USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=14 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 :FLIP amide:sc= -3.68! C(o=-6.4!,f=-3.9!) USER MOD Set 1.2: A 96 MET CE :methyl -153:sc= -0.264 (180deg=0) USER MOD Set 2.1: A 70 GLN : amide:sc= -4.85! C(o=-5.4!,f=-8.3!) USER MOD Set 2.2: A 71 GLN : amide:sc= -0.56 K(o=-5.4,f=-7) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 130:sc= -0.937 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0.123 (180deg=0.123) USER MOD Single : A 53 TYR OH : rot -31:sc= 0.299 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 141:sc= -0.513 (180deg=-1.76!) USER MOD Single : A 60 MET CE :methyl 139:sc= -4.78! (180deg=-7.27!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 62 ASN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 63 TYR OH : rot 165:sc= -1.33 USER MOD Single : A 67 ASN : amide:sc= -0.062 X(o=-0.062,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.115 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.389 (180deg=-0.46) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 1.07 K(o=1.1,f=-1.2) USER MOD Single : A 78 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=0) 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 K(o=0,f=-1) 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 :FLIP amide:sc= -1.69 F(o=-2.6!,f=-1.7) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -1.37! C(o=-1.4!,f=-2.1!) USER MOD Single : A 122 GLN : amide:sc= -1 K(o=-1,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 8.159 14.905 0.720 1.00 0.00 N ATOM 221 CA GLN A 19 9.080 13.843 1.105 1.00 0.00 C ATOM 222 C GLN A 19 8.451 12.471 0.888 1.00 0.00 C ATOM 223 O GLN A 19 9.146 11.496 0.599 1.00 0.00 O ATOM 224 CB GLN A 19 9.492 14.002 2.570 1.00 0.00 C ATOM 225 CG GLN A 19 10.360 15.223 2.828 1.00 0.00 C ATOM 226 CD GLN A 19 11.834 14.950 2.603 1.00 0.00 C ATOM 227 OE1 GLN A 19 12.471 14.237 3.379 1.00 0.00 O ATOM 228 NE2 GLN A 19 12.385 15.516 1.535 1.00 0.00 N ATOM 0 HA GLN A 19 9.966 13.920 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.595 14.067 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.032 13.109 2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.041 16.035 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.209 15.561 3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.820 16.100 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.373 15.367 1.332 1.00 0.00 H new ATOM 237 N LEU A 20 7.132 12.401 1.029 1.00 0.00 N ATOM 238 CA LEU A 20 6.408 11.148 0.849 1.00 0.00 C ATOM 239 C LEU A 20 6.126 10.890 -0.628 1.00 0.00 C ATOM 240 O LEU A 20 6.117 9.744 -1.078 1.00 0.00 O ATOM 241 CB LEU A 20 5.095 11.177 1.633 1.00 0.00 C ATOM 242 CG LEU A 20 4.088 10.077 1.296 1.00 0.00 C ATOM 243 CD1 LEU A 20 4.314 8.857 2.175 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.664 10.593 1.451 1.00 0.00 C ATOM 0 H LEU A 20 6.542 13.198 1.268 1.00 0.00 H new ATOM 0 HA LEU A 20 7.032 10.339 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.328 11.115 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.617 12.143 1.467 1.00 0.00 H new ATOM 0 HG LEU A 20 4.236 9.782 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.588 8.085 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.322 8.474 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.195 9.136 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.960 9.797 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.504 10.916 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.507 11.435 0.777 1.00 0.00 H new ATOM 256 N TYR A 21 5.897 11.963 -1.377 1.00 0.00 N ATOM 257 CA TYR A 21 5.614 11.853 -2.803 1.00 0.00 C ATOM 258 C TYR A 21 6.838 11.351 -3.565 1.00 0.00 C ATOM 259 O TYR A 21 6.719 10.573 -4.512 1.00 0.00 O ATOM 260 CB TYR A 21 5.171 13.206 -3.363 1.00 0.00 C ATOM 261 CG TYR A 21 3.747 13.570 -3.008 1.00 0.00 C ATOM 262 CD1 TYR A 21 3.252 13.353 -1.728 1.00 0.00 C ATOM 263 CD2 TYR A 21 2.896 14.129 -3.954 1.00 0.00 C ATOM 264 CE1 TYR A 21 1.951 13.684 -1.400 1.00 0.00 C ATOM 265 CE2 TYR A 21 1.595 14.464 -3.634 1.00 0.00 C ATOM 266 CZ TYR A 21 1.127 14.239 -2.356 1.00 0.00 C ATOM 267 OH TYR A 21 -0.170 14.570 -2.035 1.00 0.00 O ATOM 0 H TYR A 21 5.902 12.919 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 21 4.807 11.132 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.840 13.981 -2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.274 13.192 -4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.895 12.918 -0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.258 14.304 -4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.582 13.509 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.947 14.900 -4.380 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.614 14.951 -2.821 1.00 0.00 H new ATOM 277 N LEU A 22 8.014 11.802 -3.143 1.00 0.00 N ATOM 278 CA LEU A 22 9.262 11.400 -3.783 1.00 0.00 C ATOM 279 C LEU A 22 9.477 9.895 -3.660 1.00 0.00 C ATOM 280 O LEU A 22 9.627 9.196 -4.662 1.00 0.00 O ATOM 281 CB LEU A 22 10.442 12.148 -3.160 1.00 0.00 C ATOM 282 CG LEU A 22 10.388 13.674 -3.241 1.00 0.00 C ATOM 283 CD1 LEU A 22 11.314 14.297 -2.207 1.00 0.00 C ATOM 284 CD2 LEU A 22 10.753 14.147 -4.640 1.00 0.00 C ATOM 0 H LEU A 22 8.130 12.446 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 22 9.197 11.654 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.514 11.862 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.358 11.811 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 22 9.369 13.994 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.262 15.383 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.007 13.985 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.337 13.969 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.709 15.235 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.762 13.815 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.049 13.730 -5.360 1.00 0.00 H new ATOM 296 N TRP A 23 9.488 9.404 -2.426 1.00 0.00 N ATOM 297 CA TRP A 23 9.682 7.981 -2.172 1.00 0.00 C ATOM 298 C TRP A 23 8.936 7.138 -3.201 1.00 0.00 C ATOM 299 O TRP A 23 9.460 6.140 -3.697 1.00 0.00 O ATOM 300 CB TRP A 23 9.208 7.624 -0.763 1.00 0.00 C ATOM 301 CG TRP A 23 8.860 6.175 -0.602 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.687 5.106 -0.804 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.594 5.636 -0.207 1.00 0.00 C ATOM 304 NE1 TRP A 23 9.010 3.936 -0.559 1.00 0.00 N ATOM 305 CE2 TRP A 23 7.725 4.233 -0.190 1.00 0.00 C ATOM 306 CE3 TRP A 23 6.363 6.201 0.136 1.00 0.00 C ATOM 307 CZ2 TRP A 23 6.671 3.392 0.155 1.00 0.00 C ATOM 308 CZ3 TRP A 23 5.318 5.364 0.478 1.00 0.00 C ATOM 309 CH2 TRP A 23 5.477 3.972 0.487 1.00 0.00 C ATOM 0 H TRP A 23 9.365 9.970 -1.586 1.00 0.00 H new ATOM 0 HA TRP A 23 10.747 7.765 -2.255 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.989 7.884 -0.048 1.00 0.00 H new ATOM 0 HB3 TRP A 23 8.336 8.229 -0.517 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.720 5.171 -1.111 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.401 2.997 -0.639 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.231 7.273 0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.791 2.319 0.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 4.362 5.790 0.743 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.641 3.345 0.761 1.00 0.00 H new ATOM 320 N VAL A 24 7.711 7.545 -3.518 1.00 0.00 N ATOM 321 CA VAL A 24 6.894 6.827 -4.490 1.00 0.00 C ATOM 322 C VAL A 24 7.508 6.899 -5.884 1.00 0.00 C ATOM 323 O VAL A 24 7.727 5.875 -6.530 1.00 0.00 O ATOM 324 CB VAL A 24 5.461 7.389 -4.542 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.674 6.739 -5.669 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.761 7.186 -3.206 1.00 0.00 C ATOM 0 H VAL A 24 7.262 8.368 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 24 6.857 5.787 -4.166 1.00 0.00 H new ATOM 0 HB VAL A 24 5.515 8.460 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.664 7.148 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.167 6.940 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.626 5.662 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.750 7.589 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.716 6.121 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.316 7.702 -2.422 1.00 0.00 H new ATOM 336 N ASP A 25 7.783 8.116 -6.341 1.00 0.00 N ATOM 337 CA ASP A 25 8.373 8.323 -7.658 1.00 0.00 C ATOM 338 C ASP A 25 9.593 7.429 -7.853 1.00 0.00 C ATOM 339 O ASP A 25 9.766 6.818 -8.907 1.00 0.00 O ATOM 340 CB ASP A 25 8.765 9.790 -7.840 1.00 0.00 C ATOM 341 CG ASP A 25 8.732 10.222 -9.293 1.00 0.00 C ATOM 342 OD1 ASP A 25 8.002 9.589 -10.083 1.00 0.00 O ATOM 343 OD2 ASP A 25 9.436 11.193 -9.640 1.00 0.00 O ATOM 0 H ASP A 25 7.607 8.974 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 25 7.628 8.059 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.088 10.418 -7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.766 9.948 -7.440 1.00 0.00 H new ATOM 348 N ASN A 26 10.438 7.357 -6.829 1.00 0.00 N ATOM 349 CA ASN A 26 11.644 6.539 -6.889 1.00 0.00 C ATOM 350 C ASN A 26 11.313 5.114 -7.321 1.00 0.00 C ATOM 351 O ASN A 26 11.877 4.601 -8.288 1.00 0.00 O ATOM 352 CB ASN A 26 12.342 6.522 -5.528 1.00 0.00 C ATOM 353 CG ASN A 26 13.315 5.368 -5.391 1.00 0.00 C ATOM 354 OD1 ASN A 26 13.166 4.515 -4.515 1.00 0.00 O ATOM 355 ND2 ASN A 26 14.320 5.335 -6.259 1.00 0.00 N ATOM 0 H ASN A 26 10.310 7.855 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 26 12.314 6.978 -7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.875 7.462 -5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.592 6.457 -4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.007 4.582 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.405 6.063 -6.969 1.00 0.00 H new ATOM 362 N ILE A 27 10.396 4.480 -6.598 1.00 0.00 N ATOM 363 CA ILE A 27 9.989 3.115 -6.908 1.00 0.00 C ATOM 364 C ILE A 27 9.413 3.019 -8.316 1.00 0.00 C ATOM 365 O ILE A 27 8.582 3.828 -8.730 1.00 0.00 O ATOM 366 CB ILE A 27 8.944 2.597 -5.901 1.00 0.00 C ATOM 367 CG1 ILE A 27 9.521 2.607 -4.484 1.00 0.00 C ATOM 368 CG2 ILE A 27 8.490 1.197 -6.284 1.00 0.00 C ATOM 369 CD1 ILE A 27 8.476 2.422 -3.406 1.00 0.00 C ATOM 0 H ILE A 27 9.921 4.890 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 27 10.884 2.496 -6.842 1.00 0.00 H new ATOM 0 HB ILE A 27 8.078 3.258 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.265 1.815 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.040 3.551 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.752 0.844 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.045 1.218 -7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.347 0.524 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.956 2.439 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.745 3.228 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.974 1.465 -3.547 1.00 0.00 H new ATOM 577 N ASP A 39 -4.869 9.072 -6.544 1.00 0.00 N ATOM 578 CA ASP A 39 -4.565 7.778 -7.144 1.00 0.00 C ATOM 579 C ASP A 39 -4.515 6.684 -6.081 1.00 0.00 C ATOM 580 O ASP A 39 -5.327 5.759 -6.089 1.00 0.00 O ATOM 581 CB ASP A 39 -3.233 7.839 -7.893 1.00 0.00 C ATOM 582 CG ASP A 39 -3.070 6.699 -8.879 1.00 0.00 C ATOM 583 OD1 ASP A 39 -3.731 5.655 -8.693 1.00 0.00 O ATOM 584 OD2 ASP A 39 -2.283 6.850 -9.835 1.00 0.00 O ATOM 0 HA ASP A 39 -5.360 7.538 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.162 8.788 -8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.414 7.814 -7.174 1.00 0.00 H new ATOM 589 N PHE A 40 -3.556 6.797 -5.169 1.00 0.00 N ATOM 590 CA PHE A 40 -3.398 5.817 -4.100 1.00 0.00 C ATOM 591 C PHE A 40 -4.745 5.483 -3.465 1.00 0.00 C ATOM 592 O PHE A 40 -5.083 4.314 -3.279 1.00 0.00 O ATOM 593 CB PHE A 40 -2.435 6.343 -3.034 1.00 0.00 C ATOM 594 CG PHE A 40 -0.997 6.010 -3.309 1.00 0.00 C ATOM 595 CD1 PHE A 40 -0.505 6.019 -4.604 1.00 0.00 C ATOM 596 CD2 PHE A 40 -0.136 5.687 -2.272 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.818 5.711 -4.859 1.00 0.00 C ATOM 598 CE2 PHE A 40 1.188 5.379 -2.521 1.00 0.00 C ATOM 599 CZ PHE A 40 1.666 5.393 -3.816 1.00 0.00 C ATOM 0 H PHE A 40 -2.876 7.557 -5.148 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.985 4.907 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.542 7.425 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.717 5.930 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.163 6.269 -5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.504 5.676 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.189 5.719 -5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.848 5.128 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.701 5.156 -4.013 1.00 0.00 H new ATOM 609 N SER A 41 -5.509 6.519 -3.134 1.00 0.00 N ATOM 610 CA SER A 41 -6.817 6.337 -2.516 1.00 0.00 C ATOM 611 C SER A 41 -7.514 5.099 -3.072 1.00 0.00 C ATOM 612 O SER A 41 -8.233 4.404 -2.355 1.00 0.00 O ATOM 613 CB SER A 41 -7.689 7.573 -2.745 1.00 0.00 C ATOM 614 OG SER A 41 -7.494 8.533 -1.721 1.00 0.00 O ATOM 0 H SER A 41 -5.245 7.493 -3.283 1.00 0.00 H new ATOM 0 HA SER A 41 -6.669 6.199 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.451 8.015 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.738 7.280 -2.778 1.00 0.00 H new ATOM 0 HG SER A 41 -7.322 9.410 -2.123 1.00 0.00 H new ATOM 620 N ASP A 42 -7.294 4.830 -4.354 1.00 0.00 N ATOM 621 CA ASP A 42 -7.899 3.676 -5.008 1.00 0.00 C ATOM 622 C ASP A 42 -7.752 2.425 -4.147 1.00 0.00 C ATOM 623 O ASP A 42 -8.731 1.738 -3.860 1.00 0.00 O ATOM 624 CB ASP A 42 -7.259 3.445 -6.378 1.00 0.00 C ATOM 625 CG ASP A 42 -7.750 2.172 -7.039 1.00 0.00 C ATOM 626 OD1 ASP A 42 -7.382 1.078 -6.564 1.00 0.00 O ATOM 627 OD2 ASP A 42 -8.501 2.270 -8.032 1.00 0.00 O ATOM 0 H ASP A 42 -6.701 5.396 -4.961 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.961 3.881 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.477 4.294 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.176 3.399 -6.267 1.00 0.00 H new ATOM 632 N GLY A 43 -6.520 2.135 -3.738 1.00 0.00 N ATOM 633 CA GLY A 43 -6.267 0.967 -2.916 1.00 0.00 C ATOM 634 C GLY A 43 -5.445 -0.083 -3.637 1.00 0.00 C ATOM 635 O GLY A 43 -4.460 -0.588 -3.098 1.00 0.00 O ATOM 0 H GLY A 43 -5.693 2.689 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.746 1.271 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.217 0.531 -2.607 1.00 0.00 H new ATOM 639 N VAL A 44 -5.851 -0.414 -4.858 1.00 0.00 N ATOM 640 CA VAL A 44 -5.146 -1.412 -5.654 1.00 0.00 C ATOM 641 C VAL A 44 -3.690 -1.013 -5.870 1.00 0.00 C ATOM 642 O VAL A 44 -2.797 -1.861 -5.875 1.00 0.00 O ATOM 643 CB VAL A 44 -5.819 -1.616 -7.024 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.116 -2.714 -7.807 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.296 -1.936 -6.849 1.00 0.00 C ATOM 0 H VAL A 44 -6.665 -0.006 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.185 -2.347 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.736 -0.689 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.606 -2.843 -8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.073 -2.439 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.164 -3.648 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.756 -2.077 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.404 -2.848 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.788 -1.112 -6.332 1.00 0.00 H new ATOM 655 N LEU A 45 -3.458 0.283 -6.048 1.00 0.00 N ATOM 656 CA LEU A 45 -2.109 0.795 -6.264 1.00 0.00 C ATOM 657 C LEU A 45 -1.269 0.669 -4.997 1.00 0.00 C ATOM 658 O LEU A 45 -0.097 0.296 -5.051 1.00 0.00 O ATOM 659 CB LEU A 45 -2.164 2.258 -6.710 1.00 0.00 C ATOM 660 CG LEU A 45 -0.821 2.984 -6.795 1.00 0.00 C ATOM 661 CD1 LEU A 45 0.194 2.144 -7.554 1.00 0.00 C ATOM 662 CD2 LEU A 45 -0.991 4.344 -7.456 1.00 0.00 C ATOM 0 H LEU A 45 -4.186 0.998 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.641 0.199 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.640 2.301 -7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.806 2.804 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.449 3.138 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.143 2.677 -7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.338 1.194 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.171 1.957 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.025 4.847 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.386 4.212 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.684 4.949 -6.871 1.00 0.00 H new ATOM 674 N VAL A 46 -1.877 0.981 -3.857 1.00 0.00 N ATOM 675 CA VAL A 46 -1.186 0.899 -2.575 1.00 0.00 C ATOM 676 C VAL A 46 -0.474 -0.440 -2.419 1.00 0.00 C ATOM 677 O VAL A 46 0.611 -0.514 -1.844 1.00 0.00 O ATOM 678 CB VAL A 46 -2.162 1.089 -1.399 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.428 0.970 -0.072 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.871 2.431 -1.507 1.00 0.00 C ATOM 0 H VAL A 46 -2.846 1.293 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.450 1.702 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.915 0.302 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.133 1.107 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.971 -0.017 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.653 1.734 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.557 2.549 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.134 3.234 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.430 2.473 -2.442 1.00 0.00 H new ATOM 690 N ALA A 47 -1.092 -1.496 -2.936 1.00 0.00 N ATOM 691 CA ALA A 47 -0.516 -2.833 -2.856 1.00 0.00 C ATOM 692 C ALA A 47 0.790 -2.916 -3.639 1.00 0.00 C ATOM 693 O ALA A 47 1.796 -3.412 -3.133 1.00 0.00 O ATOM 694 CB ALA A 47 -1.508 -3.866 -3.371 1.00 0.00 C ATOM 0 H ALA A 47 -1.992 -1.452 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.296 -3.045 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.065 -4.860 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.415 -3.832 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.755 -3.647 -4.410 1.00 0.00 H new ATOM 700 N GLU A 48 0.766 -2.427 -4.875 1.00 0.00 N ATOM 701 CA GLU A 48 1.949 -2.447 -5.727 1.00 0.00 C ATOM 702 C GLU A 48 3.181 -1.979 -4.958 1.00 0.00 C ATOM 703 O GLU A 48 4.215 -2.647 -4.952 1.00 0.00 O ATOM 704 CB GLU A 48 1.735 -1.563 -6.957 1.00 0.00 C ATOM 705 CG GLU A 48 0.640 -2.063 -7.883 1.00 0.00 C ATOM 706 CD GLU A 48 1.023 -3.343 -8.602 1.00 0.00 C ATOM 707 OE1 GLU A 48 2.206 -3.482 -8.976 1.00 0.00 O ATOM 708 OE2 GLU A 48 0.139 -4.205 -8.789 1.00 0.00 O ATOM 0 H GLU A 48 -0.059 -2.012 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 48 2.114 -3.474 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.489 -0.553 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.669 -1.499 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.269 -2.233 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.411 -1.292 -8.619 1.00 0.00 H new ATOM 715 N VAL A 49 3.064 -0.824 -4.310 1.00 0.00 N ATOM 716 CA VAL A 49 4.167 -0.265 -3.538 1.00 0.00 C ATOM 717 C VAL A 49 4.768 -1.309 -2.604 1.00 0.00 C ATOM 718 O VAL A 49 5.988 -1.406 -2.468 1.00 0.00 O ATOM 719 CB VAL A 49 3.711 0.949 -2.707 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.839 1.436 -1.809 1.00 0.00 C ATOM 721 CG2 VAL A 49 3.224 2.066 -3.618 1.00 0.00 C ATOM 0 H VAL A 49 2.216 -0.257 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 49 4.924 0.057 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 49 2.880 0.641 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.498 2.294 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.136 0.636 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.692 1.728 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.906 2.916 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.033 2.374 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.384 1.709 -4.214 1.00 0.00 H new ATOM 731 N ILE A 50 3.904 -2.089 -1.963 1.00 0.00 N ATOM 732 CA ILE A 50 4.351 -3.128 -1.043 1.00 0.00 C ATOM 733 C ILE A 50 5.092 -4.236 -1.783 1.00 0.00 C ATOM 734 O ILE A 50 6.048 -4.813 -1.264 1.00 0.00 O ATOM 735 CB ILE A 50 3.168 -3.743 -0.272 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.307 -2.641 0.348 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.674 -4.695 0.802 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.970 -3.133 0.857 1.00 0.00 C ATOM 0 H ILE A 50 2.891 -2.021 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 50 5.029 -2.652 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 50 2.552 -4.309 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.855 -2.184 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.139 -1.861 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.827 -5.122 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.249 -5.495 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.309 -4.151 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.413 -2.298 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.403 -3.564 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.129 -3.892 1.623 1.00 0.00 H new ATOM 750 N LYS A 51 4.646 -4.528 -3.000 1.00 0.00 N ATOM 751 CA LYS A 51 5.268 -5.565 -3.815 1.00 0.00 C ATOM 752 C LYS A 51 6.789 -5.447 -3.778 1.00 0.00 C ATOM 753 O LYS A 51 7.490 -6.420 -3.498 1.00 0.00 O ATOM 754 CB LYS A 51 4.774 -5.472 -5.260 1.00 0.00 C ATOM 755 CG LYS A 51 4.916 -6.770 -6.036 1.00 0.00 C ATOM 756 CD LYS A 51 3.717 -7.679 -5.827 1.00 0.00 C ATOM 757 CE LYS A 51 3.826 -8.946 -6.663 1.00 0.00 C ATOM 758 NZ LYS A 51 2.731 -9.908 -6.357 1.00 0.00 N ATOM 0 H LYS A 51 3.855 -4.061 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 51 4.986 -6.534 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.726 -5.172 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.329 -4.688 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.026 -6.550 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.824 -7.285 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.639 -7.943 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.804 -7.145 -6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.796 -8.687 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.789 -9.421 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.840 -10.758 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.774 -10.175 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.812 -9.464 -6.557 1.00 0.00 H new ATOM 772 N PHE A 52 7.292 -4.250 -4.061 1.00 0.00 N ATOM 773 CA PHE A 52 8.729 -4.005 -4.060 1.00 0.00 C ATOM 774 C PHE A 52 9.392 -4.663 -2.853 1.00 0.00 C ATOM 775 O PHE A 52 10.376 -5.390 -2.991 1.00 0.00 O ATOM 776 CB PHE A 52 9.012 -2.502 -4.054 1.00 0.00 C ATOM 777 CG PHE A 52 10.468 -2.165 -4.206 1.00 0.00 C ATOM 778 CD1 PHE A 52 11.309 -2.158 -3.106 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.995 -1.856 -5.450 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.649 -1.847 -3.243 1.00 0.00 C ATOM 781 CE2 PHE A 52 12.334 -1.545 -5.593 1.00 0.00 C ATOM 782 CZ PHE A 52 13.162 -1.542 -4.488 1.00 0.00 C ATOM 0 H PHE A 52 6.725 -3.434 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 52 9.147 -4.443 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.452 -2.032 -4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.644 -2.075 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.914 -2.398 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.352 -1.858 -6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.294 -1.843 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.732 -1.305 -6.568 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.209 -1.301 -4.597 1.00 0.00 H new ATOM 792 N TYR A 53 8.846 -4.402 -1.670 1.00 0.00 N ATOM 793 CA TYR A 53 9.384 -4.966 -0.438 1.00 0.00 C ATOM 794 C TYR A 53 9.056 -6.452 -0.330 1.00 0.00 C ATOM 795 O TYR A 53 9.951 -7.290 -0.219 1.00 0.00 O ATOM 796 CB TYR A 53 8.828 -4.219 0.775 1.00 0.00 C ATOM 797 CG TYR A 53 9.350 -2.806 0.909 1.00 0.00 C ATOM 798 CD1 TYR A 53 10.652 -2.564 1.329 1.00 0.00 C ATOM 799 CD2 TYR A 53 8.542 -1.715 0.616 1.00 0.00 C ATOM 800 CE1 TYR A 53 11.134 -1.275 1.453 1.00 0.00 C ATOM 801 CE2 TYR A 53 9.016 -0.423 0.737 1.00 0.00 C ATOM 802 CZ TYR A 53 10.312 -0.208 1.156 1.00 0.00 C ATOM 803 OH TYR A 53 10.788 1.078 1.278 1.00 0.00 O ATOM 0 H TYR A 53 8.031 -3.803 -1.539 1.00 0.00 H new ATOM 0 HA TYR A 53 10.468 -4.853 -0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.741 -4.190 0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.076 -4.776 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.298 -3.397 1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.526 -1.879 0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 53 12.149 -1.104 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.375 0.414 0.505 1.00 0.00 H new ATOM 0 HH TYR A 53 11.453 1.114 1.997 1.00 0.00 H new ATOM 813 N PHE A 54 7.767 -6.770 -0.363 1.00 0.00 N ATOM 814 CA PHE A 54 7.318 -8.154 -0.268 1.00 0.00 C ATOM 815 C PHE A 54 6.280 -8.464 -1.343 1.00 0.00 C ATOM 816 O PHE A 54 5.220 -7.843 -1.415 1.00 0.00 O ATOM 817 CB PHE A 54 6.732 -8.429 1.118 1.00 0.00 C ATOM 818 CG PHE A 54 7.583 -7.912 2.242 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.785 -8.525 2.557 1.00 0.00 C ATOM 820 CD2 PHE A 54 7.181 -6.813 2.984 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.571 -8.052 3.591 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.964 -6.335 4.019 1.00 0.00 C ATOM 823 CZ PHE A 54 9.159 -6.956 4.323 1.00 0.00 C ATOM 0 H PHE A 54 7.014 -6.088 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 54 8.181 -8.801 -0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.744 -7.974 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.597 -9.504 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.112 -9.383 1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.246 -6.324 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.506 -8.539 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.641 -5.477 4.589 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.771 -6.585 5.132 1.00 0.00 H new ATOM 833 N PRO A 55 6.591 -9.449 -2.199 1.00 0.00 N ATOM 834 CA PRO A 55 5.699 -9.865 -3.285 1.00 0.00 C ATOM 835 C PRO A 55 4.450 -10.573 -2.771 1.00 0.00 C ATOM 836 O PRO A 55 3.338 -10.297 -3.219 1.00 0.00 O ATOM 837 CB PRO A 55 6.562 -10.829 -4.103 1.00 0.00 C ATOM 838 CG PRO A 55 7.565 -11.355 -3.135 1.00 0.00 C ATOM 839 CD PRO A 55 7.837 -10.233 -2.171 1.00 0.00 C ATOM 0 HA PRO A 55 5.328 -9.014 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.962 -11.634 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.046 -10.318 -4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.182 -12.233 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.478 -11.661 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.054 -10.607 -1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.694 -9.636 -2.481 1.00 0.00 H new ATOM 847 N LYS A 56 4.641 -11.488 -1.826 1.00 0.00 N ATOM 848 CA LYS A 56 3.531 -12.236 -1.249 1.00 0.00 C ATOM 849 C LYS A 56 2.526 -11.296 -0.591 1.00 0.00 C ATOM 850 O LYS A 56 1.330 -11.352 -0.877 1.00 0.00 O ATOM 851 CB LYS A 56 4.048 -13.246 -0.222 1.00 0.00 C ATOM 852 CG LYS A 56 4.935 -14.323 -0.822 1.00 0.00 C ATOM 853 CD LYS A 56 5.514 -15.230 0.251 1.00 0.00 C ATOM 854 CE LYS A 56 4.594 -16.404 0.545 1.00 0.00 C ATOM 855 NZ LYS A 56 5.315 -17.521 1.216 1.00 0.00 N ATOM 0 H LYS A 56 5.555 -11.729 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 56 3.029 -12.771 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.607 -12.715 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.198 -13.719 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.358 -14.918 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.746 -13.857 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.487 -15.601 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.677 -14.657 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.772 -16.071 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.155 -16.763 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.653 -18.302 1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.084 -17.857 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.713 -17.186 2.117 1.00 0.00 H new ATOM 869 N MET A 57 3.019 -10.432 0.290 1.00 0.00 N ATOM 870 CA MET A 57 2.163 -9.478 0.986 1.00 0.00 C ATOM 871 C MET A 57 1.085 -8.935 0.054 1.00 0.00 C ATOM 872 O MET A 57 -0.031 -8.642 0.484 1.00 0.00 O ATOM 873 CB MET A 57 2.999 -8.325 1.546 1.00 0.00 C ATOM 874 CG MET A 57 3.844 -8.714 2.748 1.00 0.00 C ATOM 875 SD MET A 57 2.896 -8.746 4.282 1.00 0.00 S ATOM 876 CE MET A 57 2.658 -6.995 4.569 1.00 0.00 C ATOM 0 H MET A 57 4.006 -10.373 0.539 1.00 0.00 H new ATOM 0 HA MET A 57 1.676 -9.998 1.811 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.653 -7.946 0.760 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.334 -7.509 1.829 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.283 -9.697 2.576 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.670 -8.010 2.850 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.653 -6.823 4.954 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.390 -6.642 5.295 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.785 -6.452 3.632 1.00 0.00 H new ATOM 886 N VAL A 58 1.425 -8.802 -1.224 1.00 0.00 N ATOM 887 CA VAL A 58 0.486 -8.294 -2.217 1.00 0.00 C ATOM 888 C VAL A 58 -0.366 -9.420 -2.793 1.00 0.00 C ATOM 889 O VAL A 58 0.155 -10.450 -3.217 1.00 0.00 O ATOM 890 CB VAL A 58 1.218 -7.578 -3.367 1.00 0.00 C ATOM 891 CG1 VAL A 58 0.247 -7.240 -4.489 1.00 0.00 C ATOM 892 CG2 VAL A 58 1.913 -6.325 -2.857 1.00 0.00 C ATOM 0 H VAL A 58 2.345 -9.039 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.159 -7.579 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 58 1.978 -8.250 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.782 -6.734 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.201 -8.157 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.537 -6.586 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.425 -5.831 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.174 -5.647 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.639 -6.598 -2.091 1.00 0.00 H new ATOM 902 N GLU A 59 -1.679 -9.214 -2.805 1.00 0.00 N ATOM 903 CA GLU A 59 -2.603 -10.212 -3.330 1.00 0.00 C ATOM 904 C GLU A 59 -3.573 -9.585 -4.327 1.00 0.00 C ATOM 905 O GLU A 59 -4.758 -9.423 -4.038 1.00 0.00 O ATOM 906 CB GLU A 59 -3.383 -10.868 -2.188 1.00 0.00 C ATOM 907 CG GLU A 59 -2.495 -11.533 -1.149 1.00 0.00 C ATOM 908 CD GLU A 59 -3.254 -12.514 -0.276 1.00 0.00 C ATOM 909 OE1 GLU A 59 -3.665 -13.574 -0.792 1.00 0.00 O ATOM 910 OE2 GLU A 59 -3.436 -12.220 0.925 1.00 0.00 O ATOM 0 H GLU A 59 -2.126 -8.366 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.019 -10.973 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.998 -10.113 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.062 -11.612 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.681 -12.055 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.042 -10.767 -0.520 1.00 0.00 H new ATOM 917 N MET A 60 -3.060 -9.235 -5.502 1.00 0.00 N ATOM 918 CA MET A 60 -3.880 -8.626 -6.543 1.00 0.00 C ATOM 919 C MET A 60 -4.929 -9.609 -7.053 1.00 0.00 C ATOM 920 O MET A 60 -6.072 -9.232 -7.314 1.00 0.00 O ATOM 921 CB MET A 60 -3.002 -8.153 -7.703 1.00 0.00 C ATOM 922 CG MET A 60 -2.230 -6.878 -7.399 1.00 0.00 C ATOM 923 SD MET A 60 -3.228 -5.393 -7.618 1.00 0.00 S ATOM 924 CE MET A 60 -3.546 -4.945 -5.914 1.00 0.00 C ATOM 0 H MET A 60 -2.081 -9.363 -5.757 1.00 0.00 H new ATOM 0 HA MET A 60 -4.392 -7.766 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.296 -8.943 -7.960 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.629 -7.988 -8.579 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.863 -6.916 -6.373 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.357 -6.823 -8.049 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.462 -3.864 -5.800 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.551 -5.262 -5.636 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.819 -5.435 -5.267 1.00 0.00 H new ATOM 934 N HIS A 61 -4.533 -10.870 -7.192 1.00 0.00 N ATOM 935 CA HIS A 61 -5.440 -11.908 -7.671 1.00 0.00 C ATOM 936 C HIS A 61 -6.841 -11.711 -7.099 1.00 0.00 C ATOM 937 O HIS A 61 -7.838 -11.981 -7.767 1.00 0.00 O ATOM 938 CB HIS A 61 -4.912 -13.291 -7.292 1.00 0.00 C ATOM 939 CG HIS A 61 -5.661 -14.416 -7.938 1.00 0.00 C ATOM 940 ND1 HIS A 61 -6.363 -15.362 -7.222 1.00 0.00 N ATOM 941 CD2 HIS A 61 -5.816 -14.742 -9.243 1.00 0.00 C ATOM 942 CE1 HIS A 61 -6.916 -16.223 -8.058 1.00 0.00 C ATOM 943 NE2 HIS A 61 -6.600 -15.868 -9.290 1.00 0.00 N ATOM 0 H HIS A 61 -3.591 -11.198 -6.980 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.496 -11.834 -8.757 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.860 -13.358 -7.571 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.963 -13.406 -6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.400 -14.215 -10.089 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.523 -17.072 -7.781 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.891 -16.352 -10.139 1.00 0.00 H new ATOM 952 N ASN A 62 -6.907 -11.239 -5.858 1.00 0.00 N ATOM 953 CA ASN A 62 -8.186 -11.007 -5.196 1.00 0.00 C ATOM 954 C ASN A 62 -8.679 -9.586 -5.447 1.00 0.00 C ATOM 955 O ASN A 62 -9.810 -9.379 -5.889 1.00 0.00 O ATOM 956 CB ASN A 62 -8.057 -11.256 -3.692 1.00 0.00 C ATOM 957 CG ASN A 62 -7.891 -12.727 -3.361 1.00 0.00 C ATOM 958 OD1 ASN A 62 -8.794 -13.532 -3.591 1.00 0.00 O ATOM 959 ND2 ASN A 62 -6.733 -13.084 -2.818 1.00 0.00 N ATOM 0 H ASN A 62 -6.091 -11.010 -5.291 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.914 -11.703 -5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.202 -10.701 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.942 -10.870 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.564 -14.060 -2.574 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.013 -12.383 -2.645 1.00 0.00 H new ATOM 966 N TYR A 63 -7.823 -8.610 -5.164 1.00 0.00 N ATOM 967 CA TYR A 63 -8.172 -7.207 -5.358 1.00 0.00 C ATOM 968 C TYR A 63 -8.400 -6.902 -6.835 1.00 0.00 C ATOM 969 O TYR A 63 -7.572 -7.229 -7.684 1.00 0.00 O ATOM 970 CB TYR A 63 -7.069 -6.305 -4.803 1.00 0.00 C ATOM 971 CG TYR A 63 -6.682 -6.627 -3.378 1.00 0.00 C ATOM 972 CD1 TYR A 63 -7.598 -6.491 -2.341 1.00 0.00 C ATOM 973 CD2 TYR A 63 -5.402 -7.068 -3.067 1.00 0.00 C ATOM 974 CE1 TYR A 63 -7.248 -6.784 -1.037 1.00 0.00 C ATOM 975 CE2 TYR A 63 -5.044 -7.365 -1.766 1.00 0.00 C ATOM 976 CZ TYR A 63 -5.971 -7.221 -0.755 1.00 0.00 C ATOM 977 OH TYR A 63 -5.619 -7.514 0.543 1.00 0.00 O ATOM 0 H TYR A 63 -6.883 -8.764 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.098 -7.011 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.187 -6.391 -5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.399 -5.268 -4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.600 -6.151 -2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.674 -7.181 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.971 -6.671 -0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.045 -7.708 -1.542 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.784 -8.027 0.548 1.00 0.00 H new ATOM 987 N VAL A 64 -9.531 -6.270 -7.134 1.00 0.00 N ATOM 988 CA VAL A 64 -9.870 -5.918 -8.508 1.00 0.00 C ATOM 989 C VAL A 64 -10.109 -4.419 -8.647 1.00 0.00 C ATOM 990 O VAL A 64 -10.832 -3.805 -7.862 1.00 0.00 O ATOM 991 CB VAL A 64 -11.123 -6.673 -8.989 1.00 0.00 C ATOM 992 CG1 VAL A 64 -11.513 -6.224 -10.388 1.00 0.00 C ATOM 993 CG2 VAL A 64 -10.887 -8.176 -8.949 1.00 0.00 C ATOM 0 H VAL A 64 -10.228 -5.991 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.021 -6.208 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.948 -6.439 -8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.400 -6.769 -10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.726 -5.155 -10.381 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.693 -6.426 -11.077 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.782 -8.694 -9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.049 -8.430 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.660 -8.482 -7.928 1.00 0.00 H new ATOM 1003 N PRO A 65 -9.488 -3.813 -9.670 1.00 0.00 N ATOM 1004 CA PRO A 65 -9.620 -2.377 -9.938 1.00 0.00 C ATOM 1005 C PRO A 65 -11.012 -2.005 -10.434 1.00 0.00 C ATOM 1006 O PRO A 65 -11.437 -2.441 -11.504 1.00 0.00 O ATOM 1007 CB PRO A 65 -8.577 -2.124 -11.029 1.00 0.00 C ATOM 1008 CG PRO A 65 -8.412 -3.439 -11.709 1.00 0.00 C ATOM 1009 CD PRO A 65 -8.611 -4.483 -10.645 1.00 0.00 C ATOM 0 HA PRO A 65 -9.471 -1.779 -9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.913 -1.357 -11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.635 -1.778 -10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.139 -3.557 -12.512 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.423 -3.524 -12.159 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.073 -5.384 -11.048 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.665 -4.783 -10.195 1.00 0.00 H new ATOM 1017 N ALA A 66 -11.718 -1.196 -9.651 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.062 -0.763 -10.013 1.00 0.00 C ATOM 1019 C ALA A 66 -13.104 0.739 -10.270 1.00 0.00 C ATOM 1020 O ALA A 66 -12.154 1.457 -9.965 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.051 -1.142 -8.920 1.00 0.00 C ATOM 0 H ALA A 66 -11.381 -0.827 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.345 -1.271 -10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.051 -0.813 -9.204 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.050 -2.224 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.762 -0.661 -7.985 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.213 1.207 -10.834 1.00 0.00 N ATOM 1028 CA ASN A 67 -14.379 2.625 -11.133 1.00 0.00 C ATOM 1029 C ASN A 67 -15.112 3.338 -10.001 1.00 0.00 C ATOM 1030 O ASN A 67 -14.536 4.170 -9.301 1.00 0.00 O ATOM 1031 CB ASN A 67 -15.144 2.805 -12.445 1.00 0.00 C ATOM 1032 CG ASN A 67 -14.298 2.472 -13.659 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -13.878 3.361 -14.399 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -14.045 1.185 -13.868 1.00 0.00 N ATOM 0 H ASN A 67 -15.010 0.625 -11.093 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.388 3.067 -11.235 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.029 2.168 -12.437 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.493 3.835 -12.520 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.481 0.900 -14.669 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.414 0.482 -13.228 1.00 0.00 H new ATOM 1041 N SER A 68 -16.387 3.005 -9.828 1.00 0.00 N ATOM 1042 CA SER A 68 -17.202 3.615 -8.783 1.00 0.00 C ATOM 1043 C SER A 68 -16.491 3.554 -7.435 1.00 0.00 C ATOM 1044 O SER A 68 -15.468 2.882 -7.288 1.00 0.00 O ATOM 1045 CB SER A 68 -18.558 2.914 -8.690 1.00 0.00 C ATOM 1046 OG SER A 68 -19.431 3.607 -7.814 1.00 0.00 O ATOM 0 H SER A 68 -16.878 2.316 -10.398 1.00 0.00 H new ATOM 0 HA SER A 68 -17.360 4.662 -9.044 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.007 2.851 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.419 1.892 -8.337 1.00 0.00 H new ATOM 0 HG SER A 68 -20.292 3.140 -7.773 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.039 4.259 -6.451 1.00 0.00 N ATOM 1053 CA LEU A 69 -16.458 4.286 -5.113 1.00 0.00 C ATOM 1054 C LEU A 69 -17.017 3.156 -4.255 1.00 0.00 C ATOM 1055 O LEU A 69 -16.297 2.555 -3.459 1.00 0.00 O ATOM 1056 CB LEU A 69 -16.732 5.634 -4.444 1.00 0.00 C ATOM 1057 CG LEU A 69 -18.042 5.742 -3.664 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -17.848 5.282 -2.227 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -18.570 7.169 -3.702 1.00 0.00 C ATOM 0 H LEU A 69 -17.885 4.820 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.381 4.147 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.909 5.854 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.725 6.407 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.778 5.091 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.791 5.366 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.517 4.244 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.097 5.906 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -19.503 7.227 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -17.836 7.840 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -18.749 7.463 -4.736 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.305 2.873 -4.424 1.00 0.00 N ATOM 1072 CA GLN A 70 -18.960 1.814 -3.665 1.00 0.00 C ATOM 1073 C GLN A 70 -18.072 0.576 -3.580 1.00 0.00 C ATOM 1074 O GLN A 70 -17.965 -0.050 -2.526 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.300 1.451 -4.306 1.00 0.00 C ATOM 1076 CG GLN A 70 -20.162 0.690 -5.615 1.00 0.00 C ATOM 1077 CD GLN A 70 -19.914 -0.790 -5.406 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -19.838 -1.265 -4.272 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -19.785 -1.530 -6.501 1.00 0.00 N ATOM 0 H GLN A 70 -18.915 3.362 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.137 2.183 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.878 0.849 -3.605 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.867 2.364 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.069 0.823 -6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.341 1.114 -6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.855 -1.096 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.616 -2.533 -6.422 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.438 0.231 -4.696 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.561 -0.933 -4.747 1.00 0.00 C ATOM 1090 C GLN A 71 -15.276 -0.680 -3.965 1.00 0.00 C ATOM 1091 O GLN A 71 -14.790 -1.555 -3.248 1.00 0.00 O ATOM 1092 CB GLN A 71 -16.229 -1.284 -6.198 1.00 0.00 C ATOM 1093 CG GLN A 71 -15.500 -2.609 -6.351 1.00 0.00 C ATOM 1094 CD GLN A 71 -16.181 -3.740 -5.606 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -17.405 -3.764 -5.475 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -15.390 -4.685 -5.113 1.00 0.00 N ATOM 0 H GLN A 71 -17.515 0.740 -5.576 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.084 -1.772 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.153 -1.318 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.616 -0.490 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.435 -2.863 -7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.479 -2.502 -5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.380 -4.625 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.792 -5.471 -4.602 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.729 0.522 -4.109 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.500 0.892 -3.417 1.00 0.00 C ATOM 1107 C LYS A 72 -13.487 0.334 -1.997 1.00 0.00 C ATOM 1108 O LYS A 72 -12.680 -0.537 -1.669 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.350 2.414 -3.379 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.283 3.053 -4.756 1.00 0.00 C ATOM 1111 CD LYS A 72 -11.952 2.777 -5.434 1.00 0.00 C ATOM 1112 CE LYS A 72 -11.912 3.356 -6.840 1.00 0.00 C ATOM 1113 NZ LYS A 72 -10.523 3.680 -7.268 1.00 0.00 N ATOM 0 H LYS A 72 -15.118 1.257 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.661 0.464 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.190 2.840 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.446 2.668 -2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.094 2.671 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.431 4.129 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.144 3.205 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.781 1.701 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.350 2.643 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.523 4.258 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.552 4.253 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.044 4.215 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.002 2.799 -7.452 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.385 0.840 -1.159 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.478 0.391 0.226 1.00 0.00 C ATOM 1129 C LEU A 73 -14.363 -1.128 0.315 1.00 0.00 C ATOM 1130 O LEU A 73 -13.644 -1.657 1.162 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.799 0.851 0.845 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.815 2.270 1.414 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -17.237 2.697 1.744 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.930 2.359 2.649 1.00 0.00 C ATOM 0 H LEU A 73 -15.059 1.562 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.651 0.833 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.578 0.776 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.064 0.158 1.643 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.420 2.948 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.228 3.709 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.844 2.672 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.659 2.016 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.953 3.376 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.296 1.669 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.906 2.096 2.383 1.00 0.00 H new ATOM 1146 N SER A 74 -15.075 -1.822 -0.567 1.00 0.00 N ATOM 1147 CA SER A 74 -15.054 -3.280 -0.587 1.00 0.00 C ATOM 1148 C SER A 74 -13.621 -3.804 -0.569 1.00 0.00 C ATOM 1149 O SER A 74 -13.259 -4.622 0.275 1.00 0.00 O ATOM 1150 CB SER A 74 -15.785 -3.805 -1.825 1.00 0.00 C ATOM 1151 OG SER A 74 -16.317 -5.098 -1.593 1.00 0.00 O ATOM 0 H SER A 74 -15.673 -1.399 -1.277 1.00 0.00 H new ATOM 0 HA SER A 74 -15.564 -3.638 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.589 -3.120 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.098 -3.837 -2.671 1.00 0.00 H new ATOM 0 HG SER A 74 -16.780 -5.410 -2.398 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.811 -3.324 -1.507 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.417 -3.744 -1.600 1.00 0.00 C ATOM 1159 C ASN A 75 -10.662 -3.412 -0.316 1.00 0.00 C ATOM 1160 O ASN A 75 -10.136 -4.300 0.353 1.00 0.00 O ATOM 1161 CB ASN A 75 -10.738 -3.068 -2.793 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.158 -3.676 -4.117 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.034 -4.540 -4.167 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -10.532 -3.227 -5.199 1.00 0.00 N ATOM 0 H ASN A 75 -13.095 -2.645 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.398 -4.824 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.980 -2.005 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.656 -3.149 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.771 -3.599 -6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.812 -2.510 -5.111 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.615 -2.128 0.020 1.00 0.00 N ATOM 1172 CA TRP A 76 -9.925 -1.678 1.224 1.00 0.00 C ATOM 1173 C TRP A 76 -10.215 -2.608 2.397 1.00 0.00 C ATOM 1174 O TRP A 76 -9.299 -3.069 3.077 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.346 -0.250 1.574 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.493 0.797 0.924 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.730 1.424 -0.266 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.265 1.336 1.427 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.723 2.321 -0.533 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.814 2.287 0.490 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.506 1.111 2.577 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.636 3.008 0.671 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -6.337 1.827 2.755 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.912 2.767 1.807 1.00 0.00 C ATOM 0 H TRP A 76 -11.046 -1.380 -0.524 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.853 -1.696 1.027 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.383 -0.101 1.274 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.305 -0.122 2.656 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.583 1.242 -0.903 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.663 2.916 -1.360 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.827 0.390 3.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.306 3.732 -0.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.741 1.659 3.640 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.995 3.312 1.976 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.495 -2.882 2.628 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.882 -3.756 3.720 1.00 0.00 C ATOM 1197 C GLY A 77 -11.017 -4.999 3.801 1.00 0.00 C ATOM 1198 O GLY A 77 -10.574 -5.386 4.882 1.00 0.00 O ATOM 0 H GLY A 77 -12.271 -2.514 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.816 -3.209 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.924 -4.050 3.595 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.779 -5.628 2.654 1.00 0.00 N ATOM 1203 CA HIS A 78 -9.963 -6.835 2.599 1.00 0.00 C ATOM 1204 C HIS A 78 -8.502 -6.518 2.905 1.00 0.00 C ATOM 1205 O HIS A 78 -7.865 -7.195 3.713 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.077 -7.492 1.223 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.423 -8.092 0.956 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -11.936 -8.254 -0.314 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.362 -8.573 1.804 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -13.133 -8.806 -0.235 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -13.415 -9.011 1.039 1.00 0.00 N ATOM 0 H HIS A 78 -11.140 -5.321 1.751 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.332 -7.528 3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -9.861 -6.749 0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.318 -8.270 1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.295 -8.606 2.881 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -13.773 -9.049 -1.070 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -14.275 -9.427 1.396 1.00 0.00 H new ATOM 1220 N LEU A 79 -7.977 -5.486 2.254 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.591 -5.079 2.456 1.00 0.00 C ATOM 1222 C LEU A 79 -6.330 -4.742 3.920 1.00 0.00 C ATOM 1223 O LEU A 79 -5.181 -4.619 4.344 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.260 -3.873 1.576 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.781 -3.673 1.239 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.417 -4.423 -0.032 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.462 -2.192 1.097 1.00 0.00 C ATOM 0 H LEU A 79 -8.490 -4.916 1.582 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.948 -5.913 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.815 -3.966 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.623 -2.974 2.074 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.184 -4.076 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.361 -4.269 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.607 -5.487 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.021 -4.051 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.406 -2.069 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.068 -1.764 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.684 -1.681 2.034 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.404 -4.595 4.689 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.291 -4.274 6.107 1.00 0.00 C ATOM 1241 C ASN A 80 -7.120 -5.540 6.940 1.00 0.00 C ATOM 1242 O ASN A 80 -6.486 -5.521 7.995 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.527 -3.504 6.577 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.352 -2.922 7.966 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -8.756 -1.668 8.138 1.00 0.00 O flip ATOM 1246 ND2 ASN A 80 -7.860 -3.591 8.874 1.00 0.00 N flip ATOM 0 H ASN A 80 -8.362 -4.693 4.354 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.408 -3.649 6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.740 -2.699 5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.390 -4.169 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.563 -4.551 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.749 -3.186 9.803 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.689 -6.640 6.458 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.600 -7.916 7.158 1.00 0.00 C ATOM 1255 C ARG A 81 -6.696 -8.888 6.405 1.00 0.00 C ATOM 1256 O ARG A 81 -6.500 -10.027 6.829 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.992 -8.527 7.328 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.819 -7.863 8.417 1.00 0.00 C ATOM 1259 CD ARG A 81 -11.084 -8.652 8.715 1.00 0.00 C ATOM 1260 NE ARG A 81 -10.797 -9.910 9.398 1.00 0.00 N ATOM 1261 CZ ARG A 81 -11.736 -10.747 9.825 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -13.017 -10.460 9.638 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -11.395 -11.873 10.438 1.00 0.00 N ATOM 0 H ARG A 81 -8.217 -6.673 5.586 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.168 -7.732 8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.529 -8.456 6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.889 -9.588 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.222 -7.773 9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.084 -6.852 8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.750 -8.049 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.611 -8.858 7.783 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.821 -10.160 9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.282 -9.596 9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.737 -11.104 9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.410 -12.097 10.582 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.117 -12.514 10.765 1.00 0.00 H new ATOM 1277 N LYS A 82 -6.146 -8.429 5.285 1.00 0.00 N ATOM 1278 CA LYS A 82 -5.262 -9.256 4.472 1.00 0.00 C ATOM 1279 C LYS A 82 -3.841 -8.701 4.478 1.00 0.00 C ATOM 1280 O LYS A 82 -2.869 -9.457 4.488 1.00 0.00 O ATOM 1281 CB LYS A 82 -5.783 -9.337 3.036 1.00 0.00 C ATOM 1282 CG LYS A 82 -6.983 -10.254 2.875 1.00 0.00 C ATOM 1283 CD LYS A 82 -6.558 -11.685 2.591 1.00 0.00 C ATOM 1284 CE LYS A 82 -6.021 -12.365 3.841 1.00 0.00 C ATOM 1285 NZ LYS A 82 -6.213 -13.841 3.796 1.00 0.00 N ATOM 0 H LYS A 82 -6.297 -7.489 4.920 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.245 -10.257 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.053 -8.336 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.980 -9.686 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.587 -10.226 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.612 -9.892 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.408 -12.248 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.793 -11.691 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.960 -12.140 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.524 -11.960 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.834 -14.267 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.227 -14.057 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.712 -14.231 2.972 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.728 -7.377 4.474 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.425 -6.721 4.481 1.00 0.00 C ATOM 1301 C VAL A 83 -2.140 -6.082 5.835 1.00 0.00 C ATOM 1302 O VAL A 83 -1.279 -6.546 6.584 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.334 -5.642 3.387 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -1.005 -4.906 3.471 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.524 -6.261 2.010 1.00 0.00 C ATOM 0 H VAL A 83 -4.522 -6.737 4.466 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.681 -7.492 4.282 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.133 -4.919 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.959 -4.147 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.915 -4.428 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.188 -5.615 3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.457 -5.483 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.748 -7.007 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.503 -6.737 1.957 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.868 -5.015 6.145 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.694 -4.310 7.410 1.00 0.00 C ATOM 1317 C LEU A 84 -2.486 -5.295 8.557 1.00 0.00 C ATOM 1318 O LEU A 84 -1.442 -5.292 9.210 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.910 -3.427 7.696 1.00 0.00 C ATOM 1320 CG LEU A 84 -4.141 -2.269 6.724 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.340 -1.440 7.158 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.896 -1.400 6.624 1.00 0.00 C ATOM 0 H LEU A 84 -3.585 -4.619 5.537 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.807 -3.681 7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.799 -4.057 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.808 -3.017 8.701 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.350 -2.683 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.489 -0.621 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.230 -2.069 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.161 -1.035 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.079 -0.581 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.656 -0.994 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.060 -2.001 6.265 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.485 -6.137 8.796 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.412 -7.130 9.861 1.00 0.00 C ATOM 1336 C LYS A 85 -2.000 -7.694 9.982 1.00 0.00 C ATOM 1337 O LYS A 85 -1.421 -7.715 11.069 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.405 -8.264 9.598 1.00 0.00 C ATOM 1339 CG LYS A 85 -4.403 -9.336 10.674 1.00 0.00 C ATOM 1340 CD LYS A 85 -5.521 -10.342 10.461 1.00 0.00 C ATOM 1341 CE LYS A 85 -5.117 -11.424 9.471 1.00 0.00 C ATOM 1342 NZ LYS A 85 -4.256 -12.462 10.104 1.00 0.00 N ATOM 0 H LYS A 85 -4.356 -6.152 8.266 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.671 -6.640 10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.408 -7.845 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.172 -8.724 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.443 -9.852 10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.513 -8.870 11.653 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.786 -10.800 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.410 -9.828 10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.011 -11.894 9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.584 -10.971 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.002 -13.181 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.391 -12.018 10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.773 -12.913 10.886 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.450 -8.149 8.861 1.00 0.00 N ATOM 1357 CA ARG A 86 -0.106 -8.712 8.843 1.00 0.00 C ATOM 1358 C ARG A 86 0.898 -7.743 9.460 1.00 0.00 C ATOM 1359 O ARG A 86 1.749 -8.139 10.258 1.00 0.00 O ATOM 1360 CB ARG A 86 0.309 -9.049 7.409 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.515 -10.162 6.782 1.00 0.00 C ATOM 1362 CD ARG A 86 0.019 -11.534 7.163 1.00 0.00 C ATOM 1363 NE ARG A 86 -0.537 -12.006 8.428 1.00 0.00 N ATOM 1364 CZ ARG A 86 -0.280 -13.204 8.941 1.00 0.00 C ATOM 1365 NH1 ARG A 86 0.520 -14.046 8.302 1.00 0.00 N ATOM 1366 NH2 ARG A 86 -0.824 -13.562 10.098 1.00 0.00 N ATOM 0 H ARG A 86 -1.915 -8.139 7.953 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.114 -9.626 9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.221 -8.153 6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.360 -9.339 7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.553 -10.073 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.506 -10.056 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.219 -12.247 6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.106 -11.492 7.238 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.156 -11.382 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.941 -13.775 7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.715 -14.965 8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.440 -12.917 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.626 -14.482 10.491 1.00 0.00 H new ATOM 1380 N LEU A 87 0.794 -6.473 9.085 1.00 0.00 N ATOM 1381 CA LEU A 87 1.693 -5.447 9.601 1.00 0.00 C ATOM 1382 C LEU A 87 1.165 -4.868 10.909 1.00 0.00 C ATOM 1383 O LEU A 87 1.379 -3.695 11.211 1.00 0.00 O ATOM 1384 CB LEU A 87 1.870 -4.331 8.570 1.00 0.00 C ATOM 1385 CG LEU A 87 2.556 -4.727 7.262 1.00 0.00 C ATOM 1386 CD1 LEU A 87 2.057 -3.863 6.114 1.00 0.00 C ATOM 1387 CD2 LEU A 87 4.068 -4.615 7.398 1.00 0.00 C ATOM 0 H LEU A 87 0.096 -6.129 8.425 1.00 0.00 H new ATOM 0 HA LEU A 87 2.660 -5.910 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.887 -3.924 8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.445 -3.527 9.030 1.00 0.00 H new ATOM 0 HG LEU A 87 2.306 -5.765 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.556 -4.160 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.981 -3.993 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.276 -2.816 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.540 -4.901 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.336 -3.587 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.412 -5.277 8.193 1.00 0.00 H new ATOM 1399 N ASN A 88 0.475 -5.700 11.683 1.00 0.00 N ATOM 1400 CA ASN A 88 -0.083 -5.270 12.960 1.00 0.00 C ATOM 1401 C ASN A 88 -0.659 -3.861 12.856 1.00 0.00 C ATOM 1402 O ASN A 88 -0.559 -3.068 13.792 1.00 0.00 O ATOM 1403 CB ASN A 88 0.990 -5.316 14.050 1.00 0.00 C ATOM 1404 CG ASN A 88 0.403 -5.535 15.431 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.750 -5.189 15.689 1.00 0.00 O ATOM 1406 ND2 ASN A 88 1.196 -6.111 16.326 1.00 0.00 N ATOM 0 H ASN A 88 0.289 -6.675 11.448 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.890 -5.954 13.224 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.696 -6.116 13.827 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.553 -4.383 14.041 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.856 -6.283 17.272 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.145 -6.381 16.068 1.00 0.00 H new ATOM 1413 N PHE A 89 -1.263 -3.558 11.712 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.855 -2.245 11.485 1.00 0.00 C ATOM 1415 C PHE A 89 -3.378 -2.332 11.458 1.00 0.00 C ATOM 1416 O PHE A 89 -3.946 -3.304 10.961 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.344 -1.652 10.170 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.446 -0.155 10.108 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -0.401 0.643 10.546 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -2.587 0.455 9.612 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -0.492 2.021 10.490 1.00 0.00 C ATOM 1422 CE2 PHE A 89 -2.683 1.833 9.553 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.635 2.617 9.994 1.00 0.00 C ATOM 0 H PHE A 89 -1.355 -4.204 10.928 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.560 -1.594 12.308 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.303 -1.943 10.030 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.910 -2.081 9.343 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.495 0.183 10.936 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.411 -0.153 9.268 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.330 2.631 10.834 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.577 2.296 9.162 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.709 3.694 9.951 1.00 0.00 H new ATOM 1433 N SER A 90 -4.033 -1.309 11.998 1.00 0.00 N ATOM 1434 CA SER A 90 -5.490 -1.271 12.041 1.00 0.00 C ATOM 1435 C SER A 90 -6.012 0.088 11.585 1.00 0.00 C ATOM 1436 O SER A 90 -5.265 1.065 11.527 1.00 0.00 O ATOM 1437 CB SER A 90 -5.988 -1.573 13.456 1.00 0.00 C ATOM 1438 OG SER A 90 -5.736 -2.922 13.808 1.00 0.00 O ATOM 0 H SER A 90 -3.578 -0.495 12.412 1.00 0.00 H new ATOM 0 HA SER A 90 -5.869 -2.033 11.360 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.496 -0.910 14.167 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.057 -1.371 13.520 1.00 0.00 H new ATOM 0 HG SER A 90 -6.062 -3.089 14.717 1.00 0.00 H new ATOM 1444 N VAL A 91 -7.300 0.143 11.262 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.924 1.381 10.813 1.00 0.00 C ATOM 1446 C VAL A 91 -9.438 1.329 10.987 1.00 0.00 C ATOM 1447 O VAL A 91 -10.103 0.381 10.569 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.598 1.670 9.335 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -8.600 2.653 8.749 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -6.178 2.197 9.197 1.00 0.00 C ATOM 0 H VAL A 91 -7.932 -0.657 11.303 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.518 2.182 11.431 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.671 0.737 8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.353 2.845 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.603 2.232 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.562 3.588 9.308 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.964 2.396 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.075 3.119 9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.476 1.454 9.576 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.997 2.372 11.618 1.00 0.00 N ATOM 1461 CA PRO A 92 -11.439 2.469 11.861 1.00 0.00 C ATOM 1462 C PRO A 92 -12.230 2.697 10.577 1.00 0.00 C ATOM 1463 O PRO A 92 -11.700 3.220 9.596 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.562 3.682 12.787 1.00 0.00 C ATOM 1465 CG PRO A 92 -10.358 4.508 12.490 1.00 0.00 C ATOM 1466 CD PRO A 92 -9.264 3.537 12.142 1.00 0.00 C ATOM 0 HA PRO A 92 -11.843 1.549 12.284 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.480 4.236 12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.587 3.380 13.834 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.549 5.193 11.664 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.080 5.116 13.351 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.581 3.950 11.399 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.665 3.276 13.015 1.00 0.00 H new ATOM 1474 N ASP A 93 -13.498 2.303 10.591 1.00 0.00 N ATOM 1475 CA ASP A 93 -14.362 2.466 9.427 1.00 0.00 C ATOM 1476 C ASP A 93 -14.516 3.940 9.067 1.00 0.00 C ATOM 1477 O ASP A 93 -14.613 4.296 7.892 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.735 1.848 9.694 1.00 0.00 C ATOM 1479 CG ASP A 93 -16.592 2.710 10.599 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -17.186 3.688 10.099 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -16.669 2.408 11.809 1.00 0.00 O ATOM 0 H ASP A 93 -13.951 1.868 11.395 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.898 1.951 8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.252 1.695 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.606 0.866 10.148 1.00 0.00 H new ATOM 1486 N ASP A 94 -14.538 4.794 10.085 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.680 6.230 9.875 1.00 0.00 C ATOM 1488 C ASP A 94 -13.590 6.754 8.946 1.00 0.00 C ATOM 1489 O ASP A 94 -13.862 7.523 8.024 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.626 6.970 11.213 1.00 0.00 C ATOM 1491 CG ASP A 94 -14.413 8.461 11.042 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -13.248 8.879 10.877 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -15.412 9.210 11.072 1.00 0.00 O ATOM 0 H ASP A 94 -14.459 4.517 11.063 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.648 6.410 9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -15.555 6.799 11.757 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.820 6.558 11.820 1.00 0.00 H new ATOM 1498 N VAL A 95 -12.354 6.334 9.196 1.00 0.00 N ATOM 1499 CA VAL A 95 -11.222 6.761 8.382 1.00 0.00 C ATOM 1500 C VAL A 95 -11.269 6.123 6.998 1.00 0.00 C ATOM 1501 O VAL A 95 -10.914 6.752 6.001 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.882 6.406 9.053 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.716 6.809 8.164 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.778 7.072 10.418 1.00 0.00 C ATOM 0 H VAL A 95 -12.111 5.698 9.956 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.294 7.844 8.283 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.842 5.326 9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.778 6.550 8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.785 6.282 7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.748 7.884 7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.825 6.811 10.879 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.840 8.154 10.301 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -10.594 6.729 11.053 1.00 0.00 H new ATOM 1514 N MET A 96 -11.710 4.871 6.944 1.00 0.00 N ATOM 1515 CA MET A 96 -11.805 4.148 5.682 1.00 0.00 C ATOM 1516 C MET A 96 -12.712 4.884 4.701 1.00 0.00 C ATOM 1517 O MET A 96 -12.340 5.114 3.550 1.00 0.00 O ATOM 1518 CB MET A 96 -12.333 2.732 5.918 1.00 0.00 C ATOM 1519 CG MET A 96 -11.289 1.780 6.482 1.00 0.00 C ATOM 1520 SD MET A 96 -11.572 0.069 5.990 1.00 0.00 S ATOM 1521 CE MET A 96 -11.530 -0.753 7.581 1.00 0.00 C ATOM 0 H MET A 96 -12.007 4.336 7.760 1.00 0.00 H new ATOM 0 HA MET A 96 -10.806 4.088 5.251 1.00 0.00 H new ATOM 0 HB2 MET A 96 -13.179 2.778 6.604 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.708 2.331 4.976 1.00 0.00 H new ATOM 0 HG2 MET A 96 -10.300 2.092 6.147 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.292 1.846 7.570 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.212 -1.787 7.448 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.828 -0.239 8.238 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.524 -0.734 8.027 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.903 5.250 5.164 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.863 5.958 4.326 1.00 0.00 C ATOM 1533 C ARG A 97 -14.196 7.122 3.598 1.00 0.00 C ATOM 1534 O ARG A 97 -14.269 7.226 2.374 1.00 0.00 O ATOM 1535 CB ARG A 97 -16.028 6.473 5.173 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.946 5.373 5.680 1.00 0.00 C ATOM 1537 CD ARG A 97 -17.717 5.815 6.914 1.00 0.00 C ATOM 1538 NE ARG A 97 -18.987 6.446 6.569 1.00 0.00 N ATOM 1539 CZ ARG A 97 -20.045 5.776 6.126 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -19.984 4.460 5.975 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -21.166 6.421 5.832 1.00 0.00 N ATOM 0 H ARG A 97 -14.226 5.068 6.114 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.244 5.258 3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.631 7.024 6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.612 7.178 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.646 5.091 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.357 4.486 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.903 4.952 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.110 6.514 7.490 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.067 7.457 6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -19.124 3.960 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -20.798 3.947 5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -21.217 7.433 5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.977 5.905 5.492 1.00 0.00 H new ATOM 1555 N LYS A 98 -13.546 7.994 4.361 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.864 9.150 3.790 1.00 0.00 C ATOM 1557 C LYS A 98 -11.886 8.722 2.701 1.00 0.00 C ATOM 1558 O LYS A 98 -12.011 9.132 1.546 1.00 0.00 O ATOM 1559 CB LYS A 98 -12.121 9.921 4.884 1.00 0.00 C ATOM 1560 CG LYS A 98 -13.042 10.625 5.865 1.00 0.00 C ATOM 1561 CD LYS A 98 -12.392 10.776 7.230 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.932 11.988 7.973 1.00 0.00 C ATOM 1563 NZ LYS A 98 -12.209 13.236 7.599 1.00 0.00 N ATOM 0 H LYS A 98 -13.477 7.922 5.376 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.616 9.800 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.480 9.230 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.469 10.659 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.306 11.608 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.970 10.061 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -12.570 9.877 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.313 10.871 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.994 12.104 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.843 11.825 9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.607 14.039 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.200 13.135 7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.315 13.406 6.578 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.915 7.896 3.075 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.918 7.411 2.129 1.00 0.00 C ATOM 1579 C ILE A 99 -10.570 6.963 0.825 1.00 0.00 C ATOM 1580 O ILE A 99 -10.144 7.356 -0.261 1.00 0.00 O ATOM 1581 CB ILE A 99 -9.109 6.239 2.715 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -8.386 6.677 3.990 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -8.114 5.717 1.688 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.869 5.522 4.819 1.00 0.00 C ATOM 0 H ILE A 99 -10.797 7.549 4.027 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.243 8.243 1.928 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.797 5.433 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.550 7.323 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.067 7.273 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.549 4.889 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.651 5.372 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.428 6.516 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.368 5.907 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.703 4.888 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.163 4.938 4.229 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.606 6.140 0.941 1.00 0.00 N ATOM 1597 CA ALA A 100 -12.320 5.641 -0.228 1.00 0.00 C ATOM 1598 C ALA A 100 -12.916 6.787 -1.038 1.00 0.00 C ATOM 1599 O ALA A 100 -13.112 6.669 -2.247 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.410 4.668 0.194 1.00 0.00 C ATOM 0 H ALA A 100 -11.970 5.804 1.833 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.605 5.116 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.935 4.304 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.962 3.827 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -14.116 5.175 0.852 1.00 0.00 H new ATOM 1606 N GLN A 101 -13.204 7.896 -0.363 1.00 0.00 N ATOM 1607 CA GLN A 101 -13.779 9.063 -1.021 1.00 0.00 C ATOM 1608 C GLN A 101 -12.690 9.928 -1.646 1.00 0.00 C ATOM 1609 O GLN A 101 -12.939 11.067 -2.041 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.592 9.888 -0.022 1.00 0.00 C ATOM 1611 CG GLN A 101 -16.048 9.463 0.076 1.00 0.00 C ATOM 1612 CD GLN A 101 -16.918 10.107 -0.986 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -17.735 9.300 -1.652 1.00 0.00 O flip ATOM 1614 NE2 GLN A 101 -16.855 11.317 -1.206 1.00 0.00 N flip ATOM 0 H GLN A 101 -13.048 8.010 0.639 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.439 8.713 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.132 9.807 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.547 10.938 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.113 8.379 -0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -16.433 9.723 1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -16.212 11.900 -0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -17.446 11.736 -1.924 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.483 9.380 -1.732 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.355 10.102 -2.308 1.00 0.00 C ATOM 1625 C CYS A 102 -10.128 11.424 -1.582 1.00 0.00 C ATOM 1626 O CYS A 102 -9.950 12.467 -2.212 1.00 0.00 O ATOM 1627 CB CYS A 102 -10.593 10.358 -3.797 1.00 0.00 C ATOM 1628 SG CYS A 102 -10.645 8.858 -4.805 1.00 0.00 S ATOM 0 H CYS A 102 -11.261 8.438 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.463 9.486 -2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.534 10.896 -3.916 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.804 11.009 -4.174 1.00 0.00 H new ATOM 0 HG CYS A 102 -10.853 9.177 -6.048 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.137 11.373 -0.254 1.00 0.00 N ATOM 1635 CA ALA A 103 -9.932 12.567 0.557 1.00 0.00 C ATOM 1636 C ALA A 103 -8.449 12.899 0.679 1.00 0.00 C ATOM 1637 O ALA A 103 -7.607 12.025 0.888 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.548 12.380 1.936 1.00 0.00 C ATOM 0 H ALA A 103 -10.284 10.518 0.283 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.425 13.403 0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.388 13.279 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.618 12.198 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.080 11.529 2.431 1.00 0.00 H new ATOM 1644 N PRO A 104 -8.118 14.192 0.545 1.00 0.00 N ATOM 1645 CA PRO A 104 -6.736 14.670 0.637 1.00 0.00 C ATOM 1646 C PRO A 104 -6.182 14.574 2.054 1.00 0.00 C ATOM 1647 O PRO A 104 -6.824 15.002 3.012 1.00 0.00 O ATOM 1648 CB PRO A 104 -6.836 16.134 0.200 1.00 0.00 C ATOM 1649 CG PRO A 104 -8.241 16.525 0.506 1.00 0.00 C ATOM 1650 CD PRO A 104 -9.070 15.288 0.295 1.00 0.00 C ATOM 0 HA PRO A 104 -6.058 14.074 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.125 16.758 0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.616 16.246 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.331 16.885 1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.572 17.333 -0.146 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.916 15.250 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.477 15.244 -0.715 1.00 0.00 H new ATOM 1658 N GLY A 105 -4.984 14.010 2.180 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.364 13.869 3.484 1.00 0.00 C ATOM 1660 C GLY A 105 -4.825 12.623 4.214 1.00 0.00 C ATOM 1661 O GLY A 105 -4.015 11.767 4.570 1.00 0.00 O ATOM 0 H GLY A 105 -4.432 13.648 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.281 13.837 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.593 14.746 4.089 1.00 0.00 H new ATOM 1665 N VAL A 106 -6.132 12.520 4.438 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.700 11.370 5.131 1.00 0.00 C ATOM 1667 C VAL A 106 -5.923 10.097 4.812 1.00 0.00 C ATOM 1668 O VAL A 106 -5.473 9.389 5.713 1.00 0.00 O ATOM 1669 CB VAL A 106 -8.179 11.163 4.755 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.788 10.040 5.581 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.961 12.455 4.938 1.00 0.00 C ATOM 0 H VAL A 106 -6.817 13.219 4.150 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.630 11.577 6.199 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.232 10.879 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.833 9.908 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.243 9.115 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.724 10.291 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.004 12.290 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.902 12.772 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.538 13.230 4.298 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.768 9.812 3.523 1.00 0.00 N ATOM 1682 CA VAL A 107 -5.044 8.626 3.084 1.00 0.00 C ATOM 1683 C VAL A 107 -3.559 8.736 3.412 1.00 0.00 C ATOM 1684 O VAL A 107 -2.958 7.798 3.935 1.00 0.00 O ATOM 1685 CB VAL A 107 -5.209 8.395 1.570 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.674 9.585 0.788 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.510 7.111 1.148 1.00 0.00 C ATOM 0 H VAL A 107 -6.135 10.387 2.764 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.470 7.779 3.621 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.271 8.293 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.799 9.405 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.223 10.483 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.616 9.721 1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.637 6.963 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.448 7.181 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.944 6.267 1.684 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.973 9.888 3.100 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.558 10.120 3.361 1.00 0.00 C ATOM 1699 C GLU A 108 -1.223 9.850 4.825 1.00 0.00 C ATOM 1700 O GLU A 108 -0.129 9.385 5.148 1.00 0.00 O ATOM 1701 CB GLU A 108 -1.178 11.557 2.996 1.00 0.00 C ATOM 1702 CG GLU A 108 -1.011 11.782 1.503 1.00 0.00 C ATOM 1703 CD GLU A 108 -2.320 12.108 0.812 1.00 0.00 C ATOM 1704 OE1 GLU A 108 -3.380 11.982 1.460 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -2.286 12.488 -0.377 1.00 0.00 O ATOM 0 H GLU A 108 -3.457 10.674 2.666 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.983 9.431 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.945 12.234 3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.247 11.817 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.305 12.596 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.578 10.889 1.051 1.00 0.00 H new ATOM 1712 N LEU A 109 -2.172 10.144 5.706 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.979 9.933 7.137 1.00 0.00 C ATOM 1714 C LEU A 109 -1.701 8.464 7.439 1.00 0.00 C ATOM 1715 O LEU A 109 -1.137 8.129 8.481 1.00 0.00 O ATOM 1716 CB LEU A 109 -3.212 10.401 7.912 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.386 11.914 8.048 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.818 12.255 8.429 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.412 12.472 9.076 1.00 0.00 C ATOM 0 H LEU A 109 -3.083 10.529 5.455 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.115 10.519 7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.098 9.996 7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.173 9.969 8.912 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.169 12.373 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.922 13.336 8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.496 11.889 7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.063 11.784 9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.550 13.550 9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.598 12.006 10.044 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.390 12.260 8.761 1.00 0.00 H new ATOM 1731 N VAL A 110 -2.099 7.591 6.519 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.890 6.158 6.684 1.00 0.00 C ATOM 1733 C VAL A 110 -0.712 5.674 5.847 1.00 0.00 C ATOM 1734 O VAL A 110 -0.184 4.583 6.069 1.00 0.00 O ATOM 1735 CB VAL A 110 -3.147 5.358 6.292 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -3.109 3.968 6.908 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.405 6.103 6.714 1.00 0.00 C ATOM 0 H VAL A 110 -2.568 7.852 5.652 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.676 5.990 7.739 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.163 5.248 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.005 3.418 6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.227 3.436 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.068 4.052 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.284 5.524 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.398 6.245 7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.435 7.074 6.221 1.00 0.00 H new ATOM 1747 N LEU A 111 -0.303 6.491 4.883 1.00 0.00 N ATOM 1748 CA LEU A 111 0.815 6.147 4.011 1.00 0.00 C ATOM 1749 C LEU A 111 2.143 6.288 4.747 1.00 0.00 C ATOM 1750 O LEU A 111 3.021 5.432 4.633 1.00 0.00 O ATOM 1751 CB LEU A 111 0.811 7.039 2.768 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.380 6.870 1.824 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.227 7.766 0.605 1.00 0.00 C ATOM 1754 CD2 LEU A 111 -0.524 5.414 1.403 1.00 0.00 C ATOM 0 H LEU A 111 -0.729 7.397 4.685 1.00 0.00 H new ATOM 0 HA LEU A 111 0.699 5.107 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.848 8.079 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.725 6.848 2.205 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.285 7.166 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.084 7.632 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.173 8.807 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.686 7.502 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.376 5.312 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.382 5.092 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.681 4.794 2.286 1.00 0.00 H new ATOM 1766 N ILE A 112 2.283 7.371 5.504 1.00 0.00 N ATOM 1767 CA ILE A 112 3.502 7.621 6.261 1.00 0.00 C ATOM 1768 C ILE A 112 3.873 6.416 7.120 1.00 0.00 C ATOM 1769 O ILE A 112 4.956 5.844 6.995 1.00 0.00 O ATOM 1770 CB ILE A 112 3.359 8.858 7.168 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.812 10.117 6.425 1.00 0.00 C ATOM 1772 CG2 ILE A 112 4.161 8.673 8.447 1.00 0.00 C ATOM 1773 CD1 ILE A 112 3.356 11.402 7.080 1.00 0.00 C ATOM 0 H ILE A 112 1.567 8.089 5.609 1.00 0.00 H new ATOM 0 HA ILE A 112 4.293 7.804 5.533 1.00 0.00 H new ATOM 0 HB ILE A 112 2.309 8.975 7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.900 10.118 6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.431 10.084 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 112 4.050 9.555 9.077 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.795 7.797 8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.213 8.534 8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.713 12.253 6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 112 2.267 11.423 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.759 11.458 8.091 1.00 0.00 H new ATOM 1785 N PRO A 113 2.953 6.020 8.012 1.00 0.00 N ATOM 1786 CA PRO A 113 3.160 4.877 8.907 1.00 0.00 C ATOM 1787 C PRO A 113 3.152 3.548 8.161 1.00 0.00 C ATOM 1788 O PRO A 113 3.630 2.534 8.673 1.00 0.00 O ATOM 1789 CB PRO A 113 1.970 4.959 9.866 1.00 0.00 C ATOM 1790 CG PRO A 113 0.915 5.682 9.101 1.00 0.00 C ATOM 1791 CD PRO A 113 1.641 6.656 8.214 1.00 0.00 C ATOM 0 HA PRO A 113 4.129 4.918 9.404 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.633 3.966 10.164 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.233 5.493 10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.316 4.988 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.232 6.201 9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.118 6.807 7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.737 7.634 8.685 1.00 0.00 H new ATOM 1799 N LEU A 114 2.609 3.558 6.949 1.00 0.00 N ATOM 1800 CA LEU A 114 2.540 2.351 6.131 1.00 0.00 C ATOM 1801 C LEU A 114 3.929 1.929 5.666 1.00 0.00 C ATOM 1802 O LEU A 114 4.288 0.753 5.737 1.00 0.00 O ATOM 1803 CB LEU A 114 1.633 2.583 4.921 1.00 0.00 C ATOM 1804 CG LEU A 114 1.657 1.495 3.847 1.00 0.00 C ATOM 1805 CD1 LEU A 114 0.812 0.305 4.273 1.00 0.00 C ATOM 1806 CD2 LEU A 114 1.168 2.049 2.516 1.00 0.00 C ATOM 0 H LEU A 114 2.210 4.388 6.510 1.00 0.00 H new ATOM 0 HA LEU A 114 2.123 1.550 6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.608 2.693 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.913 3.529 4.458 1.00 0.00 H new ATOM 0 HG LEU A 114 2.686 1.158 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.841 -0.459 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.206 -0.107 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.218 0.627 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.192 1.261 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.147 2.414 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.815 2.869 2.204 1.00 0.00 H new ATOM 1818 N ARG A 115 4.709 2.896 5.192 1.00 0.00 N ATOM 1819 CA ARG A 115 6.060 2.624 4.716 1.00 0.00 C ATOM 1820 C ARG A 115 7.035 2.508 5.884 1.00 0.00 C ATOM 1821 O ARG A 115 7.865 1.601 5.924 1.00 0.00 O ATOM 1822 CB ARG A 115 6.519 3.728 3.762 1.00 0.00 C ATOM 1823 CG ARG A 115 7.991 3.642 3.395 1.00 0.00 C ATOM 1824 CD ARG A 115 8.535 4.992 2.954 1.00 0.00 C ATOM 1825 NE ARG A 115 9.908 4.896 2.467 1.00 0.00 N ATOM 1826 CZ ARG A 115 10.971 4.865 3.264 1.00 0.00 C ATOM 1827 NH1 ARG A 115 10.818 4.920 4.580 1.00 0.00 N ATOM 1828 NH2 ARG A 115 12.189 4.777 2.745 1.00 0.00 N ATOM 0 H ARG A 115 4.428 3.874 5.128 1.00 0.00 H new ATOM 0 HA ARG A 115 6.046 1.674 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 115 5.923 3.680 2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.324 4.697 4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.560 3.281 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 115 8.126 2.915 2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 115 7.899 5.400 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 115 8.495 5.690 3.790 1.00 0.00 H new ATOM 0 HE ARG A 115 10.060 4.850 1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.883 4.986 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 115 11.635 4.896 5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 115 12.310 4.733 1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 115 13.004 4.753 3.358 1.00 0.00 H new ATOM 1842 N GLN A 116 6.927 3.434 6.832 1.00 0.00 N ATOM 1843 CA GLN A 116 7.800 3.436 8.000 1.00 0.00 C ATOM 1844 C GLN A 116 7.895 2.042 8.611 1.00 0.00 C ATOM 1845 O GLN A 116 8.976 1.595 8.996 1.00 0.00 O ATOM 1846 CB GLN A 116 7.287 4.430 9.044 1.00 0.00 C ATOM 1847 CG GLN A 116 6.312 3.819 10.038 1.00 0.00 C ATOM 1848 CD GLN A 116 5.883 4.799 11.112 1.00 0.00 C ATOM 1849 OE1 GLN A 116 6.066 6.009 10.974 1.00 0.00 O ATOM 1850 NE2 GLN A 116 5.309 4.280 12.191 1.00 0.00 N ATOM 0 H GLN A 116 6.244 4.192 6.814 1.00 0.00 H new ATOM 0 HA GLN A 116 8.796 3.740 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 116 8.136 4.844 9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.800 5.261 8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.431 3.462 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 116 6.774 2.951 10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 116 5.177 3.271 12.263 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.000 4.890 12.948 1.00 0.00 H new ATOM 1859 N ARG A 117 6.758 1.360 8.697 1.00 0.00 N ATOM 1860 CA ARG A 117 6.713 0.017 9.263 1.00 0.00 C ATOM 1861 C ARG A 117 7.417 -0.982 8.349 1.00 0.00 C ATOM 1862 O ARG A 117 8.326 -1.695 8.774 1.00 0.00 O ATOM 1863 CB ARG A 117 5.264 -0.416 9.489 1.00 0.00 C ATOM 1864 CG ARG A 117 4.669 0.102 10.789 1.00 0.00 C ATOM 1865 CD ARG A 117 5.230 -0.639 11.993 1.00 0.00 C ATOM 1866 NE ARG A 117 4.790 -2.030 12.033 1.00 0.00 N ATOM 1867 CZ ARG A 117 5.142 -2.885 12.987 1.00 0.00 C ATOM 1868 NH1 ARG A 117 5.935 -2.492 13.974 1.00 0.00 N ATOM 1869 NH2 ARG A 117 4.700 -4.136 12.955 1.00 0.00 N ATOM 0 H ARG A 117 5.855 1.715 8.382 1.00 0.00 H new ATOM 0 HA ARG A 117 7.233 0.036 10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.655 -0.066 8.656 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.214 -1.505 9.485 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.877 1.167 10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.585 -0.010 10.764 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.319 -0.604 11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.918 -0.134 12.907 1.00 0.00 H new ATOM 0 HE ARG A 117 4.179 -2.364 11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.276 -1.531 14.002 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.204 -3.150 14.705 1.00 0.00 H new ATOM 0 HH21 ARG A 117 4.089 -4.442 12.197 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.971 -4.792 13.688 1.00 0.00 H new ATOM 1883 N LEU A 118 6.990 -1.027 7.092 1.00 0.00 N ATOM 1884 CA LEU A 118 7.578 -1.939 6.116 1.00 0.00 C ATOM 1885 C LEU A 118 9.095 -1.992 6.267 1.00 0.00 C ATOM 1886 O LEU A 118 9.675 -3.066 6.428 1.00 0.00 O ATOM 1887 CB LEU A 118 7.210 -1.505 4.696 1.00 0.00 C ATOM 1888 CG LEU A 118 5.742 -1.670 4.304 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.457 -0.959 2.990 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.378 -3.144 4.204 1.00 0.00 C ATOM 0 H LEU A 118 6.239 -0.443 6.724 1.00 0.00 H new ATOM 0 HA LEU A 118 7.177 -2.936 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.482 -0.456 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.819 -2.074 3.994 1.00 0.00 H new ATOM 0 HG LEU A 118 5.126 -1.216 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.407 -1.088 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.677 0.103 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.082 -1.383 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.329 -3.242 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.001 -3.622 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.542 -3.626 5.168 1.00 0.00 H new ATOM 1902 N GLU A 119 9.731 -0.826 6.215 1.00 0.00 N ATOM 1903 CA GLU A 119 11.181 -0.741 6.347 1.00 0.00 C ATOM 1904 C GLU A 119 11.675 -1.614 7.497 1.00 0.00 C ATOM 1905 O GLU A 119 12.703 -2.280 7.386 1.00 0.00 O ATOM 1906 CB GLU A 119 11.610 0.710 6.573 1.00 0.00 C ATOM 1907 CG GLU A 119 11.450 1.591 5.345 1.00 0.00 C ATOM 1908 CD GLU A 119 12.631 1.494 4.399 1.00 0.00 C ATOM 1909 OE1 GLU A 119 12.676 0.533 3.602 1.00 0.00 O ATOM 1910 OE2 GLU A 119 13.509 2.380 4.455 1.00 0.00 O ATOM 0 H GLU A 119 9.266 0.072 6.083 1.00 0.00 H new ATOM 0 HA GLU A 119 11.627 -1.104 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.024 1.130 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.653 0.727 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.541 1.307 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.326 2.627 5.660 1.00 0.00 H new ATOM 1917 N GLU A 120 10.934 -1.603 8.601 1.00 0.00 N ATOM 1918 CA GLU A 120 11.297 -2.392 9.772 1.00 0.00 C ATOM 1919 C GLU A 120 11.507 -3.857 9.397 1.00 0.00 C ATOM 1920 O GLU A 120 12.471 -4.487 9.830 1.00 0.00 O ATOM 1921 CB GLU A 120 10.214 -2.279 10.847 1.00 0.00 C ATOM 1922 CG GLU A 120 10.588 -2.947 12.160 1.00 0.00 C ATOM 1923 CD GLU A 120 11.622 -2.159 12.941 1.00 0.00 C ATOM 1924 OE1 GLU A 120 12.826 -2.304 12.645 1.00 0.00 O ATOM 1925 OE2 GLU A 120 11.226 -1.398 13.849 1.00 0.00 O ATOM 0 H GLU A 120 10.079 -1.057 8.709 1.00 0.00 H new ATOM 0 HA GLU A 120 12.233 -1.998 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.006 -1.225 11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.293 -2.725 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.693 -3.069 12.770 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.974 -3.946 11.958 1.00 0.00 H new ATOM 1932 N ARG A 121 10.595 -4.391 8.590 1.00 0.00 N ATOM 1933 CA ARG A 121 10.678 -5.781 8.159 1.00 0.00 C ATOM 1934 C ARG A 121 11.746 -5.953 7.082 1.00 0.00 C ATOM 1935 O ARG A 121 12.632 -6.798 7.204 1.00 0.00 O ATOM 1936 CB ARG A 121 9.324 -6.254 7.629 1.00 0.00 C ATOM 1937 CG ARG A 121 8.320 -6.577 8.724 1.00 0.00 C ATOM 1938 CD ARG A 121 6.971 -6.972 8.145 1.00 0.00 C ATOM 1939 NE ARG A 121 6.924 -8.385 7.779 1.00 0.00 N ATOM 1940 CZ ARG A 121 6.778 -9.368 8.661 1.00 0.00 C ATOM 1941 NH1 ARG A 121 6.665 -9.092 9.952 1.00 0.00 N ATOM 1942 NH2 ARG A 121 6.745 -10.629 8.250 1.00 0.00 N ATOM 0 H ARG A 121 9.791 -3.882 8.222 1.00 0.00 H new ATOM 0 HA ARG A 121 10.955 -6.387 9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.907 -5.482 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 121 9.474 -7.140 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 121 8.703 -7.389 9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 121 8.198 -5.711 9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 121 6.188 -6.760 8.873 1.00 0.00 H new ATOM 0 HD3 ARG A 121 6.762 -6.363 7.266 1.00 0.00 H new ATOM 0 HE ARG A 121 7.008 -8.631 6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 121 6.690 -8.123 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.553 -9.848 10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 121 6.832 -10.844 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.633 -11.383 8.927 1.00 0.00 H new ATOM 1956 N GLN A 122 11.653 -5.146 6.030 1.00 0.00 N ATOM 1957 CA GLN A 122 12.611 -5.211 4.932 1.00 0.00 C ATOM 1958 C GLN A 122 14.041 -5.261 5.459 1.00 0.00 C ATOM 1959 O GLN A 122 14.800 -6.176 5.137 1.00 0.00 O ATOM 1960 CB GLN A 122 12.438 -4.006 4.005 1.00 0.00 C ATOM 1961 CG GLN A 122 13.464 -3.948 2.885 1.00 0.00 C ATOM 1962 CD GLN A 122 13.234 -5.009 1.827 1.00 0.00 C ATOM 1963 OE1 GLN A 122 12.946 -6.164 2.142 1.00 0.00 O ATOM 1964 NE2 GLN A 122 13.360 -4.622 0.563 1.00 0.00 N ATOM 0 H GLN A 122 10.925 -4.441 5.915 1.00 0.00 H new ATOM 0 HA GLN A 122 12.419 -6.124 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 122 11.439 -4.033 3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 122 12.504 -3.092 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 122 13.432 -2.963 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 122 14.462 -4.070 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 122 13.600 -3.654 0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 122 13.217 -5.292 -0.192 1.00 0.00 H new