USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 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+ -162:sc= 1.04 (180deg=-0.928!) USER MOD Set 1.2: B 81 ASN : amide:sc= 2.03 K(o=4,f=-8!) USER MOD Set 1.3: B 84 THR OG1 : rot 69:sc= 0.978 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -0.999 K(o=-1,f=-3.2) USER MOD Set 2.2: B 75 THR OG1 : rot 160:sc= 0 USER MOD Set 3.1: B 66 GLN : amide:sc= -3.71! C(o=-5.2!,f=-5.8!) USER MOD Set 3.2: B 76 ASN : amide:sc= -1.45! X(o=-5.2!,f=-5.3) USER MOD Set 4.1: B 56 SER OG : rot 177:sc= 0.81 USER MOD Set 4.2: B 64 GLN :FLIP amide:sc= -1.4! C(o=-2.6!,f=-0.59!) USER MOD Set 5.1: B 17 GLN :FLIP amide:sc= 0.84 F(o=-0.43!,f=0.64) USER MOD Set 5.2: B 20 GLN :FLIP amide:sc= -0.198 F(o=-0.43,f=0.64) USER MOD Single : B 13 LYS NZ :NH3+ -164:sc= -0.147 (180deg=-0.545) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.17) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -112:sc= -0.443 (180deg=-2.77!) USER MOD Single : B 44 SER OG : rot 16:sc= 0.173 USER MOD Single : B 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 164:sc= 1.27 USER MOD Single : B 51 LYS NZ :NH3+ -113:sc= 1.46 (180deg=-1.98!) USER MOD Single : B 52 CYS SG : rot -43:sc= -0.158 USER MOD Single : B 53 GLN : amide:sc= -2.13 K(o=-2.1,f=-9.3!) USER MOD Single : B 54 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.12) USER MOD Single : B 60 LYS NZ :NH3+ -123:sc= -1.69! (180deg=-3.67!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HE2:sc= -5.57! C(o=-5.6!,f=-8.5!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -2.08! X(o=-2.1!,f=-1.6) USER MOD Single : B 80 SER OG : rot 21:sc= -0.314 USER MOD Single : B 83 SER OG : rot 67:sc= 1.23 USER MOD Single : B 87 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.16) USER MOD Single : B 93 LYS NZ :NH3+ -162:sc= 0.289! (180deg=-0.333) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.52 F(o=-3!,f=-1.5) USER MOD Single : B 98 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.28) USER MOD Single : B 102 LYS NZ :NH3+ 148:sc= 1.27 (180deg=0.684) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.177 4.733 13.749 1.00 0.00 N ATOM 340 CA ASP A 132 2.899 5.382 13.994 1.00 0.00 C ATOM 341 C ASP A 132 2.019 5.221 12.794 1.00 0.00 C ATOM 342 O ASP A 132 1.441 6.169 12.271 1.00 0.00 O ATOM 343 CB ASP A 132 3.043 6.840 14.334 1.00 0.00 C ATOM 344 CG ASP A 132 1.913 7.309 15.230 1.00 0.00 C ATOM 345 OD1 ASP A 132 1.287 6.454 15.892 1.00 0.00 O ATOM 346 OD2 ASP A 132 1.626 8.523 15.244 1.00 0.00 O ATOM 0 HA ASP A 132 2.449 4.898 14.861 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.998 7.007 14.831 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.053 7.430 13.418 1.00 0.00 H new ATOM 351 N TRP A 133 1.960 3.998 12.360 1.00 0.00 N ATOM 352 CA TRP A 133 1.170 3.606 11.226 1.00 0.00 C ATOM 353 C TRP A 133 -0.036 2.840 11.718 1.00 0.00 C ATOM 354 O TRP A 133 0.083 2.016 12.624 1.00 0.00 O ATOM 355 CB TRP A 133 1.970 2.677 10.314 1.00 0.00 C ATOM 356 CG TRP A 133 3.379 3.081 10.005 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.463 2.994 10.820 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.867 3.568 8.761 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.582 3.430 10.164 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.245 3.794 8.907 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.274 3.848 7.545 1.00 0.00 C ATOM 362 CZ2 TRP A 133 6.038 4.286 7.886 1.00 0.00 C ATOM 363 CZ3 TRP A 133 4.063 4.335 6.529 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.431 4.553 6.704 1.00 0.00 C ATOM 0 H TRP A 133 2.469 3.227 12.792 1.00 0.00 H new ATOM 0 HA TRP A 133 0.878 4.500 10.676 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.993 1.688 10.773 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.431 2.579 9.372 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.444 2.633 11.838 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.521 3.473 10.561 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.216 3.688 7.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.096 4.450 8.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.613 4.554 5.572 1.00 0.00 H new ATOM 0 HH2 TRP A 133 6.016 4.941 5.883 1.00 0.00 H new ATOM 375 N GLU A 134 -1.186 3.113 11.141 1.00 0.00 N ATOM 376 CA GLU A 134 -2.372 2.381 11.490 1.00 0.00 C ATOM 377 C GLU A 134 -2.188 1.047 10.818 1.00 0.00 C ATOM 378 O GLU A 134 -2.361 0.900 9.609 1.00 0.00 O ATOM 379 CB GLU A 134 -3.634 3.107 11.024 1.00 0.00 C ATOM 380 CG GLU A 134 -3.816 4.461 11.696 1.00 0.00 C ATOM 381 CD GLU A 134 -3.359 4.455 13.146 1.00 0.00 C ATOM 382 OE1 GLU A 134 -4.131 4.001 14.013 1.00 0.00 O ATOM 383 OE2 GLU A 134 -2.213 4.879 13.420 1.00 0.00 O ATOM 0 H GLU A 134 -1.319 3.834 10.432 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.504 2.275 12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.590 3.245 9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.504 2.484 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.255 5.216 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.867 4.748 11.650 1.00 0.00 H new ATOM 390 N GLU A 135 -1.771 0.099 11.620 1.00 0.00 N ATOM 391 CA GLU A 135 -1.411 -1.206 11.138 1.00 0.00 C ATOM 392 C GLU A 135 -2.566 -2.001 10.565 1.00 0.00 C ATOM 393 O GLU A 135 -3.489 -2.426 11.260 1.00 0.00 O ATOM 394 CB GLU A 135 -0.698 -1.971 12.248 1.00 0.00 C ATOM 395 CG GLU A 135 -1.433 -1.978 13.572 1.00 0.00 C ATOM 396 CD GLU A 135 -1.043 -0.811 14.444 1.00 0.00 C ATOM 397 OE1 GLU A 135 0.147 -0.718 14.803 1.00 0.00 O ATOM 398 OE2 GLU A 135 -1.924 0.021 14.756 1.00 0.00 O ATOM 0 H GLU A 135 -1.672 0.214 12.629 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.738 -1.060 10.293 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.547 -3.001 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.290 -1.535 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.507 -1.951 13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.223 -2.909 14.098 1.00 0.00 H new ATOM 405 N VAL A 136 -2.471 -2.169 9.260 1.00 0.00 N ATOM 406 CA VAL A 136 -3.407 -2.933 8.478 1.00 0.00 C ATOM 407 C VAL A 136 -2.925 -4.358 8.406 1.00 0.00 C ATOM 408 O VAL A 136 -1.740 -4.618 8.215 1.00 0.00 O ATOM 409 CB VAL A 136 -3.507 -2.377 7.063 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.437 -3.175 6.207 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.901 -0.938 7.112 1.00 0.00 C ATOM 0 H VAL A 136 -1.717 -1.764 8.705 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.389 -2.878 8.948 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.525 -2.455 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.475 -2.740 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.080 -4.203 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.435 -3.164 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.971 -0.545 6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.868 -0.842 7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.152 -0.374 7.668 1.00 0.00 H new ATOM 421 N GLU A 137 -3.832 -5.271 8.512 1.00 0.00 N ATOM 422 CA GLU A 137 -3.467 -6.670 8.511 1.00 0.00 C ATOM 423 C GLU A 137 -4.060 -7.419 7.324 1.00 0.00 C ATOM 424 O GLU A 137 -5.067 -7.001 6.771 1.00 0.00 O ATOM 425 CB GLU A 137 -3.901 -7.311 9.818 1.00 0.00 C ATOM 426 CG GLU A 137 -3.615 -8.786 9.856 1.00 0.00 C ATOM 427 CD GLU A 137 -2.138 -9.095 9.975 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.379 -8.714 9.061 1.00 0.00 O ATOM 429 OE2 GLU A 137 -1.725 -9.731 10.966 1.00 0.00 O ATOM 0 H GLU A 137 -4.831 -5.087 8.601 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.383 -6.733 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.388 -6.823 10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.969 -7.147 9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.144 -9.232 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -4.007 -9.251 8.951 1.00 0.00 H new ATOM 436 N GLU A 138 -3.392 -8.501 6.920 1.00 0.00 N ATOM 437 CA GLU A 138 -3.844 -9.346 5.815 1.00 0.00 C ATOM 438 C GLU A 138 -5.353 -9.606 5.910 1.00 0.00 C ATOM 439 O GLU A 138 -5.849 -10.100 6.922 1.00 0.00 O ATOM 440 CB GLU A 138 -3.068 -10.669 5.828 1.00 0.00 C ATOM 441 CG GLU A 138 -2.844 -11.240 7.222 1.00 0.00 C ATOM 442 CD GLU A 138 -2.150 -12.585 7.204 1.00 0.00 C ATOM 443 OE1 GLU A 138 -2.671 -13.516 6.554 1.00 0.00 O ATOM 444 OE2 GLU A 138 -1.075 -12.727 7.838 1.00 0.00 O ATOM 0 H GLU A 138 -2.522 -8.816 7.350 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.652 -8.829 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.608 -11.402 5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.101 -10.516 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.249 -10.538 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -3.805 -11.340 7.727 1.00 0.00 H new ATOM 451 N LEU A 139 -6.075 -9.263 4.851 1.00 0.00 N ATOM 452 CA LEU A 139 -7.522 -9.418 4.826 1.00 0.00 C ATOM 453 C LEU A 139 -7.980 -10.202 3.595 1.00 0.00 C ATOM 454 O LEU A 139 -7.486 -9.987 2.494 1.00 0.00 O ATOM 455 CB LEU A 139 -8.177 -8.034 4.841 1.00 0.00 C ATOM 456 CG LEU A 139 -9.449 -7.872 3.999 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.644 -8.522 4.685 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.730 -6.401 3.738 1.00 0.00 C ATOM 0 H LEU A 139 -5.679 -8.874 3.995 1.00 0.00 H new ATOM 0 HA LEU A 139 -7.825 -9.982 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.416 -7.781 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.444 -7.305 4.496 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.288 -8.374 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.533 -8.393 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.450 -9.586 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.806 -8.053 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.636 -6.304 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.865 -5.882 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.891 -5.960 3.200 1.00 0.00 H new ATOM 815 N VAL B 8 -0.560 -4.976 -13.526 1.00 0.00 N ATOM 816 CA VAL B 8 -0.519 -3.836 -12.627 1.00 0.00 C ATOM 817 C VAL B 8 -1.932 -3.336 -12.357 1.00 0.00 C ATOM 818 O VAL B 8 -2.533 -2.652 -13.183 1.00 0.00 O ATOM 819 CB VAL B 8 0.334 -2.684 -13.199 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.623 -1.651 -12.121 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.630 -3.213 -13.796 1.00 0.00 C ATOM 0 HA VAL B 8 -0.057 -4.168 -11.697 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.233 -2.203 -13.996 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.225 -0.846 -12.541 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.316 -1.244 -11.746 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.167 -2.122 -11.302 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.214 -2.382 -14.193 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.205 -3.724 -13.023 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.401 -3.912 -14.600 1.00 0.00 H new ATOM 831 N LEU B 9 -2.449 -3.702 -11.199 1.00 0.00 N ATOM 832 CA LEU B 9 -3.789 -3.323 -10.785 1.00 0.00 C ATOM 833 C LEU B 9 -3.847 -1.862 -10.365 1.00 0.00 C ATOM 834 O LEU B 9 -4.787 -1.144 -10.699 1.00 0.00 O ATOM 835 CB LEU B 9 -4.228 -4.196 -9.610 1.00 0.00 C ATOM 836 CG LEU B 9 -4.227 -5.704 -9.870 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.671 -6.455 -8.625 1.00 0.00 C ATOM 838 CD2 LEU B 9 -5.125 -6.050 -11.048 1.00 0.00 C ATOM 0 H LEU B 9 -1.951 -4.272 -10.516 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.456 -3.466 -11.635 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.573 -3.991 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.234 -3.897 -9.314 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.210 -6.008 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.665 -7.526 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.988 -6.235 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.679 -6.142 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.108 -7.127 -11.214 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.145 -5.731 -10.834 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.766 -5.540 -11.942 1.00 0.00 H new ATOM 850 N LEU B 10 -2.841 -1.431 -9.625 1.00 0.00 N ATOM 851 CA LEU B 10 -2.802 -0.059 -9.141 1.00 0.00 C ATOM 852 C LEU B 10 -1.484 0.633 -9.454 1.00 0.00 C ATOM 853 O LEU B 10 -0.409 0.065 -9.270 1.00 0.00 O ATOM 854 CB LEU B 10 -3.059 -0.014 -7.639 1.00 0.00 C ATOM 855 CG LEU B 10 -3.560 1.334 -7.126 1.00 0.00 C ATOM 856 CD1 LEU B 10 -4.957 1.621 -7.650 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.542 1.370 -5.609 1.00 0.00 C ATOM 0 H LEU B 10 -2.045 -2.005 -9.347 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.591 0.480 -9.666 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.791 -0.781 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.137 -0.268 -7.117 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.889 2.110 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.296 2.586 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.940 1.643 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.639 0.840 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.903 2.339 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.187 0.583 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.523 1.214 -5.253 1.00 0.00 H new ATOM 869 N ILE B 11 -1.583 1.864 -9.932 1.00 0.00 N ATOM 870 CA ILE B 11 -0.413 2.667 -10.251 1.00 0.00 C ATOM 871 C ILE B 11 -0.412 3.917 -9.388 1.00 0.00 C ATOM 872 O ILE B 11 -1.224 4.820 -9.581 1.00 0.00 O ATOM 873 CB ILE B 11 -0.368 3.061 -11.744 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.248 1.808 -12.617 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.789 4.017 -12.012 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.280 2.091 -14.103 1.00 0.00 C ATOM 0 H ILE B 11 -2.472 2.332 -10.109 1.00 0.00 H new ATOM 0 HA ILE B 11 0.473 2.066 -10.046 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.296 3.573 -11.998 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.683 1.296 -12.375 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.061 1.125 -12.369 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.804 4.283 -13.069 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.662 4.919 -11.413 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.729 3.534 -11.746 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.190 1.155 -14.654 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.222 2.575 -14.361 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.549 2.748 -14.366 1.00 0.00 H new ATOM 888 N VAL B 12 0.495 3.946 -8.431 1.00 0.00 N ATOM 889 CA VAL B 12 0.620 5.061 -7.511 1.00 0.00 C ATOM 890 C VAL B 12 1.709 6.013 -7.985 1.00 0.00 C ATOM 891 O VAL B 12 2.755 5.578 -8.481 1.00 0.00 O ATOM 892 CB VAL B 12 0.944 4.558 -6.090 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.790 5.667 -5.064 1.00 0.00 C ATOM 894 CG2 VAL B 12 0.059 3.373 -5.739 1.00 0.00 C ATOM 0 H VAL B 12 1.167 3.196 -8.269 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.331 5.593 -7.484 1.00 0.00 H new ATOM 0 HB VAL B 12 1.985 4.235 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.025 5.281 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.470 6.484 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.236 6.034 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.297 3.026 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.987 3.675 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.232 2.566 -6.451 1.00 0.00 H new ATOM 904 N LYS B 13 1.466 7.302 -7.840 1.00 0.00 N ATOM 905 CA LYS B 13 2.423 8.307 -8.273 1.00 0.00 C ATOM 906 C LYS B 13 3.251 8.846 -7.111 1.00 0.00 C ATOM 907 O LYS B 13 2.992 8.520 -5.958 1.00 0.00 O ATOM 908 CB LYS B 13 1.705 9.455 -8.987 1.00 0.00 C ATOM 909 CG LYS B 13 1.435 9.185 -10.462 1.00 0.00 C ATOM 910 CD LYS B 13 2.717 9.212 -11.284 1.00 0.00 C ATOM 911 CE LYS B 13 3.369 7.839 -11.364 1.00 0.00 C ATOM 912 NZ LYS B 13 4.742 7.909 -11.933 1.00 0.00 N ATOM 0 H LYS B 13 0.614 7.680 -7.426 1.00 0.00 H new ATOM 0 HA LYS B 13 3.109 7.824 -8.969 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.758 9.649 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.306 10.360 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.953 8.214 -10.572 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.740 9.931 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.496 9.568 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.417 9.921 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.411 7.398 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.755 7.181 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.047 6.958 -12.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.743 8.540 -12.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.397 8.278 -11.215 1.00 0.00 H new ATOM 926 N LYS B 14 4.204 9.719 -7.466 1.00 0.00 N ATOM 927 CA LYS B 14 5.151 10.370 -6.546 1.00 0.00 C ATOM 928 C LYS B 14 5.257 9.718 -5.163 1.00 0.00 C ATOM 929 O LYS B 14 4.776 10.258 -4.166 1.00 0.00 O ATOM 930 CB LYS B 14 4.763 11.839 -6.391 1.00 0.00 C ATOM 931 CG LYS B 14 5.117 12.700 -7.593 1.00 0.00 C ATOM 932 CD LYS B 14 4.019 13.707 -7.899 1.00 0.00 C ATOM 933 CE LYS B 14 3.829 14.701 -6.763 1.00 0.00 C ATOM 934 NZ LYS B 14 2.604 15.525 -6.949 1.00 0.00 N ATOM 0 H LYS B 14 4.343 10.002 -8.436 1.00 0.00 H new ATOM 0 HA LYS B 14 6.137 10.258 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.690 11.904 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.258 12.244 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.052 13.226 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.281 12.063 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.264 14.245 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.083 13.179 -8.080 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.765 14.164 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.700 15.353 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.661 16.373 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.526 15.811 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.767 14.968 -6.682 1.00 0.00 H new ATOM 948 N VAL B 15 5.909 8.565 -5.118 1.00 0.00 N ATOM 949 CA VAL B 15 6.124 7.837 -3.877 1.00 0.00 C ATOM 950 C VAL B 15 7.600 7.911 -3.511 1.00 0.00 C ATOM 951 O VAL B 15 8.451 7.435 -4.260 1.00 0.00 O ATOM 952 CB VAL B 15 5.710 6.352 -3.995 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.963 5.608 -2.692 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.251 6.227 -4.394 1.00 0.00 C ATOM 0 H VAL B 15 6.303 8.109 -5.941 1.00 0.00 H new ATOM 0 HA VAL B 15 5.505 8.297 -3.107 1.00 0.00 H new ATOM 0 HB VAL B 15 6.323 5.899 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.663 4.566 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.024 5.656 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.384 6.069 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.984 5.173 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.625 6.706 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.094 6.712 -5.358 1.00 0.00 H new ATOM 964 N ARG B 16 7.903 8.510 -2.373 1.00 0.00 N ATOM 965 CA ARG B 16 9.272 8.645 -1.935 1.00 0.00 C ATOM 966 C ARG B 16 9.583 7.664 -0.824 1.00 0.00 C ATOM 967 O ARG B 16 9.002 7.725 0.251 1.00 0.00 O ATOM 968 CB ARG B 16 9.547 10.070 -1.448 1.00 0.00 C ATOM 969 CG ARG B 16 9.661 11.081 -2.574 1.00 0.00 C ATOM 970 CD ARG B 16 10.192 12.420 -2.086 1.00 0.00 C ATOM 971 NE ARG B 16 10.342 13.367 -3.191 1.00 0.00 N ATOM 972 CZ ARG B 16 11.388 13.381 -4.020 1.00 0.00 C ATOM 973 NH1 ARG B 16 12.464 12.653 -3.756 1.00 0.00 N ATOM 974 NH2 ARG B 16 11.380 14.159 -5.095 1.00 0.00 N ATOM 0 H ARG B 16 7.214 8.910 -1.737 1.00 0.00 H new ATOM 0 HA ARG B 16 9.914 8.429 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.747 10.376 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.471 10.076 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG B 16 10.322 10.689 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.683 11.224 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.513 12.833 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.154 12.275 -1.595 1.00 0.00 H new ATOM 0 HE ARG B 16 9.605 14.056 -3.336 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.496 12.077 -2.915 1.00 0.00 H new ATOM 0 HH12 ARG B 16 13.260 12.669 -4.394 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.572 14.750 -5.291 1.00 0.00 H new ATOM 0 HH22 ARG B 16 12.182 14.166 -5.725 1.00 0.00 H new ATOM 988 N GLN B 17 10.488 6.750 -1.085 1.00 0.00 N ATOM 989 CA GLN B 17 10.883 5.800 -0.072 1.00 0.00 C ATOM 990 C GLN B 17 12.258 6.209 0.433 1.00 0.00 C ATOM 991 O GLN B 17 13.232 6.207 -0.316 1.00 0.00 O ATOM 992 CB GLN B 17 10.841 4.355 -0.601 1.00 0.00 C ATOM 993 CG GLN B 17 11.961 3.977 -1.555 1.00 0.00 C ATOM 994 CD GLN B 17 12.813 2.843 -1.017 1.00 0.00 C ATOM 995 OE1 GLN B 17 12.205 1.958 -0.239 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 14.005 2.763 -1.294 1.00 0.00 N flip ATOM 0 H GLN B 17 10.961 6.644 -1.982 1.00 0.00 H new ATOM 0 HA GLN B 17 10.179 5.814 0.760 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.866 3.674 0.250 1.00 0.00 H new ATOM 0 HB3 GLN B 17 9.888 4.199 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.535 3.686 -2.515 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.591 4.848 -1.737 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.437 3.464 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN B 17 14.565 1.996 -0.922 1.00 0.00 H new ATOM 1005 N LYS B 18 12.307 6.641 1.686 1.00 0.00 N ATOM 1006 CA LYS B 18 13.547 7.108 2.294 1.00 0.00 C ATOM 1007 C LYS B 18 13.995 8.394 1.596 1.00 0.00 C ATOM 1008 O LYS B 18 15.180 8.606 1.341 1.00 0.00 O ATOM 1009 CB LYS B 18 14.642 6.032 2.235 1.00 0.00 C ATOM 1010 CG LYS B 18 15.462 5.917 3.513 1.00 0.00 C ATOM 1011 CD LYS B 18 14.595 5.543 4.709 1.00 0.00 C ATOM 1012 CE LYS B 18 14.365 6.731 5.630 1.00 0.00 C ATOM 1013 NZ LYS B 18 15.462 6.896 6.617 1.00 0.00 N ATOM 0 H LYS B 18 11.497 6.678 2.305 1.00 0.00 H new ATOM 0 HA LYS B 18 13.368 7.317 3.349 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.180 5.068 2.023 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.311 6.254 1.404 1.00 0.00 H new ATOM 0 HG2 LYS B 18 16.240 5.166 3.379 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.964 6.864 3.710 1.00 0.00 H new ATOM 0 HD2 LYS B 18 13.635 5.163 4.358 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.072 4.737 5.267 1.00 0.00 H new ATOM 0 HE2 LYS B 18 14.276 7.639 5.034 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.420 6.602 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 15.263 7.717 7.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 15.532 6.041 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 16.361 7.046 6.115 1.00 0.00 H new ATOM 1027 N LYS B 19 12.998 9.227 1.274 1.00 0.00 N ATOM 1028 CA LYS B 19 13.191 10.532 0.625 1.00 0.00 C ATOM 1029 C LYS B 19 13.491 10.454 -0.879 1.00 0.00 C ATOM 1030 O LYS B 19 13.684 11.493 -1.511 1.00 0.00 O ATOM 1031 CB LYS B 19 14.284 11.345 1.331 1.00 0.00 C ATOM 1032 CG LYS B 19 13.745 12.328 2.357 1.00 0.00 C ATOM 1033 CD LYS B 19 12.972 11.621 3.458 1.00 0.00 C ATOM 1034 CE LYS B 19 12.402 12.607 4.461 1.00 0.00 C ATOM 1035 NZ LYS B 19 13.475 13.350 5.170 1.00 0.00 N ATOM 0 H LYS B 19 12.019 9.011 1.459 1.00 0.00 H new ATOM 0 HA LYS B 19 12.230 11.038 0.721 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.973 10.660 1.824 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.858 11.892 0.583 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.572 12.888 2.794 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.096 13.051 1.863 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.162 11.039 3.019 1.00 0.00 H new ATOM 0 HD3 LYS B 19 13.628 10.918 3.971 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.749 13.312 3.947 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.788 12.074 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.068 13.859 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.195 12.681 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.915 14.031 4.518 1.00 0.00 H new ATOM 1049 N GLN B 20 13.488 9.267 -1.476 1.00 0.00 N ATOM 1050 CA GLN B 20 13.773 9.174 -2.911 1.00 0.00 C ATOM 1051 C GLN B 20 12.480 8.950 -3.688 1.00 0.00 C ATOM 1052 O GLN B 20 11.673 8.092 -3.336 1.00 0.00 O ATOM 1053 CB GLN B 20 14.822 8.097 -3.224 1.00 0.00 C ATOM 1054 CG GLN B 20 14.334 6.667 -3.091 1.00 0.00 C ATOM 1055 CD GLN B 20 15.327 5.668 -3.651 1.00 0.00 C ATOM 1056 OE1 GLN B 20 15.367 4.483 -3.070 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.055 5.958 -4.599 1.00 0.00 N flip ATOM 0 H GLN B 20 13.298 8.379 -1.010 1.00 0.00 H new ATOM 0 HA GLN B 20 14.207 10.121 -3.232 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.183 8.248 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.674 8.237 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.151 6.444 -2.040 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.382 6.560 -3.610 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.996 6.884 -5.023 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.718 5.273 -4.961 1.00 0.00 H new ATOM 1066 N ASP B 21 12.296 9.738 -4.738 1.00 0.00 N ATOM 1067 CA ASP B 21 11.080 9.692 -5.548 1.00 0.00 C ATOM 1068 C ASP B 21 10.991 8.449 -6.413 1.00 0.00 C ATOM 1069 O ASP B 21 11.998 7.868 -6.814 1.00 0.00 O ATOM 1070 CB ASP B 21 10.968 10.936 -6.437 1.00 0.00 C ATOM 1071 CG ASP B 21 12.296 11.364 -7.030 1.00 0.00 C ATOM 1072 OD1 ASP B 21 13.100 11.988 -6.295 1.00 0.00 O ATOM 1073 OD2 ASP B 21 12.532 11.093 -8.218 1.00 0.00 O ATOM 0 H ASP B 21 12.980 10.425 -5.054 1.00 0.00 H new ATOM 0 HA ASP B 21 10.250 9.664 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.264 10.736 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP B 21 10.556 11.758 -5.851 1.00 0.00 H new ATOM 1078 N GLY B 22 9.758 8.048 -6.675 1.00 0.00 N ATOM 1079 CA GLY B 22 9.496 6.896 -7.494 1.00 0.00 C ATOM 1080 C GLY B 22 8.013 6.651 -7.649 1.00 0.00 C ATOM 1081 O GLY B 22 7.195 7.401 -7.121 1.00 0.00 O ATOM 0 H GLY B 22 8.921 8.514 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.947 7.037 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.966 6.018 -7.050 1.00 0.00 H new ATOM 1085 N ALA B 23 7.669 5.610 -8.373 1.00 0.00 N ATOM 1086 CA ALA B 23 6.284 5.251 -8.593 1.00 0.00 C ATOM 1087 C ALA B 23 6.018 3.881 -7.997 1.00 0.00 C ATOM 1088 O ALA B 23 6.859 2.984 -8.091 1.00 0.00 O ATOM 1089 CB ALA B 23 5.956 5.273 -10.075 1.00 0.00 C ATOM 0 H ALA B 23 8.339 4.989 -8.826 1.00 0.00 H new ATOM 0 HA ALA B 23 5.640 5.980 -8.101 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.911 5.000 -10.220 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.129 6.274 -10.471 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.593 4.561 -10.599 1.00 0.00 H new ATOM 1095 N LEU B 24 4.858 3.719 -7.391 1.00 0.00 N ATOM 1096 CA LEU B 24 4.511 2.460 -6.760 1.00 0.00 C ATOM 1097 C LEU B 24 3.541 1.694 -7.661 1.00 0.00 C ATOM 1098 O LEU B 24 2.424 2.142 -7.906 1.00 0.00 O ATOM 1099 CB LEU B 24 3.884 2.730 -5.388 1.00 0.00 C ATOM 1100 CG LEU B 24 4.151 1.672 -4.313 1.00 0.00 C ATOM 1101 CD1 LEU B 24 3.066 1.702 -3.248 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.275 0.284 -4.914 1.00 0.00 C ATOM 0 H LEU B 24 4.141 4.441 -7.322 1.00 0.00 H new ATOM 0 HA LEU B 24 5.406 1.855 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.250 3.690 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.806 2.828 -5.515 1.00 0.00 H new ATOM 0 HG LEU B 24 5.104 1.913 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.275 0.943 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU B 24 3.045 2.685 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU B 24 2.099 1.500 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.464 -0.440 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.349 0.026 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.101 0.268 -5.625 1.00 0.00 H new ATOM 1114 N TYR B 25 3.975 0.547 -8.158 1.00 0.00 N ATOM 1115 CA TYR B 25 3.148 -0.262 -9.040 1.00 0.00 C ATOM 1116 C TYR B 25 2.659 -1.523 -8.336 1.00 0.00 C ATOM 1117 O TYR B 25 3.449 -2.395 -7.965 1.00 0.00 O ATOM 1118 CB TYR B 25 3.929 -0.632 -10.305 1.00 0.00 C ATOM 1119 CG TYR B 25 4.400 0.566 -11.100 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.551 1.207 -11.993 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.693 1.057 -10.957 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.976 2.303 -12.718 1.00 0.00 C ATOM 1123 CE2 TYR B 25 6.124 2.152 -11.678 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.263 2.772 -12.558 1.00 0.00 C ATOM 1125 OH TYR B 25 5.687 3.866 -13.278 1.00 0.00 O ATOM 0 H TYR B 25 4.897 0.154 -7.966 1.00 0.00 H new ATOM 0 HA TYR B 25 2.275 0.328 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.793 -1.234 -10.025 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.300 -1.255 -10.941 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.543 0.843 -12.122 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.372 0.573 -10.270 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.303 2.791 -13.408 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.131 2.521 -11.553 1.00 0.00 H new ATOM 0 HH TYR B 25 6.618 4.068 -13.048 1.00 0.00 H new ATOM 1135 N LEU B 26 1.352 -1.602 -8.140 1.00 0.00 N ATOM 1136 CA LEU B 26 0.731 -2.747 -7.499 1.00 0.00 C ATOM 1137 C LEU B 26 0.245 -3.740 -8.533 1.00 0.00 C ATOM 1138 O LEU B 26 -0.655 -3.434 -9.306 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.461 -2.306 -6.655 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.110 -1.686 -5.314 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.367 -1.311 -4.554 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.715 -2.649 -4.500 1.00 0.00 C ATOM 0 H LEU B 26 0.694 -0.875 -8.421 1.00 0.00 H new ATOM 0 HA LEU B 26 1.482 -3.216 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.045 -1.586 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.102 -3.170 -6.481 1.00 0.00 H new ATOM 0 HG LEU B 26 0.470 -0.781 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.094 -0.868 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.943 -0.591 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -1.969 -2.204 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.962 -2.195 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.147 -3.564 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.634 -2.885 -5.037 1.00 0.00 H new ATOM 1154 N MET B 27 0.834 -4.917 -8.550 1.00 0.00 N ATOM 1155 CA MET B 27 0.421 -5.948 -9.488 1.00 0.00 C ATOM 1156 C MET B 27 -0.509 -6.925 -8.787 1.00 0.00 C ATOM 1157 O MET B 27 -0.835 -6.744 -7.613 1.00 0.00 O ATOM 1158 CB MET B 27 1.632 -6.676 -10.075 1.00 0.00 C ATOM 1159 CG MET B 27 2.161 -6.044 -11.351 1.00 0.00 C ATOM 1160 SD MET B 27 3.961 -5.985 -11.408 1.00 0.00 S ATOM 1161 CE MET B 27 4.296 -4.870 -10.051 1.00 0.00 C ATOM 0 H MET B 27 1.597 -5.186 -7.929 1.00 0.00 H new ATOM 0 HA MET B 27 -0.110 -5.479 -10.316 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.429 -6.696 -9.332 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.360 -7.712 -10.278 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.793 -6.607 -12.209 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.766 -5.032 -11.440 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.699 -3.935 -10.440 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.372 -4.670 -9.508 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.022 -5.325 -9.377 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.947 -7.948 -9.497 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.847 -8.933 -8.920 1.00 0.00 C ATOM 1173 C ALA B 28 -1.070 -10.057 -8.247 1.00 0.00 C ATOM 1174 O ALA B 28 -1.653 -10.938 -7.624 1.00 0.00 O ATOM 1175 CB ALA B 28 -2.766 -9.496 -9.995 1.00 0.00 C ATOM 0 H ALA B 28 -0.696 -8.120 -10.471 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.451 -8.438 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.436 -10.233 -9.552 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.353 -8.688 -10.431 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.168 -9.971 -10.773 1.00 0.00 H new ATOM 1181 N GLU B 29 0.251 -10.011 -8.370 1.00 0.00 N ATOM 1182 CA GLU B 29 1.108 -11.046 -7.808 1.00 0.00 C ATOM 1183 C GLU B 29 2.088 -10.460 -6.796 1.00 0.00 C ATOM 1184 O GLU B 29 2.295 -11.011 -5.709 1.00 0.00 O ATOM 1185 CB GLU B 29 1.916 -11.714 -8.928 1.00 0.00 C ATOM 1186 CG GLU B 29 1.228 -11.703 -10.287 1.00 0.00 C ATOM 1187 CD GLU B 29 1.363 -10.352 -10.972 1.00 0.00 C ATOM 1188 OE1 GLU B 29 2.400 -9.688 -10.761 1.00 0.00 O ATOM 1189 OE2 GLU B 29 0.423 -9.935 -11.680 1.00 0.00 O ATOM 0 H GLU B 29 0.752 -9.267 -8.855 1.00 0.00 H new ATOM 0 HA GLU B 29 0.468 -11.773 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.878 -11.210 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU B 29 2.122 -12.747 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.660 -12.478 -10.921 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.172 -11.945 -10.163 1.00 0.00 H new ATOM 1196 N ARG B 30 2.689 -9.334 -7.152 1.00 0.00 N ATOM 1197 CA ARG B 30 3.670 -8.698 -6.290 1.00 0.00 C ATOM 1198 C ARG B 30 3.609 -7.180 -6.396 1.00 0.00 C ATOM 1199 O ARG B 30 2.999 -6.630 -7.310 1.00 0.00 O ATOM 1200 CB ARG B 30 5.078 -9.187 -6.654 1.00 0.00 C ATOM 1201 CG ARG B 30 5.695 -8.495 -7.865 1.00 0.00 C ATOM 1202 CD ARG B 30 5.250 -9.120 -9.180 1.00 0.00 C ATOM 1203 NE ARG B 30 6.156 -8.765 -10.274 1.00 0.00 N ATOM 1204 CZ ARG B 30 5.919 -9.018 -11.564 1.00 0.00 C ATOM 1205 NH1 ARG B 30 4.770 -9.568 -11.940 1.00 0.00 N ATOM 1206 NH2 ARG B 30 6.826 -8.689 -12.481 1.00 0.00 N ATOM 0 H ARG B 30 2.514 -8.844 -8.030 1.00 0.00 H new ATOM 0 HA ARG B 30 3.439 -8.973 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG B 30 5.733 -9.041 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.038 -10.259 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.421 -7.440 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG B 30 6.782 -8.542 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.212 -10.204 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.240 -8.787 -9.419 1.00 0.00 H new ATOM 0 HE ARG B 30 7.028 -8.292 -10.035 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.063 -9.799 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG B 30 4.595 -9.759 -12.927 1.00 0.00 H new ATOM 0 HH21 ARG B 30 7.699 -8.245 -12.198 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.648 -8.881 -13.467 1.00 0.00 H new ATOM 1220 N ILE B 31 4.249 -6.518 -5.448 1.00 0.00 N ATOM 1221 CA ILE B 31 4.310 -5.068 -5.424 1.00 0.00 C ATOM 1222 C ILE B 31 5.697 -4.632 -5.885 1.00 0.00 C ATOM 1223 O ILE B 31 6.699 -5.238 -5.504 1.00 0.00 O ATOM 1224 CB ILE B 31 4.005 -4.512 -4.007 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.277 -3.009 -3.935 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.813 -5.248 -2.948 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.876 -2.383 -2.617 1.00 0.00 C ATOM 0 H ILE B 31 4.739 -6.969 -4.676 1.00 0.00 H new ATOM 0 HA ILE B 31 3.551 -4.667 -6.096 1.00 0.00 H new ATOM 0 HB ILE B 31 2.946 -4.677 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.339 -2.832 -4.103 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.739 -2.512 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.581 -4.840 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.561 -6.308 -2.969 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.877 -5.124 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE B 31 4.098 -1.316 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.808 -2.528 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE B 31 4.433 -2.853 -1.807 1.00 0.00 H new ATOM 1239 N ALA B 32 5.764 -3.622 -6.734 1.00 0.00 N ATOM 1240 CA ALA B 32 7.045 -3.152 -7.232 1.00 0.00 C ATOM 1241 C ALA B 32 7.123 -1.637 -7.219 1.00 0.00 C ATOM 1242 O ALA B 32 6.134 -0.949 -7.461 1.00 0.00 O ATOM 1243 CB ALA B 32 7.296 -3.684 -8.633 1.00 0.00 C ATOM 0 H ALA B 32 4.954 -3.115 -7.091 1.00 0.00 H new ATOM 0 HA ALA B 32 7.821 -3.531 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.260 -3.323 -8.992 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.301 -4.774 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.507 -3.337 -9.301 1.00 0.00 H new ATOM 1249 N TRP B 33 8.304 -1.127 -6.935 1.00 0.00 N ATOM 1250 CA TRP B 33 8.532 0.302 -6.889 1.00 0.00 C ATOM 1251 C TRP B 33 9.775 0.651 -7.704 1.00 0.00 C ATOM 1252 O TRP B 33 10.768 -0.085 -7.695 1.00 0.00 O ATOM 1253 CB TRP B 33 8.681 0.762 -5.433 1.00 0.00 C ATOM 1254 CG TRP B 33 8.941 2.230 -5.277 1.00 0.00 C ATOM 1255 CD1 TRP B 33 8.016 3.224 -5.125 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.219 2.865 -5.249 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.648 4.441 -5.015 1.00 0.00 N ATOM 1258 CE2 TRP B 33 10.001 4.243 -5.087 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.527 2.396 -5.350 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 11.046 5.157 -5.024 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.566 3.302 -5.288 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.318 4.670 -5.128 1.00 0.00 C ATOM 0 H TRP B 33 9.130 -1.690 -6.730 1.00 0.00 H new ATOM 0 HA TRP B 33 7.678 0.822 -7.323 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.773 0.505 -4.888 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.498 0.208 -4.970 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.947 3.076 -5.096 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.185 5.342 -4.899 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.724 1.342 -5.475 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.859 6.213 -4.898 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.584 2.951 -5.364 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.151 5.356 -5.086 1.00 0.00 H new ATOM 1273 N ALA B 34 9.703 1.762 -8.413 1.00 0.00 N ATOM 1274 CA ALA B 34 10.807 2.231 -9.240 1.00 0.00 C ATOM 1275 C ALA B 34 10.826 3.751 -9.253 1.00 0.00 C ATOM 1276 O ALA B 34 9.768 4.367 -9.282 1.00 0.00 O ATOM 1277 CB ALA B 34 10.671 1.696 -10.659 1.00 0.00 C ATOM 0 H ALA B 34 8.881 2.366 -8.434 1.00 0.00 H new ATOM 0 HA ALA B 34 11.744 1.864 -8.821 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.503 2.055 -11.265 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.680 0.606 -10.639 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.732 2.043 -11.090 1.00 0.00 H new ATOM 1283 N PRO B 35 12.018 4.375 -9.216 1.00 0.00 N ATOM 1284 CA PRO B 35 12.147 5.839 -9.230 1.00 0.00 C ATOM 1285 C PRO B 35 11.410 6.469 -10.409 1.00 0.00 C ATOM 1286 O PRO B 35 11.279 5.849 -11.469 1.00 0.00 O ATOM 1287 CB PRO B 35 13.657 6.065 -9.358 1.00 0.00 C ATOM 1288 CG PRO B 35 14.272 4.826 -8.809 1.00 0.00 C ATOM 1289 CD PRO B 35 13.329 3.708 -9.156 1.00 0.00 C ATOM 0 HA PRO B 35 11.711 6.296 -8.342 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.947 6.224 -10.397 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.974 6.946 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.257 4.654 -9.242 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.407 4.902 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.588 3.244 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.345 2.920 -8.403 1.00 0.00 H new ATOM 1411 N ILE B 43 12.829 -2.191 -6.778 1.00 0.00 N ATOM 1412 CA ILE B 43 12.434 -2.955 -5.605 1.00 0.00 C ATOM 1413 C ILE B 43 11.100 -3.646 -5.854 1.00 0.00 C ATOM 1414 O ILE B 43 10.158 -3.025 -6.346 1.00 0.00 O ATOM 1415 CB ILE B 43 12.310 -2.051 -4.357 1.00 0.00 C ATOM 1416 CG1 ILE B 43 13.483 -1.068 -4.280 1.00 0.00 C ATOM 1417 CG2 ILE B 43 12.247 -2.899 -3.096 1.00 0.00 C ATOM 1418 CD1 ILE B 43 13.382 -0.083 -3.135 1.00 0.00 C ATOM 0 HA ILE B 43 13.210 -3.698 -5.421 1.00 0.00 H new ATOM 0 HB ILE B 43 11.387 -1.477 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.411 -1.631 -4.181 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.544 -0.516 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE B 43 12.160 -2.250 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.381 -3.559 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE B 43 13.155 -3.497 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE B 43 14.248 0.579 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.472 0.508 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.353 -0.625 -2.190 1.00 0.00 H new ATOM 1430 N SER B 44 11.023 -4.929 -5.533 1.00 0.00 N ATOM 1431 CA SER B 44 9.799 -5.683 -5.722 1.00 0.00 C ATOM 1432 C SER B 44 9.635 -6.713 -4.613 1.00 0.00 C ATOM 1433 O SER B 44 10.580 -7.415 -4.259 1.00 0.00 O ATOM 1434 CB SER B 44 9.806 -6.367 -7.091 1.00 0.00 C ATOM 1435 OG SER B 44 8.505 -6.806 -7.453 1.00 0.00 O ATOM 0 H SER B 44 11.795 -5.467 -5.141 1.00 0.00 H new ATOM 0 HA SER B 44 8.954 -4.995 -5.681 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.182 -5.675 -7.844 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.487 -7.218 -7.072 1.00 0.00 H new ATOM 0 HG SER B 44 7.840 -6.363 -6.885 1.00 0.00 H new ATOM 1441 N HIS B 45 8.431 -6.782 -4.062 1.00 0.00 N ATOM 1442 CA HIS B 45 8.122 -7.720 -2.993 1.00 0.00 C ATOM 1443 C HIS B 45 6.925 -8.563 -3.379 1.00 0.00 C ATOM 1444 O HIS B 45 5.904 -8.035 -3.824 1.00 0.00 O ATOM 1445 CB HIS B 45 7.808 -6.989 -1.677 1.00 0.00 C ATOM 1446 CG HIS B 45 8.740 -5.861 -1.341 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.790 -5.964 -0.454 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.750 -4.577 -1.784 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.389 -4.769 -0.384 1.00 0.00 C ATOM 1450 NE2 HIS B 45 9.795 -3.892 -1.175 1.00 0.00 N ATOM 0 H HIS B 45 7.646 -6.193 -4.341 1.00 0.00 H new ATOM 0 HA HIS B 45 8.998 -8.351 -2.843 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.792 -6.598 -1.729 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.829 -7.713 -0.862 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.056 -4.155 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.245 -4.550 0.237 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.051 -2.914 -1.311 1.00 0.00 H new ATOM 1458 N MET B 46 7.048 -9.865 -3.229 1.00 0.00 N ATOM 1459 CA MET B 46 5.951 -10.757 -3.543 1.00 0.00 C ATOM 1460 C MET B 46 4.964 -10.726 -2.395 1.00 0.00 C ATOM 1461 O MET B 46 5.364 -10.644 -1.234 1.00 0.00 O ATOM 1462 CB MET B 46 6.450 -12.186 -3.769 1.00 0.00 C ATOM 1463 CG MET B 46 6.825 -12.490 -5.210 1.00 0.00 C ATOM 1464 SD MET B 46 5.383 -12.621 -6.287 1.00 0.00 S ATOM 1465 CE MET B 46 6.156 -13.107 -7.828 1.00 0.00 C ATOM 0 H MET B 46 7.892 -10.328 -2.893 1.00 0.00 H new ATOM 0 HA MET B 46 5.471 -10.426 -4.464 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.318 -12.361 -3.134 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.676 -12.885 -3.451 1.00 0.00 H new ATOM 0 HG2 MET B 46 7.483 -11.706 -5.584 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.388 -13.423 -5.246 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.392 -13.228 -8.596 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.864 -12.338 -8.138 1.00 0.00 H new ATOM 0 HE3 MET B 46 6.683 -14.051 -7.689 1.00 0.00 H new ATOM 1475 N TYR B 47 3.678 -10.762 -2.704 1.00 0.00 N ATOM 1476 CA TYR B 47 2.663 -10.751 -1.655 1.00 0.00 C ATOM 1477 C TYR B 47 2.850 -11.968 -0.750 1.00 0.00 C ATOM 1478 O TYR B 47 2.495 -11.950 0.425 1.00 0.00 O ATOM 1479 CB TYR B 47 1.252 -10.718 -2.253 1.00 0.00 C ATOM 1480 CG TYR B 47 0.965 -9.462 -3.053 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.621 -8.269 -2.770 1.00 0.00 C ATOM 1482 CD2 TYR B 47 0.046 -9.470 -4.097 1.00 0.00 C ATOM 1483 CE1 TYR B 47 1.373 -7.127 -3.504 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.207 -8.329 -4.833 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.459 -7.161 -4.531 1.00 0.00 C ATOM 1486 OH TYR B 47 0.220 -6.025 -5.268 1.00 0.00 O ATOM 0 H TYR B 47 3.313 -10.799 -3.656 1.00 0.00 H new ATOM 0 HA TYR B 47 2.782 -9.847 -1.058 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.118 -11.588 -2.896 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.522 -10.801 -1.448 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.337 -8.236 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.478 -10.383 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.895 -6.210 -3.273 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.923 -8.352 -5.641 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.242 -6.265 -6.098 1.00 0.00 H new ATOM 1496 N ALA B 48 3.445 -13.010 -1.321 1.00 0.00 N ATOM 1497 CA ALA B 48 3.733 -14.248 -0.611 1.00 0.00 C ATOM 1498 C ALA B 48 4.761 -14.061 0.509 1.00 0.00 C ATOM 1499 O ALA B 48 4.906 -14.946 1.353 1.00 0.00 O ATOM 1500 CB ALA B 48 4.233 -15.297 -1.593 1.00 0.00 C ATOM 0 H ALA B 48 3.743 -13.018 -2.297 1.00 0.00 H new ATOM 0 HA ALA B 48 2.804 -14.576 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.448 -16.222 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.469 -15.483 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA B 48 5.141 -14.938 -2.077 1.00 0.00 H new ATOM 1506 N ASP B 49 5.461 -12.922 0.515 1.00 0.00 N ATOM 1507 CA ASP B 49 6.482 -12.641 1.521 1.00 0.00 C ATOM 1508 C ASP B 49 6.033 -11.539 2.473 1.00 0.00 C ATOM 1509 O ASP B 49 6.648 -11.319 3.523 1.00 0.00 O ATOM 1510 CB ASP B 49 7.785 -12.180 0.883 1.00 0.00 C ATOM 1511 CG ASP B 49 8.042 -12.740 -0.505 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.944 -13.972 -0.689 1.00 0.00 O ATOM 1513 OD2 ASP B 49 8.348 -11.935 -1.416 1.00 0.00 O ATOM 0 H ASP B 49 5.336 -12.178 -0.171 1.00 0.00 H new ATOM 0 HA ASP B 49 6.636 -13.575 2.062 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.781 -11.091 0.826 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.613 -12.463 1.534 1.00 0.00 H new ATOM 1518 N ILE B 50 4.976 -10.834 2.119 1.00 0.00 N ATOM 1519 CA ILE B 50 4.485 -9.770 2.974 1.00 0.00 C ATOM 1520 C ILE B 50 3.462 -10.336 3.937 1.00 0.00 C ATOM 1521 O ILE B 50 2.606 -11.125 3.547 1.00 0.00 O ATOM 1522 CB ILE B 50 3.869 -8.615 2.166 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.687 -8.367 0.898 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.803 -7.354 3.017 1.00 0.00 C ATOM 1525 CD1 ILE B 50 4.274 -7.130 0.141 1.00 0.00 C ATOM 0 H ILE B 50 4.447 -10.975 1.258 1.00 0.00 H new ATOM 0 HA ILE B 50 5.332 -9.361 3.524 1.00 0.00 H new ATOM 0 HB ILE B 50 2.854 -8.887 1.876 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.740 -8.283 1.167 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.594 -9.232 0.241 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.365 -6.544 2.434 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.188 -7.541 3.897 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.809 -7.073 3.330 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.899 -7.020 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.230 -7.219 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.394 -6.255 0.780 1.00 0.00 H new ATOM 1537 N LYS B 51 3.552 -9.958 5.199 1.00 0.00 N ATOM 1538 CA LYS B 51 2.631 -10.485 6.182 1.00 0.00 C ATOM 1539 C LYS B 51 1.645 -9.433 6.674 1.00 0.00 C ATOM 1540 O LYS B 51 0.512 -9.755 7.018 1.00 0.00 O ATOM 1541 CB LYS B 51 3.380 -11.037 7.387 1.00 0.00 C ATOM 1542 CG LYS B 51 2.563 -12.040 8.184 1.00 0.00 C ATOM 1543 CD LYS B 51 2.589 -11.733 9.670 1.00 0.00 C ATOM 1544 CE LYS B 51 1.586 -10.645 10.054 1.00 0.00 C ATOM 1545 NZ LYS B 51 0.214 -10.912 9.533 1.00 0.00 N ATOM 0 H LYS B 51 4.242 -9.299 5.561 1.00 0.00 H new ATOM 0 HA LYS B 51 2.078 -11.280 5.682 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.301 -11.513 7.049 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.668 -10.212 8.038 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.532 -12.033 7.829 1.00 0.00 H new ATOM 0 HG3 LYS B 51 2.952 -13.044 8.013 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.369 -12.642 10.231 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.592 -11.417 9.956 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.547 -10.561 11.140 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.934 -9.685 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.030 -10.199 8.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 0.184 -11.859 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.470 -10.865 10.315 1.00 0.00 H new ATOM 1559 N CYS B 52 2.079 -8.181 6.707 1.00 0.00 N ATOM 1560 CA CYS B 52 1.247 -7.105 7.228 1.00 0.00 C ATOM 1561 C CYS B 52 1.596 -5.781 6.562 1.00 0.00 C ATOM 1562 O CYS B 52 2.630 -5.670 5.903 1.00 0.00 O ATOM 1563 CB CYS B 52 1.490 -6.995 8.739 1.00 0.00 C ATOM 1564 SG CYS B 52 0.110 -6.327 9.690 1.00 0.00 S ATOM 0 H CYS B 52 2.999 -7.886 6.381 1.00 0.00 H new ATOM 0 HA CYS B 52 0.200 -7.326 7.021 1.00 0.00 H new ATOM 0 HB2 CYS B 52 1.732 -7.985 9.125 1.00 0.00 H new ATOM 0 HB3 CYS B 52 2.364 -6.366 8.906 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.402 -5.313 9.058 1.00 0.00 H new ATOM 1570 N GLN B 53 0.736 -4.782 6.726 1.00 0.00 N ATOM 1571 CA GLN B 53 1.009 -3.460 6.150 1.00 0.00 C ATOM 1572 C GLN B 53 0.369 -2.358 6.963 1.00 0.00 C ATOM 1573 O GLN B 53 -0.816 -2.354 7.179 1.00 0.00 O ATOM 1574 CB GLN B 53 0.581 -3.367 4.676 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.919 -3.360 4.445 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.463 -4.741 4.179 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.438 -5.214 3.053 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -1.969 -5.393 5.211 1.00 0.00 N ATOM 0 H GLN B 53 -0.141 -4.853 7.242 1.00 0.00 H new ATOM 0 HA GLN B 53 2.090 -3.325 6.184 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.004 -2.459 4.247 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.013 -4.208 4.134 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.417 -2.938 5.318 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.151 -2.711 3.600 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.971 -4.962 6.136 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.358 -6.327 5.083 1.00 0.00 H new ATOM 1587 N LYS B 54 1.157 -1.409 7.418 1.00 0.00 N ATOM 1588 CA LYS B 54 0.608 -0.325 8.202 1.00 0.00 C ATOM 1589 C LYS B 54 0.670 0.963 7.399 1.00 0.00 C ATOM 1590 O LYS B 54 1.463 1.085 6.473 1.00 0.00 O ATOM 1591 CB LYS B 54 1.339 -0.165 9.528 1.00 0.00 C ATOM 1592 CG LYS B 54 1.837 -1.447 10.174 1.00 0.00 C ATOM 1593 CD LYS B 54 2.645 -1.116 11.428 1.00 0.00 C ATOM 1594 CE LYS B 54 2.562 -2.205 12.488 1.00 0.00 C ATOM 1595 NZ LYS B 54 2.486 -1.630 13.865 1.00 0.00 N ATOM 0 H LYS B 54 2.164 -1.365 7.262 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.431 -0.560 8.433 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.192 0.495 9.372 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.672 0.336 10.229 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.993 -2.086 10.433 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.454 -2.004 9.469 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.688 -0.963 11.152 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.285 -0.177 11.849 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.685 -2.826 12.304 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.434 -2.854 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.550 -2.396 14.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.272 -0.964 14.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.582 -1.129 13.982 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.160 1.922 7.757 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.228 3.183 7.031 1.00 0.00 C ATOM 1611 C ILE B 55 -0.075 4.380 7.965 1.00 0.00 C ATOM 1612 O ILE B 55 -0.693 4.421 9.015 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.589 3.271 6.320 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.710 3.294 7.370 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.756 2.088 5.381 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.934 2.499 7.009 1.00 0.00 C ATOM 0 H ILE B 55 -0.800 1.856 8.548 1.00 0.00 H new ATOM 0 HA ILE B 55 0.591 3.210 6.312 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.639 4.187 5.731 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.313 2.915 8.312 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.005 4.329 7.542 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.722 2.155 4.880 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.959 2.099 4.637 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.707 1.161 5.952 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.668 2.576 7.811 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.363 2.890 6.086 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.660 1.453 6.868 1.00 0.00 H new ATOM 1628 N SER B 56 0.750 5.353 7.609 1.00 0.00 N ATOM 1629 CA SER B 56 0.903 6.518 8.459 1.00 0.00 C ATOM 1630 C SER B 56 -0.306 7.413 8.260 1.00 0.00 C ATOM 1631 O SER B 56 -0.513 7.964 7.161 1.00 0.00 O ATOM 1632 CB SER B 56 2.204 7.277 8.190 1.00 0.00 C ATOM 1633 OG SER B 56 2.049 8.230 7.160 1.00 0.00 O ATOM 0 H SER B 56 1.311 5.359 6.757 1.00 0.00 H new ATOM 0 HA SER B 56 0.963 6.190 9.497 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.529 7.777 9.102 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.988 6.570 7.917 1.00 0.00 H new ATOM 0 HG SER B 56 2.885 8.730 7.048 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.115 7.522 9.327 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.362 8.297 9.360 1.00 0.00 C ATOM 1641 C PRO B 57 -2.173 9.793 9.180 1.00 0.00 C ATOM 1642 O PRO B 57 -1.063 10.326 9.297 1.00 0.00 O ATOM 1643 CB PRO B 57 -2.909 8.022 10.769 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.712 7.637 11.566 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.857 6.870 10.620 1.00 0.00 C ATOM 0 HA PRO B 57 -3.015 8.002 8.539 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.396 8.904 11.185 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.652 7.224 10.758 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.191 8.515 11.947 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -1.989 7.031 12.429 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.196 6.924 10.895 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.127 5.814 10.599 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.287 10.452 8.899 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.329 11.888 8.721 1.00 0.00 C ATOM 1655 C GLU B 58 -2.983 12.570 10.034 1.00 0.00 C ATOM 1656 O GLU B 58 -3.131 11.988 11.112 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.708 12.345 8.212 1.00 0.00 C ATOM 1658 CG GLU B 58 -5.864 11.431 8.604 1.00 0.00 C ATOM 1659 CD GLU B 58 -5.975 10.203 7.714 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -6.637 10.277 6.666 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -5.374 9.163 8.061 1.00 0.00 O ATOM 0 H GLU B 58 -4.193 9.997 8.788 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.595 12.171 7.967 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.908 13.346 8.594 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.673 12.419 7.125 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.735 11.113 9.639 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.797 11.993 8.557 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.508 13.792 9.942 1.00 0.00 N ATOM 1669 CA GLY B 59 -2.100 14.517 11.121 1.00 0.00 C ATOM 1670 C GLY B 59 -0.606 14.682 11.101 1.00 0.00 C ATOM 1671 O GLY B 59 -0.054 15.622 11.669 1.00 0.00 O ATOM 0 H GLY B 59 -2.396 14.302 9.066 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.586 15.492 11.150 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -2.408 13.980 12.018 1.00 0.00 H new ATOM 1675 N LYS B 60 0.046 13.737 10.436 1.00 0.00 N ATOM 1676 CA LYS B 60 1.483 13.771 10.274 1.00 0.00 C ATOM 1677 C LYS B 60 1.807 14.646 9.073 1.00 0.00 C ATOM 1678 O LYS B 60 0.923 14.957 8.274 1.00 0.00 O ATOM 1679 CB LYS B 60 2.042 12.359 10.063 1.00 0.00 C ATOM 1680 CG LYS B 60 1.968 11.473 11.296 1.00 0.00 C ATOM 1681 CD LYS B 60 2.414 10.049 10.987 1.00 0.00 C ATOM 1682 CE LYS B 60 2.306 9.148 12.208 1.00 0.00 C ATOM 1683 NZ LYS B 60 0.985 9.281 12.881 1.00 0.00 N ATOM 0 H LYS B 60 -0.407 12.934 9.999 1.00 0.00 H new ATOM 0 HA LYS B 60 1.942 14.179 11.175 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.494 11.880 9.251 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.082 12.435 9.745 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.596 11.890 12.083 1.00 0.00 H new ATOM 0 HG3 LYS B 60 0.947 11.461 11.676 1.00 0.00 H new ATOM 0 HD2 LYS B 60 1.803 9.643 10.180 1.00 0.00 H new ATOM 0 HD3 LYS B 60 3.445 10.059 10.632 1.00 0.00 H new ATOM 0 HE2 LYS B 60 2.458 8.111 11.909 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.099 9.396 12.913 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 1.127 9.555 13.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 0.421 10.010 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.482 8.372 12.841 1.00 0.00 H new ATOM 1697 N ALA B 61 3.063 15.029 8.936 1.00 0.00 N ATOM 1698 CA ALA B 61 3.484 15.870 7.823 1.00 0.00 C ATOM 1699 C ALA B 61 3.517 15.087 6.514 1.00 0.00 C ATOM 1700 O ALA B 61 3.776 15.650 5.453 1.00 0.00 O ATOM 1701 CB ALA B 61 4.849 16.479 8.108 1.00 0.00 C ATOM 0 H ALA B 61 3.812 14.773 9.580 1.00 0.00 H new ATOM 0 HA ALA B 61 2.753 16.671 7.715 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.151 17.105 7.268 1.00 0.00 H new ATOM 0 HB2 ALA B 61 4.795 17.086 9.012 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.580 15.683 8.249 1.00 0.00 H new ATOM 1707 N LYS B 62 3.260 13.787 6.593 1.00 0.00 N ATOM 1708 CA LYS B 62 3.289 12.938 5.414 1.00 0.00 C ATOM 1709 C LYS B 62 2.403 11.704 5.578 1.00 0.00 C ATOM 1710 O LYS B 62 2.291 11.144 6.670 1.00 0.00 O ATOM 1711 CB LYS B 62 4.731 12.505 5.145 1.00 0.00 C ATOM 1712 CG LYS B 62 5.410 11.899 6.365 1.00 0.00 C ATOM 1713 CD LYS B 62 6.895 11.677 6.141 1.00 0.00 C ATOM 1714 CE LYS B 62 7.646 12.992 6.097 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.113 12.793 6.144 1.00 0.00 N ATOM 0 H LYS B 62 3.030 13.301 7.460 1.00 0.00 H new ATOM 0 HA LYS B 62 2.900 13.512 4.573 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.740 11.778 4.333 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.306 13.367 4.807 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.268 12.557 7.223 1.00 0.00 H new ATOM 0 HG3 LYS B 62 4.935 10.949 6.609 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.296 11.053 6.939 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.048 11.137 5.207 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.382 13.530 5.187 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.337 13.615 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.590 13.717 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.369 12.302 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.412 12.221 5.329 1.00 0.00 H new ATOM 1729 N ILE B 63 1.764 11.308 4.484 1.00 0.00 N ATOM 1730 CA ILE B 63 0.918 10.120 4.455 1.00 0.00 C ATOM 1731 C ILE B 63 1.752 8.989 3.867 1.00 0.00 C ATOM 1732 O ILE B 63 2.301 9.134 2.775 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.358 10.347 3.609 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.355 11.231 4.365 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.008 9.027 3.235 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.217 12.708 4.059 1.00 0.00 C ATOM 0 H ILE B 63 1.817 11.800 3.592 1.00 0.00 H new ATOM 0 HA ILE B 63 0.583 9.878 5.464 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.064 10.855 2.691 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.368 10.912 4.120 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.223 11.078 5.436 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.902 9.217 2.641 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.307 8.428 2.654 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.282 8.487 4.141 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.956 13.269 4.631 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -0.216 13.044 4.331 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.379 12.876 2.994 1.00 0.00 H new ATOM 1748 N GLN B 64 1.870 7.869 4.572 1.00 0.00 N ATOM 1749 CA GLN B 64 2.737 6.791 4.084 1.00 0.00 C ATOM 1750 C GLN B 64 2.176 5.391 4.312 1.00 0.00 C ATOM 1751 O GLN B 64 1.157 5.207 4.974 1.00 0.00 O ATOM 1752 CB GLN B 64 4.110 6.871 4.754 1.00 0.00 C ATOM 1753 CG GLN B 64 4.710 8.259 4.843 1.00 0.00 C ATOM 1754 CD GLN B 64 5.401 8.480 6.169 1.00 0.00 C ATOM 1755 OE1 GLN B 64 4.656 8.972 7.136 1.00 0.00 O flip ATOM 1756 NE2 GLN B 64 6.585 8.199 6.328 1.00 0.00 N flip ATOM 0 H GLN B 64 1.395 7.682 5.455 1.00 0.00 H new ATOM 0 HA GLN B 64 2.809 6.944 3.007 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.028 6.464 5.762 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.801 6.230 4.206 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.424 8.401 4.032 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.926 9.005 4.711 1.00 0.00 H new ATOM 0 HE21 GLN B 64 7.128 7.819 5.552 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.026 8.345 7.236 1.00 0.00 H new ATOM 1765 N LEU B 65 2.867 4.413 3.723 1.00 0.00 N ATOM 1766 CA LEU B 65 2.528 2.999 3.827 1.00 0.00 C ATOM 1767 C LEU B 65 3.776 2.163 4.157 1.00 0.00 C ATOM 1768 O LEU B 65 4.733 2.166 3.387 1.00 0.00 O ATOM 1769 CB LEU B 65 1.987 2.530 2.489 1.00 0.00 C ATOM 1770 CG LEU B 65 1.586 1.061 2.434 1.00 0.00 C ATOM 1771 CD1 LEU B 65 0.125 0.877 2.803 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.888 0.485 1.063 1.00 0.00 C ATOM 0 H LEU B 65 3.693 4.589 3.150 1.00 0.00 H new ATOM 0 HA LEU B 65 1.790 2.873 4.619 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.119 3.138 2.232 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.742 2.714 1.725 1.00 0.00 H new ATOM 0 HG LEU B 65 2.176 0.515 3.170 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.132 -0.181 2.755 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.044 1.246 3.815 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.500 1.434 2.105 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.597 -0.565 1.037 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.329 1.035 0.306 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.955 0.571 0.859 1.00 0.00 H new ATOM 1784 N GLN B 66 3.792 1.475 5.301 1.00 0.00 N ATOM 1785 CA GLN B 66 4.933 0.632 5.644 1.00 0.00 C ATOM 1786 C GLN B 66 4.566 -0.842 5.472 1.00 0.00 C ATOM 1787 O GLN B 66 3.545 -1.311 5.983 1.00 0.00 O ATOM 1788 CB GLN B 66 5.457 0.908 7.059 1.00 0.00 C ATOM 1789 CG GLN B 66 4.729 0.184 8.179 1.00 0.00 C ATOM 1790 CD GLN B 66 5.658 -0.200 9.318 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.380 -1.128 10.074 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.774 0.500 9.440 1.00 0.00 N ATOM 0 H GLN B 66 3.042 1.485 5.992 1.00 0.00 H new ATOM 0 HA GLN B 66 5.744 0.878 4.959 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.511 0.633 7.097 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.400 1.980 7.246 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.932 0.821 8.562 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.256 -0.714 7.781 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.970 1.264 8.793 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.438 0.276 10.181 1.00 0.00 H new ATOM 1801 N LEU B 67 5.382 -1.560 4.723 1.00 0.00 N ATOM 1802 CA LEU B 67 5.154 -2.975 4.476 1.00 0.00 C ATOM 1803 C LEU B 67 5.900 -3.821 5.492 1.00 0.00 C ATOM 1804 O LEU B 67 7.101 -3.671 5.660 1.00 0.00 O ATOM 1805 CB LEU B 67 5.621 -3.355 3.069 1.00 0.00 C ATOM 1806 CG LEU B 67 4.850 -2.709 1.922 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.440 -3.131 0.588 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.377 -3.080 1.997 1.00 0.00 C ATOM 0 H LEU B 67 6.216 -1.184 4.271 1.00 0.00 H new ATOM 0 HA LEU B 67 4.084 -3.163 4.566 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.674 -3.089 2.971 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.554 -4.438 2.963 1.00 0.00 H new ATOM 0 HG LEU B 67 4.935 -1.626 2.011 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.880 -2.663 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.483 -2.819 0.536 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.381 -4.215 0.491 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.841 -2.611 1.172 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.271 -4.163 1.930 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.962 -2.732 2.943 1.00 0.00 H new ATOM 1820 N VAL B 68 5.185 -4.696 6.171 1.00 0.00 N ATOM 1821 CA VAL B 68 5.793 -5.579 7.154 1.00 0.00 C ATOM 1822 C VAL B 68 5.884 -6.984 6.579 1.00 0.00 C ATOM 1823 O VAL B 68 4.882 -7.702 6.485 1.00 0.00 O ATOM 1824 CB VAL B 68 4.984 -5.614 8.471 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.567 -6.629 9.447 1.00 0.00 C ATOM 1826 CG2 VAL B 68 4.930 -4.234 9.104 1.00 0.00 C ATOM 0 H VAL B 68 4.178 -4.817 6.061 1.00 0.00 H new ATOM 0 HA VAL B 68 6.788 -5.196 7.382 1.00 0.00 H new ATOM 0 HB VAL B 68 3.967 -5.924 8.231 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.978 -6.632 10.364 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.543 -7.622 8.997 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.598 -6.361 9.679 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.356 -4.280 10.030 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.942 -3.894 9.321 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.453 -3.536 8.416 1.00 0.00 H new ATOM 1836 N LEU B 69 7.075 -7.371 6.168 1.00 0.00 N ATOM 1837 CA LEU B 69 7.277 -8.687 5.598 1.00 0.00 C ATOM 1838 C LEU B 69 7.481 -9.696 6.716 1.00 0.00 C ATOM 1839 O LEU B 69 8.117 -9.387 7.724 1.00 0.00 O ATOM 1840 CB LEU B 69 8.468 -8.702 4.639 1.00 0.00 C ATOM 1841 CG LEU B 69 8.461 -7.615 3.559 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.212 -8.076 2.327 1.00 0.00 C ATOM 1843 CD2 LEU B 69 7.054 -7.215 3.169 1.00 0.00 C ATOM 0 H LEU B 69 7.915 -6.795 6.218 1.00 0.00 H new ATOM 0 HA LEU B 69 6.391 -8.956 5.023 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.383 -8.603 5.223 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.506 -9.675 4.150 1.00 0.00 H new ATOM 0 HG LEU B 69 8.960 -6.744 3.984 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.194 -7.288 1.574 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.245 -8.300 2.593 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.738 -8.972 1.926 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.095 -6.442 2.401 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.523 -8.084 2.781 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.530 -6.830 4.044 1.00 0.00 H new ATOM 1855 N HIS B 70 6.967 -10.907 6.541 1.00 0.00 N ATOM 1856 CA HIS B 70 7.099 -11.940 7.569 1.00 0.00 C ATOM 1857 C HIS B 70 8.504 -12.537 7.565 1.00 0.00 C ATOM 1858 O HIS B 70 8.783 -13.512 8.265 1.00 0.00 O ATOM 1859 CB HIS B 70 6.035 -13.039 7.406 1.00 0.00 C ATOM 1860 CG HIS B 70 5.793 -13.468 5.994 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.591 -13.347 5.338 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.634 -14.039 5.110 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.751 -13.844 4.108 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.971 -14.286 3.932 1.00 0.00 N ATOM 0 H HIS B 70 6.459 -11.199 5.706 1.00 0.00 H new ATOM 0 HA HIS B 70 6.934 -11.464 8.536 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.338 -13.909 7.989 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.096 -12.683 7.829 1.00 0.00 H new ATOM 0 HD1 HIS B 70 3.733 -12.950 5.721 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.672 -14.268 5.299 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.975 -13.877 3.357 1.00 0.00 H new ATOM 1872 N ALA B 71 9.377 -11.945 6.762 1.00 0.00 N ATOM 1873 CA ALA B 71 10.763 -12.372 6.667 1.00 0.00 C ATOM 1874 C ALA B 71 11.632 -11.525 7.588 1.00 0.00 C ATOM 1875 O ALA B 71 12.823 -11.780 7.752 1.00 0.00 O ATOM 1876 CB ALA B 71 11.249 -12.257 5.229 1.00 0.00 C ATOM 0 H ALA B 71 9.143 -11.156 6.159 1.00 0.00 H new ATOM 0 HA ALA B 71 10.835 -13.415 6.977 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.289 -12.579 5.169 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.636 -12.888 4.586 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.171 -11.221 4.900 1.00 0.00 H new ATOM 1882 N GLY B 72 11.018 -10.510 8.190 1.00 0.00 N ATOM 1883 CA GLY B 72 11.739 -9.626 9.084 1.00 0.00 C ATOM 1884 C GLY B 72 12.183 -8.353 8.394 1.00 0.00 C ATOM 1885 O GLY B 72 13.211 -7.777 8.740 1.00 0.00 O ATOM 0 H GLY B 72 10.030 -10.285 8.073 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.104 -9.374 9.934 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.611 -10.146 9.481 1.00 0.00 H new ATOM 1889 N ASP B 73 11.396 -7.912 7.421 1.00 0.00 N ATOM 1890 CA ASP B 73 11.711 -6.703 6.668 1.00 0.00 C ATOM 1891 C ASP B 73 10.524 -5.744 6.671 1.00 0.00 C ATOM 1892 O ASP B 73 9.375 -6.169 6.805 1.00 0.00 O ATOM 1893 CB ASP B 73 12.096 -7.061 5.227 1.00 0.00 C ATOM 1894 CG ASP B 73 12.229 -5.838 4.334 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.990 -4.917 4.698 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.564 -5.796 3.278 1.00 0.00 O ATOM 0 H ASP B 73 10.533 -8.374 7.134 1.00 0.00 H new ATOM 0 HA ASP B 73 12.556 -6.209 7.147 1.00 0.00 H new ATOM 0 HB2 ASP B 73 13.040 -7.606 5.232 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.344 -7.730 4.810 1.00 0.00 H new ATOM 1901 N THR B 74 10.808 -4.458 6.533 1.00 0.00 N ATOM 1902 CA THR B 74 9.779 -3.436 6.502 1.00 0.00 C ATOM 1903 C THR B 74 10.111 -2.398 5.432 1.00 0.00 C ATOM 1904 O THR B 74 11.228 -1.883 5.383 1.00 0.00 O ATOM 1905 CB THR B 74 9.631 -2.735 7.869 1.00 0.00 C ATOM 1906 OG1 THR B 74 10.922 -2.549 8.466 1.00 0.00 O ATOM 1907 CG2 THR B 74 8.744 -3.540 8.807 1.00 0.00 C ATOM 0 H THR B 74 11.757 -4.096 6.440 1.00 0.00 H new ATOM 0 HA THR B 74 8.833 -3.925 6.267 1.00 0.00 H new ATOM 0 HB THR B 74 9.162 -1.765 7.702 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.821 -2.102 9.332 1.00 0.00 H new ATOM 0 HG21 THR B 74 8.659 -3.021 9.762 1.00 0.00 H new ATOM 0 HG22 THR B 74 7.754 -3.652 8.365 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.183 -4.525 8.967 1.00 0.00 H new ATOM 1915 N THR B 75 9.138 -2.080 4.593 1.00 0.00 N ATOM 1916 CA THR B 75 9.344 -1.115 3.525 1.00 0.00 C ATOM 1917 C THR B 75 8.487 0.133 3.727 1.00 0.00 C ATOM 1918 O THR B 75 7.262 0.066 3.677 1.00 0.00 O ATOM 1919 CB THR B 75 9.008 -1.743 2.162 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.258 -3.155 2.199 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.837 -1.106 1.056 1.00 0.00 C ATOM 0 H THR B 75 8.199 -2.476 4.631 1.00 0.00 H new ATOM 0 HA THR B 75 10.394 -0.824 3.547 1.00 0.00 H new ATOM 0 HB THR B 75 7.953 -1.566 1.953 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.760 -3.594 1.478 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.583 -1.565 0.101 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.626 -0.038 1.012 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.897 -1.258 1.262 1.00 0.00 H new ATOM 1929 N ASN B 76 9.134 1.268 3.954 1.00 0.00 N ATOM 1930 CA ASN B 76 8.426 2.530 4.165 1.00 0.00 C ATOM 1931 C ASN B 76 8.204 3.261 2.844 1.00 0.00 C ATOM 1932 O ASN B 76 9.161 3.592 2.144 1.00 0.00 O ATOM 1933 CB ASN B 76 9.217 3.438 5.105 1.00 0.00 C ATOM 1934 CG ASN B 76 8.979 3.130 6.565 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.683 1.998 6.942 1.00 0.00 O ATOM 1936 ND2 ASN B 76 9.098 4.149 7.391 1.00 0.00 N ATOM 0 H ASN B 76 10.150 1.344 3.997 1.00 0.00 H new ATOM 0 HA ASN B 76 7.460 2.293 4.610 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.280 3.338 4.887 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.948 4.476 4.910 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.942 4.016 8.390 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.346 5.071 7.031 1.00 0.00 H new ATOM 1943 N PHE B 77 6.946 3.500 2.500 1.00 0.00 N ATOM 1944 CA PHE B 77 6.606 4.213 1.273 1.00 0.00 C ATOM 1945 C PHE B 77 5.879 5.517 1.595 1.00 0.00 C ATOM 1946 O PHE B 77 4.714 5.506 1.986 1.00 0.00 O ATOM 1947 CB PHE B 77 5.732 3.342 0.366 1.00 0.00 C ATOM 1948 CG PHE B 77 6.492 2.277 -0.375 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.621 2.598 -1.113 1.00 0.00 C ATOM 1950 CD2 PHE B 77 6.071 0.957 -0.340 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.315 1.621 -1.800 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.764 -0.023 -1.025 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.887 0.309 -1.757 1.00 0.00 C ATOM 0 H PHE B 77 6.140 3.210 3.054 1.00 0.00 H new ATOM 0 HA PHE B 77 7.533 4.445 0.749 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.958 2.868 0.970 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.225 3.982 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.961 3.622 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.192 0.691 0.229 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.193 1.884 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.427 -1.049 -0.988 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.429 -0.455 -2.294 1.00 0.00 H new ATOM 1963 N HIS B 78 6.579 6.630 1.438 1.00 0.00 N ATOM 1964 CA HIS B 78 6.019 7.950 1.707 1.00 0.00 C ATOM 1965 C HIS B 78 5.335 8.493 0.453 1.00 0.00 C ATOM 1966 O HIS B 78 5.978 8.723 -0.570 1.00 0.00 O ATOM 1967 CB HIS B 78 7.156 8.875 2.196 1.00 0.00 C ATOM 1968 CG HIS B 78 6.869 10.356 2.246 1.00 0.00 C ATOM 1969 ND1 HIS B 78 7.798 11.281 2.672 1.00 0.00 N ATOM 1970 CD2 HIS B 78 5.770 11.073 1.894 1.00 0.00 C ATOM 1971 CE1 HIS B 78 7.251 12.497 2.563 1.00 0.00 C ATOM 1972 NE2 HIS B 78 6.022 12.427 2.096 1.00 0.00 N ATOM 0 H HIS B 78 7.549 6.646 1.122 1.00 0.00 H new ATOM 0 HA HIS B 78 5.259 7.894 2.486 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.446 8.553 3.196 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.019 8.720 1.549 1.00 0.00 H new ATOM 0 HD2 HIS B 78 4.847 10.658 1.517 1.00 0.00 H new ATOM 0 HE1 HIS B 78 7.753 13.417 2.824 1.00 0.00 H new ATOM 0 HE2 HIS B 78 5.386 13.204 1.919 1.00 0.00 H new ATOM 1980 N PHE B 79 4.026 8.686 0.534 1.00 0.00 N ATOM 1981 CA PHE B 79 3.264 9.208 -0.591 1.00 0.00 C ATOM 1982 C PHE B 79 3.428 10.721 -0.671 1.00 0.00 C ATOM 1983 O PHE B 79 2.717 11.472 -0.006 1.00 0.00 O ATOM 1984 CB PHE B 79 1.781 8.847 -0.458 1.00 0.00 C ATOM 1985 CG PHE B 79 1.509 7.369 -0.461 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.589 6.640 -1.636 1.00 0.00 C ATOM 1987 CD2 PHE B 79 1.170 6.709 0.709 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.337 5.281 -1.644 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.916 5.352 0.706 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.999 4.636 -0.472 1.00 0.00 C ATOM 0 H PHE B 79 3.470 8.489 1.366 1.00 0.00 H new ATOM 0 HA PHE B 79 3.646 8.756 -1.506 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.395 9.275 0.467 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.230 9.309 -1.277 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.851 7.139 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.104 7.262 1.634 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.405 4.724 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.652 4.850 1.625 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.800 3.575 -0.476 1.00 0.00 H new ATOM 2000 N SER B 80 4.375 11.161 -1.487 1.00 0.00 N ATOM 2001 CA SER B 80 4.650 12.581 -1.652 1.00 0.00 C ATOM 2002 C SER B 80 3.782 13.188 -2.753 1.00 0.00 C ATOM 2003 O SER B 80 4.143 14.193 -3.366 1.00 0.00 O ATOM 2004 CB SER B 80 6.132 12.785 -1.969 1.00 0.00 C ATOM 2005 OG SER B 80 6.596 11.813 -2.895 1.00 0.00 O ATOM 0 H SER B 80 4.969 10.551 -2.048 1.00 0.00 H new ATOM 0 HA SER B 80 4.407 13.090 -0.719 1.00 0.00 H new ATOM 0 HB2 SER B 80 6.285 13.784 -2.378 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.715 12.724 -1.050 1.00 0.00 H new ATOM 0 HG SER B 80 5.835 11.441 -3.388 1.00 0.00 H new ATOM 2011 N ASN B 81 2.643 12.567 -3.010 1.00 0.00 N ATOM 2012 CA ASN B 81 1.727 13.054 -4.025 1.00 0.00 C ATOM 2013 C ASN B 81 0.573 13.791 -3.362 1.00 0.00 C ATOM 2014 O ASN B 81 -0.435 13.192 -3.016 1.00 0.00 O ATOM 2015 CB ASN B 81 1.201 11.894 -4.874 1.00 0.00 C ATOM 2016 CG ASN B 81 0.446 12.368 -6.099 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.753 13.420 -6.666 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.544 11.599 -6.517 1.00 0.00 N ATOM 0 H ASN B 81 2.331 11.724 -2.529 1.00 0.00 H new ATOM 0 HA ASN B 81 2.260 13.742 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN B 81 2.037 11.268 -5.186 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.546 11.271 -4.266 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.087 11.868 -7.338 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -0.765 10.737 -6.019 1.00 0.00 H new ATOM 2025 N GLU B 82 0.732 15.097 -3.199 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.279 15.947 -2.559 1.00 0.00 C ATOM 2027 C GLU B 82 -1.672 15.761 -3.171 1.00 0.00 C ATOM 2028 O GLU B 82 -2.686 15.872 -2.477 1.00 0.00 O ATOM 2029 CB GLU B 82 0.149 17.424 -2.640 1.00 0.00 C ATOM 2030 CG GLU B 82 0.118 18.031 -4.044 1.00 0.00 C ATOM 2031 CD GLU B 82 0.931 17.245 -5.056 1.00 0.00 C ATOM 2032 OE1 GLU B 82 2.175 17.270 -4.987 1.00 0.00 O ATOM 2033 OE2 GLU B 82 0.327 16.563 -5.909 1.00 0.00 O ATOM 0 H GLU B 82 1.563 15.603 -3.504 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.347 15.643 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.502 18.011 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.160 17.516 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.916 18.088 -4.385 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.496 19.052 -3.999 1.00 0.00 H new ATOM 2040 N SER B 83 -1.709 15.462 -4.462 1.00 0.00 N ATOM 2041 CA SER B 83 -2.956 15.272 -5.183 1.00 0.00 C ATOM 2042 C SER B 83 -3.819 14.151 -4.592 1.00 0.00 C ATOM 2043 O SER B 83 -4.977 14.380 -4.220 1.00 0.00 O ATOM 2044 CB SER B 83 -2.660 14.982 -6.656 1.00 0.00 C ATOM 2045 OG SER B 83 -1.885 16.019 -7.239 1.00 0.00 O ATOM 0 H SER B 83 -0.875 15.345 -5.037 1.00 0.00 H new ATOM 0 HA SER B 83 -3.527 16.195 -5.088 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.128 14.035 -6.743 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.596 14.873 -7.203 1.00 0.00 H new ATOM 0 HG SER B 83 -0.995 16.033 -6.828 1.00 0.00 H new ATOM 2051 N THR B 84 -3.274 12.946 -4.483 1.00 0.00 N ATOM 2052 CA THR B 84 -4.059 11.827 -3.979 1.00 0.00 C ATOM 2053 C THR B 84 -3.339 10.978 -2.929 1.00 0.00 C ATOM 2054 O THR B 84 -3.727 9.841 -2.720 1.00 0.00 O ATOM 2055 CB THR B 84 -4.484 10.915 -5.145 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.503 10.976 -6.185 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.841 11.325 -5.699 1.00 0.00 C ATOM 0 H THR B 84 -2.311 12.721 -4.731 1.00 0.00 H new ATOM 0 HA THR B 84 -4.923 12.274 -3.488 1.00 0.00 H new ATOM 0 HB THR B 84 -4.563 9.895 -4.769 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.678 10.543 -5.882 1.00 0.00 H new ATOM 0 HG21 THR B 84 -6.114 10.663 -6.521 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.592 11.255 -4.912 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.791 12.352 -6.062 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.344 11.538 -2.244 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.578 10.800 -1.222 1.00 0.00 C ATOM 2067 C ALA B 85 -2.470 9.973 -0.297 1.00 0.00 C ATOM 2068 O ALA B 85 -2.308 8.759 -0.185 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.740 11.762 -0.392 1.00 0.00 C ATOM 0 H ALA B 85 -2.043 12.504 -2.374 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.930 10.107 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.180 11.203 0.358 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.045 12.293 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.394 12.480 0.104 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.410 10.639 0.360 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.326 9.977 1.285 1.00 0.00 C ATOM 2077 C VAL B 86 -5.178 8.925 0.571 1.00 0.00 C ATOM 2078 O VAL B 86 -5.337 7.804 1.051 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.264 11.002 1.956 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.993 10.374 3.130 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.491 12.235 2.400 1.00 0.00 C ATOM 0 H VAL B 86 -3.560 11.644 0.270 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.714 9.487 2.042 1.00 0.00 H new ATOM 0 HB VAL B 86 -6.006 11.314 1.221 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.649 11.114 3.589 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.587 9.530 2.780 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -5.267 10.027 3.865 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.174 12.943 2.870 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.721 11.944 3.115 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.023 12.703 1.534 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.690 9.296 -0.594 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.548 8.415 -1.379 1.00 0.00 C ATOM 2093 C LYS B 87 -5.781 7.188 -1.875 1.00 0.00 C ATOM 2094 O LYS B 87 -6.249 6.058 -1.737 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.145 9.185 -2.561 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.921 10.434 -2.154 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.083 11.698 -2.304 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.954 12.936 -2.464 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.145 14.181 -2.613 1.00 0.00 N ATOM 0 H LYS B 87 -5.525 10.208 -1.020 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.355 8.064 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.341 9.473 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.808 8.522 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.819 10.519 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.249 10.337 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.442 11.815 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.428 11.600 -3.170 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.596 12.816 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.608 13.032 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.767 14.968 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.681 14.404 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.422 14.039 -3.347 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.603 7.420 -2.443 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.765 6.343 -2.949 1.00 0.00 C ATOM 2115 C GLU B 88 -3.371 5.411 -1.809 1.00 0.00 C ATOM 2116 O GLU B 88 -3.375 4.193 -1.966 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.517 6.911 -3.641 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.799 7.503 -5.019 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.668 8.375 -5.544 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.565 9.545 -5.109 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -0.897 7.910 -6.408 1.00 0.00 O ATOM 0 H GLU B 88 -4.206 8.352 -2.564 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.331 5.773 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.079 7.681 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.774 6.119 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.980 6.692 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.713 8.095 -4.972 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.070 5.998 -0.650 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.682 5.234 0.535 1.00 0.00 C ATOM 2130 C ARG B 89 -3.706 4.155 0.864 1.00 0.00 C ATOM 2131 O ARG B 89 -3.361 2.985 1.026 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.535 6.160 1.748 1.00 0.00 C ATOM 2133 CG ARG B 89 -2.378 5.413 3.069 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.729 6.289 4.265 1.00 0.00 C ATOM 2135 NE ARG B 89 -4.162 6.578 4.352 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.707 7.389 5.260 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -3.951 7.988 6.171 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -6.015 7.592 5.267 1.00 0.00 N ATOM 0 H ARG B 89 -3.088 7.008 -0.507 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.727 4.759 0.312 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.669 6.805 1.600 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.409 6.808 1.808 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -3.019 4.531 3.065 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.351 5.061 3.167 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.406 5.793 5.181 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.177 7.226 4.198 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.782 6.131 3.676 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.943 7.830 6.181 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.377 8.606 6.861 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -6.607 7.128 4.578 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -6.431 8.212 5.962 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.965 4.556 0.955 1.00 0.00 N ATOM 2153 CA ASP B 90 -6.035 3.632 1.301 1.00 0.00 C ATOM 2154 C ASP B 90 -6.321 2.623 0.201 1.00 0.00 C ATOM 2155 O ASP B 90 -6.707 1.492 0.491 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.306 4.391 1.666 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.361 4.694 3.146 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.790 3.806 3.915 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -6.946 5.799 3.542 1.00 0.00 O ATOM 0 H ASP B 90 -5.271 5.516 0.794 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.691 3.069 2.168 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.351 5.322 1.100 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.178 3.802 1.381 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.092 3.003 -1.050 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.346 2.099 -2.160 1.00 0.00 C ATOM 2166 C ALA B 91 -5.275 1.032 -2.176 1.00 0.00 C ATOM 2167 O ALA B 91 -5.547 -0.146 -2.405 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.390 2.848 -3.478 1.00 0.00 C ATOM 0 H ALA B 91 -5.735 3.920 -1.318 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.321 1.631 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.581 2.146 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.186 3.592 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.435 3.345 -3.646 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.051 1.466 -1.918 1.00 0.00 N ATOM 2175 CA VAL B 92 -2.920 0.568 -1.848 1.00 0.00 C ATOM 2176 C VAL B 92 -3.109 -0.355 -0.653 1.00 0.00 C ATOM 2177 O VAL B 92 -2.893 -1.558 -0.740 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.599 1.351 -1.697 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.439 0.414 -1.458 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.337 2.206 -2.921 1.00 0.00 C ATOM 0 H VAL B 92 -3.819 2.446 -1.753 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.864 -0.009 -2.771 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.697 2.005 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.480 0.991 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.614 -0.156 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.345 -0.271 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.401 2.749 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.268 1.568 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.153 2.917 -3.050 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.538 0.245 0.452 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.801 -0.468 1.696 1.00 0.00 C ATOM 2192 C LYS B 93 -4.740 -1.639 1.457 1.00 0.00 C ATOM 2193 O LYS B 93 -4.410 -2.790 1.744 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.434 0.497 2.705 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.712 -0.112 4.068 1.00 0.00 C ATOM 2196 CD LYS B 93 -6.148 -0.613 4.205 1.00 0.00 C ATOM 2197 CE LYS B 93 -7.111 0.504 4.588 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.637 1.230 3.402 1.00 0.00 N ATOM 0 H LYS B 93 -3.714 1.248 0.510 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.859 -0.854 2.086 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.774 1.355 2.832 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.370 0.873 2.291 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.024 -0.940 4.239 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.515 0.631 4.841 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.467 -1.059 3.263 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.187 -1.399 4.959 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.944 0.085 5.153 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.603 1.209 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.029 2.146 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.866 1.389 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.384 0.664 2.952 1.00 0.00 H new ATOM 2212 N ASP B 94 -5.910 -1.316 0.933 1.00 0.00 N ATOM 2213 CA ASP B 94 -6.938 -2.309 0.643 1.00 0.00 C ATOM 2214 C ASP B 94 -6.444 -3.364 -0.327 1.00 0.00 C ATOM 2215 O ASP B 94 -6.472 -4.551 -0.016 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.193 -1.632 0.086 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.183 -1.263 1.172 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -9.019 -0.190 1.790 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.120 -2.049 1.409 1.00 0.00 O ATOM 0 H ASP B 94 -6.177 -0.360 0.696 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.184 -2.807 1.581 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.905 -0.733 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.675 -2.299 -0.629 1.00 0.00 H new ATOM 2224 N LEU B 95 -5.974 -2.932 -1.490 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.487 -3.858 -2.506 1.00 0.00 C ATOM 2226 C LEU B 95 -4.413 -4.781 -1.938 1.00 0.00 C ATOM 2227 O LEU B 95 -4.431 -5.987 -2.183 1.00 0.00 O ATOM 2228 CB LEU B 95 -4.941 -3.093 -3.713 1.00 0.00 C ATOM 2229 CG LEU B 95 -4.866 -3.901 -5.010 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.257 -4.320 -5.464 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.173 -3.099 -6.098 1.00 0.00 C ATOM 0 H LEU B 95 -5.919 -1.948 -1.754 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.328 -4.471 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.568 -2.218 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -3.943 -2.728 -3.472 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.282 -4.801 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.181 -4.893 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.722 -4.934 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.866 -3.433 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.129 -3.690 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.731 -2.181 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.161 -2.850 -5.778 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.507 -4.222 -1.150 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.433 -5.000 -0.558 1.00 0.00 C ATOM 2245 C LEU B 96 -2.963 -6.010 0.444 1.00 0.00 C ATOM 2246 O LEU B 96 -2.709 -7.204 0.311 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.419 -4.086 0.126 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.269 -3.616 -0.761 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.576 -2.593 -0.027 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.586 -4.796 -1.188 1.00 0.00 C ATOM 0 H LEU B 96 -3.495 -3.232 -0.906 1.00 0.00 H new ATOM 0 HA LEU B 96 -1.943 -5.542 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -1.943 -3.210 0.509 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.003 -4.610 0.986 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.687 -3.149 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.393 -2.266 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.041 -1.735 0.240 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.985 -3.041 0.878 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.402 -4.445 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.996 -5.286 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.025 -5.505 -1.746 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.728 -5.542 1.424 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.245 -6.432 2.454 1.00 0.00 C ATOM 2264 C GLN B 97 -5.211 -7.458 1.886 1.00 0.00 C ATOM 2265 O GLN B 97 -5.282 -8.568 2.392 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.870 -5.651 3.621 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.244 -5.058 3.365 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.909 -4.599 4.649 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.552 -5.228 5.764 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.720 -3.678 4.648 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.001 -4.564 1.526 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.393 -6.982 2.853 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.938 -6.316 4.482 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.192 -4.842 3.895 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.154 -4.214 2.681 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.874 -5.800 2.875 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.969 -3.219 3.772 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.145 -3.371 5.523 1.00 0.00 H new ATOM 2279 N GLN B 98 -5.922 -7.107 0.825 1.00 0.00 N ATOM 2280 CA GLN B 98 -6.871 -8.026 0.208 1.00 0.00 C ATOM 2281 C GLN B 98 -6.157 -9.141 -0.551 1.00 0.00 C ATOM 2282 O GLN B 98 -6.607 -10.287 -0.561 1.00 0.00 O ATOM 2283 CB GLN B 98 -7.800 -7.277 -0.746 1.00 0.00 C ATOM 2284 CG GLN B 98 -8.899 -6.502 -0.042 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.645 -5.569 -0.975 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -9.794 -5.849 -2.164 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.114 -4.449 -0.446 1.00 0.00 N ATOM 0 H GLN B 98 -5.861 -6.195 0.373 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.457 -8.474 1.010 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.209 -6.587 -1.348 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.254 -7.991 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.604 -7.203 0.404 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.465 -5.924 0.774 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -9.970 -4.253 0.545 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.620 -3.782 -1.029 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.050 -8.803 -1.194 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.292 -9.776 -1.973 1.00 0.00 C ATOM 2298 C LEU B 99 -3.256 -10.525 -1.133 1.00 0.00 C ATOM 2299 O LEU B 99 -2.903 -11.661 -1.449 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.602 -9.081 -3.142 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.557 -8.432 -4.139 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -3.832 -7.393 -4.981 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.204 -9.485 -5.023 1.00 0.00 C ATOM 0 H LEU B 99 -4.655 -7.863 -1.193 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.004 -10.514 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -2.930 -8.317 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -2.985 -9.809 -3.669 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.344 -7.926 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.532 -6.943 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.423 -6.619 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.021 -7.871 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.882 -9.002 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.432 -10.023 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.763 -10.186 -4.404 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.786 -9.888 -0.065 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.757 -10.463 0.807 1.00 0.00 C ATOM 2317 C LEU B 100 -1.985 -11.913 1.233 1.00 0.00 C ATOM 2318 O LEU B 100 -1.252 -12.786 0.784 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.509 -9.597 2.044 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.405 -8.574 1.866 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.047 -7.932 3.194 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.803 -9.256 1.260 1.00 0.00 C ATOM 0 H LEU B 100 -3.103 -8.962 0.223 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.870 -10.475 0.173 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.432 -9.079 2.304 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.259 -10.244 2.885 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.749 -7.783 1.199 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.747 -7.201 3.042 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -0.925 -7.434 3.606 1.00 0.00 H new ATOM 0 HD13 LEU B 100 0.294 -8.699 3.889 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.604 -8.528 1.128 1.00 0.00 H new ATOM 0 HD22 LEU B 100 1.142 -10.052 1.923 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.534 -9.680 0.292 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.002 -12.217 2.058 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.211 -13.581 2.559 1.00 0.00 C ATOM 2336 C PRO B 101 -3.511 -14.605 1.463 1.00 0.00 C ATOM 2337 O PRO B 101 -3.538 -15.810 1.722 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.382 -13.439 3.529 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.082 -12.188 3.131 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.040 -11.289 2.541 1.00 0.00 C ATOM 0 HA PRO B 101 -2.306 -13.970 3.025 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.049 -14.299 3.466 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.032 -13.382 4.560 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -5.869 -12.397 2.407 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.557 -11.718 3.992 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.446 -10.686 1.729 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -3.643 -10.597 3.284 1.00 0.00 H new ATOM 2348 N LYS B 102 -3.717 -14.134 0.241 1.00 0.00 N ATOM 2349 CA LYS B 102 -3.985 -15.025 -0.876 1.00 0.00 C ATOM 2350 C LYS B 102 -2.673 -15.601 -1.404 1.00 0.00 C ATOM 2351 O LYS B 102 -2.621 -16.742 -1.868 1.00 0.00 O ATOM 2352 CB LYS B 102 -4.729 -14.286 -1.992 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.154 -13.902 -1.626 1.00 0.00 C ATOM 2354 CD LYS B 102 -6.828 -13.129 -2.749 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.310 -12.920 -2.477 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.547 -12.115 -1.251 1.00 0.00 N ATOM 0 H LYS B 102 -3.704 -13.143 -0.000 1.00 0.00 H new ATOM 0 HA LYS B 102 -4.619 -15.841 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.174 -13.384 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.749 -14.915 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.729 -14.801 -1.405 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.148 -13.297 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.340 -12.162 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.703 -13.668 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.768 -12.421 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.799 -13.889 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.414 -11.552 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.654 -12.750 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.740 -11.479 -1.092 1.00 0.00 H new ATOM 2370 N PHE B 103 -1.609 -14.811 -1.297 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.289 -15.221 -1.764 1.00 0.00 C ATOM 2372 C PHE B 103 0.653 -15.487 -0.598 1.00 0.00 C ATOM 2373 O PHE B 103 1.501 -16.371 -0.672 1.00 0.00 O ATOM 2374 CB PHE B 103 0.302 -14.148 -2.681 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.459 -13.986 -3.964 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -1.516 -13.094 -4.051 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -0.125 -14.734 -5.080 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -2.224 -12.953 -5.228 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -0.828 -14.597 -6.260 1.00 0.00 C ATOM 2380 CZ PHE B 103 -1.880 -13.706 -6.333 1.00 0.00 C ATOM 0 H PHE B 103 -1.636 -13.877 -0.888 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.404 -16.149 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE B 103 0.318 -13.195 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.337 -14.403 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -1.789 -12.503 -3.189 1.00 0.00 H new ATOM 0 HD2 PHE B 103 0.696 -15.434 -5.027 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.046 -12.255 -5.284 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -0.556 -15.185 -7.124 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.434 -13.598 -7.254 1.00 0.00 H new