USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 808 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: B 14 LYS NZ :NH3+ -175:sc= 1.92 (180deg=0.655) USER MOD Set 1.2: B 81 ASN : amide:sc= 2.35 K(o=5.5,f=-7.9) USER MOD Set 1.3: B 83 SER OG : rot 93:sc= 0.19 USER MOD Set 1.4: B 84 THR OG1 : rot 63:sc= 1.06 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-5.6!) USER MOD Set 2.2: B 75 THR OG1 : rot 170:sc= 0 USER MOD Set 3.1: B 56 SER OG : rot 38:sc= 0.446 USER MOD Set 3.2: B 64 GLN : amide:sc= -0.438 K(o=0.0077,f=-1.6!) USER MOD Set 4.1: B 13 LYS NZ :NH3+ -117:sc= -0.169 (180deg=-0.989) USER MOD Set 4.2: B 25 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: B 17 GLN :FLIP amide:sc= 0.217 F(o=-1.9!,f=0.71) USER MOD Set 5.2: B 20 GLN :FLIP amide:sc= 0.496 F(o=-1.9,f=0.71) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 163:sc= -0.167 (180deg=-0.569) USER MOD Single : B 27 MET CE :methyl -178:sc= -1.25 (180deg=-1.28) USER MOD Single : B 44 SER OG : rot 180:sc= -0.59 USER MOD Single : B 46 MET CE :methyl -135:sc= -0.182 (180deg=-1.75) USER MOD Single : B 47 TYR OH : rot 178:sc= 1.24 USER MOD Single : B 51 LYS NZ :NH3+ 175:sc= 1.71 (180deg=1.67) USER MOD Single : B 52 CYS SG : rot 150:sc= -3.69! USER MOD Single : B 53 GLN : amide:sc= -4.65! C(o=-4.7!,f=-8.5!) USER MOD Single : B 54 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.877) USER MOD Single : B 60 LYS NZ :NH3+ -114:sc= -1.49 (180deg=-3.15!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -4.77! C(o=-4.8!,f=-6.8!) USER MOD Single : B 70 HIS : no HE2:sc= -5.7! C(o=-5.7!,f=-8.8!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 ASN :FLIP amide:sc= -0.325 F(o=-1.3!,f=-0.33) USER MOD Single : B 78 HIS :FLIP no HD1:sc= -2.73 F(o=-3.6,f=-2.7) USER MOD Single : B 80 SER OG : rot 31:sc= 0.254 USER MOD Single : B 87 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.15) USER MOD Single : B 93 LYS NZ :NH3+ -168:sc= 0.727! (180deg=0.0667) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.86 F(o=-3.1!,f=-1.9) USER MOD Single : B 98 GLN : amide:sc= 0.00497 X(o=0.005,f=0) USER MOD Single : B 102 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0.658) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.553 4.958 13.355 1.00 0.00 N ATOM 340 CA ASP A 132 3.188 5.284 13.726 1.00 0.00 C ATOM 341 C ASP A 132 2.300 5.084 12.533 1.00 0.00 C ATOM 342 O ASP A 132 2.013 6.006 11.766 1.00 0.00 O ATOM 343 CB ASP A 132 3.070 6.699 14.237 1.00 0.00 C ATOM 344 CG ASP A 132 1.664 7.050 14.688 1.00 0.00 C ATOM 345 OD1 ASP A 132 0.871 6.131 14.957 1.00 0.00 O ATOM 346 OD2 ASP A 132 1.347 8.260 14.740 1.00 0.00 O ATOM 0 HA ASP A 132 2.880 4.624 14.537 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.758 6.837 15.071 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.377 7.390 13.452 1.00 0.00 H new ATOM 351 N TRP A 133 1.942 3.849 12.348 1.00 0.00 N ATOM 352 CA TRP A 133 1.099 3.441 11.251 1.00 0.00 C ATOM 353 C TRP A 133 -0.094 2.652 11.757 1.00 0.00 C ATOM 354 O TRP A 133 0.031 1.855 12.685 1.00 0.00 O ATOM 355 CB TRP A 133 1.880 2.541 10.287 1.00 0.00 C ATOM 356 CG TRP A 133 3.298 2.941 9.992 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.383 2.823 10.811 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.791 3.470 8.764 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.509 3.279 10.169 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.170 3.682 8.917 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.198 3.795 7.555 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.961 4.205 7.904 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.987 4.312 6.554 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.354 4.516 6.731 1.00 0.00 C ATOM 0 H TRP A 133 2.227 3.083 12.958 1.00 0.00 H new ATOM 0 HA TRP A 133 0.762 4.344 10.742 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.889 1.531 10.696 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.335 2.498 9.344 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.360 2.429 11.816 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.447 3.310 10.568 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.139 3.646 7.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.021 4.359 8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.535 4.566 5.606 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.939 4.928 5.922 1.00 0.00 H new ATOM 375 N GLU A 134 -1.244 2.881 11.142 1.00 0.00 N ATOM 376 CA GLU A 134 -2.431 2.124 11.457 1.00 0.00 C ATOM 377 C GLU A 134 -2.177 0.789 10.798 1.00 0.00 C ATOM 378 O GLU A 134 -2.293 0.648 9.579 1.00 0.00 O ATOM 379 CB GLU A 134 -3.690 2.790 10.885 1.00 0.00 C ATOM 380 CG GLU A 134 -3.742 4.299 11.092 1.00 0.00 C ATOM 381 CD GLU A 134 -4.606 5.002 10.061 1.00 0.00 C ATOM 382 OE1 GLU A 134 -5.837 4.831 10.099 1.00 0.00 O ATOM 383 OE2 GLU A 134 -4.045 5.727 9.208 1.00 0.00 O ATOM 0 H GLU A 134 -1.374 3.590 10.420 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.609 2.046 12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.747 2.578 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.569 2.340 11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.128 4.512 12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.730 4.703 11.049 1.00 0.00 H new ATOM 390 N GLU A 135 -1.756 -0.163 11.595 1.00 0.00 N ATOM 391 CA GLU A 135 -1.358 -1.448 11.082 1.00 0.00 C ATOM 392 C GLU A 135 -2.494 -2.254 10.474 1.00 0.00 C ATOM 393 O GLU A 135 -3.424 -2.700 11.144 1.00 0.00 O ATOM 394 CB GLU A 135 -0.612 -2.212 12.170 1.00 0.00 C ATOM 395 CG GLU A 135 -1.305 -2.248 13.516 1.00 0.00 C ATOM 396 CD GLU A 135 -0.315 -2.449 14.644 1.00 0.00 C ATOM 397 OE1 GLU A 135 0.797 -1.876 14.562 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.623 -3.191 15.592 1.00 0.00 O ATOM 0 H GLU A 135 -1.681 -0.069 12.608 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.687 -1.274 10.241 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.455 -3.236 11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.373 -1.764 12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.850 -1.317 13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.039 -3.053 13.527 1.00 0.00 H new ATOM 405 N VAL A 136 -2.392 -2.388 9.160 1.00 0.00 N ATOM 406 CA VAL A 136 -3.323 -3.147 8.353 1.00 0.00 C ATOM 407 C VAL A 136 -2.850 -4.583 8.248 1.00 0.00 C ATOM 408 O VAL A 136 -1.665 -4.845 8.054 1.00 0.00 O ATOM 409 CB VAL A 136 -3.428 -2.540 6.959 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.401 -3.270 6.090 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.783 -1.092 7.076 1.00 0.00 C ATOM 0 H VAL A 136 -1.641 -1.961 8.617 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.305 -3.120 8.825 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.458 -2.637 6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.438 -2.797 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.085 -4.307 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.391 -3.238 6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.859 -0.654 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.739 -0.992 7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.010 -0.573 7.643 1.00 0.00 H new ATOM 421 N GLU A 137 -3.781 -5.497 8.325 1.00 0.00 N ATOM 422 CA GLU A 137 -3.458 -6.923 8.318 1.00 0.00 C ATOM 423 C GLU A 137 -4.115 -7.687 7.190 1.00 0.00 C ATOM 424 O GLU A 137 -5.112 -7.246 6.636 1.00 0.00 O ATOM 425 CB GLU A 137 -3.843 -7.542 9.643 1.00 0.00 C ATOM 426 CG GLU A 137 -3.017 -6.993 10.773 1.00 0.00 C ATOM 427 CD GLU A 137 -1.668 -7.687 10.890 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.625 -8.931 10.767 1.00 0.00 O ATOM 429 OE2 GLU A 137 -0.644 -6.996 11.076 1.00 0.00 O ATOM 0 H GLU A 137 -4.778 -5.291 8.394 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.382 -6.995 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.899 -7.355 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.715 -8.623 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -2.862 -5.925 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.564 -7.106 11.709 1.00 0.00 H new ATOM 436 N GLU A 138 -3.495 -8.807 6.829 1.00 0.00 N ATOM 437 CA GLU A 138 -3.996 -9.688 5.781 1.00 0.00 C ATOM 438 C GLU A 138 -5.511 -9.873 5.911 1.00 0.00 C ATOM 439 O GLU A 138 -6.010 -10.422 6.893 1.00 0.00 O ATOM 440 CB GLU A 138 -3.277 -11.038 5.873 1.00 0.00 C ATOM 441 CG GLU A 138 -3.129 -11.547 7.301 1.00 0.00 C ATOM 442 CD GLU A 138 -2.043 -12.590 7.445 1.00 0.00 C ATOM 443 OE1 GLU A 138 -2.289 -13.764 7.111 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.926 -12.240 7.889 1.00 0.00 O ATOM 0 H GLU A 138 -2.627 -9.129 7.258 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.797 -9.240 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.827 -11.775 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.288 -10.946 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.908 -10.707 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -4.078 -11.970 7.631 1.00 0.00 H new ATOM 451 N LEU A 139 -6.226 -9.390 4.914 1.00 0.00 N ATOM 452 CA LEU A 139 -7.673 -9.445 4.896 1.00 0.00 C ATOM 453 C LEU A 139 -8.161 -10.380 3.795 1.00 0.00 C ATOM 454 O LEU A 139 -7.704 -10.309 2.656 1.00 0.00 O ATOM 455 CB LEU A 139 -8.217 -8.028 4.702 1.00 0.00 C ATOM 456 CG LEU A 139 -9.519 -7.890 3.911 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.699 -8.445 4.698 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.766 -6.433 3.553 1.00 0.00 C ATOM 0 H LEU A 139 -5.817 -8.947 4.091 1.00 0.00 H new ATOM 0 HA LEU A 139 -8.039 -9.842 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.369 -7.585 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.451 -7.436 4.201 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.420 -8.469 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.611 -8.334 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.530 -9.501 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.801 -7.898 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.696 -6.349 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.840 -5.842 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.940 -6.062 2.946 1.00 0.00 H new ATOM 815 N VAL B 8 0.501 -4.369 -13.873 1.00 0.00 N ATOM 816 CA VAL B 8 0.187 -3.474 -12.777 1.00 0.00 C ATOM 817 C VAL B 8 -1.317 -3.255 -12.669 1.00 0.00 C ATOM 818 O VAL B 8 -1.962 -2.800 -13.613 1.00 0.00 O ATOM 819 CB VAL B 8 0.885 -2.108 -12.946 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.666 -1.239 -11.720 1.00 0.00 C ATOM 821 CG2 VAL B 8 2.372 -2.291 -13.211 1.00 0.00 C ATOM 0 HA VAL B 8 0.552 -3.946 -11.865 1.00 0.00 H new ATOM 0 HB VAL B 8 0.444 -1.606 -13.807 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.166 -0.281 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.402 -1.074 -11.577 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.076 -1.738 -10.842 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.844 -1.315 -13.327 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.829 -2.818 -12.373 1.00 0.00 H new ATOM 0 HG23 VAL B 8 2.510 -2.871 -14.123 1.00 0.00 H new ATOM 831 N LEU B 9 -1.857 -3.586 -11.511 1.00 0.00 N ATOM 832 CA LEU B 9 -3.272 -3.430 -11.230 1.00 0.00 C ATOM 833 C LEU B 9 -3.551 -2.019 -10.730 1.00 0.00 C ATOM 834 O LEU B 9 -4.519 -1.377 -11.133 1.00 0.00 O ATOM 835 CB LEU B 9 -3.706 -4.436 -10.165 1.00 0.00 C ATOM 836 CG LEU B 9 -3.453 -5.907 -10.503 1.00 0.00 C ATOM 837 CD1 LEU B 9 -3.861 -6.797 -9.339 1.00 0.00 C ATOM 838 CD2 LEU B 9 -4.198 -6.305 -11.768 1.00 0.00 C ATOM 0 H LEU B 9 -1.322 -3.973 -10.733 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.833 -3.607 -12.148 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.187 -4.201 -9.236 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -4.771 -4.303 -9.978 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.386 -6.039 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.675 -7.840 -9.596 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.279 -6.531 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -4.922 -6.659 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.004 -7.354 -11.990 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.268 -6.157 -11.622 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.857 -5.689 -12.600 1.00 0.00 H new ATOM 850 N LEU B 10 -2.686 -1.547 -9.845 1.00 0.00 N ATOM 851 CA LEU B 10 -2.831 -0.215 -9.272 1.00 0.00 C ATOM 852 C LEU B 10 -1.574 0.618 -9.483 1.00 0.00 C ATOM 853 O LEU B 10 -0.488 0.253 -9.032 1.00 0.00 O ATOM 854 CB LEU B 10 -3.169 -0.287 -7.785 1.00 0.00 C ATOM 855 CG LEU B 10 -3.865 0.961 -7.241 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.232 1.136 -7.884 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.994 0.891 -5.729 1.00 0.00 C ATOM 0 H LEU B 10 -1.875 -2.066 -9.507 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.657 0.271 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.809 -1.152 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.250 -0.452 -7.222 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.252 1.827 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.711 2.030 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.116 1.239 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.850 0.265 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.492 1.789 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.580 0.014 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.002 0.819 -5.282 1.00 0.00 H new ATOM 869 N ILE B 11 -1.730 1.738 -10.177 1.00 0.00 N ATOM 870 CA ILE B 11 -0.616 2.630 -10.455 1.00 0.00 C ATOM 871 C ILE B 11 -0.632 3.826 -9.515 1.00 0.00 C ATOM 872 O ILE B 11 -1.491 4.699 -9.616 1.00 0.00 O ATOM 873 CB ILE B 11 -0.633 3.123 -11.922 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.408 1.943 -12.872 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.421 4.203 -12.142 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.355 2.330 -14.333 1.00 0.00 C ATOM 0 H ILE B 11 -2.623 2.050 -10.559 1.00 0.00 H new ATOM 0 HA ILE B 11 0.299 2.060 -10.294 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.609 3.561 -12.133 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.525 1.447 -12.604 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.208 1.217 -12.728 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.391 4.535 -13.180 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.218 5.049 -11.485 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.408 3.799 -11.919 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.193 1.439 -14.940 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.297 2.798 -14.620 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.463 3.032 -14.494 1.00 0.00 H new ATOM 888 N VAL B 12 0.316 3.837 -8.596 1.00 0.00 N ATOM 889 CA VAL B 12 0.451 4.913 -7.630 1.00 0.00 C ATOM 890 C VAL B 12 1.608 5.813 -8.040 1.00 0.00 C ATOM 891 O VAL B 12 2.656 5.332 -8.481 1.00 0.00 O ATOM 892 CB VAL B 12 0.691 4.352 -6.217 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.727 5.463 -5.181 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.380 3.331 -5.878 1.00 0.00 C ATOM 0 H VAL B 12 1.015 3.100 -8.498 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.473 5.490 -7.612 1.00 0.00 H new ATOM 0 HB VAL B 12 1.664 3.861 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.898 5.034 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.533 6.157 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.224 5.996 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.204 2.938 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.360 3.806 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.346 2.515 -6.599 1.00 0.00 H new ATOM 904 N LYS B 13 1.423 7.112 -7.904 1.00 0.00 N ATOM 905 CA LYS B 13 2.452 8.061 -8.300 1.00 0.00 C ATOM 906 C LYS B 13 3.213 8.621 -7.099 1.00 0.00 C ATOM 907 O LYS B 13 2.932 8.262 -5.960 1.00 0.00 O ATOM 908 CB LYS B 13 1.836 9.201 -9.118 1.00 0.00 C ATOM 909 CG LYS B 13 1.043 8.729 -10.333 1.00 0.00 C ATOM 910 CD LYS B 13 1.807 7.689 -11.149 1.00 0.00 C ATOM 911 CE LYS B 13 3.043 8.280 -11.808 1.00 0.00 C ATOM 912 NZ LYS B 13 4.221 7.383 -11.675 1.00 0.00 N ATOM 0 H LYS B 13 0.576 7.535 -7.525 1.00 0.00 H new ATOM 0 HA LYS B 13 3.171 7.522 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS B 13 1.180 9.786 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.632 9.867 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.094 8.305 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.807 9.584 -10.966 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.101 6.864 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS B 13 1.151 7.275 -11.914 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.841 8.461 -12.864 1.00 0.00 H new ATOM 0 HE3 LYS B 13 3.269 9.246 -11.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.958 7.859 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.936 6.505 -11.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.594 7.157 -12.619 1.00 0.00 H new ATOM 926 N LYS B 14 4.137 9.539 -7.405 1.00 0.00 N ATOM 927 CA LYS B 14 5.022 10.220 -6.447 1.00 0.00 C ATOM 928 C LYS B 14 5.117 9.559 -5.064 1.00 0.00 C ATOM 929 O LYS B 14 4.576 10.059 -4.077 1.00 0.00 O ATOM 930 CB LYS B 14 4.556 11.663 -6.288 1.00 0.00 C ATOM 931 CG LYS B 14 4.782 12.529 -7.515 1.00 0.00 C ATOM 932 CD LYS B 14 4.172 13.909 -7.326 1.00 0.00 C ATOM 933 CE LYS B 14 3.319 14.316 -8.517 1.00 0.00 C ATOM 934 NZ LYS B 14 2.071 15.011 -8.093 1.00 0.00 N ATOM 0 H LYS B 14 4.297 9.842 -8.366 1.00 0.00 H new ATOM 0 HA LYS B 14 6.026 10.157 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.493 11.665 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.076 12.110 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.851 12.623 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.342 12.049 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.562 13.916 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.966 14.641 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.896 14.971 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.062 13.431 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.477 15.197 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.550 14.410 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.314 15.912 -7.633 1.00 0.00 H new ATOM 948 N VAL B 15 5.835 8.449 -5.008 1.00 0.00 N ATOM 949 CA VAL B 15 6.064 7.723 -3.768 1.00 0.00 C ATOM 950 C VAL B 15 7.553 7.784 -3.449 1.00 0.00 C ATOM 951 O VAL B 15 8.385 7.472 -4.298 1.00 0.00 O ATOM 952 CB VAL B 15 5.614 6.244 -3.865 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.966 5.478 -2.597 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.121 6.151 -4.132 1.00 0.00 C ATOM 0 H VAL B 15 6.277 8.024 -5.823 1.00 0.00 H new ATOM 0 HA VAL B 15 5.472 8.188 -2.979 1.00 0.00 H new ATOM 0 HB VAL B 15 6.149 5.791 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.638 4.443 -2.694 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.045 5.504 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.467 5.938 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.827 5.103 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.576 6.632 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.888 6.651 -5.072 1.00 0.00 H new ATOM 964 N ARG B 16 7.895 8.200 -2.245 1.00 0.00 N ATOM 965 CA ARG B 16 9.284 8.316 -1.858 1.00 0.00 C ATOM 966 C ARG B 16 9.622 7.382 -0.712 1.00 0.00 C ATOM 967 O ARG B 16 8.915 7.327 0.286 1.00 0.00 O ATOM 968 CB ARG B 16 9.602 9.758 -1.458 1.00 0.00 C ATOM 969 CG ARG B 16 9.595 10.726 -2.630 1.00 0.00 C ATOM 970 CD ARG B 16 9.887 12.149 -2.185 1.00 0.00 C ATOM 971 NE ARG B 16 11.318 12.384 -1.978 1.00 0.00 N ATOM 972 CZ ARG B 16 11.826 13.514 -1.483 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.017 14.505 -1.118 1.00 0.00 N ATOM 974 NH2 ARG B 16 13.141 13.649 -1.346 1.00 0.00 N ATOM 0 H ARG B 16 7.228 8.463 -1.519 1.00 0.00 H new ATOM 0 HA ARG B 16 9.891 8.033 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.874 10.091 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.581 9.787 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG B 16 10.338 10.414 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.624 10.691 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.511 12.846 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.350 12.355 -1.259 1.00 0.00 H new ATOM 0 HE ARG B 16 11.966 11.637 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.007 14.401 -1.216 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.407 15.368 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.763 12.888 -1.619 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.528 14.513 -0.967 1.00 0.00 H new ATOM 988 N GLN B 17 10.691 6.630 -0.870 1.00 0.00 N ATOM 989 CA GLN B 17 11.132 5.734 0.179 1.00 0.00 C ATOM 990 C GLN B 17 12.469 6.235 0.709 1.00 0.00 C ATOM 991 O GLN B 17 13.476 6.212 0.002 1.00 0.00 O ATOM 992 CB GLN B 17 11.208 4.281 -0.318 1.00 0.00 C ATOM 993 CG GLN B 17 12.187 4.039 -1.457 1.00 0.00 C ATOM 994 CD GLN B 17 13.437 3.310 -1.002 1.00 0.00 C ATOM 995 OE1 GLN B 17 13.306 2.487 0.028 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 14.510 3.482 -1.569 1.00 0.00 N flip ATOM 0 H GLN B 17 11.269 6.621 -1.711 1.00 0.00 H new ATOM 0 HA GLN B 17 10.407 5.731 0.993 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.484 3.641 0.520 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.214 3.972 -0.642 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.695 3.458 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.468 4.995 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.572 4.124 -2.359 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.341 2.983 -1.251 1.00 0.00 H new ATOM 1005 N LYS B 18 12.447 6.754 1.931 1.00 0.00 N ATOM 1006 CA LYS B 18 13.642 7.305 2.563 1.00 0.00 C ATOM 1007 C LYS B 18 14.154 8.488 1.745 1.00 0.00 C ATOM 1008 O LYS B 18 15.352 8.638 1.510 1.00 0.00 O ATOM 1009 CB LYS B 18 14.724 6.236 2.749 1.00 0.00 C ATOM 1010 CG LYS B 18 14.401 5.225 3.843 1.00 0.00 C ATOM 1011 CD LYS B 18 14.930 5.661 5.208 1.00 0.00 C ATOM 1012 CE LYS B 18 14.007 6.660 5.897 1.00 0.00 C ATOM 1013 NZ LYS B 18 13.624 6.214 7.265 1.00 0.00 N ATOM 0 H LYS B 18 11.608 6.805 2.509 1.00 0.00 H new ATOM 0 HA LYS B 18 13.380 7.658 3.560 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.866 5.706 1.807 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.669 6.725 2.985 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.321 5.088 3.901 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.831 4.259 3.580 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.052 4.784 5.844 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.917 6.107 5.087 1.00 0.00 H new ATOM 0 HE2 LYS B 18 14.502 7.629 5.957 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.108 6.798 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.997 6.921 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.129 5.301 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.479 6.107 7.847 1.00 0.00 H new ATOM 1027 N LYS B 19 13.194 9.305 1.303 1.00 0.00 N ATOM 1028 CA LYS B 19 13.445 10.518 0.524 1.00 0.00 C ATOM 1029 C LYS B 19 13.847 10.238 -0.926 1.00 0.00 C ATOM 1030 O LYS B 19 14.290 11.148 -1.630 1.00 0.00 O ATOM 1031 CB LYS B 19 14.495 11.401 1.207 1.00 0.00 C ATOM 1032 CG LYS B 19 13.897 12.493 2.082 1.00 0.00 C ATOM 1033 CD LYS B 19 12.974 11.927 3.154 1.00 0.00 C ATOM 1034 CE LYS B 19 13.741 11.160 4.221 1.00 0.00 C ATOM 1035 NZ LYS B 19 14.862 11.959 4.780 1.00 0.00 N ATOM 0 H LYS B 19 12.204 9.138 1.480 1.00 0.00 H new ATOM 0 HA LYS B 19 12.495 11.051 0.487 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.144 10.773 1.817 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.122 11.861 0.444 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.700 13.057 2.557 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.341 13.193 1.458 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.419 12.741 3.621 1.00 0.00 H new ATOM 0 HD3 LYS B 19 12.241 11.267 2.690 1.00 0.00 H new ATOM 0 HE2 LYS B 19 13.061 10.877 5.024 1.00 0.00 H new ATOM 0 HE3 LYS B 19 14.131 10.236 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.174 11.538 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 15.655 11.964 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.543 12.935 4.947 1.00 0.00 H new ATOM 1049 N GLN B 20 13.654 9.013 -1.393 1.00 0.00 N ATOM 1050 CA GLN B 20 14.003 8.674 -2.771 1.00 0.00 C ATOM 1051 C GLN B 20 12.763 8.757 -3.654 1.00 0.00 C ATOM 1052 O GLN B 20 11.731 8.181 -3.325 1.00 0.00 O ATOM 1053 CB GLN B 20 14.628 7.279 -2.855 1.00 0.00 C ATOM 1054 CG GLN B 20 15.034 6.893 -4.269 1.00 0.00 C ATOM 1055 CD GLN B 20 16.074 5.786 -4.321 1.00 0.00 C ATOM 1056 OE1 GLN B 20 16.031 4.876 -3.363 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.906 5.746 -5.224 1.00 0.00 N flip ATOM 0 H GLN B 20 13.263 8.244 -0.849 1.00 0.00 H new ATOM 0 HA GLN B 20 14.743 9.392 -3.126 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.504 7.240 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.918 6.545 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.148 6.574 -4.819 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.426 7.773 -4.779 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.909 6.466 -5.947 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.594 4.993 -5.251 1.00 0.00 H new ATOM 1066 N ASP B 21 12.869 9.482 -4.767 1.00 0.00 N ATOM 1067 CA ASP B 21 11.742 9.658 -5.686 1.00 0.00 C ATOM 1068 C ASP B 21 11.356 8.344 -6.352 1.00 0.00 C ATOM 1069 O ASP B 21 12.220 7.533 -6.685 1.00 0.00 O ATOM 1070 CB ASP B 21 12.075 10.707 -6.767 1.00 0.00 C ATOM 1071 CG ASP B 21 12.718 10.115 -8.020 1.00 0.00 C ATOM 1072 OD1 ASP B 21 11.983 9.642 -8.913 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.960 10.134 -8.129 1.00 0.00 O ATOM 0 H ASP B 21 13.724 9.958 -5.055 1.00 0.00 H new ATOM 0 HA ASP B 21 10.896 10.008 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP B 21 11.160 11.227 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.747 11.453 -6.342 1.00 0.00 H new ATOM 1078 N GLY B 22 10.056 8.114 -6.499 1.00 0.00 N ATOM 1079 CA GLY B 22 9.603 6.920 -7.155 1.00 0.00 C ATOM 1080 C GLY B 22 8.105 6.864 -7.305 1.00 0.00 C ATOM 1081 O GLY B 22 7.398 7.818 -6.999 1.00 0.00 O ATOM 0 H GLY B 22 9.316 8.736 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.064 6.856 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.939 6.051 -6.589 1.00 0.00 H new ATOM 1085 N ALA B 23 7.639 5.745 -7.806 1.00 0.00 N ATOM 1086 CA ALA B 23 6.232 5.490 -7.997 1.00 0.00 C ATOM 1087 C ALA B 23 5.953 4.069 -7.557 1.00 0.00 C ATOM 1088 O ALA B 23 6.782 3.181 -7.761 1.00 0.00 O ATOM 1089 CB ALA B 23 5.839 5.706 -9.446 1.00 0.00 C ATOM 0 H ALA B 23 8.238 4.973 -8.097 1.00 0.00 H new ATOM 0 HA ALA B 23 5.637 6.183 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.774 5.508 -9.568 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.052 6.736 -9.731 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.409 5.029 -10.082 1.00 0.00 H new ATOM 1095 N LEU B 24 4.802 3.844 -6.965 1.00 0.00 N ATOM 1096 CA LEU B 24 4.469 2.528 -6.464 1.00 0.00 C ATOM 1097 C LEU B 24 3.499 1.838 -7.427 1.00 0.00 C ATOM 1098 O LEU B 24 2.404 2.327 -7.676 1.00 0.00 O ATOM 1099 CB LEU B 24 3.867 2.676 -5.062 1.00 0.00 C ATOM 1100 CG LEU B 24 4.133 1.524 -4.088 1.00 0.00 C ATOM 1101 CD1 LEU B 24 3.101 1.518 -2.973 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.162 0.185 -4.798 1.00 0.00 C ATOM 0 H LEU B 24 4.082 4.552 -6.818 1.00 0.00 H new ATOM 0 HA LEU B 24 5.361 1.906 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.251 3.595 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.789 2.797 -5.163 1.00 0.00 H new ATOM 0 HG LEU B 24 5.118 1.684 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.307 0.693 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU B 24 3.150 2.460 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU B 24 2.105 1.397 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.353 -0.607 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.202 0.009 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU B 24 4.952 0.188 -5.549 1.00 0.00 H new ATOM 1114 N TYR B 25 3.915 0.708 -7.978 1.00 0.00 N ATOM 1115 CA TYR B 25 3.087 -0.027 -8.920 1.00 0.00 C ATOM 1116 C TYR B 25 2.686 -1.389 -8.358 1.00 0.00 C ATOM 1117 O TYR B 25 3.523 -2.273 -8.167 1.00 0.00 O ATOM 1118 CB TYR B 25 3.821 -0.196 -10.255 1.00 0.00 C ATOM 1119 CG TYR B 25 4.162 1.116 -10.930 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.252 1.745 -11.767 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.394 1.726 -10.726 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.559 2.944 -12.383 1.00 0.00 C ATOM 1123 CE2 TYR B 25 5.707 2.925 -11.337 1.00 0.00 C ATOM 1124 CZ TYR B 25 4.787 3.530 -12.164 1.00 0.00 C ATOM 1125 OH TYR B 25 5.092 4.731 -12.772 1.00 0.00 O ATOM 0 H TYR B 25 4.821 0.280 -7.789 1.00 0.00 H new ATOM 0 HA TYR B 25 2.177 0.548 -9.088 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.740 -0.758 -10.086 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.203 -0.791 -10.927 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.288 1.291 -11.940 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.119 1.255 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.840 3.419 -13.033 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.669 3.386 -11.167 1.00 0.00 H new ATOM 0 HH TYR B 25 5.995 5.009 -12.513 1.00 0.00 H new ATOM 1135 N LEU B 26 1.400 -1.539 -8.090 1.00 0.00 N ATOM 1136 CA LEU B 26 0.858 -2.780 -7.555 1.00 0.00 C ATOM 1137 C LEU B 26 0.563 -3.748 -8.684 1.00 0.00 C ATOM 1138 O LEU B 26 -0.394 -3.553 -9.419 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.434 -2.499 -6.787 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.247 -1.928 -5.388 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.576 -1.486 -4.808 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.389 -2.962 -4.494 1.00 0.00 C ATOM 0 H LEU B 26 0.703 -0.808 -8.236 1.00 0.00 H new ATOM 0 HA LEU B 26 1.595 -3.219 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.039 -1.803 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.001 -3.427 -6.710 1.00 0.00 H new ATOM 0 HG LEU B 26 0.406 -1.058 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.420 -1.081 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.014 -0.718 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.251 -2.340 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.520 -2.548 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.253 -3.841 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.360 -3.246 -4.899 1.00 0.00 H new ATOM 1154 N MET B 27 1.373 -4.783 -8.827 1.00 0.00 N ATOM 1155 CA MET B 27 1.160 -5.755 -9.891 1.00 0.00 C ATOM 1156 C MET B 27 0.294 -6.912 -9.400 1.00 0.00 C ATOM 1157 O MET B 27 -0.342 -6.817 -8.350 1.00 0.00 O ATOM 1158 CB MET B 27 2.490 -6.268 -10.440 1.00 0.00 C ATOM 1159 CG MET B 27 3.402 -5.170 -10.943 1.00 0.00 C ATOM 1160 SD MET B 27 5.126 -5.465 -10.520 1.00 0.00 S ATOM 1161 CE MET B 27 5.902 -4.082 -11.342 1.00 0.00 C ATOM 0 H MET B 27 2.176 -4.973 -8.228 1.00 0.00 H new ATOM 0 HA MET B 27 0.633 -5.255 -10.703 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.005 -6.827 -9.658 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.293 -6.966 -11.254 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.305 -5.088 -12.026 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.085 -4.216 -10.521 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.982 -4.138 -11.207 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.667 -4.113 -12.406 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.531 -3.150 -10.916 1.00 0.00 H new ATOM 1171 N ALA B 28 0.272 -8.003 -10.157 1.00 0.00 N ATOM 1172 CA ALA B 28 -0.543 -9.160 -9.805 1.00 0.00 C ATOM 1173 C ALA B 28 0.111 -10.051 -8.753 1.00 0.00 C ATOM 1174 O ALA B 28 -0.501 -10.372 -7.739 1.00 0.00 O ATOM 1175 CB ALA B 28 -0.842 -9.977 -11.051 1.00 0.00 C ATOM 0 H ALA B 28 0.809 -8.111 -11.018 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.466 -8.777 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.451 -10.840 -10.783 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.383 -9.361 -11.769 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.093 -10.317 -11.496 1.00 0.00 H new ATOM 1181 N GLU B 29 1.352 -10.450 -8.994 1.00 0.00 N ATOM 1182 CA GLU B 29 2.052 -11.341 -8.071 1.00 0.00 C ATOM 1183 C GLU B 29 2.887 -10.600 -7.033 1.00 0.00 C ATOM 1184 O GLU B 29 3.178 -11.146 -5.965 1.00 0.00 O ATOM 1185 CB GLU B 29 2.952 -12.300 -8.845 1.00 0.00 C ATOM 1186 CG GLU B 29 2.267 -13.596 -9.241 1.00 0.00 C ATOM 1187 CD GLU B 29 3.233 -14.600 -9.836 1.00 0.00 C ATOM 1188 OE1 GLU B 29 4.455 -14.437 -9.651 1.00 0.00 O ATOM 1189 OE2 GLU B 29 2.777 -15.553 -10.498 1.00 0.00 O ATOM 0 H GLU B 29 1.894 -10.175 -9.813 1.00 0.00 H new ATOM 0 HA GLU B 29 1.279 -11.890 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.312 -11.800 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.827 -12.533 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.787 -14.033 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.479 -13.382 -9.963 1.00 0.00 H new ATOM 1196 N ARG B 30 3.269 -9.365 -7.315 1.00 0.00 N ATOM 1197 CA ARG B 30 4.102 -8.630 -6.376 1.00 0.00 C ATOM 1198 C ARG B 30 3.899 -7.130 -6.473 1.00 0.00 C ATOM 1199 O ARG B 30 3.376 -6.618 -7.462 1.00 0.00 O ATOM 1200 CB ARG B 30 5.584 -8.960 -6.607 1.00 0.00 C ATOM 1201 CG ARG B 30 6.146 -8.420 -7.914 1.00 0.00 C ATOM 1202 CD ARG B 30 6.018 -9.430 -9.043 1.00 0.00 C ATOM 1203 NE ARG B 30 6.080 -8.789 -10.354 1.00 0.00 N ATOM 1204 CZ ARG B 30 5.117 -8.868 -11.270 1.00 0.00 C ATOM 1205 NH1 ARG B 30 4.047 -9.625 -11.054 1.00 0.00 N ATOM 1206 NH2 ARG B 30 5.232 -8.206 -12.409 1.00 0.00 N ATOM 0 H ARG B 30 3.023 -8.859 -8.166 1.00 0.00 H new ATOM 0 HA ARG B 30 3.801 -8.943 -5.376 1.00 0.00 H new ATOM 0 HB2 ARG B 30 6.168 -8.557 -5.779 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.711 -10.042 -6.589 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.621 -7.504 -8.185 1.00 0.00 H new ATOM 0 HG3 ARG B 30 7.195 -8.158 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.815 -10.169 -8.962 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.074 -9.967 -8.945 1.00 0.00 H new ATOM 0 HE ARG B 30 6.913 -8.247 -10.582 1.00 0.00 H new ATOM 0 HH11 ARG B 30 3.960 -10.149 -10.183 1.00 0.00 H new ATOM 0 HH12 ARG B 30 3.312 -9.682 -11.759 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.058 -7.635 -12.586 1.00 0.00 H new ATOM 0 HH22 ARG B 30 4.494 -8.267 -13.111 1.00 0.00 H new ATOM 1220 N ILE B 31 4.315 -6.445 -5.424 1.00 0.00 N ATOM 1221 CA ILE B 31 4.238 -5.001 -5.355 1.00 0.00 C ATOM 1222 C ILE B 31 5.626 -4.442 -5.639 1.00 0.00 C ATOM 1223 O ILE B 31 6.594 -4.797 -4.964 1.00 0.00 O ATOM 1224 CB ILE B 31 3.728 -4.520 -3.971 1.00 0.00 C ATOM 1225 CG1 ILE B 31 3.936 -3.015 -3.807 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.415 -5.278 -2.844 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.429 -2.471 -2.487 1.00 0.00 C ATOM 0 H ILE B 31 4.717 -6.878 -4.593 1.00 0.00 H new ATOM 0 HA ILE B 31 3.523 -4.641 -6.095 1.00 0.00 H new ATOM 0 HB ILE B 31 2.659 -4.726 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.999 -2.792 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.431 -2.496 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.040 -4.922 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.207 -6.343 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.491 -5.112 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.611 -1.397 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.359 -2.662 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.952 -2.962 -1.666 1.00 0.00 H new ATOM 1239 N ALA B 32 5.738 -3.603 -6.651 1.00 0.00 N ATOM 1240 CA ALA B 32 7.029 -3.051 -7.006 1.00 0.00 C ATOM 1241 C ALA B 32 7.011 -1.533 -7.029 1.00 0.00 C ATOM 1242 O ALA B 32 5.996 -0.908 -7.321 1.00 0.00 O ATOM 1243 CB ALA B 32 7.487 -3.600 -8.343 1.00 0.00 C ATOM 0 H ALA B 32 4.961 -3.292 -7.234 1.00 0.00 H new ATOM 0 HA ALA B 32 7.739 -3.354 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.459 -3.176 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.569 -4.685 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.763 -3.334 -9.113 1.00 0.00 H new ATOM 1249 N TRP B 33 8.152 -0.955 -6.721 1.00 0.00 N ATOM 1250 CA TRP B 33 8.312 0.481 -6.690 1.00 0.00 C ATOM 1251 C TRP B 33 9.508 0.873 -7.550 1.00 0.00 C ATOM 1252 O TRP B 33 10.557 0.223 -7.502 1.00 0.00 O ATOM 1253 CB TRP B 33 8.491 0.937 -5.235 1.00 0.00 C ATOM 1254 CG TRP B 33 8.840 2.386 -5.062 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.981 3.422 -4.829 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.150 2.952 -5.089 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.680 4.594 -4.711 1.00 0.00 N ATOM 1258 CE2 TRP B 33 10.017 4.332 -4.867 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.423 2.419 -5.282 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 11.114 5.186 -4.833 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.511 3.265 -5.250 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.352 4.636 -5.026 1.00 0.00 C ATOM 0 H TRP B 33 8.999 -1.472 -6.484 1.00 0.00 H new ATOM 0 HA TRP B 33 7.428 0.973 -7.095 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.569 0.734 -4.690 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.273 0.333 -4.775 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.908 3.330 -4.749 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.272 5.512 -4.536 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.555 1.361 -5.454 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.993 6.245 -4.660 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.502 2.862 -5.400 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.224 5.273 -5.005 1.00 0.00 H new ATOM 1273 N ALA B 34 9.337 1.913 -8.347 1.00 0.00 N ATOM 1274 CA ALA B 34 10.393 2.393 -9.225 1.00 0.00 C ATOM 1275 C ALA B 34 10.384 3.904 -9.271 1.00 0.00 C ATOM 1276 O ALA B 34 9.320 4.505 -9.335 1.00 0.00 O ATOM 1277 CB ALA B 34 10.217 1.841 -10.626 1.00 0.00 C ATOM 0 H ALA B 34 8.469 2.446 -8.405 1.00 0.00 H new ATOM 0 HA ALA B 34 11.349 2.049 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.017 2.212 -11.266 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.253 0.752 -10.595 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.255 2.161 -11.025 1.00 0.00 H new ATOM 1283 N PRO B 35 11.566 4.533 -9.231 1.00 0.00 N ATOM 1284 CA PRO B 35 11.691 5.994 -9.274 1.00 0.00 C ATOM 1285 C PRO B 35 10.893 6.615 -10.431 1.00 0.00 C ATOM 1286 O PRO B 35 10.783 6.026 -11.508 1.00 0.00 O ATOM 1287 CB PRO B 35 13.193 6.210 -9.449 1.00 0.00 C ATOM 1288 CG PRO B 35 13.822 5.003 -8.848 1.00 0.00 C ATOM 1289 CD PRO B 35 12.878 3.868 -9.130 1.00 0.00 C ATOM 0 HA PRO B 35 11.288 6.473 -8.382 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.458 6.312 -10.501 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.523 7.120 -8.947 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.803 4.814 -9.285 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.970 5.132 -7.776 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.138 3.349 -10.053 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.892 3.126 -8.332 1.00 0.00 H new ATOM 1411 N ILE B 43 12.632 -1.893 -6.324 1.00 0.00 N ATOM 1412 CA ILE B 43 12.008 -2.520 -5.173 1.00 0.00 C ATOM 1413 C ILE B 43 10.860 -3.412 -5.635 1.00 0.00 C ATOM 1414 O ILE B 43 9.972 -2.954 -6.348 1.00 0.00 O ATOM 1415 CB ILE B 43 11.483 -1.453 -4.183 1.00 0.00 C ATOM 1416 CG1 ILE B 43 12.654 -0.767 -3.474 1.00 0.00 C ATOM 1417 CG2 ILE B 43 10.527 -2.067 -3.172 1.00 0.00 C ATOM 1418 CD1 ILE B 43 12.229 0.297 -2.486 1.00 0.00 C ATOM 0 HA ILE B 43 12.755 -3.125 -4.659 1.00 0.00 H new ATOM 0 HB ILE B 43 10.931 -0.703 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE B 43 13.243 -1.521 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.306 -0.316 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE B 43 10.174 -1.294 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.677 -2.505 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE B 43 11.044 -2.842 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.112 0.738 -2.024 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.666 1.072 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE B 43 11.602 -0.152 -1.715 1.00 0.00 H new ATOM 1430 N SER B 44 10.898 -4.682 -5.256 1.00 0.00 N ATOM 1431 CA SER B 44 9.858 -5.625 -5.636 1.00 0.00 C ATOM 1432 C SER B 44 9.646 -6.647 -4.521 1.00 0.00 C ATOM 1433 O SER B 44 10.561 -7.393 -4.172 1.00 0.00 O ATOM 1434 CB SER B 44 10.254 -6.332 -6.932 1.00 0.00 C ATOM 1435 OG SER B 44 9.129 -6.908 -7.576 1.00 0.00 O ATOM 0 H SER B 44 11.641 -5.083 -4.684 1.00 0.00 H new ATOM 0 HA SER B 44 8.925 -5.085 -5.796 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.734 -5.620 -7.604 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.987 -7.109 -6.714 1.00 0.00 H new ATOM 0 HG SER B 44 9.416 -7.351 -8.402 1.00 0.00 H new ATOM 1441 N HIS B 45 8.447 -6.670 -3.956 1.00 0.00 N ATOM 1442 CA HIS B 45 8.129 -7.601 -2.879 1.00 0.00 C ATOM 1443 C HIS B 45 6.941 -8.468 -3.255 1.00 0.00 C ATOM 1444 O HIS B 45 5.858 -7.962 -3.554 1.00 0.00 O ATOM 1445 CB HIS B 45 7.825 -6.847 -1.576 1.00 0.00 C ATOM 1446 CG HIS B 45 8.946 -5.971 -1.102 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.857 -6.335 -0.135 1.00 0.00 N ATOM 1448 CD2 HIS B 45 9.292 -4.718 -1.487 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.709 -5.316 0.034 1.00 0.00 C ATOM 1450 NE2 HIS B 45 10.410 -4.309 -0.764 1.00 0.00 N ATOM 0 H HIS B 45 7.678 -6.056 -4.224 1.00 0.00 H new ATOM 0 HA HIS B 45 8.999 -8.238 -2.722 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.936 -6.234 -1.722 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.589 -7.571 -0.796 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.782 -4.130 -2.236 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.533 -5.318 0.732 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.897 -3.416 -0.837 1.00 0.00 H new ATOM 1458 N MET B 46 7.151 -9.774 -3.262 1.00 0.00 N ATOM 1459 CA MET B 46 6.086 -10.711 -3.584 1.00 0.00 C ATOM 1460 C MET B 46 5.053 -10.699 -2.470 1.00 0.00 C ATOM 1461 O MET B 46 5.415 -10.700 -1.294 1.00 0.00 O ATOM 1462 CB MET B 46 6.643 -12.127 -3.762 1.00 0.00 C ATOM 1463 CG MET B 46 7.453 -12.318 -5.036 1.00 0.00 C ATOM 1464 SD MET B 46 6.433 -12.302 -6.523 1.00 0.00 S ATOM 1465 CE MET B 46 5.428 -13.762 -6.262 1.00 0.00 C ATOM 0 H MET B 46 8.048 -10.210 -3.049 1.00 0.00 H new ATOM 0 HA MET B 46 5.621 -10.407 -4.522 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.271 -12.370 -2.905 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.814 -12.835 -3.761 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.202 -11.529 -5.106 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.991 -13.264 -4.980 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.381 -14.341 -7.184 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.870 -14.371 -5.474 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.422 -13.463 -5.969 1.00 0.00 H new ATOM 1475 N TYR B 47 3.774 -10.676 -2.831 1.00 0.00 N ATOM 1476 CA TYR B 47 2.703 -10.665 -1.832 1.00 0.00 C ATOM 1477 C TYR B 47 2.820 -11.888 -0.927 1.00 0.00 C ATOM 1478 O TYR B 47 2.436 -11.860 0.238 1.00 0.00 O ATOM 1479 CB TYR B 47 1.326 -10.639 -2.505 1.00 0.00 C ATOM 1480 CG TYR B 47 1.091 -9.434 -3.392 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.492 -8.164 -2.997 1.00 0.00 C ATOM 1482 CD2 TYR B 47 0.466 -9.570 -4.624 1.00 0.00 C ATOM 1483 CE1 TYR B 47 1.277 -7.066 -3.808 1.00 0.00 C ATOM 1484 CE2 TYR B 47 0.250 -8.475 -5.439 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.657 -7.227 -5.028 1.00 0.00 C ATOM 1486 OH TYR B 47 0.446 -6.135 -5.838 1.00 0.00 O ATOM 0 H TYR B 47 3.452 -10.665 -3.799 1.00 0.00 H new ATOM 0 HA TYR B 47 2.806 -9.762 -1.230 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.209 -11.544 -3.102 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.556 -10.664 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR B 47 1.979 -8.033 -2.042 1.00 0.00 H new ATOM 0 HD2 TYR B 47 0.143 -10.547 -4.951 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.594 -6.085 -3.487 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.237 -8.599 -6.395 1.00 0.00 H new ATOM 0 HH TYR B 47 0.028 -6.425 -6.676 1.00 0.00 H new ATOM 1496 N ALA B 48 3.369 -12.955 -1.489 1.00 0.00 N ATOM 1497 CA ALA B 48 3.580 -14.206 -0.777 1.00 0.00 C ATOM 1498 C ALA B 48 4.571 -14.079 0.384 1.00 0.00 C ATOM 1499 O ALA B 48 4.644 -14.976 1.222 1.00 0.00 O ATOM 1500 CB ALA B 48 4.073 -15.259 -1.756 1.00 0.00 C ATOM 0 H ALA B 48 3.683 -12.977 -2.459 1.00 0.00 H new ATOM 0 HA ALA B 48 2.623 -14.495 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.233 -16.199 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.329 -15.404 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA B 48 5.011 -14.929 -2.203 1.00 0.00 H new ATOM 1506 N ASP B 49 5.323 -12.978 0.434 1.00 0.00 N ATOM 1507 CA ASP B 49 6.322 -12.762 1.478 1.00 0.00 C ATOM 1508 C ASP B 49 5.926 -11.627 2.413 1.00 0.00 C ATOM 1509 O ASP B 49 6.580 -11.383 3.433 1.00 0.00 O ATOM 1510 CB ASP B 49 7.661 -12.432 0.856 1.00 0.00 C ATOM 1511 CG ASP B 49 8.385 -13.646 0.309 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.819 -14.347 -0.560 1.00 0.00 O ATOM 1513 OD2 ASP B 49 9.523 -13.909 0.746 1.00 0.00 O ATOM 0 H ASP B 49 5.257 -12.218 -0.243 1.00 0.00 H new ATOM 0 HA ASP B 49 6.388 -13.684 2.056 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.512 -11.713 0.050 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.291 -11.948 1.602 1.00 0.00 H new ATOM 1518 N ILE B 50 4.865 -10.924 2.074 1.00 0.00 N ATOM 1519 CA ILE B 50 4.398 -9.843 2.913 1.00 0.00 C ATOM 1520 C ILE B 50 3.304 -10.361 3.827 1.00 0.00 C ATOM 1521 O ILE B 50 2.436 -11.117 3.399 1.00 0.00 O ATOM 1522 CB ILE B 50 3.877 -8.658 2.086 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.760 -8.458 0.853 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.847 -7.395 2.935 1.00 0.00 C ATOM 1525 CD1 ILE B 50 4.468 -7.190 0.098 1.00 0.00 C ATOM 0 H ILE B 50 4.314 -11.081 1.230 1.00 0.00 H new ATOM 0 HA ILE B 50 5.240 -9.480 3.502 1.00 0.00 H new ATOM 0 HB ILE B 50 2.860 -8.872 1.757 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.805 -8.453 1.163 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.630 -9.308 0.183 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.476 -6.563 2.337 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.190 -7.548 3.791 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.854 -7.169 3.286 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.133 -7.118 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.433 -7.200 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.626 -6.332 0.752 1.00 0.00 H new ATOM 1537 N LYS B 51 3.355 -9.984 5.089 1.00 0.00 N ATOM 1538 CA LYS B 51 2.364 -10.452 6.035 1.00 0.00 C ATOM 1539 C LYS B 51 1.284 -9.406 6.254 1.00 0.00 C ATOM 1540 O LYS B 51 0.103 -9.731 6.370 1.00 0.00 O ATOM 1541 CB LYS B 51 3.018 -10.794 7.366 1.00 0.00 C ATOM 1542 CG LYS B 51 2.227 -11.804 8.174 1.00 0.00 C ATOM 1543 CD LYS B 51 2.350 -11.544 9.659 1.00 0.00 C ATOM 1544 CE LYS B 51 1.403 -10.443 10.117 1.00 0.00 C ATOM 1545 NZ LYS B 51 -0.029 -10.826 9.965 1.00 0.00 N ATOM 0 H LYS B 51 4.063 -9.362 5.479 1.00 0.00 H new ATOM 0 HA LYS B 51 1.904 -11.349 5.619 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.018 -11.187 7.183 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.136 -9.882 7.951 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.178 -11.763 7.882 1.00 0.00 H new ATOM 0 HG3 LYS B 51 2.582 -12.810 7.949 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.135 -12.461 10.208 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.376 -11.263 9.896 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.604 -10.206 11.162 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.597 -9.538 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.632 -10.081 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -0.251 -10.944 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.204 -11.721 10.465 1.00 0.00 H new ATOM 1559 N CYS B 52 1.695 -8.150 6.304 1.00 0.00 N ATOM 1560 CA CYS B 52 0.765 -7.063 6.527 1.00 0.00 C ATOM 1561 C CYS B 52 1.355 -5.743 6.055 1.00 0.00 C ATOM 1562 O CYS B 52 2.469 -5.696 5.529 1.00 0.00 O ATOM 1563 CB CYS B 52 0.374 -6.985 8.005 1.00 0.00 C ATOM 1564 SG CYS B 52 1.754 -7.068 9.166 1.00 0.00 S ATOM 0 H CYS B 52 2.667 -7.861 6.193 1.00 0.00 H new ATOM 0 HA CYS B 52 -0.135 -7.258 5.945 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -0.167 -6.054 8.173 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -0.316 -7.799 8.226 1.00 0.00 H new ATOM 0 HG CYS B 52 1.461 -6.393 10.238 1.00 0.00 H new ATOM 1570 N GLN B 53 0.605 -4.677 6.251 1.00 0.00 N ATOM 1571 CA GLN B 53 1.018 -3.353 5.836 1.00 0.00 C ATOM 1572 C GLN B 53 0.427 -2.332 6.770 1.00 0.00 C ATOM 1573 O GLN B 53 -0.736 -2.397 7.091 1.00 0.00 O ATOM 1574 CB GLN B 53 0.579 -3.067 4.393 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.930 -3.089 4.188 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.475 -4.491 3.997 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.468 -5.022 2.897 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -1.962 -5.097 5.069 1.00 0.00 N ATOM 0 H GLN B 53 -0.309 -4.705 6.703 1.00 0.00 H new ATOM 0 HA GLN B 53 2.106 -3.297 5.873 1.00 0.00 H new ATOM 0 HB2 GLN B 53 0.962 -2.091 4.095 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.036 -3.804 3.732 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.416 -2.629 5.048 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.183 -2.484 3.318 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.951 -4.623 5.972 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.348 -6.038 4.992 1.00 0.00 H new ATOM 1587 N LYS B 54 1.213 -1.398 7.227 1.00 0.00 N ATOM 1588 CA LYS B 54 0.694 -0.396 8.126 1.00 0.00 C ATOM 1589 C LYS B 54 0.695 0.951 7.423 1.00 0.00 C ATOM 1590 O LYS B 54 1.512 1.191 6.549 1.00 0.00 O ATOM 1591 CB LYS B 54 1.495 -0.370 9.419 1.00 0.00 C ATOM 1592 CG LYS B 54 1.863 -1.747 9.952 1.00 0.00 C ATOM 1593 CD LYS B 54 2.526 -1.663 11.318 1.00 0.00 C ATOM 1594 CE LYS B 54 2.729 -3.045 11.922 1.00 0.00 C ATOM 1595 NZ LYS B 54 2.786 -3.002 13.409 1.00 0.00 N ATOM 0 H LYS B 54 2.203 -1.306 6.998 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.333 -0.638 8.399 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.409 0.200 9.256 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.920 0.160 10.179 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.966 -2.362 10.020 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.536 -2.241 9.251 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.488 -1.159 11.227 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.912 -1.059 11.986 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.916 -3.700 11.609 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.652 -3.477 11.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.602 -3.952 13.791 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.729 -2.684 13.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.067 -2.340 13.765 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.217 1.823 7.796 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.345 3.117 7.135 1.00 0.00 C ATOM 1611 C ILE B 55 -0.168 4.285 8.108 1.00 0.00 C ATOM 1612 O ILE B 55 -0.831 4.346 9.126 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.734 3.186 6.482 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.810 3.040 7.561 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.869 2.078 5.448 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -4.035 2.288 7.129 1.00 0.00 C ATOM 0 H ILE B 55 -0.883 1.666 8.552 1.00 0.00 H new ATOM 0 HA ILE B 55 0.444 3.206 6.388 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.858 4.147 5.984 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.375 2.534 8.422 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.109 4.034 7.893 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.855 2.129 4.986 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.103 2.200 4.682 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.746 1.110 5.934 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.741 2.235 7.958 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.500 2.803 6.289 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.755 1.279 6.826 1.00 0.00 H new ATOM 1628 N SER B 56 0.719 5.223 7.802 1.00 0.00 N ATOM 1629 CA SER B 56 0.934 6.350 8.695 1.00 0.00 C ATOM 1630 C SER B 56 -0.219 7.329 8.553 1.00 0.00 C ATOM 1631 O SER B 56 -0.396 7.943 7.483 1.00 0.00 O ATOM 1632 CB SER B 56 2.286 7.034 8.443 1.00 0.00 C ATOM 1633 OG SER B 56 2.254 7.862 7.300 1.00 0.00 O ATOM 0 H SER B 56 1.291 5.226 6.958 1.00 0.00 H new ATOM 0 HA SER B 56 0.965 5.980 9.720 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.559 7.629 9.314 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.059 6.275 8.320 1.00 0.00 H new ATOM 0 HG SER B 56 1.388 8.318 7.251 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.013 7.446 9.637 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.205 8.304 9.717 1.00 0.00 C ATOM 1641 C PRO B 57 -1.903 9.792 9.649 1.00 0.00 C ATOM 1642 O PRO B 57 -0.745 10.216 9.762 1.00 0.00 O ATOM 1643 CB PRO B 57 -2.792 7.972 11.095 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.634 7.473 11.883 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.798 6.717 10.903 1.00 0.00 C ATOM 0 HA PRO B 57 -2.867 8.114 8.872 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.238 8.852 11.559 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.576 7.218 11.021 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.074 8.296 12.327 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -1.960 6.831 12.701 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.253 6.713 11.191 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.112 5.676 10.826 1.00 0.00 H new ATOM 1653 N GLU B 58 -2.967 10.567 9.463 1.00 0.00 N ATOM 1654 CA GLU B 58 -2.883 12.016 9.397 1.00 0.00 C ATOM 1655 C GLU B 58 -2.305 12.571 10.694 1.00 0.00 C ATOM 1656 O GLU B 58 -2.381 11.930 11.747 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.266 12.616 9.132 1.00 0.00 C ATOM 1658 CG GLU B 58 -4.324 13.483 7.884 1.00 0.00 C ATOM 1659 CD GLU B 58 -3.485 14.739 8.009 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -2.244 14.618 8.094 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -4.067 15.840 8.036 1.00 0.00 O ATOM 0 H GLU B 58 -3.914 10.203 9.354 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.221 12.290 8.575 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.991 11.808 9.037 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.565 13.213 9.993 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -3.980 12.904 7.027 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.359 13.760 7.686 1.00 0.00 H new ATOM 1668 N GLY B 59 -1.729 13.751 10.612 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.114 14.362 11.771 1.00 0.00 C ATOM 1670 C GLY B 59 0.378 14.450 11.579 1.00 0.00 C ATOM 1671 O GLY B 59 1.080 15.156 12.303 1.00 0.00 O ATOM 0 H GLY B 59 -1.674 14.305 9.758 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.528 15.358 11.929 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.340 13.778 12.663 1.00 0.00 H new ATOM 1675 N LYS B 60 0.857 13.704 10.597 1.00 0.00 N ATOM 1676 CA LYS B 60 2.261 13.692 10.252 1.00 0.00 C ATOM 1677 C LYS B 60 2.463 14.585 9.041 1.00 0.00 C ATOM 1678 O LYS B 60 1.499 14.998 8.407 1.00 0.00 O ATOM 1679 CB LYS B 60 2.739 12.268 9.940 1.00 0.00 C ATOM 1680 CG LYS B 60 2.679 11.317 11.126 1.00 0.00 C ATOM 1681 CD LYS B 60 3.187 9.929 10.750 1.00 0.00 C ATOM 1682 CE LYS B 60 2.887 8.903 11.835 1.00 0.00 C ATOM 1683 NZ LYS B 60 1.468 8.975 12.278 1.00 0.00 N ATOM 0 H LYS B 60 0.281 13.092 10.020 1.00 0.00 H new ATOM 0 HA LYS B 60 2.844 14.059 11.096 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.131 11.862 9.131 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.765 12.313 9.576 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.277 11.716 11.945 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.653 11.246 11.486 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.725 9.614 9.814 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.262 9.970 10.576 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.102 7.902 11.460 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.544 9.071 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 1.429 9.293 13.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 0.951 9.648 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 1.032 8.034 12.199 1.00 0.00 H new ATOM 1697 N ALA B 61 3.707 14.872 8.710 1.00 0.00 N ATOM 1698 CA ALA B 61 4.003 15.718 7.564 1.00 0.00 C ATOM 1699 C ALA B 61 3.852 14.944 6.262 1.00 0.00 C ATOM 1700 O ALA B 61 3.988 15.507 5.177 1.00 0.00 O ATOM 1701 CB ALA B 61 5.403 16.300 7.682 1.00 0.00 C ATOM 0 H ALA B 61 4.527 14.535 9.214 1.00 0.00 H new ATOM 0 HA ALA B 61 3.286 16.539 7.552 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.609 16.930 6.817 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.473 16.897 8.591 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.131 15.490 7.723 1.00 0.00 H new ATOM 1707 N LYS B 62 3.581 13.652 6.375 1.00 0.00 N ATOM 1708 CA LYS B 62 3.435 12.811 5.203 1.00 0.00 C ATOM 1709 C LYS B 62 2.588 11.570 5.494 1.00 0.00 C ATOM 1710 O LYS B 62 2.750 10.914 6.527 1.00 0.00 O ATOM 1711 CB LYS B 62 4.822 12.405 4.695 1.00 0.00 C ATOM 1712 CG LYS B 62 5.787 12.006 5.802 1.00 0.00 C ATOM 1713 CD LYS B 62 7.208 11.831 5.285 1.00 0.00 C ATOM 1714 CE LYS B 62 7.940 13.161 5.162 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.415 12.974 5.102 1.00 0.00 N ATOM 0 H LYS B 62 3.459 13.167 7.264 1.00 0.00 H new ATOM 0 HA LYS B 62 2.914 13.382 4.435 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.715 11.572 4.001 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.251 13.235 4.133 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.777 12.766 6.583 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.450 11.075 6.258 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.760 11.175 5.958 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.182 11.341 4.312 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.602 13.681 4.265 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.688 13.795 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.879 13.901 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.740 12.501 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.658 12.390 4.277 1.00 0.00 H new ATOM 1729 N ILE B 63 1.667 11.282 4.581 1.00 0.00 N ATOM 1730 CA ILE B 63 0.799 10.113 4.677 1.00 0.00 C ATOM 1731 C ILE B 63 1.527 8.957 4.002 1.00 0.00 C ATOM 1732 O ILE B 63 1.934 9.081 2.847 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.566 10.375 3.997 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.231 11.626 4.585 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.483 9.179 4.152 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -0.921 12.903 3.828 1.00 0.00 C ATOM 0 H ILE B 63 1.501 11.853 3.752 1.00 0.00 H new ATOM 0 HA ILE B 63 0.589 9.880 5.721 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.386 10.539 2.935 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.311 11.478 4.600 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -0.911 11.743 5.620 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.437 9.386 3.666 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -1.023 8.305 3.690 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.650 8.984 5.211 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.428 13.741 4.306 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.155 13.078 3.835 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.267 12.809 2.799 1.00 0.00 H new ATOM 1748 N GLN B 64 1.701 7.832 4.693 1.00 0.00 N ATOM 1749 CA GLN B 64 2.505 6.744 4.117 1.00 0.00 C ATOM 1750 C GLN B 64 1.982 5.335 4.392 1.00 0.00 C ATOM 1751 O GLN B 64 1.033 5.135 5.146 1.00 0.00 O ATOM 1752 CB GLN B 64 3.928 6.820 4.653 1.00 0.00 C ATOM 1753 CG GLN B 64 4.504 8.215 4.739 1.00 0.00 C ATOM 1754 CD GLN B 64 5.569 8.307 5.801 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.731 8.019 5.547 1.00 0.00 O ATOM 1756 NE2 GLN B 64 5.173 8.691 7.003 1.00 0.00 N ATOM 0 H GLN B 64 1.314 7.648 5.619 1.00 0.00 H new ATOM 0 HA GLN B 64 2.452 6.898 3.039 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.951 6.372 5.646 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.573 6.215 4.016 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.926 8.496 3.774 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.707 8.926 4.958 1.00 0.00 H new ATOM 0 HE21 GLN B 64 4.193 8.921 7.168 1.00 0.00 H new ATOM 0 HE22 GLN B 64 5.848 8.757 7.765 1.00 0.00 H new ATOM 1765 N LEU B 65 2.629 4.371 3.728 1.00 0.00 N ATOM 1766 CA LEU B 65 2.335 2.948 3.854 1.00 0.00 C ATOM 1767 C LEU B 65 3.626 2.152 4.120 1.00 0.00 C ATOM 1768 O LEU B 65 4.557 2.205 3.320 1.00 0.00 O ATOM 1769 CB LEU B 65 1.729 2.451 2.552 1.00 0.00 C ATOM 1770 CG LEU B 65 1.368 0.968 2.529 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.061 0.747 2.986 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.594 0.388 1.144 1.00 0.00 C ATOM 0 H LEU B 65 3.387 4.568 3.075 1.00 0.00 H new ATOM 0 HA LEU B 65 1.644 2.806 4.685 1.00 0.00 H new ATOM 0 HB2 LEU B 65 0.830 3.031 2.343 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.432 2.650 1.743 1.00 0.00 H new ATOM 0 HG LEU B 65 2.022 0.447 3.228 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.291 -0.318 2.960 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.179 1.119 4.004 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.742 1.282 2.323 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.332 -0.670 1.145 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.970 0.916 0.422 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.643 0.502 0.869 1.00 0.00 H new ATOM 1784 N GLN B 66 3.702 1.442 5.245 1.00 0.00 N ATOM 1785 CA GLN B 66 4.875 0.627 5.538 1.00 0.00 C ATOM 1786 C GLN B 66 4.531 -0.848 5.319 1.00 0.00 C ATOM 1787 O GLN B 66 3.483 -1.323 5.756 1.00 0.00 O ATOM 1788 CB GLN B 66 5.400 0.855 6.965 1.00 0.00 C ATOM 1789 CG GLN B 66 4.817 -0.067 8.028 1.00 0.00 C ATOM 1790 CD GLN B 66 5.637 -0.074 9.307 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.122 -0.359 10.386 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.915 0.249 9.199 1.00 0.00 N ATOM 0 H GLN B 66 2.974 1.416 5.959 1.00 0.00 H new ATOM 0 HA GLN B 66 5.674 0.925 4.859 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.483 0.736 6.959 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.194 1.887 7.250 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.798 0.245 8.256 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.759 -1.081 7.632 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.307 0.480 8.286 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.508 0.267 10.029 1.00 0.00 H new ATOM 1801 N LEU B 67 5.393 -1.559 4.617 1.00 0.00 N ATOM 1802 CA LEU B 67 5.175 -2.972 4.345 1.00 0.00 C ATOM 1803 C LEU B 67 5.854 -3.822 5.404 1.00 0.00 C ATOM 1804 O LEU B 67 7.028 -3.632 5.692 1.00 0.00 O ATOM 1805 CB LEU B 67 5.724 -3.350 2.966 1.00 0.00 C ATOM 1806 CG LEU B 67 4.993 -2.737 1.770 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.632 -3.202 0.471 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.517 -3.102 1.800 1.00 0.00 C ATOM 0 H LEU B 67 6.255 -1.182 4.222 1.00 0.00 H new ATOM 0 HA LEU B 67 4.101 -3.157 4.363 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.772 -3.054 2.919 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.695 -4.435 2.869 1.00 0.00 H new ATOM 0 HG LEU B 67 5.076 -1.652 1.831 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.103 -2.759 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.677 -2.892 0.448 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.575 -4.289 0.406 1.00 0.00 H new ATOM 0 HD21 LEU B 67 3.015 -2.657 0.941 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.409 -4.186 1.761 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.068 -2.725 2.719 1.00 0.00 H new ATOM 1820 N VAL B 68 5.109 -4.739 5.993 1.00 0.00 N ATOM 1821 CA VAL B 68 5.651 -5.627 7.008 1.00 0.00 C ATOM 1822 C VAL B 68 5.703 -7.045 6.464 1.00 0.00 C ATOM 1823 O VAL B 68 4.672 -7.704 6.303 1.00 0.00 O ATOM 1824 CB VAL B 68 4.807 -5.607 8.302 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.409 -6.530 9.353 1.00 0.00 C ATOM 1826 CG2 VAL B 68 4.677 -4.191 8.841 1.00 0.00 C ATOM 0 H VAL B 68 4.122 -4.890 5.785 1.00 0.00 H new ATOM 0 HA VAL B 68 6.653 -5.277 7.256 1.00 0.00 H new ATOM 0 HB VAL B 68 3.808 -5.971 8.060 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.799 -6.500 10.256 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.438 -7.549 8.968 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.421 -6.202 9.589 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.079 -4.202 9.752 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.668 -3.793 9.062 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.191 -3.561 8.096 1.00 0.00 H new ATOM 1836 N LEU B 69 6.899 -7.511 6.163 1.00 0.00 N ATOM 1837 CA LEU B 69 7.066 -8.846 5.623 1.00 0.00 C ATOM 1838 C LEU B 69 7.155 -9.852 6.759 1.00 0.00 C ATOM 1839 O LEU B 69 7.755 -9.567 7.795 1.00 0.00 O ATOM 1840 CB LEU B 69 8.310 -8.933 4.738 1.00 0.00 C ATOM 1841 CG LEU B 69 8.437 -7.835 3.679 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.284 -8.303 2.516 1.00 0.00 C ATOM 1843 CD2 LEU B 69 7.087 -7.387 3.165 1.00 0.00 C ATOM 0 H LEU B 69 7.766 -6.988 6.282 1.00 0.00 H new ATOM 0 HA LEU B 69 6.200 -9.077 5.004 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.193 -8.903 5.377 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.312 -9.901 4.236 1.00 0.00 H new ATOM 0 HG LEU B 69 8.920 -6.986 4.163 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.360 -7.506 1.777 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.281 -8.562 2.873 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.823 -9.179 2.059 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.223 -6.607 2.416 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.569 -8.235 2.716 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.494 -6.996 3.992 1.00 0.00 H new ATOM 1855 N HIS B 70 6.588 -11.038 6.562 1.00 0.00 N ATOM 1856 CA HIS B 70 6.608 -12.065 7.604 1.00 0.00 C ATOM 1857 C HIS B 70 7.991 -12.688 7.738 1.00 0.00 C ATOM 1858 O HIS B 70 8.188 -13.637 8.500 1.00 0.00 O ATOM 1859 CB HIS B 70 5.550 -13.149 7.359 1.00 0.00 C ATOM 1860 CG HIS B 70 5.343 -13.518 5.925 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.197 -13.239 5.222 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.155 -14.173 5.062 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.351 -13.723 3.988 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.517 -14.308 3.851 1.00 0.00 N ATOM 0 H HIS B 70 6.114 -11.312 5.702 1.00 0.00 H new ATOM 0 HA HIS B 70 6.362 -11.569 8.543 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.835 -14.045 7.911 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.600 -12.808 7.772 1.00 0.00 H new ATOM 0 HD1 HIS B 70 3.376 -12.750 5.579 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.148 -14.533 5.289 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.612 -13.643 3.204 1.00 0.00 H new ATOM 1872 N ALA B 71 8.937 -12.156 6.980 1.00 0.00 N ATOM 1873 CA ALA B 71 10.313 -12.611 7.033 1.00 0.00 C ATOM 1874 C ALA B 71 11.081 -11.766 8.042 1.00 0.00 C ATOM 1875 O ALA B 71 12.211 -12.080 8.411 1.00 0.00 O ATOM 1876 CB ALA B 71 10.956 -12.524 5.657 1.00 0.00 C ATOM 0 H ALA B 71 8.772 -11.401 6.315 1.00 0.00 H new ATOM 0 HA ALA B 71 10.338 -13.654 7.347 1.00 0.00 H new ATOM 0 HB1 ALA B 71 11.988 -12.869 5.715 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.403 -13.150 4.957 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.938 -11.490 5.312 1.00 0.00 H new ATOM 1882 N GLY B 72 10.438 -10.691 8.494 1.00 0.00 N ATOM 1883 CA GLY B 72 11.052 -9.801 9.458 1.00 0.00 C ATOM 1884 C GLY B 72 11.635 -8.562 8.817 1.00 0.00 C ATOM 1885 O GLY B 72 12.613 -8.009 9.310 1.00 0.00 O ATOM 0 H GLY B 72 9.497 -10.422 8.206 1.00 0.00 H new ATOM 0 HA2 GLY B 72 10.309 -9.507 10.200 1.00 0.00 H new ATOM 0 HA3 GLY B 72 11.839 -10.335 9.990 1.00 0.00 H new ATOM 1889 N ASP B 73 11.025 -8.125 7.726 1.00 0.00 N ATOM 1890 CA ASP B 73 11.488 -6.943 7.008 1.00 0.00 C ATOM 1891 C ASP B 73 10.358 -5.927 6.887 1.00 0.00 C ATOM 1892 O ASP B 73 9.185 -6.300 6.899 1.00 0.00 O ATOM 1893 CB ASP B 73 11.998 -7.332 5.617 1.00 0.00 C ATOM 1894 CG ASP B 73 12.470 -6.133 4.821 1.00 0.00 C ATOM 1895 OD1 ASP B 73 13.436 -5.476 5.262 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.870 -5.843 3.768 1.00 0.00 O ATOM 0 H ASP B 73 10.205 -8.572 7.316 1.00 0.00 H new ATOM 0 HA ASP B 73 12.308 -6.493 7.568 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.818 -8.043 5.719 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.203 -7.838 5.070 1.00 0.00 H new ATOM 1901 N THR B 74 10.707 -4.654 6.783 1.00 0.00 N ATOM 1902 CA THR B 74 9.717 -3.597 6.664 1.00 0.00 C ATOM 1903 C THR B 74 10.140 -2.566 5.619 1.00 0.00 C ATOM 1904 O THR B 74 11.272 -2.085 5.634 1.00 0.00 O ATOM 1905 CB THR B 74 9.485 -2.886 8.011 1.00 0.00 C ATOM 1906 OG1 THR B 74 10.738 -2.681 8.679 1.00 0.00 O ATOM 1907 CG2 THR B 74 8.554 -3.692 8.906 1.00 0.00 C ATOM 0 H THR B 74 11.673 -4.328 6.779 1.00 0.00 H new ATOM 0 HA THR B 74 8.786 -4.069 6.350 1.00 0.00 H new ATOM 0 HB THR B 74 9.017 -1.923 7.807 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.583 -2.227 9.534 1.00 0.00 H new ATOM 0 HG21 THR B 74 8.409 -3.165 9.849 1.00 0.00 H new ATOM 0 HG22 THR B 74 7.592 -3.819 8.410 1.00 0.00 H new ATOM 0 HG23 THR B 74 8.993 -4.670 9.101 1.00 0.00 H new ATOM 1915 N THR B 75 9.223 -2.225 4.725 1.00 0.00 N ATOM 1916 CA THR B 75 9.498 -1.254 3.674 1.00 0.00 C ATOM 1917 C THR B 75 8.662 0.013 3.871 1.00 0.00 C ATOM 1918 O THR B 75 7.438 -0.046 3.915 1.00 0.00 O ATOM 1919 CB THR B 75 9.192 -1.856 2.293 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.399 -3.276 2.325 1.00 0.00 O ATOM 1921 CG2 THR B 75 10.077 -1.235 1.224 1.00 0.00 C ATOM 0 H THR B 75 8.278 -2.608 4.706 1.00 0.00 H new ATOM 0 HA THR B 75 10.555 -0.993 3.729 1.00 0.00 H new ATOM 0 HB THR B 75 8.151 -1.643 2.048 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.052 -3.676 1.500 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.842 -1.677 0.256 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.901 -0.160 1.185 1.00 0.00 H new ATOM 0 HG23 THR B 75 11.124 -1.422 1.464 1.00 0.00 H new ATOM 1929 N ASN B 76 9.324 1.154 3.994 1.00 0.00 N ATOM 1930 CA ASN B 76 8.632 2.428 4.197 1.00 0.00 C ATOM 1931 C ASN B 76 8.350 3.123 2.868 1.00 0.00 C ATOM 1932 O ASN B 76 9.274 3.420 2.112 1.00 0.00 O ATOM 1933 CB ASN B 76 9.476 3.351 5.079 1.00 0.00 C ATOM 1934 CG ASN B 76 9.658 2.809 6.480 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.843 3.282 7.406 1.00 0.00 O flip ATOM 1936 ND2 ASN B 76 10.529 1.978 6.727 1.00 0.00 N flip ATOM 0 H ASN B 76 10.341 1.229 3.957 1.00 0.00 H new ATOM 0 HA ASN B 76 7.682 2.215 4.687 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.454 3.494 4.619 1.00 0.00 H new ATOM 0 HB3 ASN B 76 9.002 4.331 5.131 1.00 0.00 H new ATOM 0 HD21 ASN B 76 11.137 1.639 5.981 1.00 0.00 H new ATOM 0 HD22 ASN B 76 10.644 1.627 7.678 1.00 0.00 H new ATOM 1943 N PHE B 77 7.075 3.373 2.583 1.00 0.00 N ATOM 1944 CA PHE B 77 6.681 4.050 1.352 1.00 0.00 C ATOM 1945 C PHE B 77 5.898 5.324 1.661 1.00 0.00 C ATOM 1946 O PHE B 77 4.736 5.269 2.070 1.00 0.00 O ATOM 1947 CB PHE B 77 5.844 3.122 0.466 1.00 0.00 C ATOM 1948 CG PHE B 77 6.658 2.109 -0.288 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.841 2.477 -0.910 1.00 0.00 C ATOM 1950 CD2 PHE B 77 6.238 0.792 -0.380 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.590 1.550 -1.607 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.984 -0.139 -1.076 1.00 0.00 C ATOM 1953 CZ PHE B 77 8.161 0.240 -1.690 1.00 0.00 C ATOM 0 H PHE B 77 6.296 3.116 3.189 1.00 0.00 H new ATOM 0 HA PHE B 77 7.589 4.321 0.814 1.00 0.00 H new ATOM 0 HB2 PHE B 77 5.116 2.600 1.087 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.281 3.725 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.181 3.500 -0.849 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.318 0.490 0.098 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.510 1.849 -2.087 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.647 -1.163 -1.140 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.745 -0.487 -2.234 1.00 0.00 H new ATOM 1963 N HIS B 78 6.548 6.463 1.468 1.00 0.00 N ATOM 1964 CA HIS B 78 5.949 7.766 1.719 1.00 0.00 C ATOM 1965 C HIS B 78 5.217 8.268 0.474 1.00 0.00 C ATOM 1966 O HIS B 78 5.803 8.382 -0.601 1.00 0.00 O ATOM 1967 CB HIS B 78 7.072 8.728 2.162 1.00 0.00 C ATOM 1968 CG HIS B 78 6.836 10.202 1.953 1.00 0.00 C ATOM 1969 ND1 HIS B 78 5.691 10.921 1.821 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 7.863 11.116 1.847 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 6.010 12.262 1.631 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 7.326 12.325 1.655 1.00 0.00 N flip ATOM 0 H HIS B 78 7.510 6.509 1.131 1.00 0.00 H new ATOM 0 HA HIS B 78 5.202 7.702 2.510 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.260 8.563 3.223 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.983 8.453 1.630 1.00 0.00 H new ATOM 0 HD2 HIS B 78 8.918 10.894 1.908 1.00 0.00 H new ATOM 0 HE1 HIS B 78 5.321 13.082 1.492 1.00 0.00 H new ATOM 0 HE2 HIS B 78 7.864 13.184 1.542 1.00 0.00 H new ATOM 1980 N PHE B 79 3.933 8.558 0.627 1.00 0.00 N ATOM 1981 CA PHE B 79 3.126 9.057 -0.477 1.00 0.00 C ATOM 1982 C PHE B 79 3.275 10.569 -0.582 1.00 0.00 C ATOM 1983 O PHE B 79 2.564 11.325 0.077 1.00 0.00 O ATOM 1984 CB PHE B 79 1.653 8.685 -0.287 1.00 0.00 C ATOM 1985 CG PHE B 79 1.371 7.219 -0.460 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.677 6.317 0.544 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.795 6.747 -1.627 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.417 4.970 0.386 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.533 5.400 -1.789 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.844 4.511 -0.782 1.00 0.00 C ATOM 0 H PHE B 79 3.427 8.456 1.507 1.00 0.00 H new ATOM 0 HA PHE B 79 3.477 8.595 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.336 8.991 0.710 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.051 9.248 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.124 6.671 1.461 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.548 7.439 -2.419 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.662 4.276 1.176 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.085 5.043 -2.705 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.640 3.458 -0.907 1.00 0.00 H new ATOM 2000 N SER B 80 4.215 11.002 -1.406 1.00 0.00 N ATOM 2001 CA SER B 80 4.482 12.420 -1.594 1.00 0.00 C ATOM 2002 C SER B 80 3.642 13.000 -2.729 1.00 0.00 C ATOM 2003 O SER B 80 3.885 14.113 -3.190 1.00 0.00 O ATOM 2004 CB SER B 80 5.969 12.626 -1.881 1.00 0.00 C ATOM 2005 OG SER B 80 6.489 11.552 -2.650 1.00 0.00 O ATOM 0 H SER B 80 4.811 10.387 -1.960 1.00 0.00 H new ATOM 0 HA SER B 80 4.209 12.945 -0.678 1.00 0.00 H new ATOM 0 HB2 SER B 80 6.114 13.565 -2.415 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.517 12.706 -0.942 1.00 0.00 H new ATOM 0 HG SER B 80 5.784 11.193 -3.229 1.00 0.00 H new ATOM 2011 N ASN B 81 2.654 12.241 -3.176 1.00 0.00 N ATOM 2012 CA ASN B 81 1.789 12.689 -4.251 1.00 0.00 C ATOM 2013 C ASN B 81 0.673 13.547 -3.682 1.00 0.00 C ATOM 2014 O ASN B 81 -0.375 13.040 -3.308 1.00 0.00 O ATOM 2015 CB ASN B 81 1.203 11.490 -5.003 1.00 0.00 C ATOM 2016 CG ASN B 81 0.525 11.889 -6.300 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.889 12.884 -6.925 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.459 11.114 -6.718 1.00 0.00 N ATOM 0 H ASN B 81 2.433 11.315 -2.811 1.00 0.00 H new ATOM 0 HA ASN B 81 2.375 13.281 -4.954 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.999 10.777 -5.218 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.483 10.981 -4.363 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -0.946 11.332 -7.587 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -0.732 10.297 -6.172 1.00 0.00 H new ATOM 2025 N GLU B 82 0.909 14.848 -3.628 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.062 15.805 -3.090 1.00 0.00 C ATOM 2027 C GLU B 82 -1.461 15.583 -3.666 1.00 0.00 C ATOM 2028 O GLU B 82 -2.467 15.724 -2.966 1.00 0.00 O ATOM 2029 CB GLU B 82 0.379 17.249 -3.380 1.00 0.00 C ATOM 2030 CG GLU B 82 1.697 17.377 -4.142 1.00 0.00 C ATOM 2031 CD GLU B 82 1.620 16.889 -5.582 1.00 0.00 C ATOM 2032 OE1 GLU B 82 0.501 16.702 -6.105 1.00 0.00 O ATOM 2033 OE2 GLU B 82 2.683 16.661 -6.190 1.00 0.00 O ATOM 0 H GLU B 82 1.776 15.276 -3.954 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.102 15.642 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.405 17.745 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.469 17.783 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU B 82 2.009 18.421 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU B 82 2.467 16.812 -3.617 1.00 0.00 H new ATOM 2040 N SER B 83 -1.500 15.223 -4.937 1.00 0.00 N ATOM 2041 CA SER B 83 -2.742 14.989 -5.649 1.00 0.00 C ATOM 2042 C SER B 83 -3.636 13.942 -4.966 1.00 0.00 C ATOM 2043 O SER B 83 -4.768 14.247 -4.569 1.00 0.00 O ATOM 2044 CB SER B 83 -2.422 14.555 -7.080 1.00 0.00 C ATOM 2045 OG SER B 83 -1.201 15.131 -7.530 1.00 0.00 O ATOM 0 H SER B 83 -0.665 15.084 -5.507 1.00 0.00 H new ATOM 0 HA SER B 83 -3.304 15.923 -5.648 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.354 13.468 -7.127 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.234 14.852 -7.744 1.00 0.00 H new ATOM 0 HG SER B 83 -0.462 14.512 -7.353 1.00 0.00 H new ATOM 2051 N THR B 84 -3.147 12.715 -4.812 1.00 0.00 N ATOM 2052 CA THR B 84 -3.964 11.661 -4.220 1.00 0.00 C ATOM 2053 C THR B 84 -3.242 10.824 -3.158 1.00 0.00 C ATOM 2054 O THR B 84 -3.655 9.702 -2.904 1.00 0.00 O ATOM 2055 CB THR B 84 -4.483 10.723 -5.326 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.544 10.690 -6.405 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.838 11.183 -5.844 1.00 0.00 C ATOM 0 H THR B 84 -2.206 12.429 -5.083 1.00 0.00 H new ATOM 0 HA THR B 84 -4.782 12.171 -3.712 1.00 0.00 H new ATOM 0 HB THR B 84 -4.599 9.725 -4.903 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.697 10.311 -6.090 1.00 0.00 H new ATOM 0 HG21 THR B 84 -6.180 10.502 -6.624 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.558 11.188 -5.026 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.748 12.189 -6.254 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.217 11.380 -2.511 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.437 10.660 -1.488 1.00 0.00 C ATOM 2067 C ALA B 85 -2.307 9.843 -0.533 1.00 0.00 C ATOM 2068 O ALA B 85 -2.184 8.621 -0.453 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.595 11.638 -0.684 1.00 0.00 C ATOM 0 H ALA B 85 -1.901 12.336 -2.675 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.799 9.960 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.024 11.094 0.068 1.00 0.00 H new ATOM 0 HB2 ALA B 85 0.090 12.162 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.247 12.360 -0.192 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.183 10.530 0.187 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.068 9.884 1.152 1.00 0.00 C ATOM 2077 C VAL B 86 -4.965 8.845 0.483 1.00 0.00 C ATOM 2078 O VAL B 86 -5.102 7.720 0.964 1.00 0.00 O ATOM 2079 CB VAL B 86 -4.966 10.918 1.862 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.601 10.312 3.100 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.180 12.171 2.217 1.00 0.00 C ATOM 0 H VAL B 86 -3.302 11.541 0.122 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.425 9.391 1.881 1.00 0.00 H new ATOM 0 HB VAL B 86 -5.761 11.205 1.174 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.231 11.056 3.587 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.209 9.454 2.814 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.820 9.990 3.789 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -4.837 12.883 2.716 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.357 11.908 2.882 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -3.782 12.621 1.307 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.543 9.229 -0.644 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.456 8.366 -1.382 1.00 0.00 C ATOM 2093 C LYS B 87 -5.752 7.113 -1.904 1.00 0.00 C ATOM 2094 O LYS B 87 -6.266 6.002 -1.770 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.087 9.147 -2.540 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.741 10.458 -2.114 1.00 0.00 C ATOM 2097 CD LYS B 87 -6.841 11.656 -2.393 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.636 12.952 -2.473 1.00 0.00 C ATOM 2099 NZ LYS B 87 -6.765 14.131 -2.763 1.00 0.00 N ATOM 0 H LYS B 87 -5.395 10.143 -1.073 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.239 8.039 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.319 9.360 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.835 8.519 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.686 10.582 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.975 10.419 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.090 11.738 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.306 11.499 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.395 12.863 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.161 13.113 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.359 14.966 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.147 14.315 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.182 13.934 -3.602 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.574 7.295 -2.490 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.800 6.184 -3.025 1.00 0.00 C ATOM 2115 C GLU B 88 -3.389 5.241 -1.902 1.00 0.00 C ATOM 2116 O GLU B 88 -3.450 4.024 -2.054 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.560 6.696 -3.768 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.856 7.226 -5.164 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.743 8.101 -5.716 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.618 9.259 -5.263 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.003 7.648 -6.614 1.00 0.00 O ATOM 0 H GLU B 88 -4.133 8.207 -2.606 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.424 5.639 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.096 7.488 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.833 5.887 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.018 6.385 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.783 7.799 -5.140 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.007 5.816 -0.765 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.583 5.036 0.396 1.00 0.00 C ATOM 2130 C ARG B 89 -3.639 4.016 0.803 1.00 0.00 C ATOM 2131 O ARG B 89 -3.337 2.838 0.991 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.294 5.951 1.589 1.00 0.00 C ATOM 2133 CG ARG B 89 -1.971 5.189 2.867 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.276 6.008 4.111 1.00 0.00 C ATOM 2135 NE ARG B 89 -3.690 5.948 4.494 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.118 5.942 5.759 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -3.255 6.084 6.758 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -5.410 5.822 6.022 1.00 0.00 N ATOM 0 H ARG B 89 -2.982 6.826 -0.622 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.674 4.508 0.108 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.457 6.605 1.343 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.158 6.592 1.765 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -2.546 4.263 2.892 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.917 4.910 2.866 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -1.664 5.647 4.938 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -1.995 7.046 3.936 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.388 5.909 3.751 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.261 6.198 6.561 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.586 6.079 7.723 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -6.080 5.734 5.258 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.735 5.818 6.989 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.878 4.470 0.935 1.00 0.00 N ATOM 2153 CA ASP B 90 -5.965 3.596 1.352 1.00 0.00 C ATOM 2154 C ASP B 90 -6.356 2.593 0.280 1.00 0.00 C ATOM 2155 O ASP B 90 -6.749 1.472 0.601 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.179 4.408 1.791 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.130 4.712 3.270 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.619 3.879 4.063 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -6.570 5.758 3.648 1.00 0.00 O ATOM 0 H ASP B 90 -5.155 5.436 0.760 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.594 3.025 2.203 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.219 5.340 1.227 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.091 3.857 1.561 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.214 2.968 -0.985 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.565 2.068 -2.072 1.00 0.00 C ATOM 2166 C ALA B 91 -5.533 0.965 -2.140 1.00 0.00 C ATOM 2167 O ALA B 91 -5.856 -0.207 -2.340 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.650 2.813 -3.393 1.00 0.00 C ATOM 0 H ALA B 91 -5.862 3.879 -1.280 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.548 1.638 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.914 2.115 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.412 3.590 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.686 3.269 -3.616 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.283 1.361 -1.956 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.177 0.431 -1.941 1.00 0.00 C ATOM 2176 C VAL B 92 -3.325 -0.489 -0.740 1.00 0.00 C ATOM 2177 O VAL B 92 -3.155 -1.699 -0.843 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.831 1.182 -1.871 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.690 0.240 -1.553 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.561 1.908 -3.173 1.00 0.00 C ATOM 0 H VAL B 92 -4.013 2.334 -1.814 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.188 -0.154 -2.861 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.900 1.913 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.244 0.801 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.870 -0.238 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.621 -0.523 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.608 2.432 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.522 1.188 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.358 2.627 -3.361 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.671 0.118 0.392 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.881 -0.595 1.645 1.00 0.00 C ATOM 2192 C LYS B 93 -4.863 -1.741 1.454 1.00 0.00 C ATOM 2193 O LYS B 93 -4.549 -2.903 1.719 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.435 0.382 2.689 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.684 -0.235 4.054 1.00 0.00 C ATOM 2196 CD LYS B 93 -6.145 -0.631 4.258 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.996 0.543 4.718 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.594 1.287 3.576 1.00 0.00 N ATOM 0 H LYS B 93 -3.814 1.125 0.464 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.929 -1.007 1.981 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.736 1.211 2.800 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.370 0.801 2.317 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.052 -1.115 4.172 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.391 0.474 4.829 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.547 -1.026 3.325 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.204 -1.432 4.995 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.791 0.180 5.369 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.384 1.222 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.992 2.185 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.860 1.481 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.349 0.715 3.146 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.050 -1.384 0.995 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.125 -2.340 0.759 1.00 0.00 C ATOM 2214 C ASP B 94 -6.718 -3.426 -0.225 1.00 0.00 C ATOM 2215 O ASP B 94 -6.841 -4.613 0.072 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.372 -1.614 0.246 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.297 -1.182 1.363 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.999 -0.164 2.024 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.319 -1.856 1.581 1.00 0.00 O ATOM 0 H ASP B 94 -6.299 -0.420 0.774 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.346 -2.823 1.711 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.068 -0.738 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.914 -2.269 -0.436 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.229 -3.019 -1.392 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.816 -3.973 -2.415 1.00 0.00 C ATOM 2226 C LEU B 95 -4.743 -4.913 -1.877 1.00 0.00 C ATOM 2227 O LEU B 95 -4.819 -6.129 -2.061 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.299 -3.243 -3.657 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.249 -4.091 -4.932 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.645 -4.551 -5.320 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.610 -3.310 -6.069 1.00 0.00 C ATOM 0 H LEU B 95 -6.109 -2.040 -1.652 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.688 -4.564 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.933 -2.375 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.297 -2.868 -3.449 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.638 -4.972 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.591 -5.152 -6.228 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.068 -5.149 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.278 -3.682 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.584 -3.929 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.194 -2.411 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.594 -3.029 -5.792 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.764 -4.345 -1.187 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.672 -5.120 -0.620 1.00 0.00 C ATOM 2245 C LEU B 96 -3.166 -6.122 0.412 1.00 0.00 C ATOM 2246 O LEU B 96 -2.909 -7.317 0.284 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.631 -4.204 0.022 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.501 -3.751 -0.898 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.378 -2.737 -0.190 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.327 -4.943 -1.345 1.00 0.00 C ATOM 0 H LEU B 96 -3.705 -3.343 -1.006 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.214 -5.670 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.139 -3.320 0.408 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.195 -4.721 0.877 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.938 -3.281 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.180 -2.422 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.220 -1.871 0.092 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.807 -3.189 0.705 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.129 -4.604 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.756 -5.436 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.309 -5.646 -1.883 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.903 -5.650 1.415 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.380 -6.536 2.468 1.00 0.00 C ATOM 2264 C GLN B 97 -5.353 -7.577 1.938 1.00 0.00 C ATOM 2265 O GLN B 97 -5.476 -8.644 2.517 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.969 -5.760 3.660 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.346 -5.156 3.460 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.946 -4.663 4.771 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.526 -5.254 5.895 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.761 -3.746 4.785 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.178 -4.673 1.519 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.508 -7.073 2.841 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.012 -6.432 4.517 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.279 -4.957 3.919 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.280 -4.326 2.756 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.007 -5.899 3.015 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.061 -3.317 3.910 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.139 -3.413 5.672 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.015 -7.289 0.830 1.00 0.00 N ATOM 2280 CA GLN B 98 -6.950 -8.241 0.245 1.00 0.00 C ATOM 2281 C GLN B 98 -6.214 -9.328 -0.536 1.00 0.00 C ATOM 2282 O GLN B 98 -6.646 -10.480 -0.580 1.00 0.00 O ATOM 2283 CB GLN B 98 -7.946 -7.527 -0.670 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.202 -7.072 0.047 1.00 0.00 C ATOM 2285 CD GLN B 98 -10.008 -6.068 -0.752 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.798 -6.437 -1.618 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -9.824 -4.792 -0.454 1.00 0.00 N ATOM 0 H GLN B 98 -5.925 -6.411 0.319 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.495 -8.713 1.062 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.459 -6.661 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.224 -8.196 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.825 -7.940 0.264 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.927 -6.630 1.005 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -9.158 -4.529 0.272 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.348 -4.072 -0.951 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.101 -8.963 -1.154 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.323 -9.908 -1.948 1.00 0.00 C ATOM 2298 C LEU B 99 -3.295 -10.661 -1.109 1.00 0.00 C ATOM 2299 O LEU B 99 -3.004 -11.825 -1.376 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.624 -9.179 -3.090 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.574 -8.578 -4.120 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -3.857 -7.546 -4.978 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.182 -9.672 -4.982 1.00 0.00 C ATOM 0 H LEU B 99 -4.714 -8.020 -1.122 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.020 -10.644 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.006 -8.383 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -2.952 -9.874 -3.593 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.381 -8.071 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.554 -7.130 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.476 -6.746 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.027 -8.021 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.858 -9.227 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.388 -10.209 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.736 -10.367 -4.351 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.768 -9.990 -0.093 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.739 -10.548 0.789 1.00 0.00 C ATOM 2317 C LEU B 100 -1.980 -11.990 1.241 1.00 0.00 C ATOM 2318 O LEU B 100 -1.179 -12.872 0.925 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.534 -9.654 2.010 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.464 -8.601 1.818 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.173 -7.881 3.123 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.780 -9.265 1.278 1.00 0.00 C ATOM 0 H LEU B 100 -3.041 -9.037 0.148 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.838 -10.578 0.176 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.476 -9.162 2.252 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.270 -10.276 2.865 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.813 -7.853 1.107 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.599 -7.129 2.959 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.081 -7.396 3.482 1.00 0.00 H new ATOM 0 HD13 LEU B 100 0.172 -8.600 3.866 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.559 -8.516 1.135 1.00 0.00 H new ATOM 0 HD22 LEU B 100 1.126 -10.019 1.985 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.554 -9.740 0.323 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.077 -12.275 1.961 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.330 -13.623 2.469 1.00 0.00 C ATOM 2336 C PRO B 101 -3.603 -14.640 1.365 1.00 0.00 C ATOM 2337 O PRO B 101 -3.550 -15.845 1.596 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.544 -13.441 3.375 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.233 -12.221 2.871 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.158 -11.336 2.316 1.00 0.00 C ATOM 0 HA PRO B 101 -2.461 -14.029 2.986 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.201 -14.310 3.331 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.243 -13.321 4.416 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -5.964 -12.475 2.103 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.775 -11.720 3.673 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.507 -10.780 1.446 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -3.825 -10.602 3.050 1.00 0.00 H new ATOM 2348 N LYS B 102 -3.893 -14.152 0.169 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.157 -15.028 -0.964 1.00 0.00 C ATOM 2350 C LYS B 102 -2.855 -15.447 -1.649 1.00 0.00 C ATOM 2351 O LYS B 102 -2.861 -16.293 -2.540 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.095 -14.349 -1.964 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.519 -14.205 -1.450 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.520 -14.102 -2.592 1.00 0.00 C ATOM 2355 CE LYS B 102 -7.581 -12.695 -3.164 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.310 -11.762 -2.264 1.00 0.00 N ATOM 0 H LYS B 102 -3.952 -13.156 -0.043 1.00 0.00 H new ATOM 0 HA LYS B 102 -4.646 -15.927 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.702 -13.362 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.107 -14.925 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.768 -15.061 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.591 -13.318 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.246 -14.803 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.508 -14.393 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -6.569 -12.325 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.072 -12.719 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.670 -10.958 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.107 -12.261 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.664 -11.414 -1.527 1.00 0.00 H new ATOM 2370 N PHE B 103 -1.746 -14.841 -1.236 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.443 -15.153 -1.817 1.00 0.00 C ATOM 2372 C PHE B 103 0.528 -15.685 -0.771 1.00 0.00 C ATOM 2373 O PHE B 103 1.418 -16.464 -1.105 1.00 0.00 O ATOM 2374 CB PHE B 103 0.157 -13.919 -2.492 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.446 -13.614 -3.835 1.00 0.00 C ATOM 2376 CD1 PHE B 103 0.095 -14.159 -4.988 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -1.550 -12.785 -3.944 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -0.456 -13.884 -6.225 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -2.105 -12.506 -5.178 1.00 0.00 C ATOM 2380 CZ PHE B 103 -1.557 -13.056 -6.319 1.00 0.00 C ATOM 0 H PHE B 103 -1.723 -14.132 -0.503 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.603 -15.932 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE B 103 0.023 -13.057 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.231 -14.066 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE B 103 0.957 -14.806 -4.919 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.982 -12.352 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -0.026 -14.316 -7.117 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.966 -11.858 -5.250 1.00 0.00 H new ATOM 0 HZ PHE B 103 -1.989 -12.839 -7.285 1.00 0.00 H new