USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=12 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= -4.02! C(o=-4.7!,f=-3.5!) USER MOD Set 1.2: A 96 MET CE :methyl -169:sc= -0.653 (180deg=0) USER MOD Set 2.1: A 71 GLN : amide:sc= -1.43 K(o=-1.6,f=-10!) USER MOD Set 2.2: A 75 ASN : amide:sc= -0.169 K(o=-1.6,f=-10!) USER MOD Set 3.1: A 41 SER OG : rot -164:sc= 1.1 USER MOD Set 3.2: A 102 CYS SG : rot 180:sc= -2.1! USER MOD Single : A 19 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.097) USER MOD Single : A 21 TYR OH : rot 9:sc= 0.134 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=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 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 142:sc=-0.00016 (180deg=-0.0946) USER MOD Single : A 60 MET CE :methyl -131:sc= -0.167 (180deg=-3.03!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.097) USER MOD Single : A 62 ASN : amide:sc=-0.00263 X(o=-0.0026,f=-0.19) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.185 K(o=-0.19,f=-1.5!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.859 USER MOD Single : A 70 GLN : amide:sc= -0.962 K(o=-0.96,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.352 (180deg=-1.46!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.054) 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= -0.537 K(o=-0.54,f=-3.3!) 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= -0.373 X(o=-0.37,f=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 7.573 15.045 1.029 1.00 0.00 N ATOM 221 CA GLN A 19 8.553 13.996 1.282 1.00 0.00 C ATOM 222 C GLN A 19 7.957 12.618 1.013 1.00 0.00 C ATOM 223 O GLN A 19 8.652 11.708 0.558 1.00 0.00 O ATOM 224 CB GLN A 19 9.055 14.075 2.725 1.00 0.00 C ATOM 225 CG GLN A 19 10.113 15.144 2.943 1.00 0.00 C ATOM 226 CD GLN A 19 11.436 14.799 2.289 1.00 0.00 C ATOM 227 OE1 GLN A 19 11.998 13.729 2.525 1.00 0.00 O ATOM 228 NE2 GLN A 19 11.941 15.704 1.459 1.00 0.00 N ATOM 0 HA GLN A 19 9.393 14.147 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.210 14.272 3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.464 13.106 3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.752 16.093 2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.267 15.284 4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.442 16.578 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.828 15.525 0.988 1.00 0.00 H new ATOM 237 N LEU A 20 6.668 12.471 1.296 1.00 0.00 N ATOM 238 CA LEU A 20 5.978 11.203 1.085 1.00 0.00 C ATOM 239 C LEU A 20 5.670 10.990 -0.394 1.00 0.00 C ATOM 240 O LEU A 20 5.587 9.855 -0.864 1.00 0.00 O ATOM 241 CB LEU A 20 4.682 11.164 1.897 1.00 0.00 C ATOM 242 CG LEU A 20 3.669 10.092 1.493 1.00 0.00 C ATOM 243 CD1 LEU A 20 3.949 8.789 2.225 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.250 10.568 1.771 1.00 0.00 C ATOM 0 H LEU A 20 6.079 13.214 1.672 1.00 0.00 H new ATOM 0 HA LEU A 20 6.635 10.400 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.938 11.016 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.200 12.138 1.821 1.00 0.00 H new ATOM 0 HG LEU A 20 3.768 9.911 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.218 8.038 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.951 8.440 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.879 8.953 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.542 9.793 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.138 10.777 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.052 11.475 1.200 1.00 0.00 H new ATOM 256 N TYR A 21 5.505 12.089 -1.123 1.00 0.00 N ATOM 257 CA TYR A 21 5.208 12.022 -2.549 1.00 0.00 C ATOM 258 C TYR A 21 6.436 11.588 -3.342 1.00 0.00 C ATOM 259 O TYR A 21 6.320 11.050 -4.444 1.00 0.00 O ATOM 260 CB TYR A 21 4.715 13.380 -3.052 1.00 0.00 C ATOM 261 CG TYR A 21 3.240 13.615 -2.814 1.00 0.00 C ATOM 262 CD1 TYR A 21 2.699 13.522 -1.538 1.00 0.00 C ATOM 263 CD2 TYR A 21 2.389 13.930 -3.866 1.00 0.00 C ATOM 264 CE1 TYR A 21 1.352 13.735 -1.316 1.00 0.00 C ATOM 265 CE2 TYR A 21 1.041 14.147 -3.653 1.00 0.00 C ATOM 266 CZ TYR A 21 0.527 14.048 -2.377 1.00 0.00 C ATOM 267 OH TYR A 21 -0.815 14.261 -2.161 1.00 0.00 O ATOM 0 H TYR A 21 5.572 13.036 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 21 4.423 11.280 -2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.284 14.169 -2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.919 13.458 -4.120 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.342 13.279 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.788 14.007 -4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.947 13.657 -0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.393 14.393 -4.481 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.990 14.292 -1.197 1.00 0.00 H new ATOM 277 N LEU A 22 7.613 11.827 -2.775 1.00 0.00 N ATOM 278 CA LEU A 22 8.866 11.460 -3.427 1.00 0.00 C ATOM 279 C LEU A 22 9.174 9.981 -3.222 1.00 0.00 C ATOM 280 O LEU A 22 9.481 9.263 -4.174 1.00 0.00 O ATOM 281 CB LEU A 22 10.014 12.313 -2.885 1.00 0.00 C ATOM 282 CG LEU A 22 9.926 13.813 -3.164 1.00 0.00 C ATOM 283 CD1 LEU A 22 10.832 14.586 -2.217 1.00 0.00 C ATOM 284 CD2 LEU A 22 10.290 14.109 -4.612 1.00 0.00 C ATOM 0 H LEU A 22 7.727 12.273 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 22 8.759 11.644 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.070 12.167 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.947 11.940 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 22 8.898 14.134 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.756 15.652 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.526 14.399 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.863 14.261 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.222 15.182 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.308 13.772 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.601 13.585 -5.275 1.00 0.00 H new ATOM 296 N TRP A 23 9.089 9.532 -1.975 1.00 0.00 N ATOM 297 CA TRP A 23 9.357 8.136 -1.646 1.00 0.00 C ATOM 298 C TRP A 23 8.727 7.203 -2.674 1.00 0.00 C ATOM 299 O TRP A 23 9.282 6.152 -2.995 1.00 0.00 O ATOM 300 CB TRP A 23 8.826 7.809 -0.249 1.00 0.00 C ATOM 301 CG TRP A 23 8.601 6.344 -0.027 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.553 5.365 0.007 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.345 5.693 0.190 1.00 0.00 C ATOM 304 NE1 TRP A 23 8.964 4.145 0.232 1.00 0.00 N ATOM 305 CE2 TRP A 23 7.610 4.319 0.349 1.00 0.00 C ATOM 306 CE3 TRP A 23 6.022 6.137 0.268 1.00 0.00 C ATOM 307 CZ2 TRP A 23 6.601 3.388 0.580 1.00 0.00 C ATOM 308 CZ3 TRP A 23 5.022 5.212 0.497 1.00 0.00 C ATOM 309 CH2 TRP A 23 5.315 3.850 0.651 1.00 0.00 C ATOM 0 H TRP A 23 8.837 10.113 -1.176 1.00 0.00 H new ATOM 0 HA TRP A 23 10.437 7.986 -1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.531 8.178 0.496 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.888 8.341 -0.091 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.613 5.527 -0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.455 3.254 0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.786 7.184 0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.825 2.338 0.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.996 5.544 0.558 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.510 3.152 0.829 1.00 0.00 H new ATOM 320 N VAL A 24 7.565 7.594 -3.188 1.00 0.00 N ATOM 321 CA VAL A 24 6.860 6.793 -4.181 1.00 0.00 C ATOM 322 C VAL A 24 7.631 6.744 -5.496 1.00 0.00 C ATOM 323 O VAL A 24 7.757 5.687 -6.115 1.00 0.00 O ATOM 324 CB VAL A 24 5.447 7.345 -4.448 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.794 6.605 -5.605 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.592 7.249 -3.193 1.00 0.00 C ATOM 0 H VAL A 24 7.092 8.461 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 24 6.777 5.785 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 24 5.533 8.396 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.797 7.009 -5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.398 6.730 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.719 5.545 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.597 7.643 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.512 6.206 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.053 7.829 -2.393 1.00 0.00 H new ATOM 336 N ASP A 25 8.146 7.894 -5.916 1.00 0.00 N ATOM 337 CA ASP A 25 8.907 7.983 -7.156 1.00 0.00 C ATOM 338 C ASP A 25 10.029 6.950 -7.181 1.00 0.00 C ATOM 339 O ASP A 25 10.169 6.194 -8.141 1.00 0.00 O ATOM 340 CB ASP A 25 9.487 9.388 -7.324 1.00 0.00 C ATOM 341 CG ASP A 25 9.781 9.724 -8.773 1.00 0.00 C ATOM 342 OD1 ASP A 25 8.969 9.350 -9.645 1.00 0.00 O ATOM 343 OD2 ASP A 25 10.823 10.360 -9.035 1.00 0.00 O ATOM 0 H ASP A 25 8.050 8.778 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 25 8.229 7.777 -7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.786 10.118 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.405 9.471 -6.741 1.00 0.00 H new ATOM 348 N ASN A 26 10.827 6.925 -6.119 1.00 0.00 N ATOM 349 CA ASN A 26 11.938 5.985 -6.019 1.00 0.00 C ATOM 350 C ASN A 26 11.515 4.592 -6.474 1.00 0.00 C ATOM 351 O ASN A 26 12.169 3.978 -7.318 1.00 0.00 O ATOM 352 CB ASN A 26 12.458 5.929 -4.581 1.00 0.00 C ATOM 353 CG ASN A 26 13.515 4.858 -4.390 1.00 0.00 C ATOM 354 OD1 ASN A 26 14.551 4.867 -5.056 1.00 0.00 O ATOM 355 ND2 ASN A 26 13.257 3.928 -3.478 1.00 0.00 N ATOM 0 H ASN A 26 10.725 7.545 -5.315 1.00 0.00 H new ATOM 0 HA ASN A 26 12.737 6.334 -6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.874 6.899 -4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.625 5.739 -3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.931 3.182 -3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.385 3.960 -2.949 1.00 0.00 H new ATOM 362 N ILE A 27 10.417 4.099 -5.909 1.00 0.00 N ATOM 363 CA ILE A 27 9.906 2.780 -6.258 1.00 0.00 C ATOM 364 C ILE A 27 9.370 2.757 -7.685 1.00 0.00 C ATOM 365 O ILE A 27 8.647 3.656 -8.117 1.00 0.00 O ATOM 366 CB ILE A 27 8.789 2.336 -5.295 1.00 0.00 C ATOM 367 CG1 ILE A 27 9.304 2.321 -3.854 1.00 0.00 C ATOM 368 CG2 ILE A 27 8.263 0.965 -5.690 1.00 0.00 C ATOM 369 CD1 ILE A 27 8.203 2.248 -2.819 1.00 0.00 C ATOM 0 H ILE A 27 9.865 4.594 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 27 10.743 2.086 -6.176 1.00 0.00 H new ATOM 0 HB ILE A 27 7.968 3.050 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.971 1.469 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.897 3.219 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.474 0.665 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.862 1.007 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.075 0.239 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.642 2.241 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.549 3.114 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.624 1.336 -2.967 1.00 0.00 H new ATOM 577 N ASP A 39 -5.739 8.124 -7.382 1.00 0.00 N ATOM 578 CA ASP A 39 -5.526 6.686 -7.496 1.00 0.00 C ATOM 579 C ASP A 39 -5.318 6.057 -6.122 1.00 0.00 C ATOM 580 O ASP A 39 -6.117 5.233 -5.678 1.00 0.00 O ATOM 581 CB ASP A 39 -4.319 6.397 -8.391 1.00 0.00 C ATOM 582 CG ASP A 39 -4.698 6.280 -9.854 1.00 0.00 C ATOM 583 OD1 ASP A 39 -5.165 7.285 -10.429 1.00 0.00 O ATOM 584 OD2 ASP A 39 -4.527 5.182 -10.424 1.00 0.00 O ATOM 0 HA ASP A 39 -6.416 6.246 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.583 7.192 -8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.843 5.471 -8.067 1.00 0.00 H new ATOM 589 N PHE A 40 -4.238 6.450 -5.454 1.00 0.00 N ATOM 590 CA PHE A 40 -3.924 5.923 -4.131 1.00 0.00 C ATOM 591 C PHE A 40 -5.193 5.728 -3.307 1.00 0.00 C ATOM 592 O PHE A 40 -5.341 4.730 -2.602 1.00 0.00 O ATOM 593 CB PHE A 40 -2.966 6.864 -3.398 1.00 0.00 C ATOM 594 CG PHE A 40 -1.517 6.551 -3.637 1.00 0.00 C ATOM 595 CD1 PHE A 40 -0.950 6.746 -4.887 1.00 0.00 C ATOM 596 CD2 PHE A 40 -0.722 6.063 -2.613 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.383 6.457 -5.110 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.612 5.773 -2.831 1.00 0.00 C ATOM 599 CZ PHE A 40 1.166 5.972 -4.080 1.00 0.00 C ATOM 0 H PHE A 40 -3.566 7.131 -5.807 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.443 4.953 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.165 7.889 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.168 6.814 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.556 7.128 -5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.149 5.907 -1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.812 6.610 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.221 5.391 -2.025 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.209 5.749 -4.251 1.00 0.00 H new ATOM 609 N SER A 41 -6.107 6.689 -3.402 1.00 0.00 N ATOM 610 CA SER A 41 -7.362 6.626 -2.663 1.00 0.00 C ATOM 611 C SER A 41 -7.852 5.186 -2.546 1.00 0.00 C ATOM 612 O SER A 41 -8.260 4.744 -1.472 1.00 0.00 O ATOM 613 CB SER A 41 -8.426 7.485 -3.350 1.00 0.00 C ATOM 614 OG SER A 41 -8.649 7.052 -4.681 1.00 0.00 O ATOM 0 H SER A 41 -6.001 7.520 -3.984 1.00 0.00 H new ATOM 0 HA SER A 41 -7.184 7.013 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.358 7.435 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.110 8.528 -3.352 1.00 0.00 H new ATOM 0 HG SER A 41 -9.124 7.751 -5.177 1.00 0.00 H new ATOM 620 N ASP A 42 -7.808 4.461 -3.657 1.00 0.00 N ATOM 621 CA ASP A 42 -8.246 3.070 -3.681 1.00 0.00 C ATOM 622 C ASP A 42 -7.165 2.150 -3.122 1.00 0.00 C ATOM 623 O ASP A 42 -5.980 2.478 -3.153 1.00 0.00 O ATOM 624 CB ASP A 42 -8.604 2.649 -5.107 1.00 0.00 C ATOM 625 CG ASP A 42 -9.378 3.720 -5.850 1.00 0.00 C ATOM 626 OD1 ASP A 42 -10.263 4.348 -5.232 1.00 0.00 O ATOM 627 OD2 ASP A 42 -9.099 3.931 -7.049 1.00 0.00 O ATOM 0 H ASP A 42 -7.473 4.813 -4.554 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.132 2.984 -3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.690 2.419 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.195 1.734 -5.075 1.00 0.00 H new ATOM 632 N GLY A 43 -7.583 0.997 -2.609 1.00 0.00 N ATOM 633 CA GLY A 43 -6.639 0.048 -2.049 1.00 0.00 C ATOM 634 C GLY A 43 -6.029 -0.854 -3.103 1.00 0.00 C ATOM 635 O GLY A 43 -5.817 -2.043 -2.866 1.00 0.00 O ATOM 0 H GLY A 43 -8.559 0.703 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.845 0.590 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.144 -0.563 -1.300 1.00 0.00 H new ATOM 639 N VAL A 44 -5.749 -0.289 -4.274 1.00 0.00 N ATOM 640 CA VAL A 44 -5.161 -1.051 -5.369 1.00 0.00 C ATOM 641 C VAL A 44 -3.762 -0.545 -5.702 1.00 0.00 C ATOM 642 O VAL A 44 -2.846 -1.332 -5.945 1.00 0.00 O ATOM 643 CB VAL A 44 -6.036 -0.981 -6.635 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.417 -1.798 -7.758 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.449 -1.457 -6.333 1.00 0.00 C ATOM 0 H VAL A 44 -5.920 0.694 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.099 -2.087 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.090 0.058 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.049 -1.736 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.427 -1.405 -7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.330 -2.839 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.053 -1.401 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.418 -2.488 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.890 -0.824 -5.563 1.00 0.00 H new ATOM 655 N LEU A 45 -3.604 0.774 -5.712 1.00 0.00 N ATOM 656 CA LEU A 45 -2.315 1.388 -6.015 1.00 0.00 C ATOM 657 C LEU A 45 -1.312 1.130 -4.895 1.00 0.00 C ATOM 658 O LEU A 45 -0.175 0.731 -5.145 1.00 0.00 O ATOM 659 CB LEU A 45 -2.483 2.893 -6.228 1.00 0.00 C ATOM 660 CG LEU A 45 -1.421 3.570 -7.096 1.00 0.00 C ATOM 661 CD1 LEU A 45 -0.034 3.056 -6.741 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.714 3.344 -8.572 1.00 0.00 C ATOM 0 H LEU A 45 -4.352 1.439 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.932 0.938 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.459 3.069 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.491 3.379 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.450 4.642 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.708 3.549 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.176 3.271 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.008 1.979 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.948 3.833 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.714 2.275 -8.783 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.690 3.762 -8.817 1.00 0.00 H new ATOM 674 N VAL A 46 -1.743 1.358 -3.658 1.00 0.00 N ATOM 675 CA VAL A 46 -0.884 1.147 -2.499 1.00 0.00 C ATOM 676 C VAL A 46 -0.239 -0.233 -2.537 1.00 0.00 C ATOM 677 O VAL A 46 0.980 -0.364 -2.424 1.00 0.00 O ATOM 678 CB VAL A 46 -1.670 1.299 -1.183 1.00 0.00 C ATOM 679 CG1 VAL A 46 -0.754 1.089 0.013 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.342 2.662 -1.118 1.00 0.00 C ATOM 0 H VAL A 46 -2.681 1.689 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.106 1.909 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.447 0.535 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.327 1.200 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.325 0.088 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.047 1.828 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.893 2.752 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.584 3.444 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.031 2.768 -1.956 1.00 0.00 H new ATOM 690 N ALA A 47 -1.065 -1.262 -2.697 1.00 0.00 N ATOM 691 CA ALA A 47 -0.575 -2.634 -2.752 1.00 0.00 C ATOM 692 C ALA A 47 0.734 -2.718 -3.530 1.00 0.00 C ATOM 693 O ALA A 47 1.750 -3.171 -3.005 1.00 0.00 O ATOM 694 CB ALA A 47 -1.622 -3.544 -3.377 1.00 0.00 C ATOM 0 H ALA A 47 -2.077 -1.171 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.383 -2.967 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.242 -4.565 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.533 -3.515 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.842 -3.204 -4.389 1.00 0.00 H new ATOM 700 N GLU A 48 0.700 -2.280 -4.785 1.00 0.00 N ATOM 701 CA GLU A 48 1.885 -2.308 -5.635 1.00 0.00 C ATOM 702 C GLU A 48 3.122 -1.865 -4.859 1.00 0.00 C ATOM 703 O GLU A 48 4.146 -2.549 -4.858 1.00 0.00 O ATOM 704 CB GLU A 48 1.685 -1.408 -6.856 1.00 0.00 C ATOM 705 CG GLU A 48 0.725 -1.981 -7.884 1.00 0.00 C ATOM 706 CD GLU A 48 1.222 -3.280 -8.487 1.00 0.00 C ATOM 707 OE1 GLU A 48 0.946 -4.349 -7.901 1.00 0.00 O ATOM 708 OE2 GLU A 48 1.887 -3.230 -9.542 1.00 0.00 O ATOM 0 H GLU A 48 -0.134 -1.902 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 48 2.036 -3.334 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.313 -0.438 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.651 -1.234 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.245 -2.150 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.572 -1.251 -8.679 1.00 0.00 H new ATOM 715 N VAL A 49 3.020 -0.715 -4.201 1.00 0.00 N ATOM 716 CA VAL A 49 4.129 -0.180 -3.421 1.00 0.00 C ATOM 717 C VAL A 49 4.751 -1.257 -2.539 1.00 0.00 C ATOM 718 O VAL A 49 5.971 -1.313 -2.377 1.00 0.00 O ATOM 719 CB VAL A 49 3.676 0.996 -2.534 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.838 1.513 -1.699 1.00 0.00 C ATOM 721 CG2 VAL A 49 3.085 2.108 -3.387 1.00 0.00 C ATOM 0 H VAL A 49 2.180 -0.136 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 49 4.873 0.177 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 49 2.902 0.640 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.500 2.343 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.212 0.712 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.636 1.854 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.770 2.931 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.836 2.465 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.224 1.727 -3.937 1.00 0.00 H new ATOM 731 N ILE A 50 3.906 -2.111 -1.972 1.00 0.00 N ATOM 732 CA ILE A 50 4.373 -3.187 -1.108 1.00 0.00 C ATOM 733 C ILE A 50 4.958 -4.334 -1.926 1.00 0.00 C ATOM 734 O ILE A 50 6.013 -4.874 -1.592 1.00 0.00 O ATOM 735 CB ILE A 50 3.236 -3.732 -0.222 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.543 -2.585 0.518 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.777 -4.755 0.764 1.00 0.00 C ATOM 738 CD1 ILE A 50 1.114 -2.893 0.906 1.00 0.00 C ATOM 0 H ILE A 50 2.894 -2.078 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 50 5.150 -2.765 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 50 2.502 -4.224 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.112 -2.347 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.556 -1.696 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.962 -5.131 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.229 -5.583 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.528 -4.286 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.686 -2.036 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.530 -3.102 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.095 -3.763 1.562 1.00 0.00 H new ATOM 750 N LYS A 51 4.267 -4.700 -3.000 1.00 0.00 N ATOM 751 CA LYS A 51 4.719 -5.780 -3.869 1.00 0.00 C ATOM 752 C LYS A 51 6.239 -5.777 -3.996 1.00 0.00 C ATOM 753 O LYS A 51 6.875 -6.832 -3.986 1.00 0.00 O ATOM 754 CB LYS A 51 4.080 -5.649 -5.253 1.00 0.00 C ATOM 755 CG LYS A 51 4.146 -6.924 -6.077 1.00 0.00 C ATOM 756 CD LYS A 51 2.943 -7.816 -5.821 1.00 0.00 C ATOM 757 CE LYS A 51 2.820 -8.902 -6.879 1.00 0.00 C ATOM 758 NZ LYS A 51 2.162 -8.399 -8.116 1.00 0.00 N ATOM 0 H LYS A 51 3.391 -4.264 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 51 4.412 -6.725 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.037 -5.356 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.577 -4.847 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.194 -6.672 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.060 -7.467 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.031 -8.274 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.036 -7.212 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.811 -9.284 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.247 -9.738 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.097 -9.169 -8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.207 -8.058 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.722 -7.618 -8.514 1.00 0.00 H new ATOM 772 N PHE A 52 6.816 -4.586 -4.114 1.00 0.00 N ATOM 773 CA PHE A 52 8.261 -4.446 -4.242 1.00 0.00 C ATOM 774 C PHE A 52 8.981 -5.184 -3.117 1.00 0.00 C ATOM 775 O PHE A 52 9.833 -6.038 -3.366 1.00 0.00 O ATOM 776 CB PHE A 52 8.655 -2.968 -4.231 1.00 0.00 C ATOM 777 CG PHE A 52 10.134 -2.742 -4.101 1.00 0.00 C ATOM 778 CD1 PHE A 52 10.735 -2.696 -2.854 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.924 -2.577 -5.228 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.096 -2.488 -2.732 1.00 0.00 C ATOM 781 CE2 PHE A 52 12.286 -2.368 -5.112 1.00 0.00 C ATOM 782 CZ PHE A 52 12.872 -2.325 -3.863 1.00 0.00 C ATOM 0 H PHE A 52 6.304 -3.704 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 52 8.560 -4.888 -5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.304 -2.500 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.146 -2.471 -3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.133 -2.824 -1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.471 -2.612 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.552 -2.453 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.890 -2.239 -5.998 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.936 -2.164 -3.770 1.00 0.00 H new ATOM 792 N TYR A 53 8.633 -4.848 -1.880 1.00 0.00 N ATOM 793 CA TYR A 53 9.248 -5.476 -0.716 1.00 0.00 C ATOM 794 C TYR A 53 8.708 -6.888 -0.511 1.00 0.00 C ATOM 795 O TYR A 53 9.470 -7.835 -0.315 1.00 0.00 O ATOM 796 CB TYR A 53 8.996 -4.635 0.536 1.00 0.00 C ATOM 797 CG TYR A 53 9.641 -3.268 0.487 1.00 0.00 C ATOM 798 CD1 TYR A 53 8.960 -2.175 -0.036 1.00 0.00 C ATOM 799 CD2 TYR A 53 10.930 -3.069 0.964 1.00 0.00 C ATOM 800 CE1 TYR A 53 9.546 -0.925 -0.084 1.00 0.00 C ATOM 801 CE2 TYR A 53 11.524 -1.822 0.922 1.00 0.00 C ATOM 802 CZ TYR A 53 10.828 -0.754 0.397 1.00 0.00 C ATOM 803 OH TYR A 53 11.414 0.490 0.352 1.00 0.00 O ATOM 0 H TYR A 53 7.929 -4.145 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 53 10.322 -5.539 -0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.921 -4.516 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.371 -5.173 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.956 -2.305 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 53 11.478 -3.904 1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.004 -0.086 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.527 -1.685 1.298 1.00 0.00 H new ATOM 0 HH TYR A 53 12.317 0.440 0.731 1.00 0.00 H new ATOM 813 N PHE A 54 7.386 -7.022 -0.557 1.00 0.00 N ATOM 814 CA PHE A 54 6.742 -8.318 -0.375 1.00 0.00 C ATOM 815 C PHE A 54 5.738 -8.587 -1.493 1.00 0.00 C ATOM 816 O PHE A 54 4.583 -8.163 -1.439 1.00 0.00 O ATOM 817 CB PHE A 54 6.039 -8.376 0.982 1.00 0.00 C ATOM 818 CG PHE A 54 6.915 -7.959 2.129 1.00 0.00 C ATOM 819 CD1 PHE A 54 7.904 -8.804 2.606 1.00 0.00 C ATOM 820 CD2 PHE A 54 6.749 -6.722 2.731 1.00 0.00 C ATOM 821 CE1 PHE A 54 8.712 -8.424 3.661 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.554 -6.336 3.785 1.00 0.00 C ATOM 823 CZ PHE A 54 8.536 -7.188 4.252 1.00 0.00 C ATOM 0 H PHE A 54 6.740 -6.249 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 54 7.513 -9.088 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.159 -7.733 0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.685 -9.392 1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.045 -9.772 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.982 -6.052 2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.480 -9.092 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.416 -5.368 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.165 -6.888 5.077 1.00 0.00 H new ATOM 833 N PRO A 55 6.188 -9.308 -2.530 1.00 0.00 N ATOM 834 CA PRO A 55 5.346 -9.651 -3.680 1.00 0.00 C ATOM 835 C PRO A 55 4.259 -10.660 -3.323 1.00 0.00 C ATOM 836 O PRO A 55 3.161 -10.628 -3.879 1.00 0.00 O ATOM 837 CB PRO A 55 6.335 -10.261 -4.675 1.00 0.00 C ATOM 838 CG PRO A 55 7.448 -10.782 -3.832 1.00 0.00 C ATOM 839 CD PRO A 55 7.552 -9.846 -2.660 1.00 0.00 C ATOM 0 HA PRO A 55 4.812 -8.783 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.871 -11.059 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.692 -9.516 -5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.244 -11.800 -3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.382 -10.811 -4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.866 -10.368 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.280 -9.055 -2.841 1.00 0.00 H new ATOM 847 N LYS A 56 4.572 -11.554 -2.392 1.00 0.00 N ATOM 848 CA LYS A 56 3.622 -12.572 -1.958 1.00 0.00 C ATOM 849 C LYS A 56 2.503 -11.953 -1.127 1.00 0.00 C ATOM 850 O LYS A 56 1.322 -12.178 -1.394 1.00 0.00 O ATOM 851 CB LYS A 56 4.337 -13.653 -1.145 1.00 0.00 C ATOM 852 CG LYS A 56 4.865 -14.800 -1.989 1.00 0.00 C ATOM 853 CD LYS A 56 3.734 -15.650 -2.544 1.00 0.00 C ATOM 854 CE LYS A 56 3.228 -16.647 -1.514 1.00 0.00 C ATOM 855 NZ LYS A 56 2.054 -17.415 -2.014 1.00 0.00 N ATOM 0 H LYS A 56 5.477 -11.595 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 56 3.183 -13.025 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.167 -13.199 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.649 -14.049 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.461 -14.404 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.527 -15.422 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.914 -15.005 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.080 -16.184 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.030 -17.338 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.954 -16.118 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.739 -18.084 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.280 -16.758 -2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.322 -17.940 -2.871 1.00 0.00 H new ATOM 869 N MET A 57 2.881 -11.172 -0.121 1.00 0.00 N ATOM 870 CA MET A 57 1.908 -10.518 0.746 1.00 0.00 C ATOM 871 C MET A 57 0.770 -9.915 -0.071 1.00 0.00 C ATOM 872 O MET A 57 -0.398 -10.016 0.305 1.00 0.00 O ATOM 873 CB MET A 57 2.586 -9.430 1.580 1.00 0.00 C ATOM 874 CG MET A 57 3.320 -9.965 2.799 1.00 0.00 C ATOM 875 SD MET A 57 2.236 -10.175 4.225 1.00 0.00 S ATOM 876 CE MET A 57 2.470 -8.608 5.060 1.00 0.00 C ATOM 0 H MET A 57 3.854 -10.976 0.114 1.00 0.00 H new ATOM 0 HA MET A 57 1.491 -11.271 1.415 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.292 -8.888 0.950 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.833 -8.712 1.906 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.778 -10.923 2.551 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.129 -9.283 3.060 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.521 -8.274 5.480 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.199 -8.728 5.861 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.832 -7.867 4.348 1.00 0.00 H new ATOM 886 N VAL A 58 1.119 -9.287 -1.189 1.00 0.00 N ATOM 887 CA VAL A 58 0.126 -8.668 -2.059 1.00 0.00 C ATOM 888 C VAL A 58 -0.539 -9.704 -2.958 1.00 0.00 C ATOM 889 O VAL A 58 0.134 -10.423 -3.696 1.00 0.00 O ATOM 890 CB VAL A 58 0.756 -7.571 -2.938 1.00 0.00 C ATOM 891 CG1 VAL A 58 -0.297 -6.926 -3.826 1.00 0.00 C ATOM 892 CG2 VAL A 58 1.448 -6.528 -2.073 1.00 0.00 C ATOM 0 H VAL A 58 2.081 -9.193 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.626 -8.217 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 58 1.505 -8.032 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.168 -6.154 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.742 -7.683 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.072 -6.478 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.888 -5.761 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.720 -6.070 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.233 -7.005 -1.486 1.00 0.00 H new ATOM 902 N GLU A 59 -1.865 -9.774 -2.890 1.00 0.00 N ATOM 903 CA GLU A 59 -2.621 -10.723 -3.698 1.00 0.00 C ATOM 904 C GLU A 59 -3.499 -9.996 -4.713 1.00 0.00 C ATOM 905 O GLU A 59 -4.674 -9.734 -4.458 1.00 0.00 O ATOM 906 CB GLU A 59 -3.487 -11.613 -2.804 1.00 0.00 C ATOM 907 CG GLU A 59 -2.754 -12.828 -2.262 1.00 0.00 C ATOM 908 CD GLU A 59 -2.071 -12.555 -0.936 1.00 0.00 C ATOM 909 OE1 GLU A 59 -2.518 -11.639 -0.215 1.00 0.00 O ATOM 910 OE2 GLU A 59 -1.088 -13.257 -0.620 1.00 0.00 O ATOM 0 H GLU A 59 -2.437 -9.185 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.909 -11.347 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.859 -11.021 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.356 -11.947 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.460 -13.649 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.010 -13.153 -2.989 1.00 0.00 H new ATOM 917 N MET A 60 -2.919 -9.673 -5.864 1.00 0.00 N ATOM 918 CA MET A 60 -3.648 -8.976 -6.918 1.00 0.00 C ATOM 919 C MET A 60 -4.829 -9.810 -7.404 1.00 0.00 C ATOM 920 O MET A 60 -5.941 -9.301 -7.553 1.00 0.00 O ATOM 921 CB MET A 60 -2.716 -8.660 -8.089 1.00 0.00 C ATOM 922 CG MET A 60 -2.009 -7.321 -7.959 1.00 0.00 C ATOM 923 SD MET A 60 -3.006 -5.947 -8.566 1.00 0.00 S ATOM 924 CE MET A 60 -3.486 -5.170 -7.025 1.00 0.00 C ATOM 0 H MET A 60 -1.947 -9.882 -6.091 1.00 0.00 H new ATOM 0 HA MET A 60 -4.030 -8.042 -6.505 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.969 -9.449 -8.171 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.292 -8.669 -9.014 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.757 -7.148 -6.913 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.070 -7.355 -8.511 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.561 -4.992 -7.027 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.227 -5.824 -6.192 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.962 -4.221 -6.917 1.00 0.00 H new ATOM 934 N HIS A 61 -4.582 -11.092 -7.649 1.00 0.00 N ATOM 935 CA HIS A 61 -5.626 -11.996 -8.118 1.00 0.00 C ATOM 936 C HIS A 61 -6.953 -11.698 -7.427 1.00 0.00 C ATOM 937 O HIS A 61 -8.022 -11.890 -8.005 1.00 0.00 O ATOM 938 CB HIS A 61 -5.223 -13.450 -7.868 1.00 0.00 C ATOM 939 CG HIS A 61 -6.014 -14.437 -8.668 1.00 0.00 C ATOM 940 ND1 HIS A 61 -6.156 -14.356 -10.037 1.00 0.00 N ATOM 941 CD2 HIS A 61 -6.708 -15.535 -8.285 1.00 0.00 C ATOM 942 CE1 HIS A 61 -6.904 -15.359 -10.461 1.00 0.00 C ATOM 943 NE2 HIS A 61 -7.251 -16.090 -9.417 1.00 0.00 N ATOM 0 H HIS A 61 -3.668 -11.529 -7.531 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.751 -11.841 -9.190 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.165 -13.570 -8.101 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.343 -13.674 -6.808 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.814 -15.905 -7.276 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.184 -15.549 -11.487 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.829 -16.930 -9.447 1.00 0.00 H new ATOM 952 N ASN A 62 -6.876 -11.229 -6.186 1.00 0.00 N ATOM 953 CA ASN A 62 -8.072 -10.906 -5.415 1.00 0.00 C ATOM 954 C ASN A 62 -8.463 -9.444 -5.606 1.00 0.00 C ATOM 955 O ASN A 62 -9.631 -9.128 -5.836 1.00 0.00 O ATOM 956 CB ASN A 62 -7.840 -11.193 -3.930 1.00 0.00 C ATOM 957 CG ASN A 62 -8.098 -12.645 -3.576 1.00 0.00 C ATOM 958 OD1 ASN A 62 -9.161 -13.189 -3.874 1.00 0.00 O ATOM 959 ND2 ASN A 62 -7.123 -13.280 -2.936 1.00 0.00 N ATOM 0 H ASN A 62 -5.999 -11.064 -5.693 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.887 -11.533 -5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.814 -10.935 -3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.491 -10.555 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.239 -14.258 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.258 -12.790 -2.709 1.00 0.00 H new ATOM 966 N TYR A 63 -7.480 -8.556 -5.509 1.00 0.00 N ATOM 967 CA TYR A 63 -7.721 -7.127 -5.670 1.00 0.00 C ATOM 968 C TYR A 63 -7.818 -6.753 -7.145 1.00 0.00 C ATOM 969 O TYR A 63 -6.953 -7.108 -7.946 1.00 0.00 O ATOM 970 CB TYR A 63 -6.606 -6.322 -5.000 1.00 0.00 C ATOM 971 CG TYR A 63 -6.354 -6.716 -3.562 1.00 0.00 C ATOM 972 CD1 TYR A 63 -7.316 -6.501 -2.583 1.00 0.00 C ATOM 973 CD2 TYR A 63 -5.154 -7.304 -3.183 1.00 0.00 C ATOM 974 CE1 TYR A 63 -7.089 -6.858 -1.269 1.00 0.00 C ATOM 975 CE2 TYR A 63 -4.919 -7.667 -1.871 1.00 0.00 C ATOM 976 CZ TYR A 63 -5.890 -7.441 -0.917 1.00 0.00 C ATOM 977 OH TYR A 63 -5.661 -7.800 0.391 1.00 0.00 O ATOM 0 H TYR A 63 -6.508 -8.801 -5.320 1.00 0.00 H new ATOM 0 HA TYR A 63 -8.671 -6.889 -5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.685 -6.449 -5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.861 -5.263 -5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.257 -6.047 -2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.391 -7.480 -3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.847 -6.682 -0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.981 -8.125 -1.594 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.769 -8.198 0.470 1.00 0.00 H new ATOM 987 N VAL A 64 -8.878 -6.033 -7.498 1.00 0.00 N ATOM 988 CA VAL A 64 -9.090 -5.608 -8.877 1.00 0.00 C ATOM 989 C VAL A 64 -9.511 -4.144 -8.942 1.00 0.00 C ATOM 990 O VAL A 64 -10.315 -3.667 -8.140 1.00 0.00 O ATOM 991 CB VAL A 64 -10.160 -6.470 -9.572 1.00 0.00 C ATOM 992 CG1 VAL A 64 -10.418 -5.966 -10.983 1.00 0.00 C ATOM 993 CG2 VAL A 64 -9.737 -7.932 -9.589 1.00 0.00 C ATOM 0 H VAL A 64 -9.604 -5.732 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.140 -5.733 -9.396 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.089 -6.390 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.177 -6.588 -11.458 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.767 -4.934 -10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.495 -6.014 -11.561 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.505 -8.527 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.796 -8.032 -10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.607 -8.285 -8.566 1.00 0.00 H new ATOM 1003 N PRO A 65 -8.958 -3.412 -9.920 1.00 0.00 N ATOM 1004 CA PRO A 65 -9.263 -1.991 -10.115 1.00 0.00 C ATOM 1005 C PRO A 65 -10.685 -1.767 -10.618 1.00 0.00 C ATOM 1006 O PRO A 65 -10.981 -1.992 -11.791 1.00 0.00 O ATOM 1007 CB PRO A 65 -8.246 -1.552 -11.172 1.00 0.00 C ATOM 1008 CG PRO A 65 -7.911 -2.799 -11.916 1.00 0.00 C ATOM 1009 CD PRO A 65 -7.992 -3.915 -10.912 1.00 0.00 C ATOM 0 HA PRO A 65 -9.200 -1.429 -9.183 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.666 -0.796 -11.835 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.360 -1.115 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.608 -2.962 -12.738 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.914 -2.738 -12.351 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.333 -4.844 -11.370 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.022 -4.120 -10.460 1.00 0.00 H new ATOM 1017 N ALA A 66 -11.561 -1.323 -9.723 1.00 0.00 N ATOM 1018 CA ALA A 66 -12.951 -1.066 -10.077 1.00 0.00 C ATOM 1019 C ALA A 66 -13.180 0.414 -10.366 1.00 0.00 C ATOM 1020 O ALA A 66 -12.314 1.248 -10.104 1.00 0.00 O ATOM 1021 CB ALA A 66 -13.875 -1.537 -8.964 1.00 0.00 C ATOM 0 H ALA A 66 -11.332 -1.134 -8.747 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.178 -1.626 -10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.910 -1.339 -9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.740 -2.607 -8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.638 -1.003 -8.044 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.351 0.733 -10.907 1.00 0.00 N ATOM 1028 CA ASN A 67 -14.692 2.113 -11.232 1.00 0.00 C ATOM 1029 C ASN A 67 -15.958 2.547 -10.500 1.00 0.00 C ATOM 1030 O ASN A 67 -16.852 3.154 -11.090 1.00 0.00 O ATOM 1031 CB ASN A 67 -14.884 2.270 -12.742 1.00 0.00 C ATOM 1032 CG ASN A 67 -14.922 3.724 -13.172 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -14.440 4.606 -12.460 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -15.496 3.980 -14.341 1.00 0.00 N ATOM 0 H ASN A 67 -15.080 0.055 -11.130 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.869 2.751 -10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -14.073 1.761 -13.263 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.812 1.781 -13.040 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.551 4.939 -14.683 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.882 3.217 -14.897 1.00 0.00 H new ATOM 1041 N SER A 68 -16.026 2.233 -9.210 1.00 0.00 N ATOM 1042 CA SER A 68 -17.183 2.588 -8.397 1.00 0.00 C ATOM 1043 C SER A 68 -16.812 2.641 -6.918 1.00 0.00 C ATOM 1044 O SER A 68 -16.363 1.649 -6.342 1.00 0.00 O ATOM 1045 CB SER A 68 -18.314 1.581 -8.614 1.00 0.00 C ATOM 1046 OG SER A 68 -17.966 0.305 -8.106 1.00 0.00 O ATOM 0 H SER A 68 -15.293 1.734 -8.706 1.00 0.00 H new ATOM 0 HA SER A 68 -17.522 3.577 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.220 1.936 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.537 1.504 -9.678 1.00 0.00 H new ATOM 0 HG SER A 68 -18.706 -0.320 -8.256 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.003 3.806 -6.308 1.00 0.00 N ATOM 1053 CA LEU A 69 -16.689 3.991 -4.896 1.00 0.00 C ATOM 1054 C LEU A 69 -17.078 2.759 -4.086 1.00 0.00 C ATOM 1055 O LEU A 69 -16.230 2.120 -3.464 1.00 0.00 O ATOM 1056 CB LEU A 69 -17.412 5.224 -4.350 1.00 0.00 C ATOM 1057 CG LEU A 69 -16.789 5.874 -3.113 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -16.761 4.893 -1.951 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -15.386 6.376 -3.424 1.00 0.00 C ATOM 0 H LEU A 69 -17.374 4.637 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.613 4.138 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.463 5.971 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -18.438 4.943 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.403 6.727 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.315 5.373 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.778 4.582 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.170 4.019 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.958 6.835 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.761 5.539 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.433 7.113 -4.225 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.366 2.430 -4.099 1.00 0.00 N ATOM 1072 CA GLN A 70 -18.867 1.273 -3.367 1.00 0.00 C ATOM 1073 C GLN A 70 -17.851 0.136 -3.385 1.00 0.00 C ATOM 1074 O GLN A 70 -17.553 -0.458 -2.349 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.192 0.799 -3.965 1.00 0.00 C ATOM 1076 CG GLN A 70 -21.343 1.766 -3.741 1.00 0.00 C ATOM 1077 CD GLN A 70 -21.555 2.091 -2.275 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -20.748 2.788 -1.659 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -22.644 1.586 -1.708 1.00 0.00 N ATOM 0 H GLN A 70 -19.081 2.949 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.031 1.573 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.062 0.644 -5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.451 -0.167 -3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.150 2.688 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -22.258 1.337 -4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -23.286 1.013 -2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -22.839 1.771 -0.724 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.323 -0.161 -4.568 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.341 -1.228 -4.720 1.00 0.00 C ATOM 1090 C GLN A 71 -15.048 -0.886 -3.986 1.00 0.00 C ATOM 1091 O GLN A 71 -14.527 -1.693 -3.216 1.00 0.00 O ATOM 1092 CB GLN A 71 -16.051 -1.475 -6.201 1.00 0.00 C ATOM 1093 CG GLN A 71 -15.651 -2.909 -6.511 1.00 0.00 C ATOM 1094 CD GLN A 71 -14.295 -3.273 -5.939 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -13.498 -2.400 -5.595 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -14.025 -4.569 -5.834 1.00 0.00 N ATOM 0 H GLN A 71 -17.559 0.322 -5.435 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.756 -2.136 -4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.936 -1.219 -6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.253 -0.806 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.404 -3.587 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.636 -3.053 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.715 -5.259 -6.131 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.128 -4.874 -5.456 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.535 0.314 -4.231 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.303 0.764 -3.594 1.00 0.00 C ATOM 1107 C LYS A 72 -13.221 0.265 -2.155 1.00 0.00 C ATOM 1108 O LYS A 72 -12.366 -0.555 -1.819 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.219 2.292 -3.620 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.305 2.882 -5.017 1.00 0.00 C ATOM 1111 CD LYS A 72 -12.116 2.472 -5.869 1.00 0.00 C ATOM 1112 CE LYS A 72 -12.389 1.179 -6.623 1.00 0.00 C ATOM 1113 NZ LYS A 72 -11.142 0.400 -6.856 1.00 0.00 N ATOM 0 H LYS A 72 -14.953 0.993 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.463 0.350 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.025 2.702 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.281 2.604 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.227 2.553 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.350 3.969 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.885 3.266 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.239 2.346 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.097 0.572 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.858 1.408 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.379 -0.604 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.664 0.756 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.510 0.503 -6.036 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.116 0.763 -1.309 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.146 0.366 0.095 1.00 0.00 C ATOM 1129 C LEU A 73 -14.096 -1.152 0.232 1.00 0.00 C ATOM 1130 O LEU A 73 -13.279 -1.691 0.979 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.405 0.910 0.772 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.414 2.410 1.066 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -16.821 2.879 1.403 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.455 2.737 2.201 1.00 0.00 C ATOM 0 H LEU A 73 -14.831 1.442 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.268 0.786 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.262 0.679 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.548 0.375 1.711 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.081 2.938 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.808 3.949 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.483 2.680 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.182 2.344 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.475 3.809 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.757 2.199 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.445 2.438 1.922 1.00 0.00 H new ATOM 1146 N SER A 74 -14.973 -1.836 -0.495 1.00 0.00 N ATOM 1147 CA SER A 74 -15.030 -3.293 -0.453 1.00 0.00 C ATOM 1148 C SER A 74 -13.627 -3.891 -0.424 1.00 0.00 C ATOM 1149 O SER A 74 -13.340 -4.790 0.365 1.00 0.00 O ATOM 1150 CB SER A 74 -15.801 -3.829 -1.661 1.00 0.00 C ATOM 1151 OG SER A 74 -16.131 -5.197 -1.489 1.00 0.00 O ATOM 0 H SER A 74 -15.654 -1.405 -1.120 1.00 0.00 H new ATOM 0 HA SER A 74 -15.549 -3.586 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.712 -3.247 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.201 -3.707 -2.563 1.00 0.00 H new ATOM 0 HG SER A 74 -16.625 -5.516 -2.273 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.757 -3.384 -1.291 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.383 -3.868 -1.366 1.00 0.00 C ATOM 1159 C ASN A 75 -10.605 -3.493 -0.109 1.00 0.00 C ATOM 1160 O ASN A 75 -10.036 -4.355 0.561 1.00 0.00 O ATOM 1161 CB ASN A 75 -10.685 -3.294 -2.601 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.351 -3.725 -3.894 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.346 -4.451 -3.881 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -10.803 -3.280 -5.019 1.00 0.00 N ATOM 0 H ASN A 75 -12.979 -2.639 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.411 -4.955 -1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.684 -2.206 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.643 -3.614 -2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.207 -3.538 -5.920 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.979 -2.680 -4.982 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.584 -2.203 0.205 1.00 0.00 N ATOM 1172 CA TRP A 76 -9.876 -1.714 1.382 1.00 0.00 C ATOM 1173 C TRP A 76 -10.106 -2.633 2.577 1.00 0.00 C ATOM 1174 O TRP A 76 -9.160 -3.037 3.252 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.330 -0.293 1.722 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.530 0.768 1.029 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.902 1.489 -0.069 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.221 1.225 1.387 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.904 2.367 -0.416 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.862 2.226 0.462 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.319 0.889 2.399 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.640 2.889 0.521 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -6.105 1.548 2.456 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.775 2.540 1.523 1.00 0.00 C ATOM 0 H TRP A 76 -11.049 -1.477 -0.339 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.810 -1.703 1.155 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.380 -0.180 1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.260 -0.145 2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.843 1.384 -0.589 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.934 3.018 -1.200 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.566 0.128 3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.383 3.652 -0.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.399 1.294 3.233 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.820 3.039 1.596 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.369 -2.961 2.832 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.699 -3.832 3.945 1.00 0.00 C ATOM 1197 C GLY A 77 -10.843 -5.082 3.977 1.00 0.00 C ATOM 1198 O GLY A 77 -10.356 -5.483 5.034 1.00 0.00 O ATOM 0 H GLY A 77 -12.169 -2.639 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.573 -3.285 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.749 -4.116 3.881 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.661 -5.703 2.815 1.00 0.00 N ATOM 1203 CA HIS A 78 -9.858 -6.916 2.715 1.00 0.00 C ATOM 1204 C HIS A 78 -8.388 -6.620 2.991 1.00 0.00 C ATOM 1205 O HIS A 78 -7.670 -7.451 3.550 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.013 -7.541 1.328 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.438 -7.695 0.896 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -11.829 -7.682 -0.427 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.569 -7.868 1.619 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -13.139 -7.839 -0.498 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -13.612 -7.954 0.730 1.00 0.00 N ATOM 0 H HIS A 78 -11.059 -5.386 1.931 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.214 -7.621 3.466 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -9.486 -6.924 0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.533 -8.520 1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.638 -7.927 2.695 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -13.724 -7.868 -1.406 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -14.593 -8.085 0.978 1.00 0.00 H new ATOM 1220 N LEU A 79 -7.944 -5.432 2.597 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.558 -5.025 2.802 1.00 0.00 C ATOM 1222 C LEU A 79 -6.294 -4.713 4.271 1.00 0.00 C ATOM 1223 O LEU A 79 -5.148 -4.534 4.681 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.232 -3.803 1.942 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.748 -3.532 1.696 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.257 -4.308 0.484 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.500 -2.041 1.513 1.00 0.00 C ATOM 0 H LEU A 79 -8.524 -4.733 2.133 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.914 -5.853 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.724 -3.921 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.668 -2.923 2.416 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.188 -3.869 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.199 -4.102 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.398 -5.375 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.822 -4.003 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.438 -1.867 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.072 -1.679 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.813 -1.507 2.411 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.362 -4.652 5.059 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.245 -4.364 6.484 1.00 0.00 C ATOM 1241 C ASN A 80 -7.036 -5.646 7.284 1.00 0.00 C ATOM 1242 O ASN A 80 -6.413 -5.633 8.346 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.495 -3.636 6.983 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.308 -3.049 8.368 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.771 -3.700 9.264 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -8.753 -1.810 8.550 1.00 0.00 N ATOM 0 H ASN A 80 -8.318 -4.798 4.735 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.376 -3.722 6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.751 -2.839 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.335 -4.330 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.656 -1.362 9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.192 -1.307 7.779 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.561 -6.752 6.766 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.432 -8.043 7.431 1.00 0.00 C ATOM 1255 C ARG A 81 -6.485 -8.959 6.662 1.00 0.00 C ATOM 1256 O ARG A 81 -6.244 -10.098 7.062 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.803 -8.708 7.568 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.598 -8.223 8.770 1.00 0.00 C ATOM 1259 CD ARG A 81 -10.825 -9.088 9.012 1.00 0.00 C ATOM 1260 NE ARG A 81 -11.733 -8.489 9.987 1.00 0.00 N ATOM 1261 CZ ARG A 81 -12.732 -9.149 10.562 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -12.951 -10.421 10.261 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -13.515 -8.535 11.441 1.00 0.00 N ATOM 0 H ARG A 81 -8.080 -6.780 5.888 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.017 -7.872 8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.380 -8.522 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.668 -9.787 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.963 -8.234 9.656 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.906 -7.189 8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.353 -9.240 8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.512 -10.071 9.364 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.592 -7.511 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.352 -10.896 9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.719 -10.925 10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.349 -7.556 11.675 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.282 -9.042 11.882 1.00 0.00 H new ATOM 1277 N LYS A 82 -5.951 -8.454 5.555 1.00 0.00 N ATOM 1278 CA LYS A 82 -5.029 -9.226 4.729 1.00 0.00 C ATOM 1279 C LYS A 82 -3.616 -8.657 4.814 1.00 0.00 C ATOM 1280 O LYS A 82 -2.636 -9.401 4.803 1.00 0.00 O ATOM 1281 CB LYS A 82 -5.501 -9.232 3.273 1.00 0.00 C ATOM 1282 CG LYS A 82 -6.790 -10.004 3.055 1.00 0.00 C ATOM 1283 CD LYS A 82 -6.551 -11.505 3.065 1.00 0.00 C ATOM 1284 CE LYS A 82 -7.799 -12.265 3.488 1.00 0.00 C ATOM 1285 NZ LYS A 82 -7.772 -13.678 3.018 1.00 0.00 N ATOM 0 H LYS A 82 -6.141 -7.513 5.209 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.013 -10.249 5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.643 -8.203 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.719 -9.663 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.507 -9.744 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.233 -9.712 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.244 -11.832 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.733 -11.740 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.886 -12.245 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.682 -11.766 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.639 -14.163 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.714 -13.697 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.944 -14.162 3.420 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.520 -7.334 4.901 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.227 -6.667 4.991 1.00 0.00 C ATOM 1301 C VAL A 83 -2.020 -6.053 6.371 1.00 0.00 C ATOM 1302 O VAL A 83 -1.194 -6.523 7.155 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.089 -5.564 3.925 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -0.745 -4.863 4.051 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.267 -6.146 2.531 1.00 0.00 C ATOM 0 H VAL A 83 -4.322 -6.704 4.911 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.466 -7.428 4.817 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.873 -4.825 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.666 -4.087 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.662 -4.411 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.058 -5.588 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.166 -5.353 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.506 -6.906 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.256 -6.596 2.448 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.775 -5.000 6.663 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.676 -4.320 7.950 1.00 0.00 C ATOM 1317 C LEU A 84 -2.546 -5.327 9.089 1.00 0.00 C ATOM 1318 O LEU A 84 -1.544 -5.345 9.804 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.902 -3.433 8.176 1.00 0.00 C ATOM 1320 CG LEU A 84 -4.164 -2.367 7.112 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.417 -1.573 7.450 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.964 -1.441 6.978 1.00 0.00 C ATOM 0 H LEU A 84 -3.463 -4.598 6.026 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.782 -3.697 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.781 -4.073 8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.794 -2.936 9.140 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.321 -2.866 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.588 -0.819 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.273 -2.246 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.289 -1.085 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.168 -0.689 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.775 -0.949 7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.087 -2.021 6.689 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.564 -6.166 9.249 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.563 -7.178 10.298 1.00 0.00 C ATOM 1336 C LYS A 85 -2.193 -7.840 10.415 1.00 0.00 C ATOM 1337 O LYS A 85 -1.630 -7.935 11.505 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.630 -8.238 10.014 1.00 0.00 C ATOM 1339 CG LYS A 85 -4.877 -9.180 11.179 1.00 0.00 C ATOM 1340 CD LYS A 85 -5.949 -8.643 12.112 1.00 0.00 C ATOM 1341 CE LYS A 85 -6.509 -9.738 13.007 1.00 0.00 C ATOM 1342 NZ LYS A 85 -5.582 -10.072 14.123 1.00 0.00 N ATOM 0 H LYS A 85 -4.400 -6.165 8.665 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.791 -6.685 11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.565 -7.740 9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.328 -8.821 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.179 -10.157 10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.950 -9.325 11.734 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.531 -7.847 12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.756 -8.203 11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.468 -9.418 13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.698 -10.632 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.001 -10.822 14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.675 -10.402 13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.422 -9.226 14.706 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.662 -8.294 9.284 1.00 0.00 N ATOM 1357 CA ARG A 86 -0.358 -8.946 9.260 1.00 0.00 C ATOM 1358 C ARG A 86 0.738 -7.986 9.712 1.00 0.00 C ATOM 1359 O ARG A 86 1.737 -8.400 10.300 1.00 0.00 O ATOM 1360 CB ARG A 86 -0.050 -9.465 7.854 1.00 0.00 C ATOM 1361 CG ARG A 86 -1.044 -10.501 7.356 1.00 0.00 C ATOM 1362 CD ARG A 86 -0.777 -11.868 7.966 1.00 0.00 C ATOM 1363 NE ARG A 86 -1.415 -12.019 9.271 1.00 0.00 N ATOM 1364 CZ ARG A 86 -1.481 -13.171 9.928 1.00 0.00 C ATOM 1365 NH1 ARG A 86 -0.949 -14.268 9.405 1.00 0.00 N ATOM 1366 NH2 ARG A 86 -2.078 -13.229 11.111 1.00 0.00 N ATOM 0 H ARG A 86 -2.115 -8.222 8.373 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.387 -9.788 9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.036 -8.624 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.949 -9.900 7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.057 -10.183 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.987 -10.569 6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.142 -12.643 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.298 -12.015 8.069 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.833 -11.194 9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.488 -14.228 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.001 -15.152 9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.487 -12.388 11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.128 -14.115 11.614 1.00 0.00 H new ATOM 1380 N LEU A 87 0.544 -6.702 9.432 1.00 0.00 N ATOM 1381 CA LEU A 87 1.517 -5.681 9.809 1.00 0.00 C ATOM 1382 C LEU A 87 1.127 -5.017 11.125 1.00 0.00 C ATOM 1383 O LEU A 87 1.444 -3.852 11.362 1.00 0.00 O ATOM 1384 CB LEU A 87 1.632 -4.627 8.706 1.00 0.00 C ATOM 1385 CG LEU A 87 2.315 -5.078 7.415 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.795 -4.279 6.229 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.825 -4.939 7.533 1.00 0.00 C ATOM 0 H LEU A 87 -0.277 -6.343 8.946 1.00 0.00 H new ATOM 0 HA LEU A 87 2.484 -6.166 9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.630 -4.277 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.179 -3.772 9.104 1.00 0.00 H new ATOM 0 HG LEU A 87 2.079 -6.129 7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.292 -4.614 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.720 -4.430 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.000 -3.220 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.294 -5.265 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.081 -3.896 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.184 -5.556 8.357 1.00 0.00 H new ATOM 1399 N ASN A 88 0.438 -5.767 11.979 1.00 0.00 N ATOM 1400 CA ASN A 88 0.006 -5.251 13.273 1.00 0.00 C ATOM 1401 C ASN A 88 -0.526 -3.828 13.141 1.00 0.00 C ATOM 1402 O ASN A 88 -0.363 -3.006 14.044 1.00 0.00 O ATOM 1403 CB ASN A 88 1.165 -5.284 14.271 1.00 0.00 C ATOM 1404 CG ASN A 88 1.948 -6.581 14.206 1.00 0.00 C ATOM 1405 OD1 ASN A 88 1.519 -7.547 13.575 1.00 0.00 O ATOM 1406 ND2 ASN A 88 3.103 -6.609 14.862 1.00 0.00 N ATOM 0 H ASN A 88 0.167 -6.734 11.798 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.799 -5.888 13.640 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.835 -4.448 14.073 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.776 -5.148 15.280 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.673 -7.455 14.855 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.420 -5.785 15.372 1.00 0.00 H new ATOM 1413 N PHE A 89 -1.164 -3.543 12.010 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.720 -2.219 11.759 1.00 0.00 C ATOM 1415 C PHE A 89 -3.245 -2.251 11.806 1.00 0.00 C ATOM 1416 O PHE A 89 -3.871 -3.200 11.334 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.252 -1.694 10.400 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.183 -0.196 10.327 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -2.299 0.546 9.974 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -0.003 0.472 10.612 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -2.238 1.925 9.905 1.00 0.00 C ATOM 1422 CE2 PHE A 89 0.064 1.851 10.545 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.056 2.578 10.192 1.00 0.00 C ATOM 0 H PHE A 89 -1.308 -4.211 11.253 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.363 -1.549 12.542 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.267 -2.106 10.180 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.929 -2.057 9.627 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.227 0.041 9.750 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.875 -0.092 10.890 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.114 2.491 9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.991 2.359 10.768 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.007 3.656 10.141 1.00 0.00 H new ATOM 1433 N SER A 90 -3.836 -1.208 12.380 1.00 0.00 N ATOM 1434 CA SER A 90 -5.287 -1.119 12.493 1.00 0.00 C ATOM 1435 C SER A 90 -5.783 0.254 12.049 1.00 0.00 C ATOM 1436 O SER A 90 -5.247 1.283 12.459 1.00 0.00 O ATOM 1437 CB SER A 90 -5.725 -1.391 13.934 1.00 0.00 C ATOM 1438 OG SER A 90 -5.328 -2.685 14.352 1.00 0.00 O ATOM 0 H SER A 90 -3.333 -0.413 12.774 1.00 0.00 H new ATOM 0 HA SER A 90 -5.725 -1.873 11.839 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.291 -0.642 14.597 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.808 -1.297 14.012 1.00 0.00 H new ATOM 0 HG SER A 90 -5.618 -2.834 15.276 1.00 0.00 H new ATOM 1444 N VAL A 91 -6.812 0.261 11.207 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.382 1.506 10.707 1.00 0.00 C ATOM 1446 C VAL A 91 -8.897 1.524 10.879 1.00 0.00 C ATOM 1447 O VAL A 91 -9.599 0.578 10.523 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.043 1.721 9.220 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -8.003 2.720 8.593 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.602 2.183 9.064 1.00 0.00 C ATOM 0 H VAL A 91 -7.268 -0.582 10.857 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.943 2.313 11.293 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.154 0.770 8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.748 2.859 7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.023 2.344 8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.927 3.674 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.379 2.330 8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.461 3.122 9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.931 1.428 9.474 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.415 2.628 11.439 1.00 0.00 N ATOM 1461 CA PRO A 92 -10.852 2.798 11.670 1.00 0.00 C ATOM 1462 C PRO A 92 -11.632 2.971 10.372 1.00 0.00 C ATOM 1463 O PRO A 92 -11.122 3.527 9.399 1.00 0.00 O ATOM 1464 CB PRO A 92 -10.928 4.073 12.513 1.00 0.00 C ATOM 1465 CG PRO A 92 -9.692 4.830 12.166 1.00 0.00 C ATOM 1466 CD PRO A 92 -8.637 3.795 11.887 1.00 0.00 C ATOM 0 HA PRO A 92 -11.293 1.925 12.152 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.824 4.649 12.280 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.965 3.842 13.578 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.855 5.465 11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.391 5.483 12.985 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.938 4.130 11.121 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.050 3.569 12.777 1.00 0.00 H new ATOM 1474 N ASP A 93 -12.871 2.492 10.363 1.00 0.00 N ATOM 1475 CA ASP A 93 -13.723 2.595 9.183 1.00 0.00 C ATOM 1476 C ASP A 93 -13.969 4.056 8.817 1.00 0.00 C ATOM 1477 O ASP A 93 -14.087 4.400 7.641 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.056 1.886 9.426 1.00 0.00 C ATOM 1479 CG ASP A 93 -14.931 0.377 9.347 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -14.748 -0.146 8.228 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -15.015 -0.281 10.405 1.00 0.00 O ATOM 0 H ASP A 93 -13.308 2.028 11.159 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.210 2.112 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.439 2.165 10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.785 2.226 8.691 1.00 0.00 H new ATOM 1486 N ASP A 94 -14.048 4.909 9.832 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.281 6.333 9.618 1.00 0.00 C ATOM 1488 C ASP A 94 -13.187 6.936 8.742 1.00 0.00 C ATOM 1489 O ASP A 94 -13.451 7.806 7.912 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.343 7.069 10.957 1.00 0.00 C ATOM 1491 CG ASP A 94 -15.387 6.487 11.889 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -16.593 6.628 11.592 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -15.000 5.891 12.916 1.00 0.00 O ATOM 0 H ASP A 94 -13.954 4.640 10.811 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.236 6.447 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.366 7.025 11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.564 8.122 10.780 1.00 0.00 H new ATOM 1498 N VAL A 95 -11.957 6.470 8.934 1.00 0.00 N ATOM 1499 CA VAL A 95 -10.823 6.963 8.162 1.00 0.00 C ATOM 1500 C VAL A 95 -10.870 6.450 6.727 1.00 0.00 C ATOM 1501 O VAL A 95 -10.619 7.197 5.781 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.485 6.546 8.800 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.350 6.677 7.796 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.207 7.377 10.044 1.00 0.00 C ATOM 0 H VAL A 95 -11.721 5.751 9.618 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.892 8.051 8.159 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.555 5.500 9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.413 6.378 8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.547 6.035 6.938 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.275 7.713 7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.258 7.069 10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.157 8.432 9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -10.007 7.226 10.769 1.00 0.00 H new ATOM 1514 N MET A 96 -11.195 5.170 6.572 1.00 0.00 N ATOM 1515 CA MET A 96 -11.277 4.557 5.251 1.00 0.00 C ATOM 1516 C MET A 96 -12.285 5.291 4.373 1.00 0.00 C ATOM 1517 O MET A 96 -12.011 5.585 3.210 1.00 0.00 O ATOM 1518 CB MET A 96 -11.666 3.083 5.373 1.00 0.00 C ATOM 1519 CG MET A 96 -10.680 2.259 6.185 1.00 0.00 C ATOM 1520 SD MET A 96 -10.622 0.534 5.665 1.00 0.00 S ATOM 1521 CE MET A 96 -11.286 -0.280 7.116 1.00 0.00 C ATOM 0 H MET A 96 -11.406 4.538 7.344 1.00 0.00 H new ATOM 0 HA MET A 96 -10.295 4.628 4.783 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.651 3.013 5.834 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.750 2.654 4.374 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.686 2.696 6.093 1.00 0.00 H new ATOM 0 HG3 MET A 96 -10.953 2.308 7.239 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.135 -1.356 7.031 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.776 0.089 8.006 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.352 -0.069 7.196 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.453 5.583 4.938 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.502 6.280 4.205 1.00 0.00 C ATOM 1533 C ARG A 97 -13.941 7.501 3.481 1.00 0.00 C ATOM 1534 O ARG A 97 -14.305 7.780 2.338 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.620 6.709 5.158 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.542 5.572 5.566 1.00 0.00 C ATOM 1537 CD ARG A 97 -17.805 6.091 6.236 1.00 0.00 C ATOM 1538 NE ARG A 97 -18.939 5.192 6.037 1.00 0.00 N ATOM 1539 CZ ARG A 97 -19.660 5.155 4.922 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -19.367 5.962 3.911 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -20.677 4.310 4.817 1.00 0.00 N ATOM 0 H ARG A 97 -13.696 5.347 5.900 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.909 5.594 3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.176 7.144 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.211 7.492 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.810 4.986 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.016 4.903 6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.624 6.215 7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.049 7.076 5.837 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.191 4.558 6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.586 6.614 3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -19.923 5.931 3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.906 3.688 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.230 4.282 3.961 1.00 0.00 H new ATOM 1555 N LYS A 98 -13.053 8.225 4.153 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.440 9.414 3.575 1.00 0.00 C ATOM 1557 C LYS A 98 -11.428 9.037 2.498 1.00 0.00 C ATOM 1558 O LYS A 98 -11.413 9.621 1.415 1.00 0.00 O ATOM 1559 CB LYS A 98 -11.755 10.242 4.665 1.00 0.00 C ATOM 1560 CG LYS A 98 -12.633 10.495 5.878 1.00 0.00 C ATOM 1561 CD LYS A 98 -11.803 10.735 7.128 1.00 0.00 C ATOM 1562 CE LYS A 98 -11.462 12.207 7.297 1.00 0.00 C ATOM 1563 NZ LYS A 98 -10.579 12.441 8.473 1.00 0.00 N ATOM 0 H LYS A 98 -12.742 8.009 5.100 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.228 10.010 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.848 9.728 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.448 11.199 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.271 11.359 5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.291 9.641 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -12.351 10.385 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.884 10.152 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.970 12.571 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.381 12.782 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.370 13.457 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.058 12.117 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.691 11.913 8.351 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.585 8.055 2.803 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.572 7.599 1.859 1.00 0.00 C ATOM 1579 C ILE A 99 -10.190 7.278 0.502 1.00 0.00 C ATOM 1580 O ILE A 99 -9.671 7.680 -0.538 1.00 0.00 O ATOM 1581 CB ILE A 99 -8.836 6.352 2.384 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -7.877 6.736 3.512 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -8.084 5.666 1.253 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.357 5.549 4.293 1.00 0.00 C ATOM 0 H ILE A 99 -10.584 7.561 3.695 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.856 8.413 1.745 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.573 5.654 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.033 7.281 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.386 7.416 4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.569 4.787 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.789 5.363 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.355 6.357 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.683 5.896 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.194 5.016 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.819 4.879 3.622 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.303 6.551 0.522 1.00 0.00 N ATOM 1597 CA ALA A 100 -11.994 6.179 -0.706 1.00 0.00 C ATOM 1598 C ALA A 100 -12.600 7.402 -1.387 1.00 0.00 C ATOM 1599 O ALA A 100 -12.848 7.392 -2.592 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.072 5.147 -0.413 1.00 0.00 C ATOM 0 H ALA A 100 -11.745 6.208 1.375 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.264 5.742 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.580 4.878 -1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.616 4.258 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.794 5.564 0.289 1.00 0.00 H new ATOM 1606 N GLN A 101 -12.836 8.451 -0.607 1.00 0.00 N ATOM 1607 CA GLN A 101 -13.415 9.681 -1.135 1.00 0.00 C ATOM 1608 C GLN A 101 -12.346 10.546 -1.796 1.00 0.00 C ATOM 1609 O GLN A 101 -12.633 11.639 -2.284 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.105 10.466 -0.019 1.00 0.00 C ATOM 1611 CG GLN A 101 -15.569 10.102 0.166 1.00 0.00 C ATOM 1612 CD GLN A 101 -16.484 10.870 -0.768 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -17.088 11.870 -0.380 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -16.590 10.405 -2.007 1.00 0.00 N ATOM 0 H GLN A 101 -12.635 8.474 0.393 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.154 9.410 -1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.575 10.292 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.029 11.532 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -15.698 9.033 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -15.861 10.299 1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -16.071 9.572 -2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -17.191 10.880 -2.681 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.114 10.049 -1.807 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.001 10.777 -2.406 1.00 0.00 C ATOM 1625 C CYS A 102 -9.771 12.104 -1.690 1.00 0.00 C ATOM 1626 O CYS A 102 -9.648 13.151 -2.326 1.00 0.00 O ATOM 1627 CB CYS A 102 -10.268 11.025 -3.892 1.00 0.00 C ATOM 1628 SG CYS A 102 -9.850 9.627 -4.960 1.00 0.00 S ATOM 0 H CYS A 102 -10.861 9.145 -1.408 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.103 10.168 -2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.322 11.268 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.697 11.897 -4.212 1.00 0.00 H new ATOM 0 HG CYS A 102 -10.112 9.932 -6.196 1.00 0.00 H new ATOM 1634 N ALA A 103 -9.716 12.053 -0.363 1.00 0.00 N ATOM 1635 CA ALA A 103 -9.500 13.250 0.439 1.00 0.00 C ATOM 1636 C ALA A 103 -8.012 13.523 0.629 1.00 0.00 C ATOM 1637 O ALA A 103 -7.212 12.613 0.847 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.190 13.112 1.788 1.00 0.00 C ATOM 0 H ALA A 103 -9.818 11.195 0.179 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.932 14.097 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.021 14.013 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.260 12.973 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.784 12.250 2.318 1.00 0.00 H new ATOM 1644 N PRO A 104 -7.630 14.806 0.544 1.00 0.00 N ATOM 1645 CA PRO A 104 -6.235 15.228 0.703 1.00 0.00 C ATOM 1646 C PRO A 104 -5.743 15.075 2.138 1.00 0.00 C ATOM 1647 O PRO A 104 -6.336 15.618 3.069 1.00 0.00 O ATOM 1648 CB PRO A 104 -6.264 16.706 0.302 1.00 0.00 C ATOM 1649 CG PRO A 104 -7.664 17.141 0.563 1.00 0.00 C ATOM 1650 CD PRO A 104 -8.529 15.943 0.286 1.00 0.00 C ATOM 0 HA PRO A 104 -5.555 14.623 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.553 17.289 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.998 16.837 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.782 17.478 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.939 17.978 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.403 15.920 0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.895 15.941 -0.741 1.00 0.00 H new ATOM 1658 N GLY A 105 -4.654 14.332 2.310 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.100 14.121 3.635 1.00 0.00 C ATOM 1660 C GLY A 105 -4.476 12.771 4.212 1.00 0.00 C ATOM 1661 O GLY A 105 -3.608 11.952 4.511 1.00 0.00 O ATOM 0 H GLY A 105 -4.145 13.872 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.014 14.203 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.451 14.908 4.302 1.00 0.00 H new ATOM 1665 N VAL A 106 -5.775 12.538 4.371 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.265 11.278 4.917 1.00 0.00 C ATOM 1667 C VAL A 106 -5.372 10.115 4.501 1.00 0.00 C ATOM 1668 O VAL A 106 -4.614 9.579 5.310 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.708 10.991 4.461 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.234 9.724 5.117 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.610 12.176 4.772 1.00 0.00 C ATOM 0 H VAL A 106 -6.507 13.206 4.129 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.248 11.376 6.002 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.706 10.838 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.255 9.538 4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.602 8.881 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.223 9.844 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.626 11.956 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.609 12.362 5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.243 13.060 4.250 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.465 9.729 3.232 1.00 0.00 N ATOM 1682 CA VAL A 107 -4.664 8.630 2.707 1.00 0.00 C ATOM 1683 C VAL A 107 -3.215 8.736 3.168 1.00 0.00 C ATOM 1684 O VAL A 107 -2.640 7.770 3.669 1.00 0.00 O ATOM 1685 CB VAL A 107 -4.700 8.595 1.167 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.123 9.879 0.590 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -3.947 7.381 0.644 1.00 0.00 C ATOM 0 H VAL A 107 -6.087 10.161 2.549 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.099 7.709 3.095 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.739 8.515 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.157 9.836 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.709 10.730 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.089 9.992 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.983 7.372 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.909 7.427 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.409 6.472 1.029 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.630 9.918 2.996 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.247 10.150 3.395 1.00 0.00 C ATOM 1699 C GLU A 108 -1.023 9.740 4.847 1.00 0.00 C ATOM 1700 O GLU A 108 -0.042 9.069 5.171 1.00 0.00 O ATOM 1701 CB GLU A 108 -0.879 11.623 3.207 1.00 0.00 C ATOM 1702 CG GLU A 108 -1.143 12.142 1.804 1.00 0.00 C ATOM 1703 CD GLU A 108 -0.480 13.481 1.542 1.00 0.00 C ATOM 1704 OE1 GLU A 108 0.713 13.627 1.881 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -1.154 14.382 1.000 1.00 0.00 O ATOM 0 H GLU A 108 -3.092 10.728 2.584 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.606 9.539 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.444 12.224 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.177 11.758 3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.782 11.414 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.218 12.237 1.652 1.00 0.00 H new ATOM 1712 N LEU A 109 -1.939 10.148 5.719 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.843 9.824 7.138 1.00 0.00 C ATOM 1714 C LEU A 109 -1.688 8.321 7.344 1.00 0.00 C ATOM 1715 O LEU A 109 -1.283 7.869 8.415 1.00 0.00 O ATOM 1716 CB LEU A 109 -3.082 10.327 7.881 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.245 11.845 7.963 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.305 12.213 8.990 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -1.917 12.506 8.305 1.00 0.00 C ATOM 0 H LEU A 109 -2.757 10.704 5.468 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.960 10.320 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.965 9.912 7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.059 9.929 8.895 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.570 12.210 6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.407 13.297 9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.259 11.770 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.010 11.836 9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.052 13.586 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.563 12.136 9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.184 12.270 7.534 1.00 0.00 H new ATOM 1731 N VAL A 110 -2.010 7.550 6.310 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.904 6.097 6.376 1.00 0.00 C ATOM 1733 C VAL A 110 -0.700 5.598 5.585 1.00 0.00 C ATOM 1734 O VAL A 110 -0.224 4.482 5.795 1.00 0.00 O ATOM 1735 CB VAL A 110 -3.176 5.416 5.838 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.995 3.906 5.794 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.381 5.792 6.687 1.00 0.00 C ATOM 0 H VAL A 110 -2.347 7.908 5.416 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.779 5.836 7.427 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.353 5.767 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.904 3.442 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.158 3.659 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.793 3.534 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.271 5.302 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.216 5.471 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.521 6.873 6.662 1.00 0.00 H new ATOM 1747 N LEU A 111 -0.211 6.432 4.674 1.00 0.00 N ATOM 1748 CA LEU A 111 0.940 6.076 3.850 1.00 0.00 C ATOM 1749 C LEU A 111 2.245 6.335 4.596 1.00 0.00 C ATOM 1750 O LEU A 111 3.181 5.538 4.524 1.00 0.00 O ATOM 1751 CB LEU A 111 0.920 6.870 2.542 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.323 6.695 1.669 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.358 7.749 0.574 1.00 0.00 C ATOM 1754 CD2 LEU A 111 -0.360 5.298 1.068 1.00 0.00 C ATOM 0 H LEU A 111 -0.593 7.359 4.487 1.00 0.00 H new ATOM 0 HA LEU A 111 0.878 5.012 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.025 7.928 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.794 6.587 1.955 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.205 6.822 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.249 7.609 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.379 8.741 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.530 7.654 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.251 5.191 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.528 5.142 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.383 4.558 1.868 1.00 0.00 H new ATOM 1766 N ILE A 112 2.299 7.453 5.313 1.00 0.00 N ATOM 1767 CA ILE A 112 3.487 7.814 6.075 1.00 0.00 C ATOM 1768 C ILE A 112 3.957 6.653 6.945 1.00 0.00 C ATOM 1769 O ILE A 112 5.090 6.182 6.837 1.00 0.00 O ATOM 1770 CB ILE A 112 3.231 9.040 6.971 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.565 10.329 6.216 1.00 0.00 C ATOM 1772 CG2 ILE A 112 4.048 8.942 8.250 1.00 0.00 C ATOM 1773 CD1 ILE A 112 3.083 11.581 6.915 1.00 0.00 C ATOM 0 H ILE A 112 1.534 8.124 5.382 1.00 0.00 H new ATOM 0 HA ILE A 112 4.263 8.059 5.350 1.00 0.00 H new ATOM 0 HB ILE A 112 2.175 9.061 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.645 10.391 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.121 10.284 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.856 9.816 8.872 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.766 8.040 8.794 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.109 8.899 8.002 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.354 12.455 6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 112 2.000 11.541 7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.547 11.650 7.899 1.00 0.00 H new ATOM 1785 N PRO A 113 3.067 6.177 7.828 1.00 0.00 N ATOM 1786 CA PRO A 113 3.366 5.063 8.732 1.00 0.00 C ATOM 1787 C PRO A 113 3.491 3.735 7.994 1.00 0.00 C ATOM 1788 O PRO A 113 4.120 2.796 8.485 1.00 0.00 O ATOM 1789 CB PRO A 113 2.162 5.039 9.677 1.00 0.00 C ATOM 1790 CG PRO A 113 1.055 5.657 8.895 1.00 0.00 C ATOM 1791 CD PRO A 113 1.698 6.690 8.011 1.00 0.00 C ATOM 0 HA PRO A 113 4.321 5.196 9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.914 4.021 9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.364 5.600 10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.531 4.908 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.318 6.113 9.556 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.175 6.787 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.697 7.675 8.477 1.00 0.00 H new ATOM 1799 N LEU A 114 2.888 3.661 6.813 1.00 0.00 N ATOM 1800 CA LEU A 114 2.932 2.446 6.005 1.00 0.00 C ATOM 1801 C LEU A 114 4.373 2.018 5.744 1.00 0.00 C ATOM 1802 O LEU A 114 4.785 0.924 6.129 1.00 0.00 O ATOM 1803 CB LEU A 114 2.205 2.666 4.678 1.00 0.00 C ATOM 1804 CG LEU A 114 1.966 1.417 3.829 1.00 0.00 C ATOM 1805 CD1 LEU A 114 0.908 0.532 4.467 1.00 0.00 C ATOM 1806 CD2 LEU A 114 1.559 1.804 2.414 1.00 0.00 C ATOM 0 H LEU A 114 2.363 4.428 6.393 1.00 0.00 H new ATOM 0 HA LEU A 114 2.431 1.652 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 114 1.241 3.129 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.779 3.379 4.086 1.00 0.00 H new ATOM 0 HG LEU A 114 2.897 0.853 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.752 -0.352 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.239 0.226 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.027 1.086 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.393 0.903 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.641 2.390 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.351 2.396 1.957 1.00 0.00 H new ATOM 1818 N ARG A 115 5.134 2.889 5.090 1.00 0.00 N ATOM 1819 CA ARG A 115 6.529 2.601 4.779 1.00 0.00 C ATOM 1820 C ARG A 115 7.329 2.347 6.053 1.00 0.00 C ATOM 1821 O ARG A 115 8.182 1.461 6.094 1.00 0.00 O ATOM 1822 CB ARG A 115 7.149 3.761 3.997 1.00 0.00 C ATOM 1823 CG ARG A 115 7.307 5.031 4.816 1.00 0.00 C ATOM 1824 CD ARG A 115 8.668 5.092 5.493 1.00 0.00 C ATOM 1825 NE ARG A 115 8.845 6.325 6.256 1.00 0.00 N ATOM 1826 CZ ARG A 115 9.979 6.658 6.862 1.00 0.00 C ATOM 1827 NH1 ARG A 115 11.031 5.854 6.795 1.00 0.00 N ATOM 1828 NH2 ARG A 115 10.062 7.797 7.538 1.00 0.00 N ATOM 0 H ARG A 115 4.808 3.799 4.765 1.00 0.00 H new ATOM 0 HA ARG A 115 6.560 1.700 4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 115 8.126 3.455 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.528 3.975 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 115 7.182 5.900 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 115 6.522 5.079 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.781 4.235 6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 115 9.452 5.017 4.739 1.00 0.00 H new ATOM 0 HE ARG A 115 8.054 6.965 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 115 10.971 4.977 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 115 11.901 6.112 7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 115 9.254 8.418 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 115 10.933 8.052 8.003 1.00 0.00 H new ATOM 1842 N GLN A 116 7.048 3.131 7.089 1.00 0.00 N ATOM 1843 CA GLN A 116 7.742 2.991 8.363 1.00 0.00 C ATOM 1844 C GLN A 116 7.707 1.545 8.847 1.00 0.00 C ATOM 1845 O GLN A 116 8.504 1.144 9.695 1.00 0.00 O ATOM 1846 CB GLN A 116 7.114 3.908 9.414 1.00 0.00 C ATOM 1847 CG GLN A 116 7.705 5.309 9.430 1.00 0.00 C ATOM 1848 CD GLN A 116 7.586 5.977 10.785 1.00 0.00 C ATOM 1849 OE1 GLN A 116 6.562 6.581 11.105 1.00 0.00 O ATOM 1850 NE2 GLN A 116 8.636 5.871 11.592 1.00 0.00 N ATOM 0 H GLN A 116 6.345 3.869 7.071 1.00 0.00 H new ATOM 0 HA GLN A 116 8.782 3.280 8.214 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.042 3.977 9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.240 3.458 10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.756 5.259 9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.200 5.921 8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 116 9.465 5.361 11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 116 8.613 6.300 12.517 1.00 0.00 H new ATOM 1859 N ARG A 117 6.777 0.767 8.302 1.00 0.00 N ATOM 1860 CA ARG A 117 6.636 -0.634 8.679 1.00 0.00 C ATOM 1861 C ARG A 117 7.359 -1.540 7.687 1.00 0.00 C ATOM 1862 O ARG A 117 8.135 -2.414 8.077 1.00 0.00 O ATOM 1863 CB ARG A 117 5.158 -1.019 8.754 1.00 0.00 C ATOM 1864 CG ARG A 117 4.470 -0.550 10.025 1.00 0.00 C ATOM 1865 CD ARG A 117 4.951 -1.330 11.239 1.00 0.00 C ATOM 1866 NE ARG A 117 4.567 -2.738 11.172 1.00 0.00 N ATOM 1867 CZ ARG A 117 5.133 -3.690 11.906 1.00 0.00 C ATOM 1868 NH1 ARG A 117 6.103 -3.386 12.757 1.00 0.00 N ATOM 1869 NH2 ARG A 117 4.729 -4.948 11.789 1.00 0.00 N ATOM 0 H ARG A 117 6.110 1.084 7.598 1.00 0.00 H new ATOM 0 HA ARG A 117 7.089 -0.766 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.638 -0.599 7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.070 -2.103 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.663 0.512 10.174 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.391 -0.666 9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.036 -1.253 11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.538 -0.884 12.144 1.00 0.00 H new ATOM 0 HE ARG A 117 3.824 -3.005 10.526 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.416 -2.420 12.849 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.536 -4.118 13.319 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.983 -5.185 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.164 -5.678 12.353 1.00 0.00 H new ATOM 1883 N LEU A 118 7.100 -1.326 6.401 1.00 0.00 N ATOM 1884 CA LEU A 118 7.725 -2.123 5.352 1.00 0.00 C ATOM 1885 C LEU A 118 9.245 -2.007 5.412 1.00 0.00 C ATOM 1886 O LEU A 118 9.959 -2.993 5.234 1.00 0.00 O ATOM 1887 CB LEU A 118 7.222 -1.677 3.977 1.00 0.00 C ATOM 1888 CG LEU A 118 5.720 -1.826 3.732 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.311 -1.092 2.464 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.337 -3.296 3.646 1.00 0.00 C ATOM 0 H LEU A 118 6.461 -0.607 6.060 1.00 0.00 H new ATOM 0 HA LEU A 118 7.452 -3.166 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.491 -0.630 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.753 -2.248 3.215 1.00 0.00 H new ATOM 0 HG LEU A 118 5.188 -1.381 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.239 -1.209 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.550 -0.033 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.851 -1.507 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.265 -3.383 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 118 5.878 -3.765 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.594 -3.794 4.581 1.00 0.00 H new ATOM 1902 N GLU A 119 9.731 -0.796 5.665 1.00 0.00 N ATOM 1903 CA GLU A 119 11.166 -0.552 5.750 1.00 0.00 C ATOM 1904 C GLU A 119 11.758 -1.215 6.991 1.00 0.00 C ATOM 1905 O GLU A 119 12.956 -1.488 7.048 1.00 0.00 O ATOM 1906 CB GLU A 119 11.450 0.951 5.778 1.00 0.00 C ATOM 1907 CG GLU A 119 10.899 1.697 4.574 1.00 0.00 C ATOM 1908 CD GLU A 119 11.718 2.923 4.221 1.00 0.00 C ATOM 1909 OE1 GLU A 119 11.626 3.929 4.956 1.00 0.00 O ATOM 1910 OE2 GLU A 119 12.451 2.877 3.212 1.00 0.00 O ATOM 0 H GLU A 119 9.153 0.031 5.815 1.00 0.00 H new ATOM 0 HA GLU A 119 11.635 -0.987 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.022 1.376 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.527 1.108 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.871 1.025 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.871 1.998 4.777 1.00 0.00 H new ATOM 1917 N GLU A 120 10.908 -1.470 7.981 1.00 0.00 N ATOM 1918 CA GLU A 120 11.348 -2.099 9.221 1.00 0.00 C ATOM 1919 C GLU A 120 11.405 -3.617 9.070 1.00 0.00 C ATOM 1920 O GLU A 120 12.332 -4.265 9.556 1.00 0.00 O ATOM 1921 CB GLU A 120 10.409 -1.725 10.370 1.00 0.00 C ATOM 1922 CG GLU A 120 10.826 -0.465 11.110 1.00 0.00 C ATOM 1923 CD GLU A 120 11.149 0.682 10.174 1.00 0.00 C ATOM 1924 OE1 GLU A 120 11.861 0.449 9.174 1.00 0.00 O ATOM 1925 OE2 GLU A 120 10.691 1.813 10.439 1.00 0.00 O ATOM 0 H GLU A 120 9.912 -1.251 7.949 1.00 0.00 H new ATOM 0 HA GLU A 120 12.350 -1.735 9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.402 -1.588 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 120 10.365 -2.554 11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.025 -0.163 11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.698 -0.682 11.727 1.00 0.00 H new ATOM 1932 N ARG A 121 10.407 -4.176 8.394 1.00 0.00 N ATOM 1933 CA ARG A 121 10.342 -5.617 8.181 1.00 0.00 C ATOM 1934 C ARG A 121 11.388 -6.064 7.163 1.00 0.00 C ATOM 1935 O ARG A 121 12.073 -7.066 7.363 1.00 0.00 O ATOM 1936 CB ARG A 121 8.946 -6.021 7.703 1.00 0.00 C ATOM 1937 CG ARG A 121 7.987 -6.351 8.836 1.00 0.00 C ATOM 1938 CD ARG A 121 6.708 -6.989 8.315 1.00 0.00 C ATOM 1939 NE ARG A 121 6.879 -8.414 8.045 1.00 0.00 N ATOM 1940 CZ ARG A 121 7.029 -9.329 8.997 1.00 0.00 C ATOM 1941 NH1 ARG A 121 7.030 -8.969 10.273 1.00 0.00 N ATOM 1942 NH2 ARG A 121 7.179 -10.607 8.672 1.00 0.00 N ATOM 0 H ARG A 121 9.633 -3.653 7.985 1.00 0.00 H new ATOM 0 HA ARG A 121 10.550 -6.109 9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.526 -5.210 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 121 9.032 -6.887 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 121 8.472 -7.028 9.539 1.00 0.00 H new ATOM 0 HG3 ARG A 121 7.744 -5.441 9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 121 5.911 -6.851 9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 121 6.395 -6.482 7.402 1.00 0.00 H new ATOM 0 HE ARG A 121 6.884 -8.724 7.073 1.00 0.00 H new ATOM 0 HH11 ARG A 121 6.915 -7.988 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 121 7.145 -9.673 11.002 1.00 0.00 H new ATOM 0 HH21 ARG A 121 7.179 -10.887 7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 121 7.294 -11.309 9.403 1.00 0.00 H new ATOM 1956 N GLN A 122 11.503 -5.313 6.073 1.00 0.00 N ATOM 1957 CA GLN A 122 12.464 -5.633 5.024 1.00 0.00 C ATOM 1958 C GLN A 122 13.788 -6.097 5.622 1.00 0.00 C ATOM 1959 O GLN A 122 14.295 -7.165 5.277 1.00 0.00 O ATOM 1960 CB GLN A 122 12.696 -4.416 4.127 1.00 0.00 C ATOM 1961 CG GLN A 122 13.787 -4.624 3.088 1.00 0.00 C ATOM 1962 CD GLN A 122 14.435 -3.324 2.655 1.00 0.00 C ATOM 1963 OE1 GLN A 122 14.975 -2.582 3.475 1.00 0.00 O ATOM 1964 NE2 GLN A 122 14.386 -3.041 1.358 1.00 0.00 N ATOM 0 H GLN A 122 10.943 -4.479 5.893 1.00 0.00 H new ATOM 0 HA GLN A 122 12.052 -6.445 4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 122 11.765 -4.167 3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 122 12.958 -3.561 4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 122 14.550 -5.288 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 122 13.363 -5.122 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 122 13.928 -3.685 0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 122 14.806 -2.180 1.008 1.00 0.00 H new