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= -4.99! C(o=-5!,f=-5.7!) USER MOD Set 1.2: A 96 MET CE :methyl -165:sc=-0.000647 (180deg=-0.412) USER MOD Set 2.1: A 41 SER OG : rot 166:sc= 1.4 USER MOD Set 2.2: A 102 CYS SG : rot 180:sc= 1.1 USER MOD Single : A 19 GLN : amide:sc= -0.0462 X(o=-0.046,f=-0.19) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.332 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -127:sc= -0.0116 (180deg=-2.6!) USER MOD Single : A 60 MET CE :methyl 161:sc= -5.06! (180deg=-6.14!) USER MOD Single : A 61 HIS : no HD1:sc=-0.00243 X(o=-0.0024,f=-0.23) USER MOD Single : A 62 ASN : amide:sc= -0.0274 X(o=-0.027,f=-0.41) USER MOD Single : A 63 TYR OH : rot 0:sc= -1.89 USER MOD Single : A 67 ASN : amide:sc= -0.625 K(o=-0.62,f=-0.054) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 71 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.56) USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= 0.451 (180deg=-0.131) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0913 K(o=-0.091,f=-2!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.14) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.78) USER MOD Single : A 90 SER OG : rot 20:sc=0.000955 USER MOD Single : A 98 LYS NZ :NH3+ -139:sc= -4.94! (180deg=-6.52!) USER MOD Single : A 101 GLN : amide:sc= -0.53 K(o=-0.53,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.5!) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 8.694 14.507 1.310 1.00 0.00 N ATOM 221 CA GLN A 19 9.367 13.237 1.558 1.00 0.00 C ATOM 222 C GLN A 19 8.485 12.064 1.144 1.00 0.00 C ATOM 223 O GLN A 19 8.930 11.157 0.440 1.00 0.00 O ATOM 224 CB GLN A 19 9.740 13.114 3.037 1.00 0.00 C ATOM 225 CG GLN A 19 10.926 13.976 3.439 1.00 0.00 C ATOM 226 CD GLN A 19 12.242 13.440 2.910 1.00 0.00 C ATOM 227 OE1 GLN A 19 12.552 12.259 3.065 1.00 0.00 O ATOM 228 NE2 GLN A 19 13.025 14.309 2.282 1.00 0.00 N ATOM 0 HA GLN A 19 10.277 13.213 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.878 13.390 3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.967 12.072 3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.776 14.990 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.974 14.038 4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.728 15.279 2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.923 14.007 1.905 1.00 0.00 H new ATOM 237 N LEU A 20 7.232 12.088 1.587 1.00 0.00 N ATOM 238 CA LEU A 20 6.286 11.025 1.262 1.00 0.00 C ATOM 239 C LEU A 20 6.024 10.969 -0.239 1.00 0.00 C ATOM 240 O LEU A 20 5.946 9.889 -0.826 1.00 0.00 O ATOM 241 CB LEU A 20 4.971 11.240 2.013 1.00 0.00 C ATOM 242 CG LEU A 20 3.757 10.484 1.471 1.00 0.00 C ATOM 243 CD1 LEU A 20 3.752 9.050 1.977 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.469 11.194 1.861 1.00 0.00 C ATOM 0 H LEU A 20 6.848 12.831 2.171 1.00 0.00 H new ATOM 0 HA LEU A 20 6.723 10.076 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.119 10.951 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.743 12.306 2.007 1.00 0.00 H new ATOM 0 HG LEU A 20 3.822 10.463 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.881 8.528 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.660 8.545 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.712 9.049 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.616 10.642 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.397 11.246 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.470 12.203 1.448 1.00 0.00 H new ATOM 256 N TYR A 21 5.892 12.138 -0.856 1.00 0.00 N ATOM 257 CA TYR A 21 5.639 12.222 -2.289 1.00 0.00 C ATOM 258 C TYR A 21 6.785 11.601 -3.082 1.00 0.00 C ATOM 259 O TYR A 21 6.571 10.734 -3.931 1.00 0.00 O ATOM 260 CB TYR A 21 5.445 13.680 -2.710 1.00 0.00 C ATOM 261 CG TYR A 21 4.088 14.239 -2.348 1.00 0.00 C ATOM 262 CD1 TYR A 21 2.929 13.512 -2.591 1.00 0.00 C ATOM 263 CD2 TYR A 21 3.964 15.493 -1.763 1.00 0.00 C ATOM 264 CE1 TYR A 21 1.686 14.020 -2.263 1.00 0.00 C ATOM 265 CE2 TYR A 21 2.726 16.008 -1.431 1.00 0.00 C ATOM 266 CZ TYR A 21 1.590 15.267 -1.683 1.00 0.00 C ATOM 267 OH TYR A 21 0.354 15.775 -1.354 1.00 0.00 O ATOM 0 H TYR A 21 5.956 13.041 -0.386 1.00 0.00 H new ATOM 0 HA TYR A 21 4.728 11.664 -2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.217 14.290 -2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.586 13.760 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.001 12.534 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.851 16.076 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.795 13.443 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.648 16.985 -0.977 1.00 0.00 H new ATOM 0 HH TYR A 21 0.461 16.663 -0.953 1.00 0.00 H new ATOM 277 N LEU A 22 8.003 12.049 -2.798 1.00 0.00 N ATOM 278 CA LEU A 22 9.185 11.537 -3.483 1.00 0.00 C ATOM 279 C LEU A 22 9.289 10.023 -3.334 1.00 0.00 C ATOM 280 O LEU A 22 9.565 9.311 -4.300 1.00 0.00 O ATOM 281 CB LEU A 22 10.447 12.203 -2.931 1.00 0.00 C ATOM 282 CG LEU A 22 10.439 13.732 -2.896 1.00 0.00 C ATOM 283 CD1 LEU A 22 11.519 14.250 -1.960 1.00 0.00 C ATOM 284 CD2 LEU A 22 10.626 14.299 -4.296 1.00 0.00 C ATOM 0 H LEU A 22 8.198 12.765 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 22 9.090 11.773 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.613 11.837 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.297 11.878 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 22 9.471 14.063 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.498 15.340 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.340 13.873 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.495 13.910 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.618 15.388 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.579 13.960 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.815 13.956 -4.939 1.00 0.00 H new ATOM 296 N TRP A 23 9.063 9.537 -2.119 1.00 0.00 N ATOM 297 CA TRP A 23 9.129 8.106 -1.843 1.00 0.00 C ATOM 298 C TRP A 23 8.377 7.312 -2.906 1.00 0.00 C ATOM 299 O TRP A 23 8.788 6.214 -3.281 1.00 0.00 O ATOM 300 CB TRP A 23 8.550 7.805 -0.460 1.00 0.00 C ATOM 301 CG TRP A 23 8.127 6.378 -0.291 1.00 0.00 C ATOM 302 CD1 TRP A 23 8.929 5.273 -0.338 1.00 0.00 C ATOM 303 CD2 TRP A 23 6.798 5.901 -0.050 1.00 0.00 C ATOM 304 NE1 TRP A 23 8.179 4.139 -0.140 1.00 0.00 N ATOM 305 CE2 TRP A 23 6.869 4.497 0.039 1.00 0.00 C ATOM 306 CE3 TRP A 23 5.556 6.523 0.101 1.00 0.00 C ATOM 307 CZ2 TRP A 23 5.746 3.708 0.271 1.00 0.00 C ATOM 308 CZ3 TRP A 23 4.442 5.739 0.331 1.00 0.00 C ATOM 309 CH2 TRP A 23 4.543 4.344 0.415 1.00 0.00 C ATOM 0 H TRP A 23 8.832 10.112 -1.309 1.00 0.00 H new ATOM 0 HA TRP A 23 10.176 7.805 -1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.294 8.048 0.298 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.692 8.454 -0.284 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.996 5.289 -0.506 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.539 3.185 -0.128 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.468 7.598 0.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 5.821 2.633 0.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.477 6.209 0.448 1.00 0.00 H new ATOM 0 HH2 TRP A 23 3.654 3.759 0.597 1.00 0.00 H new ATOM 320 N VAL A 24 7.272 7.874 -3.388 1.00 0.00 N ATOM 321 CA VAL A 24 6.464 7.219 -4.408 1.00 0.00 C ATOM 322 C VAL A 24 7.221 7.117 -5.728 1.00 0.00 C ATOM 323 O VAL A 24 7.390 6.027 -6.276 1.00 0.00 O ATOM 324 CB VAL A 24 5.141 7.971 -4.645 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.303 7.260 -5.697 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.369 8.114 -3.342 1.00 0.00 C ATOM 0 H VAL A 24 6.917 8.782 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 24 6.243 6.217 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 24 5.372 8.970 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.372 7.806 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.857 7.216 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.078 6.248 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.437 8.648 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.147 7.125 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.969 8.672 -2.623 1.00 0.00 H new ATOM 336 N ASP A 25 7.676 8.258 -6.232 1.00 0.00 N ATOM 337 CA ASP A 25 8.417 8.298 -7.487 1.00 0.00 C ATOM 338 C ASP A 25 9.544 7.270 -7.485 1.00 0.00 C ATOM 339 O ASP A 25 9.763 6.572 -8.475 1.00 0.00 O ATOM 340 CB ASP A 25 8.987 9.698 -7.723 1.00 0.00 C ATOM 341 CG ASP A 25 9.150 10.015 -9.197 1.00 0.00 C ATOM 342 OD1 ASP A 25 8.198 9.766 -9.966 1.00 0.00 O ATOM 343 OD2 ASP A 25 10.229 10.512 -9.581 1.00 0.00 O ATOM 0 H ASP A 25 7.545 9.168 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 25 7.728 8.054 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.329 10.437 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.954 9.782 -7.227 1.00 0.00 H new ATOM 348 N ASN A 26 10.258 7.183 -6.367 1.00 0.00 N ATOM 349 CA ASN A 26 11.364 6.241 -6.237 1.00 0.00 C ATOM 350 C ASN A 26 10.990 4.881 -6.817 1.00 0.00 C ATOM 351 O ASN A 26 11.823 4.201 -7.418 1.00 0.00 O ATOM 352 CB ASN A 26 11.762 6.090 -4.767 1.00 0.00 C ATOM 353 CG ASN A 26 12.431 4.760 -4.484 1.00 0.00 C ATOM 354 OD1 ASN A 26 11.776 3.793 -4.095 1.00 0.00 O ATOM 355 ND2 ASN A 26 13.744 4.705 -4.677 1.00 0.00 N ATOM 0 H ASN A 26 10.090 7.753 -5.538 1.00 0.00 H new ATOM 0 HA ASN A 26 12.212 6.634 -6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.438 6.900 -4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.875 6.188 -4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.249 3.836 -4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.247 5.531 -5.000 1.00 0.00 H new ATOM 362 N ILE A 27 9.734 4.490 -6.633 1.00 0.00 N ATOM 363 CA ILE A 27 9.250 3.211 -7.139 1.00 0.00 C ATOM 364 C ILE A 27 9.028 3.266 -8.646 1.00 0.00 C ATOM 365 O ILE A 27 8.485 4.230 -9.184 1.00 0.00 O ATOM 366 CB ILE A 27 7.936 2.795 -6.452 1.00 0.00 C ATOM 367 CG1 ILE A 27 8.031 3.020 -4.942 1.00 0.00 C ATOM 368 CG2 ILE A 27 7.617 1.339 -6.757 1.00 0.00 C ATOM 369 CD1 ILE A 27 6.685 3.179 -4.269 1.00 0.00 C ATOM 0 H ILE A 27 9.033 5.040 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 27 10.018 2.471 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 27 7.128 3.413 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.557 2.179 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.630 3.910 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.686 1.060 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.512 1.207 -7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.425 0.705 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.829 3.335 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.165 4.037 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.090 2.279 -4.428 1.00 0.00 H new ATOM 577 N ASP A 39 -5.130 8.504 -7.830 1.00 0.00 N ATOM 578 CA ASP A 39 -4.352 7.317 -8.165 1.00 0.00 C ATOM 579 C ASP A 39 -4.377 6.310 -7.020 1.00 0.00 C ATOM 580 O ASP A 39 -4.848 5.183 -7.180 1.00 0.00 O ATOM 581 CB ASP A 39 -2.908 7.703 -8.490 1.00 0.00 C ATOM 582 CG ASP A 39 -2.785 8.417 -9.821 1.00 0.00 C ATOM 583 OD1 ASP A 39 -3.668 8.223 -10.683 1.00 0.00 O ATOM 584 OD2 ASP A 39 -1.806 9.170 -10.002 1.00 0.00 O ATOM 0 HA ASP A 39 -4.802 6.853 -9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.520 8.345 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.290 6.806 -8.504 1.00 0.00 H new ATOM 589 N PHE A 40 -3.866 6.722 -5.864 1.00 0.00 N ATOM 590 CA PHE A 40 -3.828 5.855 -4.692 1.00 0.00 C ATOM 591 C PHE A 40 -5.236 5.433 -4.283 1.00 0.00 C ATOM 592 O PHE A 40 -5.460 4.292 -3.879 1.00 0.00 O ATOM 593 CB PHE A 40 -3.137 6.567 -3.527 1.00 0.00 C ATOM 594 CG PHE A 40 -1.650 6.364 -3.497 1.00 0.00 C ATOM 595 CD1 PHE A 40 -0.853 6.823 -4.534 1.00 0.00 C ATOM 596 CD2 PHE A 40 -1.047 5.715 -2.432 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.516 6.636 -4.510 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.322 5.526 -2.402 1.00 0.00 C ATOM 599 CZ PHE A 40 1.104 5.988 -3.441 1.00 0.00 C ATOM 0 H PHE A 40 -3.473 7.651 -5.714 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.260 4.961 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.349 7.635 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.563 6.210 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.307 7.333 -5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.654 5.352 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.125 6.996 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.779 5.017 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.174 5.843 -3.418 1.00 0.00 H new ATOM 609 N SER A 41 -6.181 6.361 -4.389 1.00 0.00 N ATOM 610 CA SER A 41 -7.566 6.087 -4.026 1.00 0.00 C ATOM 611 C SER A 41 -7.939 4.645 -4.354 1.00 0.00 C ATOM 612 O SER A 41 -8.674 3.997 -3.608 1.00 0.00 O ATOM 613 CB SER A 41 -8.506 7.048 -4.757 1.00 0.00 C ATOM 614 OG SER A 41 -9.787 7.068 -4.150 1.00 0.00 O ATOM 0 H SER A 41 -6.013 7.310 -4.724 1.00 0.00 H new ATOM 0 HA SER A 41 -7.670 6.235 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.081 8.052 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.599 6.747 -5.801 1.00 0.00 H new ATOM 0 HG SER A 41 -10.297 7.834 -4.487 1.00 0.00 H new ATOM 620 N ASP A 42 -7.426 4.148 -5.474 1.00 0.00 N ATOM 621 CA ASP A 42 -7.703 2.782 -5.902 1.00 0.00 C ATOM 622 C ASP A 42 -6.748 1.798 -5.231 1.00 0.00 C ATOM 623 O ASP A 42 -5.617 1.614 -5.678 1.00 0.00 O ATOM 624 CB ASP A 42 -7.588 2.667 -7.422 1.00 0.00 C ATOM 625 CG ASP A 42 -8.623 3.506 -8.146 1.00 0.00 C ATOM 626 OD1 ASP A 42 -8.766 4.699 -7.803 1.00 0.00 O ATOM 627 OD2 ASP A 42 -9.289 2.971 -9.056 1.00 0.00 O ATOM 0 H ASP A 42 -6.816 4.671 -6.102 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.721 2.534 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.591 2.978 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.702 1.623 -7.714 1.00 0.00 H new ATOM 632 N GLY A 43 -7.213 1.170 -4.156 1.00 0.00 N ATOM 633 CA GLY A 43 -6.388 0.214 -3.441 1.00 0.00 C ATOM 634 C GLY A 43 -5.553 -0.642 -4.372 1.00 0.00 C ATOM 635 O GLY A 43 -4.374 -0.886 -4.114 1.00 0.00 O ATOM 0 H GLY A 43 -8.146 1.306 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.730 0.748 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.026 -0.430 -2.835 1.00 0.00 H new ATOM 639 N VAL A 44 -6.165 -1.102 -5.459 1.00 0.00 N ATOM 640 CA VAL A 44 -5.471 -1.937 -6.432 1.00 0.00 C ATOM 641 C VAL A 44 -4.015 -1.508 -6.585 1.00 0.00 C ATOM 642 O VAL A 44 -3.118 -2.346 -6.689 1.00 0.00 O ATOM 643 CB VAL A 44 -6.157 -1.882 -7.810 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.293 -2.556 -8.864 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.533 -2.527 -7.744 1.00 0.00 C ATOM 0 H VAL A 44 -7.140 -0.910 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.509 -2.959 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.283 -0.837 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.794 -2.507 -9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.332 -2.046 -8.927 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.133 -3.599 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.004 -2.480 -8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.432 -3.569 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.150 -1.995 -7.020 1.00 0.00 H new ATOM 655 N LEU A 45 -3.788 -0.200 -6.596 1.00 0.00 N ATOM 656 CA LEU A 45 -2.440 0.341 -6.735 1.00 0.00 C ATOM 657 C LEU A 45 -1.641 0.149 -5.450 1.00 0.00 C ATOM 658 O LEU A 45 -0.543 -0.406 -5.467 1.00 0.00 O ATOM 659 CB LEU A 45 -2.500 1.827 -7.095 1.00 0.00 C ATOM 660 CG LEU A 45 -1.193 2.606 -6.948 1.00 0.00 C ATOM 661 CD1 LEU A 45 -0.208 2.207 -8.036 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.458 4.104 -6.990 1.00 0.00 C ATOM 0 H LEU A 45 -4.519 0.506 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.939 -0.201 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.839 1.917 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.255 2.302 -6.469 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.753 2.361 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.716 2.772 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.006 1.141 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.639 2.422 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.517 4.643 -6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.920 4.365 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.127 4.378 -6.174 1.00 0.00 H new ATOM 674 N VAL A 46 -2.201 0.612 -4.337 1.00 0.00 N ATOM 675 CA VAL A 46 -1.542 0.488 -3.042 1.00 0.00 C ATOM 676 C VAL A 46 -0.847 -0.862 -2.905 1.00 0.00 C ATOM 677 O VAL A 46 0.288 -0.942 -2.436 1.00 0.00 O ATOM 678 CB VAL A 46 -2.544 0.657 -1.884 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.852 0.456 -0.545 1.00 0.00 C ATOM 680 CG2 VAL A 46 -3.210 2.023 -1.951 1.00 0.00 C ATOM 0 H VAL A 46 -3.109 1.076 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.798 1.283 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.318 -0.104 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.576 0.579 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.428 -0.547 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.056 1.192 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.915 2.125 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.451 2.802 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.742 2.122 -2.897 1.00 0.00 H new ATOM 690 N ALA A 47 -1.536 -1.920 -3.319 1.00 0.00 N ATOM 691 CA ALA A 47 -0.984 -3.267 -3.245 1.00 0.00 C ATOM 692 C ALA A 47 0.322 -3.369 -4.026 1.00 0.00 C ATOM 693 O ALA A 47 1.290 -3.969 -3.559 1.00 0.00 O ATOM 694 CB ALA A 47 -1.992 -4.280 -3.766 1.00 0.00 C ATOM 0 H ALA A 47 -2.477 -1.870 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.770 -3.488 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.566 -5.282 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.899 -4.234 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.234 -4.052 -4.804 1.00 0.00 H new ATOM 700 N GLU A 48 0.342 -2.779 -5.217 1.00 0.00 N ATOM 701 CA GLU A 48 1.530 -2.805 -6.062 1.00 0.00 C ATOM 702 C GLU A 48 2.746 -2.276 -5.308 1.00 0.00 C ATOM 703 O GLU A 48 3.797 -2.917 -5.274 1.00 0.00 O ATOM 704 CB GLU A 48 1.301 -1.976 -7.328 1.00 0.00 C ATOM 705 CG GLU A 48 0.180 -2.504 -8.207 1.00 0.00 C ATOM 706 CD GLU A 48 0.132 -1.825 -9.562 1.00 0.00 C ATOM 707 OE1 GLU A 48 0.130 -0.577 -9.601 1.00 0.00 O ATOM 708 OE2 GLU A 48 0.096 -2.542 -10.584 1.00 0.00 O ATOM 0 H GLU A 48 -0.450 -2.278 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 48 1.721 -3.840 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.075 -0.948 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.224 -1.950 -7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.308 -3.577 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.774 -2.360 -7.699 1.00 0.00 H new ATOM 715 N VAL A 49 2.596 -1.102 -4.704 1.00 0.00 N ATOM 716 CA VAL A 49 3.681 -0.486 -3.949 1.00 0.00 C ATOM 717 C VAL A 49 4.341 -1.493 -3.014 1.00 0.00 C ATOM 718 O VAL A 49 5.567 -1.595 -2.961 1.00 0.00 O ATOM 719 CB VAL A 49 3.180 0.713 -3.123 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.317 1.316 -2.312 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.548 1.759 -4.030 1.00 0.00 C ATOM 0 H VAL A 49 1.733 -0.558 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 49 4.413 -0.136 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 49 2.418 0.360 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.944 2.162 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.719 0.563 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.104 1.655 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.200 2.599 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.287 2.110 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.704 1.318 -4.561 1.00 0.00 H new ATOM 731 N ILE A 50 3.520 -2.236 -2.280 1.00 0.00 N ATOM 732 CA ILE A 50 4.025 -3.237 -1.348 1.00 0.00 C ATOM 733 C ILE A 50 5.007 -4.180 -2.033 1.00 0.00 C ATOM 734 O ILE A 50 6.038 -4.541 -1.466 1.00 0.00 O ATOM 735 CB ILE A 50 2.879 -4.063 -0.735 1.00 0.00 C ATOM 736 CG1 ILE A 50 1.887 -3.146 -0.017 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.433 -5.107 0.224 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.551 -3.800 0.260 1.00 0.00 C ATOM 0 H ILE A 50 2.503 -2.164 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 50 4.539 -2.697 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 50 2.352 -4.578 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.325 -2.818 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.727 -2.253 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.611 -5.683 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.104 -5.776 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.981 -4.611 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.102 -3.092 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.092 -4.103 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.699 -4.677 0.890 1.00 0.00 H new ATOM 750 N LYS A 51 4.681 -4.577 -3.259 1.00 0.00 N ATOM 751 CA LYS A 51 5.535 -5.476 -4.025 1.00 0.00 C ATOM 752 C LYS A 51 7.008 -5.144 -3.809 1.00 0.00 C ATOM 753 O LYS A 51 7.787 -5.989 -3.369 1.00 0.00 O ATOM 754 CB LYS A 51 5.194 -5.390 -5.515 1.00 0.00 C ATOM 755 CG LYS A 51 5.627 -6.611 -6.309 1.00 0.00 C ATOM 756 CD LYS A 51 7.139 -6.697 -6.420 1.00 0.00 C ATOM 757 CE LYS A 51 7.567 -7.810 -7.364 1.00 0.00 C ATOM 758 NZ LYS A 51 7.416 -7.415 -8.791 1.00 0.00 N ATOM 0 H LYS A 51 3.830 -4.290 -3.743 1.00 0.00 H new ATOM 0 HA LYS A 51 5.356 -6.493 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.118 -5.258 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.669 -4.505 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.245 -7.512 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.190 -6.571 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.533 -5.745 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.568 -6.871 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.607 -8.073 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.971 -8.701 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.718 -8.200 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.420 -7.189 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.005 -6.580 -8.984 1.00 0.00 H new ATOM 772 N PHE A 52 7.382 -3.907 -4.121 1.00 0.00 N ATOM 773 CA PHE A 52 8.762 -3.463 -3.961 1.00 0.00 C ATOM 774 C PHE A 52 9.396 -4.092 -2.724 1.00 0.00 C ATOM 775 O PHE A 52 10.450 -4.722 -2.805 1.00 0.00 O ATOM 776 CB PHE A 52 8.820 -1.938 -3.858 1.00 0.00 C ATOM 777 CG PHE A 52 10.219 -1.393 -3.804 1.00 0.00 C ATOM 778 CD1 PHE A 52 10.969 -1.488 -2.643 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.783 -0.787 -4.915 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.256 -0.987 -2.592 1.00 0.00 C ATOM 781 CE2 PHE A 52 12.070 -0.285 -4.869 1.00 0.00 C ATOM 782 CZ PHE A 52 12.808 -0.386 -3.706 1.00 0.00 C ATOM 0 H PHE A 52 6.749 -3.195 -4.486 1.00 0.00 H new ATOM 0 HA PHE A 52 9.324 -3.783 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.303 -1.504 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.281 -1.621 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.544 -1.958 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.211 -0.706 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.830 -1.066 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.498 0.186 -5.742 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.814 0.004 -3.668 1.00 0.00 H new ATOM 792 N TYR A 53 8.745 -3.917 -1.579 1.00 0.00 N ATOM 793 CA TYR A 53 9.245 -4.464 -0.324 1.00 0.00 C ATOM 794 C TYR A 53 9.023 -5.972 -0.260 1.00 0.00 C ATOM 795 O TYR A 53 9.971 -6.746 -0.124 1.00 0.00 O ATOM 796 CB TYR A 53 8.558 -3.786 0.863 1.00 0.00 C ATOM 797 CG TYR A 53 8.874 -2.312 0.983 1.00 0.00 C ATOM 798 CD1 TYR A 53 8.281 -1.382 0.139 1.00 0.00 C ATOM 799 CD2 TYR A 53 9.766 -1.849 1.944 1.00 0.00 C ATOM 800 CE1 TYR A 53 8.568 -0.035 0.245 1.00 0.00 C ATOM 801 CE2 TYR A 53 10.057 -0.504 2.058 1.00 0.00 C ATOM 802 CZ TYR A 53 9.456 0.399 1.207 1.00 0.00 C ATOM 803 OH TYR A 53 9.743 1.741 1.317 1.00 0.00 O ATOM 0 H TYR A 53 7.870 -3.400 -1.495 1.00 0.00 H new ATOM 0 HA TYR A 53 10.316 -4.270 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.479 -3.911 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.858 -4.290 1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.583 -1.718 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.239 -2.553 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.100 0.674 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.752 -0.161 2.810 1.00 0.00 H new ATOM 0 HH TYR A 53 10.385 1.880 2.044 1.00 0.00 H new ATOM 813 N PHE A 54 7.763 -6.383 -0.359 1.00 0.00 N ATOM 814 CA PHE A 54 7.414 -7.798 -0.313 1.00 0.00 C ATOM 815 C PHE A 54 6.404 -8.145 -1.403 1.00 0.00 C ATOM 816 O PHE A 54 5.277 -7.649 -1.421 1.00 0.00 O ATOM 817 CB PHE A 54 6.844 -8.159 1.061 1.00 0.00 C ATOM 818 CG PHE A 54 7.707 -7.710 2.205 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.725 -8.520 2.682 1.00 0.00 C ATOM 820 CD2 PHE A 54 7.500 -6.478 2.804 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.521 -8.110 3.735 1.00 0.00 C ATOM 822 CE2 PHE A 54 8.293 -6.062 3.857 1.00 0.00 C ATOM 823 CZ PHE A 54 9.304 -6.879 4.323 1.00 0.00 C ATOM 0 H PHE A 54 6.966 -5.756 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 54 8.321 -8.377 -0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.856 -7.711 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.712 -9.239 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.899 -9.483 2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.710 -5.835 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.311 -8.751 4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.122 -5.099 4.315 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.924 -6.556 5.146 1.00 0.00 H new ATOM 833 N PRO A 55 6.816 -9.017 -2.334 1.00 0.00 N ATOM 834 CA PRO A 55 5.963 -9.450 -3.445 1.00 0.00 C ATOM 835 C PRO A 55 4.814 -10.339 -2.981 1.00 0.00 C ATOM 836 O PRO A 55 3.692 -10.229 -3.476 1.00 0.00 O ATOM 837 CB PRO A 55 6.922 -10.240 -4.341 1.00 0.00 C ATOM 838 CG PRO A 55 7.993 -10.716 -3.422 1.00 0.00 C ATOM 839 CD PRO A 55 8.146 -9.648 -2.375 1.00 0.00 C ATOM 0 HA PRO A 55 5.486 -8.607 -3.946 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.415 -11.075 -4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.330 -9.613 -5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.723 -11.670 -2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.928 -10.872 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.421 -10.070 -1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.923 -8.931 -2.642 1.00 0.00 H new ATOM 847 N LYS A 56 5.101 -11.220 -2.029 1.00 0.00 N ATOM 848 CA LYS A 56 4.091 -12.127 -1.496 1.00 0.00 C ATOM 849 C LYS A 56 2.974 -11.352 -0.804 1.00 0.00 C ATOM 850 O LYS A 56 1.795 -11.557 -1.089 1.00 0.00 O ATOM 851 CB LYS A 56 4.729 -13.111 -0.513 1.00 0.00 C ATOM 852 CG LYS A 56 5.483 -12.437 0.620 1.00 0.00 C ATOM 853 CD LYS A 56 6.387 -13.417 1.349 1.00 0.00 C ATOM 854 CE LYS A 56 7.769 -13.478 0.717 1.00 0.00 C ATOM 855 NZ LYS A 56 8.643 -12.367 1.187 1.00 0.00 N ATOM 0 H LYS A 56 6.025 -11.325 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 56 3.661 -12.682 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.950 -13.747 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.413 -13.762 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.080 -11.616 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.773 -12.003 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.477 -13.122 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.936 -14.409 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.236 -14.433 0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.675 -13.432 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.576 -12.444 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.210 -11.455 0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.754 -12.426 2.219 1.00 0.00 H new ATOM 869 N MET A 57 3.355 -10.461 0.106 1.00 0.00 N ATOM 870 CA MET A 57 2.384 -9.653 0.836 1.00 0.00 C ATOM 871 C MET A 57 1.394 -8.996 -0.120 1.00 0.00 C ATOM 872 O MET A 57 0.190 -8.977 0.134 1.00 0.00 O ATOM 873 CB MET A 57 3.099 -8.583 1.664 1.00 0.00 C ATOM 874 CG MET A 57 3.760 -9.127 2.920 1.00 0.00 C ATOM 875 SD MET A 57 2.606 -9.295 4.295 1.00 0.00 S ATOM 876 CE MET A 57 2.447 -7.589 4.814 1.00 0.00 C ATOM 0 H MET A 57 4.327 -10.280 0.355 1.00 0.00 H new ATOM 0 HA MET A 57 1.831 -10.312 1.506 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.856 -8.102 1.045 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.381 -7.813 1.946 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.202 -10.099 2.701 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.575 -8.465 3.213 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.652 -7.513 5.882 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.158 -6.973 4.263 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.434 -7.241 4.614 1.00 0.00 H new ATOM 886 N VAL A 58 1.910 -8.458 -1.221 1.00 0.00 N ATOM 887 CA VAL A 58 1.071 -7.800 -2.215 1.00 0.00 C ATOM 888 C VAL A 58 -0.286 -8.486 -2.329 1.00 0.00 C ATOM 889 O VAL A 58 -1.303 -7.946 -1.895 1.00 0.00 O ATOM 890 CB VAL A 58 1.746 -7.788 -3.600 1.00 0.00 C ATOM 891 CG1 VAL A 58 0.765 -7.329 -4.668 1.00 0.00 C ATOM 892 CG2 VAL A 58 2.981 -6.902 -3.582 1.00 0.00 C ATOM 0 H VAL A 58 2.905 -8.465 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 58 0.929 -6.773 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 58 2.059 -8.804 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.259 -7.327 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.087 -8.009 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.418 -6.322 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.445 -6.905 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.694 -5.884 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.690 -7.281 -2.846 1.00 0.00 H new ATOM 902 N GLU A 59 -0.293 -9.679 -2.916 1.00 0.00 N ATOM 903 CA GLU A 59 -1.526 -10.438 -3.087 1.00 0.00 C ATOM 904 C GLU A 59 -2.646 -9.546 -3.615 1.00 0.00 C ATOM 905 O GLU A 59 -3.751 -9.532 -3.074 1.00 0.00 O ATOM 906 CB GLU A 59 -1.948 -11.074 -1.761 1.00 0.00 C ATOM 907 CG GLU A 59 -1.359 -12.456 -1.534 1.00 0.00 C ATOM 908 CD GLU A 59 -2.186 -13.555 -2.172 1.00 0.00 C ATOM 909 OE1 GLU A 59 -3.213 -13.944 -1.578 1.00 0.00 O ATOM 910 OE2 GLU A 59 -1.807 -14.025 -3.265 1.00 0.00 O ATOM 0 H GLU A 59 0.541 -10.140 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.338 -11.226 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.646 -10.421 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.035 -11.142 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.347 -12.486 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.280 -12.642 -0.463 1.00 0.00 H new ATOM 917 N MET A 60 -2.351 -8.801 -4.676 1.00 0.00 N ATOM 918 CA MET A 60 -3.332 -7.906 -5.278 1.00 0.00 C ATOM 919 C MET A 60 -4.236 -8.663 -6.246 1.00 0.00 C ATOM 920 O MET A 60 -5.410 -8.327 -6.407 1.00 0.00 O ATOM 921 CB MET A 60 -2.629 -6.761 -6.008 1.00 0.00 C ATOM 922 CG MET A 60 -2.126 -7.140 -7.392 1.00 0.00 C ATOM 923 SD MET A 60 -3.433 -7.130 -8.633 1.00 0.00 S ATOM 924 CE MET A 60 -4.196 -5.543 -8.309 1.00 0.00 C ATOM 0 H MET A 60 -1.441 -8.800 -5.136 1.00 0.00 H new ATOM 0 HA MET A 60 -3.949 -7.493 -4.480 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.318 -5.921 -6.098 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.787 -6.419 -5.405 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.341 -6.446 -7.692 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.676 -8.132 -7.352 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.780 -5.236 -9.176 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.850 -5.624 -7.441 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.422 -4.801 -8.112 1.00 0.00 H new ATOM 934 N HIS A 61 -3.683 -9.686 -6.889 1.00 0.00 N ATOM 935 CA HIS A 61 -4.440 -10.491 -7.841 1.00 0.00 C ATOM 936 C HIS A 61 -5.887 -10.651 -7.387 1.00 0.00 C ATOM 937 O HIS A 61 -6.816 -10.247 -8.086 1.00 0.00 O ATOM 938 CB HIS A 61 -3.791 -11.865 -8.010 1.00 0.00 C ATOM 939 CG HIS A 61 -4.081 -12.506 -9.332 1.00 0.00 C ATOM 940 ND1 HIS A 61 -5.359 -12.769 -9.777 1.00 0.00 N ATOM 941 CD2 HIS A 61 -3.248 -12.936 -10.309 1.00 0.00 C ATOM 942 CE1 HIS A 61 -5.300 -13.335 -10.969 1.00 0.00 C ATOM 943 NE2 HIS A 61 -4.030 -13.446 -11.315 1.00 0.00 N ATOM 0 H HIS A 61 -2.713 -9.977 -6.768 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.434 -9.975 -8.801 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.712 -11.765 -7.893 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.138 -12.522 -7.213 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.169 -12.887 -10.299 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.146 -13.653 -11.560 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.686 -13.846 -12.188 1.00 0.00 H new ATOM 952 N ASN A 62 -6.072 -11.244 -6.212 1.00 0.00 N ATOM 953 CA ASN A 62 -7.406 -11.459 -5.665 1.00 0.00 C ATOM 954 C ASN A 62 -8.303 -10.253 -5.929 1.00 0.00 C ATOM 955 O ASN A 62 -9.395 -10.387 -6.482 1.00 0.00 O ATOM 956 CB ASN A 62 -7.327 -11.729 -4.161 1.00 0.00 C ATOM 957 CG ASN A 62 -6.142 -12.602 -3.793 1.00 0.00 C ATOM 958 OD1 ASN A 62 -5.894 -13.630 -4.423 1.00 0.00 O ATOM 959 ND2 ASN A 62 -5.404 -12.195 -2.766 1.00 0.00 N ATOM 0 H ASN A 62 -5.314 -11.584 -5.620 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.838 -12.328 -6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.256 -10.781 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.247 -12.212 -3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.595 -12.742 -2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.647 -11.336 -2.272 1.00 0.00 H new ATOM 966 N TYR A 63 -7.834 -9.076 -5.530 1.00 0.00 N ATOM 967 CA TYR A 63 -8.594 -7.846 -5.722 1.00 0.00 C ATOM 968 C TYR A 63 -8.913 -7.627 -7.198 1.00 0.00 C ATOM 969 O TYR A 63 -8.354 -8.291 -8.071 1.00 0.00 O ATOM 970 CB TYR A 63 -7.814 -6.649 -5.175 1.00 0.00 C ATOM 971 CG TYR A 63 -7.620 -6.687 -3.676 1.00 0.00 C ATOM 972 CD1 TYR A 63 -6.520 -7.325 -3.114 1.00 0.00 C ATOM 973 CD2 TYR A 63 -8.536 -6.087 -2.821 1.00 0.00 C ATOM 974 CE1 TYR A 63 -6.339 -7.364 -1.745 1.00 0.00 C ATOM 975 CE2 TYR A 63 -8.362 -6.119 -1.451 1.00 0.00 C ATOM 976 CZ TYR A 63 -7.262 -6.758 -0.918 1.00 0.00 C ATOM 977 OH TYR A 63 -7.086 -6.794 0.446 1.00 0.00 O ATOM 0 H TYR A 63 -6.932 -8.947 -5.072 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.533 -7.940 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.838 -6.610 -5.658 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.338 -5.731 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.794 -7.798 -3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.399 -5.587 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.480 -7.866 -1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.083 -5.646 -0.801 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.264 -7.285 0.657 1.00 0.00 H new ATOM 987 N VAL A 64 -9.816 -6.690 -7.469 1.00 0.00 N ATOM 988 CA VAL A 64 -10.210 -6.381 -8.838 1.00 0.00 C ATOM 989 C VAL A 64 -10.439 -4.885 -9.019 1.00 0.00 C ATOM 990 O VAL A 64 -11.108 -4.232 -8.218 1.00 0.00 O ATOM 991 CB VAL A 64 -11.491 -7.137 -9.238 1.00 0.00 C ATOM 992 CG1 VAL A 64 -11.927 -6.743 -10.641 1.00 0.00 C ATOM 993 CG2 VAL A 64 -11.274 -8.640 -9.140 1.00 0.00 C ATOM 0 H VAL A 64 -10.289 -6.132 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.392 -6.701 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.287 -6.862 -8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.833 -7.287 -10.907 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.124 -5.671 -10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.136 -6.988 -11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.189 -9.159 -9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.465 -8.935 -9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.012 -8.904 -8.115 1.00 0.00 H new ATOM 1003 N PRO A 65 -9.870 -4.326 -10.098 1.00 0.00 N ATOM 1004 CA PRO A 65 -9.999 -2.899 -10.411 1.00 0.00 C ATOM 1005 C PRO A 65 -11.414 -2.526 -10.841 1.00 0.00 C ATOM 1006 O PRO A 65 -11.928 -3.043 -11.832 1.00 0.00 O ATOM 1007 CB PRO A 65 -9.018 -2.700 -11.569 1.00 0.00 C ATOM 1008 CG PRO A 65 -8.908 -4.042 -12.207 1.00 0.00 C ATOM 1009 CD PRO A 65 -9.059 -5.043 -11.096 1.00 0.00 C ATOM 0 HA PRO A 65 -9.790 -2.271 -9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.385 -1.955 -12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.049 -2.351 -11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.681 -4.179 -12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.947 -4.158 -12.709 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.554 -5.952 -11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.093 -5.341 -10.689 1.00 0.00 H new ATOM 1017 N ALA A 66 -12.037 -1.624 -10.090 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.391 -1.179 -10.396 1.00 0.00 C ATOM 1019 C ALA A 66 -13.452 0.338 -10.537 1.00 0.00 C ATOM 1020 O ALA A 66 -12.492 1.039 -10.219 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.357 -1.650 -9.319 1.00 0.00 C ATOM 0 H ALA A 66 -11.626 -1.187 -9.265 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.684 -1.618 -11.350 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.364 -1.311 -9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.343 -2.739 -9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.056 -1.238 -8.355 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.586 0.838 -11.017 1.00 0.00 N ATOM 1028 CA ASN A 67 -14.771 2.273 -11.201 1.00 0.00 C ATOM 1029 C ASN A 67 -15.968 2.775 -10.399 1.00 0.00 C ATOM 1030 O ASN A 67 -16.616 3.751 -10.776 1.00 0.00 O ATOM 1031 CB ASN A 67 -14.965 2.597 -12.684 1.00 0.00 C ATOM 1032 CG ASN A 67 -16.070 1.773 -13.316 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -17.177 2.264 -13.537 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -15.774 0.512 -13.610 1.00 0.00 N ATOM 0 H ASN A 67 -15.390 0.271 -11.285 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.876 2.779 -10.839 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -15.197 3.656 -12.794 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.031 2.418 -13.217 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.478 -0.091 -14.036 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.843 0.147 -13.409 1.00 0.00 H new ATOM 1041 N SER A 68 -16.255 2.100 -9.290 1.00 0.00 N ATOM 1042 CA SER A 68 -17.376 2.475 -8.436 1.00 0.00 C ATOM 1043 C SER A 68 -16.914 2.692 -6.998 1.00 0.00 C ATOM 1044 O SER A 68 -15.908 2.128 -6.565 1.00 0.00 O ATOM 1045 CB SER A 68 -18.459 1.396 -8.478 1.00 0.00 C ATOM 1046 OG SER A 68 -19.333 1.593 -9.576 1.00 0.00 O ATOM 0 H SER A 68 -15.727 1.291 -8.962 1.00 0.00 H new ATOM 0 HA SER A 68 -17.790 3.411 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.994 0.413 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.028 1.411 -7.549 1.00 0.00 H new ATOM 0 HG SER A 68 -20.015 0.889 -9.582 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.655 3.514 -6.264 1.00 0.00 N ATOM 1053 CA LEU A 69 -17.322 3.808 -4.874 1.00 0.00 C ATOM 1054 C LEU A 69 -17.418 2.552 -4.014 1.00 0.00 C ATOM 1055 O LEU A 69 -16.418 2.081 -3.473 1.00 0.00 O ATOM 1056 CB LEU A 69 -18.255 4.889 -4.323 1.00 0.00 C ATOM 1057 CG LEU A 69 -17.753 5.644 -3.092 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -16.538 6.489 -3.443 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -18.860 6.513 -2.512 1.00 0.00 C ATOM 0 H LEU A 69 -18.490 3.989 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.295 4.171 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.448 5.613 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.210 4.425 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.457 4.915 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.195 7.019 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.740 5.844 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.807 7.210 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.485 7.043 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -19.186 7.234 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -19.702 5.884 -2.223 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.628 2.013 -3.895 1.00 0.00 N ATOM 1072 CA GLN A 70 -18.853 0.811 -3.102 1.00 0.00 C ATOM 1073 C GLN A 70 -17.697 -0.171 -3.261 1.00 0.00 C ATOM 1074 O GLN A 70 -17.168 -0.686 -2.276 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.166 0.142 -3.513 1.00 0.00 C ATOM 1076 CG GLN A 70 -20.184 -0.326 -4.959 1.00 0.00 C ATOM 1077 CD GLN A 70 -21.509 -0.945 -5.356 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -22.045 -1.799 -4.650 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -22.047 -0.515 -6.492 1.00 0.00 N ATOM 0 H GLN A 70 -19.466 2.390 -4.337 1.00 0.00 H new ATOM 0 HA GLN A 70 -18.915 1.104 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.348 -0.712 -2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.986 0.843 -3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -19.972 0.520 -5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.387 -1.054 -5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -21.568 0.195 -7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -22.939 -0.895 -6.810 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.311 -0.425 -4.507 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.217 -1.347 -4.794 1.00 0.00 C ATOM 1090 C GLN A 71 -14.978 -0.991 -3.980 1.00 0.00 C ATOM 1091 O GLN A 71 -14.496 -1.793 -3.180 1.00 0.00 O ATOM 1092 CB GLN A 71 -15.885 -1.327 -6.287 1.00 0.00 C ATOM 1093 CG GLN A 71 -16.778 -2.231 -7.121 1.00 0.00 C ATOM 1094 CD GLN A 71 -16.926 -3.617 -6.526 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -18.030 -4.049 -6.194 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -15.810 -4.323 -6.386 1.00 0.00 N ATOM 0 H GLN A 71 -17.738 -0.006 -5.333 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.537 -2.351 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -15.971 -0.305 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.847 -1.629 -6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.763 -1.774 -7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.366 -2.314 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.916 -3.926 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.847 -5.262 -5.990 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.465 0.217 -4.190 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.281 0.681 -3.476 1.00 0.00 C ATOM 1107 C LYS A 72 -13.301 0.208 -2.026 1.00 0.00 C ATOM 1108 O LYS A 72 -12.462 -0.594 -1.612 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.197 2.208 -3.524 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.002 2.762 -4.925 1.00 0.00 C ATOM 1111 CD LYS A 72 -11.566 2.600 -5.394 1.00 0.00 C ATOM 1112 CE LYS A 72 -11.445 2.795 -6.898 1.00 0.00 C ATOM 1113 NZ LYS A 72 -11.539 4.231 -7.280 1.00 0.00 N ATOM 0 H LYS A 72 -14.851 0.893 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.403 0.260 -3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.109 2.627 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.372 2.538 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.671 2.250 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.274 3.817 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.931 3.322 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.204 1.608 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.493 2.389 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.231 2.233 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.841 4.307 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.233 4.708 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.609 4.682 -7.165 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.263 0.708 -1.258 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.392 0.335 0.146 1.00 0.00 C ATOM 1129 C LEU A 73 -14.266 -1.174 0.323 1.00 0.00 C ATOM 1130 O LEU A 73 -13.541 -1.649 1.197 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.736 0.814 0.699 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.759 2.232 1.271 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -17.163 2.604 1.721 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.777 2.357 2.427 1.00 0.00 C ATOM 0 H LEU A 73 -14.965 1.373 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.585 0.815 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.477 0.753 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.052 0.123 1.481 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.456 2.924 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.159 3.616 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.843 2.555 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.495 1.907 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.807 3.373 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.050 1.654 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.770 2.134 2.075 1.00 0.00 H new ATOM 1146 N SER A 74 -14.975 -1.925 -0.515 1.00 0.00 N ATOM 1147 CA SER A 74 -14.943 -3.381 -0.450 1.00 0.00 C ATOM 1148 C SER A 74 -13.506 -3.892 -0.417 1.00 0.00 C ATOM 1149 O SER A 74 -13.153 -4.730 0.412 1.00 0.00 O ATOM 1150 CB SER A 74 -15.683 -3.982 -1.647 1.00 0.00 C ATOM 1151 OG SER A 74 -16.149 -5.288 -1.355 1.00 0.00 O ATOM 0 H SER A 74 -15.578 -1.549 -1.246 1.00 0.00 H new ATOM 0 HA SER A 74 -15.441 -3.690 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.525 -3.344 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.019 -4.014 -2.511 1.00 0.00 H new ATOM 0 HG SER A 74 -16.620 -5.649 -2.135 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.682 -3.381 -1.325 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.283 -3.786 -1.401 1.00 0.00 C ATOM 1159 C ASN A 75 -10.507 -3.294 -0.183 1.00 0.00 C ATOM 1160 O ASN A 75 -9.934 -4.089 0.562 1.00 0.00 O ATOM 1161 CB ASN A 75 -10.642 -3.243 -2.681 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.310 -3.778 -3.933 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.310 -4.491 -3.861 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -10.756 -3.435 -5.091 1.00 0.00 N ATOM 0 H ASN A 75 -12.958 -2.686 -2.018 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.247 -4.875 -1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.698 -2.154 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.585 -3.507 -2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.160 -3.765 -5.967 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.927 -2.841 -5.104 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.495 -1.981 0.013 1.00 0.00 N ATOM 1172 CA TRP A 76 -9.791 -1.383 1.141 1.00 0.00 C ATOM 1173 C TRP A 76 -10.058 -2.162 2.424 1.00 0.00 C ATOM 1174 O TRP A 76 -9.136 -2.467 3.180 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.215 0.076 1.319 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.374 1.038 0.535 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.699 1.634 -0.650 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.068 1.513 0.881 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.674 2.452 -1.061 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.662 2.396 -0.140 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.203 1.281 1.954 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.430 3.043 -0.117 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -5.980 1.924 1.975 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.603 2.797 0.945 1.00 0.00 C ATOM 0 H TRP A 76 -10.965 -1.310 -0.595 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.722 -1.420 0.930 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.256 0.184 1.016 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.162 0.336 2.376 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.625 1.485 -1.185 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.668 3.011 -1.914 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.485 0.611 2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.137 3.716 -0.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.303 1.751 2.799 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.641 3.285 0.991 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.326 -2.483 2.664 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.690 -3.224 3.857 1.00 0.00 C ATOM 1197 C GLY A 77 -10.907 -4.514 4.001 1.00 0.00 C ATOM 1198 O GLY A 77 -10.341 -4.791 5.059 1.00 0.00 O ATOM 0 H GLY A 77 -12.107 -2.243 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.520 -2.600 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.756 -3.451 3.829 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.874 -5.306 2.934 1.00 0.00 N ATOM 1203 CA HIS A 78 -10.154 -6.575 2.946 1.00 0.00 C ATOM 1204 C HIS A 78 -8.667 -6.354 3.203 1.00 0.00 C ATOM 1205 O HIS A 78 -8.060 -7.038 4.029 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.350 -7.309 1.619 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.699 -7.946 1.480 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -12.245 -8.770 2.442 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.614 -7.874 0.485 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -13.436 -9.179 2.043 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -13.684 -8.649 0.859 1.00 0.00 N ATOM 0 H HIS A 78 -11.337 -5.092 2.051 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.557 -7.185 3.754 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.203 -6.606 0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.583 -8.077 1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.520 -7.312 -0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -14.095 -9.835 2.592 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -14.533 -8.792 0.311 1.00 0.00 H new ATOM 1220 N LEU A 79 -8.085 -5.395 2.492 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.667 -5.083 2.643 1.00 0.00 C ATOM 1222 C LEU A 79 -6.341 -4.719 4.087 1.00 0.00 C ATOM 1223 O LEU A 79 -5.199 -4.847 4.527 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.276 -3.933 1.713 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.782 -3.782 1.424 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.384 -4.620 0.219 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.427 -2.320 1.200 1.00 0.00 C ATOM 0 H LEU A 79 -8.572 -4.820 1.805 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.094 -5.970 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.797 -4.065 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.638 -3.001 2.148 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.226 -4.141 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.318 -4.500 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.601 -5.669 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.948 -4.292 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.360 -2.232 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.992 -1.934 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.674 -1.745 2.092 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.352 -4.265 4.821 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.173 -3.883 6.217 1.00 0.00 C ATOM 1241 C ASN A 80 -6.983 -5.115 7.097 1.00 0.00 C ATOM 1242 O ASN A 80 -6.334 -5.050 8.141 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.376 -3.074 6.704 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.173 -2.521 8.102 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.775 -3.243 9.016 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -8.446 -1.232 8.273 1.00 0.00 N ATOM 0 H ASN A 80 -8.304 -4.153 4.472 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.277 -3.266 6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.560 -2.251 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.264 -3.706 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.328 -0.803 9.191 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.774 -0.671 7.486 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.554 -6.235 6.669 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.449 -7.482 7.418 1.00 0.00 C ATOM 1255 C ARG A 81 -6.534 -8.471 6.702 1.00 0.00 C ATOM 1256 O ARG A 81 -6.344 -9.599 7.158 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.834 -8.102 7.615 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.749 -7.278 8.506 1.00 0.00 C ATOM 1259 CD ARG A 81 -9.164 -7.109 9.900 1.00 0.00 C ATOM 1260 NE ARG A 81 -10.119 -6.503 10.824 1.00 0.00 N ATOM 1261 CZ ARG A 81 -9.940 -6.457 12.140 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -8.848 -6.976 12.682 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -10.855 -5.888 12.915 1.00 0.00 N ATOM 0 H ARG A 81 -8.095 -6.305 5.807 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.018 -7.256 8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.307 -8.230 6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.720 -9.096 8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.911 -6.298 8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.723 -7.761 8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.855 -8.081 10.284 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.269 -6.489 9.845 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.970 -6.093 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.142 -7.412 12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.713 -6.939 13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.696 -5.486 12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.717 -5.853 13.925 1.00 0.00 H new ATOM 1277 N LYS A 82 -5.970 -8.041 5.579 1.00 0.00 N ATOM 1278 CA LYS A 82 -5.074 -8.887 4.799 1.00 0.00 C ATOM 1279 C LYS A 82 -3.655 -8.327 4.805 1.00 0.00 C ATOM 1280 O LYS A 82 -2.681 -9.080 4.810 1.00 0.00 O ATOM 1281 CB LYS A 82 -5.579 -9.009 3.360 1.00 0.00 C ATOM 1282 CG LYS A 82 -6.603 -10.114 3.167 1.00 0.00 C ATOM 1283 CD LYS A 82 -6.525 -10.709 1.771 1.00 0.00 C ATOM 1284 CE LYS A 82 -7.657 -11.694 1.520 1.00 0.00 C ATOM 1285 NZ LYS A 82 -8.876 -11.016 0.998 1.00 0.00 N ATOM 0 H LYS A 82 -6.117 -7.111 5.188 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.058 -9.876 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.020 -8.059 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.731 -9.192 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.438 -10.897 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.604 -9.718 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.566 -9.910 1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.567 -11.213 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.329 -12.451 0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.899 -12.213 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.624 -11.721 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.204 -10.312 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.652 -10.542 0.100 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.546 -7.003 4.807 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.246 -6.343 4.815 1.00 0.00 C ATOM 1301 C VAL A 83 -1.978 -5.674 6.159 1.00 0.00 C ATOM 1302 O VAL A 83 -1.153 -6.142 6.945 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.145 -5.286 3.699 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -0.853 -4.495 3.827 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.243 -5.945 2.332 1.00 0.00 C ATOM 0 H VAL A 83 -4.342 -6.366 4.803 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.498 -7.116 4.641 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.979 -4.592 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.800 -3.753 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.829 -3.991 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.003 -5.172 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.170 -5.184 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.431 -6.662 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.199 -6.462 2.245 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.680 -4.576 6.418 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.519 -3.842 7.668 1.00 0.00 C ATOM 1317 C LEU A 84 -2.297 -4.797 8.836 1.00 0.00 C ATOM 1318 O LEU A 84 -1.306 -4.692 9.559 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.748 -2.971 7.932 1.00 0.00 C ATOM 1320 CG LEU A 84 -4.116 -1.977 6.831 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.340 -1.166 7.230 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.942 -1.058 6.527 1.00 0.00 C ATOM 0 H LEU A 84 -3.366 -4.175 5.779 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.641 -3.202 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.602 -3.626 8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.583 -2.415 8.855 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.356 -2.538 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.587 -0.464 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.183 -1.837 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.129 -0.615 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.223 -0.357 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.671 -0.505 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.091 -1.653 6.196 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.226 -5.731 9.014 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.131 -6.708 10.092 1.00 0.00 C ATOM 1336 C LYS A 85 -1.716 -7.268 10.197 1.00 0.00 C ATOM 1337 O LYS A 85 -1.131 -7.302 11.279 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.126 -7.848 9.863 1.00 0.00 C ATOM 1339 CG LYS A 85 -4.376 -8.695 11.099 1.00 0.00 C ATOM 1340 CD LYS A 85 -4.889 -10.078 10.733 1.00 0.00 C ATOM 1341 CE LYS A 85 -5.580 -10.746 11.912 1.00 0.00 C ATOM 1342 NZ LYS A 85 -4.603 -11.360 12.852 1.00 0.00 N ATOM 0 H LYS A 85 -4.053 -5.832 8.425 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.373 -6.204 11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.073 -7.429 9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.754 -8.488 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.452 -8.788 11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.100 -8.196 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.586 -10.000 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.058 -10.699 10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.183 -10.010 12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.263 -11.513 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.113 -11.805 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.045 -12.080 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.967 -10.624 13.221 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.172 -7.703 9.065 1.00 0.00 N ATOM 1357 CA ARG A 86 0.175 -8.260 9.031 1.00 0.00 C ATOM 1358 C ARG A 86 1.202 -7.231 9.494 1.00 0.00 C ATOM 1359 O ARG A 86 2.238 -7.583 10.059 1.00 0.00 O ATOM 1360 CB ARG A 86 0.517 -8.736 7.618 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.515 -9.683 7.028 1.00 0.00 C ATOM 1362 CD ARG A 86 -0.479 -11.042 7.710 1.00 0.00 C ATOM 1363 NE ARG A 86 -1.618 -11.874 7.333 1.00 0.00 N ATOM 1364 CZ ARG A 86 -1.810 -13.107 7.788 1.00 0.00 C ATOM 1365 NH1 ARG A 86 -0.944 -13.648 8.633 1.00 0.00 N ATOM 1366 NH2 ARG A 86 -2.871 -13.802 7.398 1.00 0.00 N ATOM 0 H ARG A 86 -1.643 -7.681 8.160 1.00 0.00 H new ATOM 0 HA ARG A 86 0.206 -9.110 9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.617 -7.868 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.486 -9.234 7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.510 -9.249 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.330 -9.805 5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.447 -11.555 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.472 -10.905 8.791 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.304 -11.487 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.127 -13.117 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.094 -14.595 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.540 -13.389 6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.017 -14.749 7.748 1.00 0.00 H new ATOM 1380 N LEU A 87 0.907 -5.959 9.251 1.00 0.00 N ATOM 1381 CA LEU A 87 1.804 -4.877 9.643 1.00 0.00 C ATOM 1382 C LEU A 87 1.374 -4.268 10.974 1.00 0.00 C ATOM 1383 O LEU A 87 1.620 -3.092 11.237 1.00 0.00 O ATOM 1384 CB LEU A 87 1.836 -3.797 8.561 1.00 0.00 C ATOM 1385 CG LEU A 87 2.435 -4.211 7.216 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.842 -3.380 6.089 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.950 -4.073 7.242 1.00 0.00 C ATOM 0 H LEU A 87 0.054 -5.651 8.784 1.00 0.00 H new ATOM 0 HA LEU A 87 2.805 -5.293 9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.816 -3.451 8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.402 -2.947 8.942 1.00 0.00 H new ATOM 0 HG LEU A 87 2.188 -5.257 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.280 -3.689 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.763 -3.529 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.057 -2.326 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.359 -4.372 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.217 -3.036 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.360 -4.712 8.024 1.00 0.00 H new ATOM 1399 N ASN A 88 0.732 -5.078 11.810 1.00 0.00 N ATOM 1400 CA ASN A 88 0.269 -4.619 13.114 1.00 0.00 C ATOM 1401 C ASN A 88 -0.399 -3.252 13.004 1.00 0.00 C ATOM 1402 O ASN A 88 -0.394 -2.468 13.953 1.00 0.00 O ATOM 1403 CB ASN A 88 1.439 -4.549 14.098 1.00 0.00 C ATOM 1404 CG ASN A 88 2.046 -5.912 14.371 1.00 0.00 C ATOM 1405 OD1 ASN A 88 1.367 -6.935 14.288 1.00 0.00 O ATOM 1406 ND2 ASN A 88 3.333 -5.930 14.699 1.00 0.00 N ATOM 0 H ASN A 88 0.521 -6.055 11.607 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.466 -5.334 13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.206 -3.886 13.699 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.096 -4.112 15.036 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.797 -6.817 14.894 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.857 -5.057 14.756 1.00 0.00 H new ATOM 1413 N PHE A 89 -0.975 -2.973 11.839 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.648 -1.701 11.604 1.00 0.00 C ATOM 1415 C PHE A 89 -3.164 -1.873 11.637 1.00 0.00 C ATOM 1416 O PHE A 89 -3.695 -2.883 11.176 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.219 -1.114 10.257 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.259 0.387 10.218 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -0.153 1.133 10.593 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -2.403 1.052 9.805 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -0.187 2.514 10.557 1.00 0.00 C ATOM 1422 CE2 PHE A 89 -2.442 2.433 9.767 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.333 3.165 10.144 1.00 0.00 C ATOM 0 H PHE A 89 -0.989 -3.611 11.043 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.361 -1.014 12.400 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.207 -1.449 10.030 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.868 -1.507 9.475 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.746 0.629 10.917 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.273 0.485 9.510 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.682 3.084 10.852 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.339 2.939 9.443 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.362 4.244 10.116 1.00 0.00 H new ATOM 1433 N SER A 90 -3.854 -0.879 12.186 1.00 0.00 N ATOM 1434 CA SER A 90 -5.309 -0.921 12.284 1.00 0.00 C ATOM 1435 C SER A 90 -5.914 0.443 11.968 1.00 0.00 C ATOM 1436 O SER A 90 -5.372 1.480 12.351 1.00 0.00 O ATOM 1437 CB SER A 90 -5.734 -1.368 13.684 1.00 0.00 C ATOM 1438 OG SER A 90 -5.636 -2.775 13.821 1.00 0.00 O ATOM 0 H SER A 90 -3.430 -0.035 12.570 1.00 0.00 H new ATOM 0 HA SER A 90 -5.677 -1.641 11.553 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.106 -0.882 14.431 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.759 -1.051 13.875 1.00 0.00 H new ATOM 0 HG SER A 90 -5.030 -3.129 13.137 1.00 0.00 H new ATOM 1444 N VAL A 91 -7.042 0.434 11.265 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.724 1.670 10.897 1.00 0.00 C ATOM 1446 C VAL A 91 -9.236 1.517 11.010 1.00 0.00 C ATOM 1447 O VAL A 91 -9.824 0.541 10.543 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.368 2.101 9.461 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -8.147 3.347 9.070 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.871 2.334 9.331 1.00 0.00 C ATOM 0 H VAL A 91 -7.503 -0.415 10.939 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.386 2.438 11.593 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.647 1.298 8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.883 3.637 8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.216 3.139 9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.901 4.159 9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.637 2.638 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.563 3.118 10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.338 1.413 9.567 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.885 2.506 11.645 1.00 0.00 N ATOM 1461 CA PRO A 92 -11.338 2.506 11.833 1.00 0.00 C ATOM 1462 C PRO A 92 -12.093 2.718 10.525 1.00 0.00 C ATOM 1463 O PRO A 92 -11.627 3.435 9.639 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.573 3.683 12.783 1.00 0.00 C ATOM 1465 CG PRO A 92 -10.414 4.591 12.555 1.00 0.00 C ATOM 1466 CD PRO A 92 -9.248 3.699 12.226 1.00 0.00 C ATOM 0 HA PRO A 92 -11.699 1.552 12.217 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.517 4.184 12.567 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.618 3.352 13.820 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.617 5.285 11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.208 5.191 13.441 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.565 4.174 11.521 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.668 3.452 13.115 1.00 0.00 H new ATOM 1474 N ASP A 93 -13.259 2.092 10.412 1.00 0.00 N ATOM 1475 CA ASP A 93 -14.079 2.214 9.212 1.00 0.00 C ATOM 1476 C ASP A 93 -14.282 3.680 8.840 1.00 0.00 C ATOM 1477 O ASP A 93 -14.263 4.040 7.663 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.433 1.536 9.423 1.00 0.00 C ATOM 1479 CG ASP A 93 -16.068 1.093 8.120 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -16.797 1.903 7.508 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -15.835 -0.064 7.710 1.00 0.00 O ATOM 0 H ASP A 93 -13.658 1.495 11.136 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.558 1.719 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.305 0.671 10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.105 2.224 9.936 1.00 0.00 H new ATOM 1486 N ASP A 94 -14.478 4.520 9.850 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.685 5.946 9.630 1.00 0.00 C ATOM 1488 C ASP A 94 -13.602 6.518 8.721 1.00 0.00 C ATOM 1489 O ASP A 94 -13.897 7.126 7.692 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.697 6.694 10.964 1.00 0.00 C ATOM 1491 CG ASP A 94 -15.802 6.217 11.885 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -16.986 6.361 11.516 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -15.483 5.699 12.975 1.00 0.00 O ATOM 0 H ASP A 94 -14.498 4.238 10.830 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.651 6.077 9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.734 6.564 11.459 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.818 7.761 10.778 1.00 0.00 H new ATOM 1498 N VAL A 95 -12.346 6.321 9.109 1.00 0.00 N ATOM 1499 CA VAL A 95 -11.218 6.817 8.329 1.00 0.00 C ATOM 1500 C VAL A 95 -11.236 6.250 6.914 1.00 0.00 C ATOM 1501 O VAL A 95 -10.930 6.951 5.950 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.875 6.461 8.996 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.711 6.930 8.136 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.796 7.065 10.390 1.00 0.00 C ATOM 0 H VAL A 95 -12.084 5.821 9.959 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.317 7.902 8.284 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.812 5.377 9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.771 6.670 8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.761 6.446 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.766 8.011 8.007 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.841 6.804 10.846 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.881 8.150 10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -10.609 6.675 11.002 1.00 0.00 H new ATOM 1514 N MET A 96 -11.597 4.977 6.797 1.00 0.00 N ATOM 1515 CA MET A 96 -11.657 4.316 5.499 1.00 0.00 C ATOM 1516 C MET A 96 -12.709 4.966 4.606 1.00 0.00 C ATOM 1517 O MET A 96 -12.455 5.248 3.435 1.00 0.00 O ATOM 1518 CB MET A 96 -11.968 2.828 5.673 1.00 0.00 C ATOM 1519 CG MET A 96 -10.900 2.070 6.444 1.00 0.00 C ATOM 1520 SD MET A 96 -10.847 0.319 6.019 1.00 0.00 S ATOM 1521 CE MET A 96 -11.693 -0.397 7.426 1.00 0.00 C ATOM 0 H MET A 96 -11.852 4.382 7.585 1.00 0.00 H new ATOM 0 HA MET A 96 -10.683 4.422 5.021 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.922 2.723 6.190 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.087 2.373 4.690 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.927 2.518 6.244 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.086 2.175 7.513 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.513 -1.472 7.451 1.00 0.00 H new ATOM 0 HE2 MET A 96 -11.319 0.055 8.344 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.764 -0.211 7.340 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.891 5.201 5.167 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.982 5.817 4.420 1.00 0.00 C ATOM 1533 C ARG A 97 -14.509 7.083 3.713 1.00 0.00 C ATOM 1534 O ARG A 97 -14.941 7.383 2.599 1.00 0.00 O ATOM 1535 CB ARG A 97 -16.146 6.147 5.356 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.989 4.938 5.729 1.00 0.00 C ATOM 1537 CD ARG A 97 -18.239 5.345 6.493 1.00 0.00 C ATOM 1538 NE ARG A 97 -19.354 5.645 5.598 1.00 0.00 N ATOM 1539 CZ ARG A 97 -20.506 6.164 6.007 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -20.694 6.440 7.290 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -21.473 6.408 5.132 1.00 0.00 N ATOM 0 H ARG A 97 -14.118 4.974 6.135 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.321 5.106 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.752 6.600 6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.784 6.892 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.273 4.398 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.397 4.253 6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.526 4.543 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.021 6.220 7.106 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.242 5.445 4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -19.953 6.254 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.580 6.839 7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -21.332 6.197 4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -22.357 6.807 5.447 1.00 0.00 H new ATOM 1555 N LYS A 98 -13.621 7.824 4.367 1.00 0.00 N ATOM 1556 CA LYS A 98 -13.089 9.058 3.801 1.00 0.00 C ATOM 1557 C LYS A 98 -12.083 8.760 2.694 1.00 0.00 C ATOM 1558 O LYS A 98 -12.133 9.359 1.619 1.00 0.00 O ATOM 1559 CB LYS A 98 -12.425 9.899 4.894 1.00 0.00 C ATOM 1560 CG LYS A 98 -13.267 10.037 6.151 1.00 0.00 C ATOM 1561 CD LYS A 98 -12.459 10.609 7.303 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.537 12.128 7.338 1.00 0.00 C ATOM 1563 NZ LYS A 98 -12.082 12.736 6.057 1.00 0.00 N ATOM 0 H LYS A 98 -13.254 7.591 5.290 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.919 9.619 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.467 9.449 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.213 10.892 4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.121 10.683 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.664 9.062 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -12.828 10.203 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.418 10.299 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.563 12.434 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.924 12.504 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.506 13.578 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.513 12.045 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.909 13.010 5.490 1.00 0.00 H new ATOM 1577 N ILE A 99 -11.172 7.830 2.963 1.00 0.00 N ATOM 1578 CA ILE A 99 -10.157 7.451 1.988 1.00 0.00 C ATOM 1579 C ILE A 99 -10.778 7.201 0.617 1.00 0.00 C ATOM 1580 O ILE A 99 -10.376 7.806 -0.377 1.00 0.00 O ATOM 1581 CB ILE A 99 -9.394 6.189 2.431 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -8.469 6.513 3.606 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -8.600 5.614 1.267 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.897 5.285 4.280 1.00 0.00 C ATOM 0 H ILE A 99 -11.116 7.326 3.848 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.457 8.284 1.921 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.116 5.441 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.649 7.138 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.021 7.098 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.066 4.722 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.280 5.351 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.884 6.356 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.251 5.590 5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.710 4.669 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.317 4.710 3.558 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.760 6.307 0.573 1.00 0.00 N ATOM 1597 CA ALA A 100 -12.439 5.980 -0.675 1.00 0.00 C ATOM 1598 C ALA A 100 -13.056 7.224 -1.307 1.00 0.00 C ATOM 1599 O ALA A 100 -13.183 7.312 -2.528 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.507 4.923 -0.434 1.00 0.00 C ATOM 0 H ALA A 100 -12.103 5.796 1.387 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.699 5.581 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -14.006 4.689 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -13.043 4.021 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -14.238 5.301 0.280 1.00 0.00 H new ATOM 1606 N GLN A 101 -13.439 8.180 -0.467 1.00 0.00 N ATOM 1607 CA GLN A 101 -14.044 9.418 -0.945 1.00 0.00 C ATOM 1608 C GLN A 101 -12.983 10.368 -1.491 1.00 0.00 C ATOM 1609 O GLN A 101 -13.269 11.528 -1.787 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.823 10.098 0.183 1.00 0.00 C ATOM 1611 CG GLN A 101 -16.215 9.525 0.392 1.00 0.00 C ATOM 1612 CD GLN A 101 -17.266 10.225 -0.446 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -18.060 11.016 0.066 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -17.278 9.938 -1.743 1.00 0.00 N ATOM 0 H GLN A 101 -13.341 8.121 0.547 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.732 9.168 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.258 10.006 1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.906 11.163 -0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.207 8.463 0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -16.483 9.606 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -16.602 9.277 -2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -17.963 10.379 -2.357 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.759 9.868 -1.621 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.655 10.672 -2.130 1.00 0.00 C ATOM 1625 C CYS A 102 -10.376 11.857 -1.211 1.00 0.00 C ATOM 1626 O CYS A 102 -10.202 12.985 -1.671 1.00 0.00 O ATOM 1627 CB CYS A 102 -10.968 11.170 -3.542 1.00 0.00 C ATOM 1628 SG CYS A 102 -10.599 9.972 -4.845 1.00 0.00 S ATOM 0 H CYS A 102 -11.507 8.909 -1.381 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.765 10.043 -2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.024 11.436 -3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -10.399 12.081 -3.729 1.00 0.00 H new ATOM 0 HG CYS A 102 -10.899 10.483 -6.002 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.337 11.593 0.091 1.00 0.00 N ATOM 1635 CA ALA A 103 -10.079 12.637 1.075 1.00 0.00 C ATOM 1636 C ALA A 103 -8.613 13.056 1.059 1.00 0.00 C ATOM 1637 O ALA A 103 -7.709 12.249 1.272 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.479 12.163 2.465 1.00 0.00 C ATOM 0 H ALA A 103 -10.481 10.665 0.489 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.681 13.506 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.281 12.953 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.541 11.920 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.902 11.277 2.727 1.00 0.00 H new ATOM 1644 N PRO A 104 -8.370 14.350 0.799 1.00 0.00 N ATOM 1645 CA PRO A 104 -7.014 14.906 0.749 1.00 0.00 C ATOM 1646 C PRO A 104 -6.357 14.957 2.124 1.00 0.00 C ATOM 1647 O PRO A 104 -6.684 15.811 2.947 1.00 0.00 O ATOM 1648 CB PRO A 104 -7.231 16.321 0.207 1.00 0.00 C ATOM 1649 CG PRO A 104 -8.632 16.661 0.586 1.00 0.00 C ATOM 1650 CD PRO A 104 -9.399 15.369 0.536 1.00 0.00 C ATOM 0 HA PRO A 104 -6.347 14.298 0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.521 17.025 0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -7.093 16.356 -0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.671 17.100 1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.056 17.393 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -10.191 15.343 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.873 15.220 -0.434 1.00 0.00 H new ATOM 1658 N GLY A 105 -5.428 14.037 2.366 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.740 13.995 3.643 1.00 0.00 C ATOM 1660 C GLY A 105 -4.977 12.696 4.387 1.00 0.00 C ATOM 1661 O GLY A 105 -4.031 11.984 4.725 1.00 0.00 O ATOM 0 H GLY A 105 -5.140 13.320 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.670 14.127 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.074 14.829 4.260 1.00 0.00 H new ATOM 1665 N VAL A 106 -6.243 12.386 4.645 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.602 11.164 5.356 1.00 0.00 C ATOM 1667 C VAL A 106 -5.767 9.983 4.873 1.00 0.00 C ATOM 1668 O VAL A 106 -5.130 9.293 5.669 1.00 0.00 O ATOM 1669 CB VAL A 106 -8.095 10.830 5.179 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.466 9.599 5.991 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.957 12.019 5.573 1.00 0.00 C ATOM 0 H VAL A 106 -7.038 12.964 4.372 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.400 11.341 6.412 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.279 10.611 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.525 9.378 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.871 8.749 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.268 9.786 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.009 11.765 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.772 12.272 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.708 12.873 4.943 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.773 9.757 3.563 1.00 0.00 N ATOM 1682 CA VAL A 107 -5.015 8.660 2.973 1.00 0.00 C ATOM 1683 C VAL A 107 -3.527 8.796 3.275 1.00 0.00 C ATOM 1684 O VAL A 107 -2.870 7.827 3.654 1.00 0.00 O ATOM 1685 CB VAL A 107 -5.215 8.596 1.448 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.666 9.850 0.784 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.558 7.349 0.876 1.00 0.00 C ATOM 0 H VAL A 107 -6.294 10.319 2.890 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.391 7.739 3.419 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.284 8.543 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.816 9.787 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.187 10.725 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.601 9.938 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.709 7.320 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.490 7.369 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.003 6.463 1.329 1.00 0.00 H new ATOM 1697 N GLU A 108 -3.002 10.005 3.104 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.590 10.268 3.357 1.00 0.00 C ATOM 1699 C GLU A 108 -1.210 9.867 4.780 1.00 0.00 C ATOM 1700 O GLU A 108 -0.208 9.184 4.997 1.00 0.00 O ATOM 1701 CB GLU A 108 -1.275 11.748 3.130 1.00 0.00 C ATOM 1702 CG GLU A 108 -0.899 12.077 1.696 1.00 0.00 C ATOM 1703 CD GLU A 108 -2.087 12.023 0.754 1.00 0.00 C ATOM 1704 OE1 GLU A 108 -3.127 12.634 1.077 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -1.976 11.369 -0.304 1.00 0.00 O ATOM 0 H GLU A 108 -3.533 10.818 2.791 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.004 9.669 2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.143 12.343 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.457 12.042 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.456 13.072 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.137 11.377 1.354 1.00 0.00 H new ATOM 1712 N LEU A 109 -2.015 10.298 5.745 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.763 9.986 7.147 1.00 0.00 C ATOM 1714 C LEU A 109 -1.533 8.490 7.339 1.00 0.00 C ATOM 1715 O LEU A 109 -0.979 8.062 8.352 1.00 0.00 O ATOM 1716 CB LEU A 109 -2.937 10.448 8.012 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.122 11.960 8.141 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.275 12.279 9.079 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -1.838 12.614 8.630 1.00 0.00 C ATOM 0 H LEU A 109 -2.848 10.864 5.582 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.862 10.516 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.853 10.024 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.812 10.031 9.011 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.360 12.363 7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.391 13.360 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.194 11.843 8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.068 11.863 10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.988 13.690 8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.570 12.206 9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.035 12.415 7.920 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.960 7.700 6.359 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.798 6.253 6.419 1.00 0.00 C ATOM 1733 C VAL A 110 -0.608 5.798 5.582 1.00 0.00 C ATOM 1734 O VAL A 110 0.011 4.772 5.867 1.00 0.00 O ATOM 1735 CB VAL A 110 -3.064 5.525 5.928 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.941 4.026 6.155 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.299 6.078 6.623 1.00 0.00 C ATOM 0 H VAL A 110 -2.421 8.038 5.514 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.623 5.998 7.464 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.169 5.698 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.845 3.529 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.079 3.645 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.811 3.829 7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.184 5.553 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.204 5.937 7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.395 7.141 6.404 1.00 0.00 H new ATOM 1747 N LEU A 111 -0.290 6.569 4.547 1.00 0.00 N ATOM 1748 CA LEU A 111 0.828 6.247 3.668 1.00 0.00 C ATOM 1749 C LEU A 111 2.161 6.527 4.356 1.00 0.00 C ATOM 1750 O LEU A 111 3.138 5.806 4.152 1.00 0.00 O ATOM 1751 CB LEU A 111 0.731 7.053 2.371 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.542 6.852 1.549 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.568 7.804 0.363 1.00 0.00 C ATOM 1754 CD2 LEU A 111 -0.649 5.408 1.078 1.00 0.00 C ATOM 0 H LEU A 111 -0.791 7.421 4.297 1.00 0.00 H new ATOM 0 HA LEU A 111 0.778 5.184 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.817 8.111 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.587 6.801 1.745 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.400 7.072 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.482 7.646 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.538 8.833 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.297 7.616 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.561 5.282 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.214 5.162 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.677 4.744 1.942 1.00 0.00 H new ATOM 1766 N ILE A 112 2.191 7.575 5.172 1.00 0.00 N ATOM 1767 CA ILE A 112 3.402 7.947 5.892 1.00 0.00 C ATOM 1768 C ILE A 112 3.934 6.778 6.714 1.00 0.00 C ATOM 1769 O ILE A 112 5.071 6.337 6.548 1.00 0.00 O ATOM 1770 CB ILE A 112 3.155 9.146 6.826 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.426 10.459 6.089 1.00 0.00 C ATOM 1772 CG2 ILE A 112 4.029 9.039 8.067 1.00 0.00 C ATOM 1773 CD1 ILE A 112 2.859 11.674 6.790 1.00 0.00 C ATOM 0 H ILE A 112 1.391 8.181 5.351 1.00 0.00 H new ATOM 0 HA ILE A 112 4.142 8.227 5.142 1.00 0.00 H new ATOM 0 HB ILE A 112 2.111 9.135 7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.502 10.586 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.003 10.398 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.843 9.894 8.718 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.792 8.118 8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.079 9.028 7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.089 12.568 6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.778 11.569 6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.301 11.761 7.783 1.00 0.00 H new ATOM 1785 N PRO A 113 3.092 6.260 7.621 1.00 0.00 N ATOM 1786 CA PRO A 113 3.454 5.133 8.485 1.00 0.00 C ATOM 1787 C PRO A 113 3.579 3.826 7.711 1.00 0.00 C ATOM 1788 O PRO A 113 4.448 3.002 7.999 1.00 0.00 O ATOM 1789 CB PRO A 113 2.291 5.059 9.477 1.00 0.00 C ATOM 1790 CG PRO A 113 1.139 5.668 8.756 1.00 0.00 C ATOM 1791 CD PRO A 113 1.721 6.736 7.872 1.00 0.00 C ATOM 0 HA PRO A 113 4.426 5.277 8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.079 4.029 9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.517 5.604 10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.608 4.920 8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.419 6.091 9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.157 6.843 6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.717 7.710 8.362 1.00 0.00 H new ATOM 1799 N LEU A 114 2.705 3.641 6.727 1.00 0.00 N ATOM 1800 CA LEU A 114 2.718 2.432 5.910 1.00 0.00 C ATOM 1801 C LEU A 114 4.142 2.061 5.508 1.00 0.00 C ATOM 1802 O LEU A 114 4.606 0.954 5.781 1.00 0.00 O ATOM 1803 CB LEU A 114 1.858 2.629 4.661 1.00 0.00 C ATOM 1804 CG LEU A 114 1.803 1.448 3.691 1.00 0.00 C ATOM 1805 CD1 LEU A 114 1.178 0.235 4.362 1.00 0.00 C ATOM 1806 CD2 LEU A 114 1.029 1.824 2.436 1.00 0.00 C ATOM 0 H LEU A 114 1.979 4.312 6.476 1.00 0.00 H new ATOM 0 HA LEU A 114 2.305 1.617 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.841 2.861 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.231 3.500 4.121 1.00 0.00 H new ATOM 0 HG LEU A 114 2.822 1.192 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.147 -0.595 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.774 -0.048 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.164 0.478 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.000 0.972 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.012 2.107 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.520 2.663 1.944 1.00 0.00 H new ATOM 1818 N ARG A 115 4.830 2.995 4.860 1.00 0.00 N ATOM 1819 CA ARG A 115 6.201 2.767 4.421 1.00 0.00 C ATOM 1820 C ARG A 115 7.112 2.479 5.611 1.00 0.00 C ATOM 1821 O ARG A 115 7.875 1.513 5.601 1.00 0.00 O ATOM 1822 CB ARG A 115 6.722 3.982 3.650 1.00 0.00 C ATOM 1823 CG ARG A 115 8.179 3.861 3.235 1.00 0.00 C ATOM 1824 CD ARG A 115 8.827 5.227 3.073 1.00 0.00 C ATOM 1825 NE ARG A 115 10.272 5.129 2.888 1.00 0.00 N ATOM 1826 CZ ARG A 115 11.113 6.131 3.120 1.00 0.00 C ATOM 1827 NH1 ARG A 115 10.654 7.301 3.544 1.00 0.00 N ATOM 1828 NH2 ARG A 115 12.415 5.965 2.928 1.00 0.00 N ATOM 0 H ARG A 115 4.460 3.917 4.627 1.00 0.00 H new ATOM 0 HA ARG A 115 6.205 1.898 3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 115 6.110 4.126 2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.602 4.872 4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.725 3.285 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 115 8.247 3.311 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.386 5.738 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 115 8.615 5.835 3.952 1.00 0.00 H new ATOM 0 HE ARG A 115 10.657 4.242 2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.654 7.433 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 115 11.302 8.069 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 115 12.772 5.067 2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 115 13.059 6.735 3.107 1.00 0.00 H new ATOM 1842 N GLN A 116 7.026 3.323 6.634 1.00 0.00 N ATOM 1843 CA GLN A 116 7.843 3.159 7.830 1.00 0.00 C ATOM 1844 C GLN A 116 7.814 1.713 8.315 1.00 0.00 C ATOM 1845 O GLN A 116 8.849 1.143 8.661 1.00 0.00 O ATOM 1846 CB GLN A 116 7.354 4.092 8.939 1.00 0.00 C ATOM 1847 CG GLN A 116 7.667 5.557 8.683 1.00 0.00 C ATOM 1848 CD GLN A 116 7.660 6.386 9.953 1.00 0.00 C ATOM 1849 OE1 GLN A 116 7.920 5.875 11.042 1.00 0.00 O ATOM 1850 NE2 GLN A 116 7.362 7.673 9.818 1.00 0.00 N ATOM 0 H GLN A 116 6.399 4.127 6.658 1.00 0.00 H new ATOM 0 HA GLN A 116 8.871 3.417 7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.276 3.974 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.809 3.791 9.883 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.644 5.638 8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 116 6.936 5.964 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.153 8.054 8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.342 8.281 10.637 1.00 0.00 H new ATOM 1859 N ARG A 117 6.622 1.126 8.338 1.00 0.00 N ATOM 1860 CA ARG A 117 6.457 -0.252 8.783 1.00 0.00 C ATOM 1861 C ARG A 117 7.177 -1.216 7.844 1.00 0.00 C ATOM 1862 O ARG A 117 8.010 -2.014 8.275 1.00 0.00 O ATOM 1863 CB ARG A 117 4.972 -0.612 8.860 1.00 0.00 C ATOM 1864 CG ARG A 117 4.222 0.131 9.953 1.00 0.00 C ATOM 1865 CD ARG A 117 4.519 -0.449 11.327 1.00 0.00 C ATOM 1866 NE ARG A 117 4.122 -1.851 11.426 1.00 0.00 N ATOM 1867 CZ ARG A 117 4.606 -2.689 12.336 1.00 0.00 C ATOM 1868 NH1 ARG A 117 5.499 -2.269 13.221 1.00 0.00 N ATOM 1869 NH2 ARG A 117 4.196 -3.951 12.363 1.00 0.00 N ATOM 0 H ARG A 117 5.756 1.584 8.053 1.00 0.00 H new ATOM 0 HA ARG A 117 6.897 -0.342 9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.504 -0.397 7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.875 -1.684 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.500 1.185 9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.151 0.080 9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.585 -0.358 11.536 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.995 0.131 12.086 1.00 0.00 H new ATOM 0 HE ARG A 117 3.436 -2.206 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.816 -1.300 13.205 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.869 -2.915 13.918 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.508 -4.278 11.684 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.568 -4.593 13.062 1.00 0.00 H new ATOM 1883 N LEU A 118 6.850 -1.136 6.559 1.00 0.00 N ATOM 1884 CA LEU A 118 7.464 -2.001 5.557 1.00 0.00 C ATOM 1885 C LEU A 118 8.955 -2.174 5.829 1.00 0.00 C ATOM 1886 O LEU A 118 9.493 -3.275 5.712 1.00 0.00 O ATOM 1887 CB LEU A 118 7.253 -1.423 4.157 1.00 0.00 C ATOM 1888 CG LEU A 118 5.831 -1.514 3.601 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.620 -0.483 2.503 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.552 -2.916 3.078 1.00 0.00 C ATOM 0 H LEU A 118 6.163 -0.481 6.186 1.00 0.00 H new ATOM 0 HA LEU A 118 6.986 -2.979 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.550 -0.374 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.924 -1.936 3.469 1.00 0.00 H new ATOM 0 HG LEU A 118 5.131 -1.302 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.603 -0.563 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.778 0.517 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.328 -0.663 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.536 -2.963 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.259 -3.155 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.661 -3.635 3.889 1.00 0.00 H new ATOM 1902 N GLU A 119 9.616 -1.080 6.194 1.00 0.00 N ATOM 1903 CA GLU A 119 11.045 -1.113 6.483 1.00 0.00 C ATOM 1904 C GLU A 119 11.324 -1.908 7.755 1.00 0.00 C ATOM 1905 O GLU A 119 12.248 -2.720 7.801 1.00 0.00 O ATOM 1906 CB GLU A 119 11.591 0.309 6.627 1.00 0.00 C ATOM 1907 CG GLU A 119 11.691 1.059 5.309 1.00 0.00 C ATOM 1908 CD GLU A 119 13.023 0.846 4.617 1.00 0.00 C ATOM 1909 OE1 GLU A 119 14.008 0.521 5.313 1.00 0.00 O ATOM 1910 OE2 GLU A 119 13.081 1.005 3.380 1.00 0.00 O ATOM 0 H GLU A 119 9.185 -0.161 6.297 1.00 0.00 H new ATOM 0 HA GLU A 119 11.547 -1.605 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.948 0.869 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.579 0.265 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.887 0.735 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.546 2.124 5.489 1.00 0.00 H new ATOM 1917 N GLU A 120 10.519 -1.667 8.786 1.00 0.00 N ATOM 1918 CA GLU A 120 10.681 -2.360 10.059 1.00 0.00 C ATOM 1919 C GLU A 120 10.901 -3.854 9.841 1.00 0.00 C ATOM 1920 O GLU A 120 11.752 -4.467 10.485 1.00 0.00 O ATOM 1921 CB GLU A 120 9.454 -2.137 10.945 1.00 0.00 C ATOM 1922 CG GLU A 120 9.761 -2.184 12.433 1.00 0.00 C ATOM 1923 CD GLU A 120 8.510 -2.275 13.284 1.00 0.00 C ATOM 1924 OE1 GLU A 120 7.914 -1.218 13.578 1.00 0.00 O ATOM 1925 OE2 GLU A 120 8.126 -3.404 13.656 1.00 0.00 O ATOM 0 H GLU A 120 9.749 -0.998 8.764 1.00 0.00 H new ATOM 0 HA GLU A 120 11.560 -1.951 10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.013 -1.170 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.706 -2.895 10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.401 -3.042 12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.322 -1.292 12.713 1.00 0.00 H new ATOM 1932 N ARG A 121 10.126 -4.433 8.930 1.00 0.00 N ATOM 1933 CA ARG A 121 10.233 -5.856 8.629 1.00 0.00 C ATOM 1934 C ARG A 121 11.561 -6.167 7.945 1.00 0.00 C ATOM 1935 O ARG A 121 12.214 -7.162 8.261 1.00 0.00 O ATOM 1936 CB ARG A 121 9.072 -6.299 7.737 1.00 0.00 C ATOM 1937 CG ARG A 121 7.855 -6.773 8.514 1.00 0.00 C ATOM 1938 CD ARG A 121 6.904 -7.565 7.630 1.00 0.00 C ATOM 1939 NE ARG A 121 7.352 -8.942 7.441 1.00 0.00 N ATOM 1940 CZ ARG A 121 6.800 -9.782 6.572 1.00 0.00 C ATOM 1941 NH1 ARG A 121 5.785 -9.387 5.817 1.00 0.00 N ATOM 1942 NH2 ARG A 121 7.264 -11.020 6.458 1.00 0.00 N ATOM 0 H ARG A 121 9.417 -3.939 8.388 1.00 0.00 H new ATOM 0 HA ARG A 121 10.190 -6.406 9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.781 -5.468 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 121 9.412 -7.103 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 121 8.175 -7.392 9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 121 7.333 -5.913 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 121 5.910 -7.565 8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 121 6.818 -7.075 6.660 1.00 0.00 H new ATOM 0 HE ARG A 121 8.131 -9.277 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.426 -8.436 5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 121 5.363 -10.034 5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 121 8.045 -11.327 7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.840 -11.664 5.791 1.00 0.00 H new ATOM 1956 N GLN A 122 11.954 -5.311 7.008 1.00 0.00 N ATOM 1957 CA GLN A 122 13.203 -5.496 6.279 1.00 0.00 C ATOM 1958 C GLN A 122 14.292 -6.043 7.196 1.00 0.00 C ATOM 1959 O GLN A 122 14.933 -7.047 6.885 1.00 0.00 O ATOM 1960 CB GLN A 122 13.658 -4.173 5.660 1.00 0.00 C ATOM 1961 CG GLN A 122 14.532 -4.347 4.428 1.00 0.00 C ATOM 1962 CD GLN A 122 15.064 -3.029 3.900 1.00 0.00 C ATOM 1963 OE1 GLN A 122 15.039 -2.013 4.595 1.00 0.00 O ATOM 1964 NE2 GLN A 122 15.551 -3.040 2.665 1.00 0.00 N ATOM 0 H GLN A 122 11.425 -4.482 6.736 1.00 0.00 H new ATOM 0 HA GLN A 122 13.026 -6.219 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 122 12.780 -3.586 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 122 14.208 -3.602 6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 122 15.369 -5.002 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 122 13.957 -4.842 3.646 1.00 0.00 H new ATOM 0 HE21 GLN A 122 15.552 -3.905 2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 122 15.924 -2.183 2.256 1.00 0.00 H new