATOM 1608 C GLN A 101 -12.388 10.444 -1.213 1.00 0.00 C ATOM 1609 O GLN A 101 -12.694 11.623 -1.031 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.364 9.799 0.180 1.00 0.00 C ATOM 1611 CG GLN A 101 -15.627 8.956 0.249 1.00 0.00 C ATOM 1612 CD GLN A 101 -16.701 9.435 -0.707 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -16.442 9.656 -1.890 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -17.917 9.599 -0.198 1.00 0.00 N ATOM 0 H GLN A 101 -12.558 8.079 0.602 1.00 0.00 H new ATOM 0 HA GLN A 101 -13.910 9.057 -1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.877 9.790 1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.638 10.833 -0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -15.380 7.919 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -16.017 8.975 1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -18.087 9.404 0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -18.680 9.920 -0.794 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.212 10.069 -1.702 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.187 11.043 -2.061 1.00 0.00 C ATOM 1625 C CYS A 102 -10.217 12.237 -1.113 1.00 0.00 C ATOM 1626 O CYS A 102 -10.027 13.379 -1.531 1.00 0.00 O ATOM 1627 CB CYS A 102 -10.385 11.515 -3.502 1.00 0.00 C ATOM 1628 SG CYS A 102 -11.865 12.522 -3.752 1.00 0.00 S ATOM 0 H CYS A 102 -10.944 9.097 -1.859 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.214 10.559 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -9.511 12.090 -3.808 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -10.437 10.643 -4.155 1.00 0.00 H new ATOM 0 HG CYS A 102 -12.599 12.489 -2.679 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.457 11.966 0.166 1.00 0.00 N ATOM 1635 CA ALA A 103 -10.512 13.018 1.173 1.00 0.00 C ATOM 1636 C ALA A 103 -9.232 13.847 1.171 1.00 0.00 C ATOM 1637 O ALA A 103 -8.200 13.438 0.640 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.752 12.418 2.551 1.00 0.00 C ATOM 0 H ALA A 103 -10.616 11.026 0.529 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.343 13.679 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.791 13.215 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.697 11.875 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.940 11.733 2.796 1.00 0.00 H new ATOM 1644 N PRO A 104 -9.299 15.041 1.777 1.00 0.00 N ATOM 1645 CA PRO A 104 -8.154 15.953 1.858 1.00 0.00 C ATOM 1646 C PRO A 104 -7.063 15.432 2.788 1.00 0.00 C ATOM 1647 O PRO A 104 -7.267 15.311 3.995 1.00 0.00 O ATOM 1648 CB PRO A 104 -8.764 17.240 2.419 1.00 0.00 C ATOM 1649 CG PRO A 104 -9.969 16.792 3.171 1.00 0.00 C ATOM 1650 CD PRO A 104 -10.497 15.593 2.432 1.00 0.00 C ATOM 0 HA PRO A 104 -7.667 16.082 0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.061 17.760 3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.031 17.933 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -9.714 16.535 4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -10.717 17.583 3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -10.953 14.872 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.260 15.873 1.705 1.00 0.00 H new ATOM 1658 N GLY A 105 -5.901 15.125 2.217 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.795 14.622 3.009 1.00 0.00 C ATOM 1660 C GLY A 105 -5.254 13.718 4.136 1.00 0.00 C ATOM 1661 O GLY A 105 -5.367 14.151 5.283 1.00 0.00 O ATOM 0 H GLY A 105 -5.707 15.216 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.110 14.073 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.238 15.462 3.425 1.00 0.00 H new ATOM 1665 N VAL A 106 -5.520 12.457 3.811 1.00 0.00 N ATOM 1666 CA VAL A 106 -5.969 11.489 4.804 1.00 0.00 C ATOM 1667 C VAL A 106 -5.226 10.166 4.659 1.00 0.00 C ATOM 1668 O VAL A 106 -4.632 9.667 5.615 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.483 11.229 4.690 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -7.906 10.113 5.632 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.265 12.503 4.974 1.00 0.00 C ATOM 0 H VAL A 106 -5.432 12.082 2.867 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.753 11.918 5.783 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.704 10.914 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.979 9.944 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.370 9.199 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.673 10.395 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.333 12.301 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.041 12.851 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.983 13.271 4.254 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.262 9.602 3.456 1.00 0.00 N ATOM 1682 CA VAL A 107 -4.590 8.337 3.184 1.00 0.00 C ATOM 1683 C VAL A 107 -3.100 8.429 3.491 1.00 0.00 C ATOM 1684 O VAL A 107 -2.464 7.432 3.832 1.00 0.00 O ATOM 1685 CB VAL A 107 -4.775 7.908 1.716 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.155 8.932 0.778 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.174 6.529 1.485 1.00 0.00 C ATOM 0 H VAL A 107 -5.750 10.001 2.654 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.046 7.590 3.834 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.843 7.855 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.296 8.612 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.635 9.899 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.089 9.020 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.313 6.241 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.109 6.553 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.669 5.804 2.131 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.549 9.633 3.369 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.133 9.854 3.634 1.00 0.00 C ATOM 1699 C GLU A 108 -0.790 9.513 5.081 1.00 0.00 C ATOM 1700 O GLU A 108 0.213 8.852 5.355 1.00 0.00 O ATOM 1701 CB GLU A 108 -0.757 11.308 3.339 1.00 0.00 C ATOM 1702 CG GLU A 108 -0.657 11.622 1.856 1.00 0.00 C ATOM 1703 CD GLU A 108 -2.014 11.703 1.184 1.00 0.00 C ATOM 1704 OE1 GLU A 108 -3.016 11.923 1.896 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -2.074 11.546 -0.054 1.00 0.00 O ATOM 0 H GLU A 108 -3.062 10.469 3.089 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.561 9.197 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.499 11.965 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.198 11.531 3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.133 12.569 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.058 10.855 1.366 1.00 0.00 H new ATOM 1712 N LEU A 109 -1.629 9.968 6.005 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.416 9.712 7.425 1.00 0.00 C ATOM 1714 C LEU A 109 -1.118 8.237 7.674 1.00 0.00 C ATOM 1715 O LEU A 109 -0.519 7.876 8.687 1.00 0.00 O ATOM 1716 CB LEU A 109 -2.645 10.139 8.230 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.078 11.597 8.073 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.514 11.781 8.538 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.144 12.517 8.845 1.00 0.00 C ATOM 0 H LEU A 109 -2.463 10.516 5.796 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.555 10.297 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.481 9.500 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.446 9.952 9.285 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.023 11.860 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.804 12.825 8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.173 11.151 7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.595 11.500 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.468 13.551 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.166 12.254 9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.128 12.407 8.465 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.539 7.388 6.742 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.314 5.953 6.858 1.00 0.00 C ATOM 1733 C VAL A 110 -0.130 5.511 6.006 1.00 0.00 C ATOM 1734 O VAL A 110 0.532 4.518 6.310 1.00 0.00 O ATOM 1735 CB VAL A 110 -2.562 5.153 6.436 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.348 3.666 6.673 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -3.790 5.650 7.184 1.00 0.00 C ATOM 0 H VAL A 110 -2.038 7.670 5.898 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.099 5.751 7.907 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.728 5.306 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.239 3.117 6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.494 3.324 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.157 3.490 7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.662 5.075 6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.637 5.528 8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.952 6.704 6.958 1.00 0.00 H new ATOM 1747 N LEU A 111 0.133 6.255 4.937 1.00 0.00 N ATOM 1748 CA LEU A 111 1.240 5.942 4.040 1.00 0.00 C ATOM 1749 C LEU A 111 2.580 6.247 4.701 1.00 0.00 C ATOM 1750 O LEU A 111 3.525 5.463 4.601 1.00 0.00 O ATOM 1751 CB LEU A 111 1.108 6.735 2.739 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.100 6.394 1.865 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.274 7.432 0.767 1.00 0.00 C ATOM 1754 CD2 LEU A 111 0.049 5.003 1.267 1.00 0.00 C ATOM 0 H LEU A 111 -0.405 7.079 4.670 1.00 0.00 H new ATOM 0 HA LEU A 111 1.202 4.876 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.065 7.796 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.012 6.582 2.150 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.992 6.404 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.138 7.173 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.428 8.414 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.619 7.454 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.820 4.778 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.950 4.965 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.124 4.268 2.069 1.00 0.00 H new ATOM 1766 N ILE A 112 2.655 7.388 5.377 1.00 0.00 N ATOM 1767 CA ILE A 112 3.878 7.795 6.057 1.00 0.00 C ATOM 1768 C ILE A 112 4.405 6.679 6.953 1.00 0.00 C ATOM 1769 O ILE A 112 5.536 6.214 6.807 1.00 0.00 O ATOM 1770 CB ILE A 112 3.656 9.059 6.907 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.936 10.314 6.078 1.00 0.00 C ATOM 1772 CG2 ILE A 112 4.541 9.028 8.145 1.00 0.00 C ATOM 1773 CD1 ILE A 112 3.414 11.585 6.710 1.00 0.00 C ATOM 0 H ILE A 112 1.882 8.048 5.468 1.00 0.00 H new ATOM 0 HA ILE A 112 4.613 8.014 5.282 1.00 0.00 H new ATOM 0 HB ILE A 112 2.615 9.083 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.012 10.408 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.486 10.196 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 112 4.372 9.929 8.735 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.298 8.150 8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.587 8.983 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.648 12.434 6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 112 2.334 11.512 6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.883 11.727 7.684 1.00 0.00 H new ATOM 1785 N PRO A 113 3.568 6.237 7.902 1.00 0.00 N ATOM 1786 CA PRO A 113 3.927 5.168 8.839 1.00 0.00 C ATOM 1787 C PRO A 113 4.028 3.808 8.157 1.00 0.00 C ATOM 1788 O PRO A 113 4.676 2.893 8.667 1.00 0.00 O ATOM 1789 CB PRO A 113 2.773 5.177 9.846 1.00 0.00 C ATOM 1790 CG PRO A 113 1.620 5.748 9.096 1.00 0.00 C ATOM 1791 CD PRO A 113 2.205 6.745 8.133 1.00 0.00 C ATOM 0 HA PRO A 113 4.906 5.333 9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.553 4.172 10.205 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.015 5.782 10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.074 4.967 8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.913 6.228 9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.632 6.793 7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.217 7.751 8.553 1.00 0.00 H new ATOM 1799 N LEU A 114 3.385 3.682 7.002 1.00 0.00 N ATOM 1800 CA LEU A 114 3.403 2.433 6.248 1.00 0.00 C ATOM 1801 C LEU A 114 4.833 1.957 6.017 1.00 0.00 C ATOM 1802 O LEU A 114 5.184 0.827 6.356 1.00 0.00 O ATOM 1803 CB LEU A 114 2.690 2.613 4.907 1.00 0.00 C ATOM 1804 CG LEU A 114 2.345 1.329 4.152 1.00 0.00 C ATOM 1805 CD1 LEU A 114 1.009 0.776 4.622 1.00 0.00 C ATOM 1806 CD2 LEU A 114 2.322 1.582 2.652 1.00 0.00 C ATOM 0 H LEU A 114 2.844 4.429 6.567 1.00 0.00 H new ATOM 0 HA LEU A 114 2.878 1.677 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 114 1.768 3.168 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.318 3.231 4.265 1.00 0.00 H new ATOM 0 HG LEU A 114 3.116 0.588 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.780 -0.138 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.061 0.556 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.226 1.513 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.075 0.657 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.573 2.339 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.302 1.931 2.327 1.00 0.00 H new ATOM 1818 N ARG A 115 5.655 2.828 5.441 1.00 0.00 N ATOM 1819 CA ARG A 115 7.048 2.497 5.166 1.00 0.00 C ATOM 1820 C ARG A 115 7.778 2.107 6.448 1.00 0.00 C ATOM 1821 O ARG A 115 8.512 1.120 6.479 1.00 0.00 O ATOM 1822 CB ARG A 115 7.755 3.682 4.504 1.00 0.00 C ATOM 1823 CG ARG A 115 9.253 3.484 4.342 1.00 0.00 C ATOM 1824 CD ARG A 115 9.993 4.812 4.336 1.00 0.00 C ATOM 1825 NE ARG A 115 11.429 4.638 4.132 1.00 0.00 N ATOM 1826 CZ ARG A 115 12.265 5.644 3.898 1.00 0.00 C ATOM 1827 NH1 ARG A 115 11.811 6.888 3.840 1.00 0.00 N ATOM 1828 NH2 ARG A 115 13.559 5.405 3.723 1.00 0.00 N ATOM 0 H ARG A 115 5.381 3.768 5.156 1.00 0.00 H new ATOM 0 HA ARG A 115 7.065 1.646 4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 115 7.312 3.857 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 115 7.578 4.578 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 115 9.629 2.861 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 115 9.452 2.951 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 115 9.589 5.448 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 115 9.821 5.327 5.281 1.00 0.00 H new ATOM 0 HE ARG A 115 11.811 3.693 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 115 10.817 7.075 3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 115 12.455 7.658 3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 115 13.912 4.449 3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 115 14.201 6.177 3.543 1.00 0.00 H new ATOM 1842 N GLN A 116 7.570 2.890 7.502 1.00 0.00 N ATOM 1843 CA GLN A 116 8.209 2.627 8.786 1.00 0.00 C ATOM 1844 C GLN A 116 8.018 1.172 9.201 1.00 0.00 C ATOM 1845 O GLN A 116 8.986 0.461 9.472 1.00 0.00 O ATOM 1846 CB GLN A 116 7.643 3.555 9.862 1.00 0.00 C ATOM 1847 CG GLN A 116 8.221 4.960 9.819 1.00 0.00 C ATOM 1848 CD GLN A 116 9.469 5.104 10.668 1.00 0.00 C ATOM 1849 OE1 GLN A 116 10.305 4.202 10.720 1.00 0.00 O ATOM 1850 NE2 GLN A 116 9.600 6.242 11.340 1.00 0.00 N ATOM 0 H GLN A 116 6.965 3.711 7.492 1.00 0.00 H new ATOM 0 HA GLN A 116 9.277 2.818 8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.561 3.613 9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.837 3.121 10.843 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.456 5.221 8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.468 5.669 10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.882 6.963 11.267 1.00 0.00 H new ATOM 0 HE22 GLN A 116 10.419 6.395 11.929 1.00 0.00 H new ATOM 1859 N ARG A 117 6.764 0.735 9.250 1.00 0.00 N ATOM 1860 CA ARG A 117 6.446 -0.635 9.634 1.00 0.00 C ATOM 1861 C ARG A 117 7.131 -1.633 8.704 1.00 0.00 C ATOM 1862 O ARG A 117 7.798 -2.563 9.158 1.00 0.00 O ATOM 1863 CB ARG A 117 4.932 -0.855 9.611 1.00 0.00 C ATOM 1864 CG ARG A 117 4.241 -0.476 10.910 1.00 0.00 C ATOM 1865 CD ARG A 117 4.059 1.029 11.026 1.00 0.00 C ATOM 1866 NE ARG A 117 3.145 1.388 12.107 1.00 0.00 N ATOM 1867 CZ ARG A 117 3.459 1.300 13.394 1.00 0.00 C ATOM 1868 NH1 ARG A 117 4.657 0.866 13.760 1.00 0.00 N ATOM 1869 NH2 ARG A 117 2.573 1.646 14.320 1.00 0.00 N ATOM 0 H ARG A 117 5.951 1.310 9.028 1.00 0.00 H new ATOM 0 HA ARG A 117 6.814 -0.797 10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.501 -0.272 8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.729 -1.904 9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 117 3.269 -0.966 10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.827 -0.839 11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.027 1.499 11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.678 1.422 10.083 1.00 0.00 H new ATOM 0 HE ARG A 117 2.214 1.725 11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.341 0.598 13.052 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.895 0.800 14.750 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.650 1.980 14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.815 1.578 15.308 1.00 0.00 H new ATOM 1883 N LEU A 118 6.961 -1.433 7.402 1.00 0.00 N ATOM 1884 CA LEU A 118 7.562 -2.315 6.408 1.00 0.00 C ATOM 1885 C LEU A 118 9.053 -2.498 6.672 1.00 0.00 C ATOM 1886 O LEU A 118 9.564 -3.617 6.646 1.00 0.00 O ATOM 1887 CB LEU A 118 7.346 -1.753 5.002 1.00 0.00 C ATOM 1888 CG LEU A 118 5.904 -1.748 4.494 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.743 -0.755 3.353 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.490 -3.144 4.052 1.00 0.00 C ATOM 0 H LEU A 118 6.412 -0.668 7.010 1.00 0.00 H new ATOM 0 HA LEU A 118 7.077 -3.289 6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.721 -0.730 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.953 -2.330 4.305 1.00 0.00 H new ATOM 0 HG LEU A 118 5.252 -1.439 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.710 -0.766 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.998 0.245 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.405 -1.032 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.461 -3.122 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.147 -3.481 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.566 -3.830 4.896 1.00 0.00 H new ATOM 1902 N GLU A 119 9.743 -1.391 6.929 1.00 0.00 N ATOM 1903 CA GLU A 119 11.175 -1.431 7.199 1.00 0.00 C ATOM 1904 C GLU A 119 11.507 -2.520 8.216 1.00 0.00 C ATOM 1905 O GLU A 119 12.399 -3.338 7.994 1.00 0.00 O ATOM 1906 CB GLU A 119 11.657 -0.073 7.715 1.00 0.00 C ATOM 1907 CG GLU A 119 11.748 0.991 6.634 1.00 0.00 C ATOM 1908 CD GLU A 119 12.389 2.273 7.130 1.00 0.00 C ATOM 1909 OE1 GLU A 119 13.509 2.204 7.677 1.00 0.00 O ATOM 1910 OE2 GLU A 119 11.769 3.346 6.970 1.00 0.00 O ATOM 0 H GLU A 119 9.334 -0.457 6.956 1.00 0.00 H new ATOM 0 HA GLU A 119 11.688 -1.661 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.979 0.271 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.637 -0.196 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.324 0.602 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.748 1.210 6.260 1.00 0.00 H new ATOM 1917 N GLU A 120 10.783 -2.522 9.330 1.00 0.00 N ATOM 1918 CA GLU A 120 11.001 -3.509 10.381 1.00 0.00 C ATOM 1919 C GLU A 120 10.872 -4.926 9.831 1.00 0.00 C ATOM 1920 O GLU A 120 11.430 -5.873 10.387 1.00 0.00 O ATOM 1921 CB GLU A 120 10.005 -3.300 11.523 1.00 0.00 C ATOM 1922 CG GLU A 120 10.440 -3.932 12.834 1.00 0.00 C ATOM 1923 CD GLU A 120 11.627 -3.223 13.457 1.00 0.00 C ATOM 1924 OE1 GLU A 120 11.438 -2.117 14.005 1.00 0.00 O ATOM 1925 OE2 GLU A 120 12.746 -3.775 13.397 1.00 0.00 O ATOM 0 H GLU A 120 10.040 -1.851 9.528 1.00 0.00 H new ATOM 0 HA GLU A 120 12.013 -3.377 10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.860 -2.231 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.040 -3.715 11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.605 -3.919 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.695 -4.978 12.662 1.00 0.00 H new ATOM 1932 N ARG A 121 10.131 -5.065 8.736 1.00 0.00 N ATOM 1933 CA ARG A 121 9.927 -6.366 8.111 1.00 0.00 C ATOM 1934 C ARG A 121 11.021 -6.656 7.088 1.00 0.00 C ATOM 1935 O ARG A 121 11.480 -7.791 6.963 1.00 0.00 O ATOM 1936 CB ARG A 121 8.555 -6.421 7.436 1.00 0.00 C ATOM 1937 CG ARG A 121 7.415 -6.721 8.396 1.00 0.00 C ATOM 1938 CD ARG A 121 7.169 -8.217 8.518 1.00 0.00 C ATOM 1939 NE ARG A 121 6.645 -8.580 9.832 1.00 0.00 N ATOM 1940 CZ ARG A 121 6.217 -9.799 10.142 1.00 0.00 C ATOM 1941 NH1 ARG A 121 6.252 -10.767 9.237 1.00 0.00 N ATOM 1942 NH2 ARG A 121 5.754 -10.052 11.359 1.00 0.00 N ATOM 0 H ARG A 121 9.662 -4.292 8.264 1.00 0.00 H new ATOM 0 HA ARG A 121 9.972 -7.127 8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.363 -5.467 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 121 8.573 -7.183 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 121 7.646 -6.308 9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 121 6.506 -6.229 8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 121 6.466 -8.533 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 121 8.101 -8.753 8.338 1.00 0.00 H new ATOM 0 HE ARG A 121 6.605 -7.858 10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 121 6.608 -10.577 8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 121 5.923 -11.702 9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.726 -9.310 12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.426 -10.988 11.595 1.00 0.00 H new ATOM 1956 N GLN A 122 11.432 -5.623 6.360 1.00 0.00 N ATOM 1957 CA GLN A 122 12.472 -5.768 5.348 1.00 0.00 C ATOM 1958 C GLN A 122 13.612 -6.642 5.860 1.00 0.00 C ATOM 1959 O GLN A 122 13.844 -7.738 5.351 1.00 0.00 O ATOM 1960 CB GLN A 122 13.009 -4.396 4.937 1.00 0.00 C ATOM 1961 CG GLN A 122 13.723 -4.399 3.596 1.00 0.00 C ATOM 1962 CD GLN A 122 14.463 -3.104 3.326 1.00 0.00 C ATOM 1963 OE1 GLN A 122 13.941 -2.015 3.567 1.00 0.00 O ATOM 1964 NE2 GLN A 122 15.687 -3.214 2.823 1.00 0.00 N ATOM 0 H GLN A 122 11.061 -4.677 6.452 1.00 0.00 H new ATOM 0 HA GLN A 122 12.031 -6.252 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 122 12.181 -3.688 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 122 13.696 -4.039 5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 122 14.429 -5.229 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 122 12.996 -4.570 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 122 16.082 -4.136 2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 122 16.233 -2.376 2.621 1.00 0.00 H new