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 13 LYS NZ :NH3+ -153:sc= -0.237 (180deg=-2.47!) USER MOD Set 1.2: B 81 ASN : amide:sc= -3.46! C(o=-2.6!,f=-6.6!) USER MOD Set 1.3: B 84 THR OG1 : rot 57:sc= 1.15 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-5.4!) USER MOD Set 2.2: B 75 THR OG1 : rot 170:sc= 0 USER MOD Set 3.1: B 66 GLN : amide:sc= -4.59! C(o=-7!,f=-9.7!) USER MOD Set 3.2: B 76 ASN : amide:sc= -2.39! C(o=-7!,f=-10!) USER MOD Set 4.1: B 56 SER OG : rot 140:sc= -1.18 USER MOD Set 4.2: B 64 GLN : amide:sc= -3.04! C(o=-4.2!,f=-4.4!) USER MOD Single : B 14 LYS NZ :NH3+ -143:sc= -0.396 (180deg=-1.64!) USER MOD Single : B 17 GLN : amide:sc= 0.18 K(o=0.18,f=-5.2!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 162:sc= -0.102 (180deg=-0.504) USER MOD Single : B 20 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 142:sc= 0 (180deg=-1.19) USER MOD Single : B 44 SER OG : rot -160:sc= 0.764 USER MOD Single : B 46 MET CE :methyl -158:sc= -0.177 (180deg=-0.879) USER MOD Single : B 47 TYR OH : rot 44:sc= 0.657 USER MOD Single : B 51 LYS NZ :NH3+ -110:sc= 1.63 (180deg=-2.25!) USER MOD Single : B 52 CYS SG : rot 69:sc= 0.426 USER MOD Single : B 53 GLN :FLIP amide:sc= -5.25! C(o=-8!,f=-5.2!) USER MOD Single : B 54 LYS NZ :NH3+ 158:sc= 1.09 (180deg=0.792) USER MOD Single : B 60 LYS NZ :NH3+ 155:sc= -0.536 (180deg=-3.17!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-10!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -4.25! C(o=-5!,f=-4.2!) USER MOD Single : B 80 SER OG : rot 9:sc= 1.71 USER MOD Single : B 83 SER OG : rot 80:sc= 1.25 USER MOD Single : B 87 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ 147:sc= -0.336 (180deg=-1.05!) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.24 F(o=-3!,f=-1.2) USER MOD Single : B 98 GLN : amide:sc=-0.00249 X(o=-0.0025,f=-0.26) USER MOD Single : B 102 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.2) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.053 5.187 13.879 1.00 0.00 N ATOM 340 CA ASP A 132 2.695 5.646 14.078 1.00 0.00 C ATOM 341 C ASP A 132 1.918 5.355 12.825 1.00 0.00 C ATOM 342 O ASP A 132 1.647 6.230 12.003 1.00 0.00 O ATOM 343 CB ASP A 132 2.669 7.125 14.363 1.00 0.00 C ATOM 344 CG ASP A 132 1.338 7.606 14.916 1.00 0.00 C ATOM 345 OD1 ASP A 132 0.331 7.565 14.171 1.00 0.00 O ATOM 346 OD2 ASP A 132 1.302 8.068 16.067 1.00 0.00 O ATOM 0 HA ASP A 132 2.254 5.132 14.932 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.459 7.365 15.075 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.891 7.669 13.445 1.00 0.00 H new ATOM 351 N TRP A 133 1.657 4.099 12.652 1.00 0.00 N ATOM 352 CA TRP A 133 0.921 3.618 11.514 1.00 0.00 C ATOM 353 C TRP A 133 -0.286 2.834 11.994 1.00 0.00 C ATOM 354 O TRP A 133 -0.184 2.058 12.944 1.00 0.00 O ATOM 355 CB TRP A 133 1.783 2.677 10.655 1.00 0.00 C ATOM 356 CG TRP A 133 3.181 3.132 10.295 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.284 3.179 11.099 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.638 3.545 9.004 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.381 3.562 10.374 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.009 3.814 9.107 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.032 3.716 7.777 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.776 4.242 8.039 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.796 4.146 6.719 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.155 4.406 6.853 1.00 0.00 C ATOM 0 H TRP A 133 1.949 3.367 13.299 1.00 0.00 H new ATOM 0 HA TRP A 133 0.621 4.480 10.918 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.865 1.726 11.180 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.245 2.483 9.727 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.290 2.948 12.154 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.330 3.643 10.738 1.00 0.00 H new ATOM 0 HE3 TRP A 133 1.978 3.516 7.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 6.832 4.438 8.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.327 4.286 5.756 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.720 4.743 5.997 1.00 0.00 H new ATOM 375 N GLU A 134 -1.421 3.045 11.350 1.00 0.00 N ATOM 376 CA GLU A 134 -2.611 2.290 11.658 1.00 0.00 C ATOM 377 C GLU A 134 -2.333 0.942 11.040 1.00 0.00 C ATOM 378 O GLU A 134 -2.454 0.758 9.828 1.00 0.00 O ATOM 379 CB GLU A 134 -3.859 2.936 11.045 1.00 0.00 C ATOM 380 CG GLU A 134 -3.946 4.439 11.271 1.00 0.00 C ATOM 381 CD GLU A 134 -5.007 5.101 10.413 1.00 0.00 C ATOM 382 OE1 GLU A 134 -6.200 4.996 10.755 1.00 0.00 O ATOM 383 OE2 GLU A 134 -4.641 5.732 9.396 1.00 0.00 O ATOM 0 H GLU A 134 -1.538 3.736 10.609 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.815 2.236 12.727 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.870 2.738 9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.746 2.463 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.162 4.632 12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.978 4.891 11.057 1.00 0.00 H new ATOM 390 N GLU A 135 -1.891 0.026 11.867 1.00 0.00 N ATOM 391 CA GLU A 135 -1.466 -1.262 11.392 1.00 0.00 C ATOM 392 C GLU A 135 -2.580 -2.113 10.811 1.00 0.00 C ATOM 393 O GLU A 135 -3.495 -2.571 11.494 1.00 0.00 O ATOM 394 CB GLU A 135 -0.688 -1.979 12.490 1.00 0.00 C ATOM 395 CG GLU A 135 -1.315 -1.931 13.868 1.00 0.00 C ATOM 396 CD GLU A 135 -0.271 -2.132 14.946 1.00 0.00 C ATOM 397 OE1 GLU A 135 0.694 -1.336 14.989 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.378 -3.103 15.714 1.00 0.00 O ATOM 0 H GLU A 135 -1.817 0.153 12.876 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.805 -1.091 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.564 -3.023 12.202 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.310 -1.544 12.548 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.812 -0.972 14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.081 -2.702 13.950 1.00 0.00 H new ATOM 405 N VAL A 136 -2.466 -2.274 9.502 1.00 0.00 N ATOM 406 CA VAL A 136 -3.362 -3.077 8.702 1.00 0.00 C ATOM 407 C VAL A 136 -2.855 -4.497 8.657 1.00 0.00 C ATOM 408 O VAL A 136 -1.656 -4.745 8.554 1.00 0.00 O ATOM 409 CB VAL A 136 -3.458 -2.557 7.271 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.432 -3.348 6.462 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.807 -1.105 7.272 1.00 0.00 C ATOM 0 H VAL A 136 -1.725 -1.835 8.956 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.350 -3.028 9.160 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.482 -2.677 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.473 -2.948 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.115 -4.390 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.420 -3.284 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.872 -0.746 6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.767 -0.962 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.037 -0.546 7.803 1.00 0.00 H new ATOM 421 N GLU A 137 -3.760 -5.417 8.720 1.00 0.00 N ATOM 422 CA GLU A 137 -3.388 -6.812 8.724 1.00 0.00 C ATOM 423 C GLU A 137 -4.004 -7.576 7.556 1.00 0.00 C ATOM 424 O GLU A 137 -5.024 -7.161 7.015 1.00 0.00 O ATOM 425 CB GLU A 137 -3.792 -7.442 10.046 1.00 0.00 C ATOM 426 CG GLU A 137 -3.532 -8.922 10.080 1.00 0.00 C ATOM 427 CD GLU A 137 -2.059 -9.260 10.193 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.277 -8.801 9.337 1.00 0.00 O ATOM 429 OE2 GLU A 137 -1.674 -10.003 11.120 1.00 0.00 O ATOM 0 H GLU A 137 -4.763 -5.239 8.770 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.306 -6.871 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.244 -6.961 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.852 -7.258 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.066 -9.360 10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.936 -9.378 9.176 1.00 0.00 H new ATOM 436 N GLU A 138 -3.338 -8.661 7.148 1.00 0.00 N ATOM 437 CA GLU A 138 -3.807 -9.525 6.065 1.00 0.00 C ATOM 438 C GLU A 138 -5.307 -9.795 6.209 1.00 0.00 C ATOM 439 O GLU A 138 -5.755 -10.380 7.193 1.00 0.00 O ATOM 440 CB GLU A 138 -3.022 -10.847 6.071 1.00 0.00 C ATOM 441 CG GLU A 138 -2.687 -11.354 7.472 1.00 0.00 C ATOM 442 CD GLU A 138 -2.094 -12.749 7.474 1.00 0.00 C ATOM 443 OE1 GLU A 138 -2.791 -13.691 7.052 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.924 -12.914 7.902 1.00 0.00 O ATOM 0 H GLU A 138 -2.456 -8.964 7.562 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.638 -9.020 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.603 -11.607 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.096 -10.712 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -1.984 -10.666 7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -3.592 -11.350 8.079 1.00 0.00 H new ATOM 451 N LEU A 139 -6.077 -9.360 5.224 1.00 0.00 N ATOM 452 CA LEU A 139 -7.520 -9.517 5.266 1.00 0.00 C ATOM 453 C LEU A 139 -8.004 -10.510 4.220 1.00 0.00 C ATOM 454 O LEU A 139 -7.740 -10.368 3.027 1.00 0.00 O ATOM 455 CB LEU A 139 -8.183 -8.148 5.090 1.00 0.00 C ATOM 456 CG LEU A 139 -9.422 -8.088 4.188 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.630 -8.716 4.873 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.727 -6.650 3.801 1.00 0.00 C ATOM 0 H LEU A 139 -5.726 -8.896 4.386 1.00 0.00 H new ATOM 0 HA LEU A 139 -7.803 -9.925 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.463 -7.777 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.439 -7.459 4.690 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.208 -8.659 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.494 -8.660 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.416 -9.760 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.845 -8.178 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.609 -6.625 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.914 -6.063 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.877 -6.230 3.264 1.00 0.00 H new ATOM 815 N VAL B 8 -0.409 -5.103 -13.609 1.00 0.00 N ATOM 816 CA VAL B 8 -0.355 -3.971 -12.700 1.00 0.00 C ATOM 817 C VAL B 8 -1.758 -3.428 -12.461 1.00 0.00 C ATOM 818 O VAL B 8 -2.283 -2.647 -13.255 1.00 0.00 O ATOM 819 CB VAL B 8 0.551 -2.845 -13.241 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.793 -1.791 -12.172 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.871 -3.412 -13.745 1.00 0.00 C ATOM 0 HA VAL B 8 0.071 -4.323 -11.760 1.00 0.00 H new ATOM 0 HB VAL B 8 0.041 -2.370 -14.080 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.434 -1.006 -12.573 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.159 -1.360 -11.864 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.278 -2.251 -11.311 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.495 -2.602 -14.122 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.386 -3.916 -12.927 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.678 -4.125 -14.547 1.00 0.00 H new ATOM 831 N LEU B 9 -2.353 -3.867 -11.367 1.00 0.00 N ATOM 832 CA LEU B 9 -3.699 -3.469 -10.987 1.00 0.00 C ATOM 833 C LEU B 9 -3.764 -1.998 -10.599 1.00 0.00 C ATOM 834 O LEU B 9 -4.666 -1.273 -11.014 1.00 0.00 O ATOM 835 CB LEU B 9 -4.164 -4.316 -9.802 1.00 0.00 C ATOM 836 CG LEU B 9 -4.071 -5.830 -9.998 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.338 -6.553 -8.688 1.00 0.00 C ATOM 838 CD2 LEU B 9 -5.045 -6.295 -11.070 1.00 0.00 C ATOM 0 H LEU B 9 -1.914 -4.514 -10.712 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.348 -3.624 -11.849 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.572 -4.043 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.199 -4.059 -9.578 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.060 -6.070 -10.327 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.268 -7.629 -8.846 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.601 -6.246 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.337 -6.303 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.962 -7.375 -11.193 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.062 -6.041 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.809 -5.803 -12.014 1.00 0.00 H new ATOM 850 N LEU B 10 -2.808 -1.566 -9.796 1.00 0.00 N ATOM 851 CA LEU B 10 -2.785 -0.186 -9.333 1.00 0.00 C ATOM 852 C LEU B 10 -1.445 0.493 -9.587 1.00 0.00 C ATOM 853 O LEU B 10 -0.390 -0.078 -9.331 1.00 0.00 O ATOM 854 CB LEU B 10 -3.121 -0.119 -7.846 1.00 0.00 C ATOM 855 CG LEU B 10 -3.604 1.249 -7.363 1.00 0.00 C ATOM 856 CD1 LEU B 10 -4.990 1.550 -7.909 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.603 1.315 -5.845 1.00 0.00 C ATOM 0 H LEU B 10 -2.042 -2.144 -9.452 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.540 0.351 -9.907 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.891 -0.859 -7.627 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.237 -0.400 -7.274 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.915 2.005 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.316 2.528 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.960 1.551 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.690 0.788 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.950 2.297 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.267 0.547 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.592 1.148 -5.474 1.00 0.00 H new ATOM 869 N ILE B 11 -1.504 1.716 -10.096 1.00 0.00 N ATOM 870 CA ILE B 11 -0.305 2.496 -10.358 1.00 0.00 C ATOM 871 C ILE B 11 -0.314 3.740 -9.488 1.00 0.00 C ATOM 872 O ILE B 11 -1.089 4.669 -9.711 1.00 0.00 O ATOM 873 CB ILE B 11 -0.183 2.903 -11.844 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.112 1.655 -12.731 1.00 0.00 C ATOM 875 CG2 ILE B 11 1.047 3.782 -12.054 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.074 1.959 -14.213 1.00 0.00 C ATOM 0 H ILE B 11 -2.375 2.190 -10.336 1.00 0.00 H new ATOM 0 HA ILE B 11 0.555 1.871 -10.120 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.067 3.476 -12.124 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.776 1.082 -12.465 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.975 1.022 -12.522 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.120 4.061 -13.105 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.959 4.682 -11.445 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.941 3.232 -11.762 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.024 1.026 -14.775 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.974 2.505 -14.496 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.804 2.565 -14.438 1.00 0.00 H new ATOM 888 N VAL B 12 0.550 3.737 -8.492 1.00 0.00 N ATOM 889 CA VAL B 12 0.659 4.842 -7.562 1.00 0.00 C ATOM 890 C VAL B 12 1.791 5.766 -7.980 1.00 0.00 C ATOM 891 O VAL B 12 2.825 5.309 -8.461 1.00 0.00 O ATOM 892 CB VAL B 12 0.903 4.333 -6.131 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.682 5.437 -5.114 1.00 0.00 C ATOM 894 CG2 VAL B 12 0.004 3.143 -5.840 1.00 0.00 C ATOM 0 H VAL B 12 1.195 2.969 -8.305 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.281 5.393 -7.577 1.00 0.00 H new ATOM 0 HB VAL B 12 1.942 4.014 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.861 5.049 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.370 6.259 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.344 5.797 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.185 2.790 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.039 3.442 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.221 2.342 -6.546 1.00 0.00 H new ATOM 904 N LYS B 13 1.592 7.057 -7.798 1.00 0.00 N ATOM 905 CA LYS B 13 2.594 8.044 -8.185 1.00 0.00 C ATOM 906 C LYS B 13 3.380 8.543 -6.980 1.00 0.00 C ATOM 907 O LYS B 13 3.058 8.200 -5.848 1.00 0.00 O ATOM 908 CB LYS B 13 1.940 9.227 -8.903 1.00 0.00 C ATOM 909 CG LYS B 13 1.572 8.943 -10.352 1.00 0.00 C ATOM 910 CD LYS B 13 0.439 7.935 -10.466 1.00 0.00 C ATOM 911 CE LYS B 13 -0.923 8.584 -10.269 1.00 0.00 C ATOM 912 NZ LYS B 13 -1.192 8.950 -8.848 1.00 0.00 N ATOM 0 H LYS B 13 0.747 7.452 -7.385 1.00 0.00 H new ATOM 0 HA LYS B 13 3.288 7.552 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS B 13 1.040 9.516 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.619 10.079 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS B 13 1.280 9.873 -10.841 1.00 0.00 H new ATOM 0 HG3 LYS B 13 2.447 8.566 -10.881 1.00 0.00 H new ATOM 0 HD2 LYS B 13 0.475 7.458 -11.445 1.00 0.00 H new ATOM 0 HD3 LYS B 13 0.577 7.149 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -0.986 9.479 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -1.699 7.901 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -2.218 8.948 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -0.735 8.259 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -0.811 9.898 -8.656 1.00 0.00 H new ATOM 926 N LYS B 14 4.359 9.410 -7.269 1.00 0.00 N ATOM 927 CA LYS B 14 5.275 10.010 -6.280 1.00 0.00 C ATOM 928 C LYS B 14 5.318 9.311 -4.921 1.00 0.00 C ATOM 929 O LYS B 14 4.929 9.873 -3.898 1.00 0.00 O ATOM 930 CB LYS B 14 4.947 11.490 -6.080 1.00 0.00 C ATOM 931 CG LYS B 14 5.714 12.411 -7.011 1.00 0.00 C ATOM 932 CD LYS B 14 5.027 13.756 -7.168 1.00 0.00 C ATOM 933 CE LYS B 14 4.107 13.769 -8.379 1.00 0.00 C ATOM 934 NZ LYS B 14 4.797 13.280 -9.603 1.00 0.00 N ATOM 0 H LYS B 14 4.544 9.724 -8.222 1.00 0.00 H new ATOM 0 HA LYS B 14 6.268 9.882 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.878 11.641 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.165 11.766 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.722 12.561 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.814 11.938 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.452 13.980 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.777 14.540 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.235 13.146 -8.180 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.743 14.782 -8.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.473 13.827 -10.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.825 13.396 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.576 12.274 -9.748 1.00 0.00 H new ATOM 948 N VAL B 15 5.810 8.088 -4.930 1.00 0.00 N ATOM 949 CA VAL B 15 5.990 7.309 -3.723 1.00 0.00 C ATOM 950 C VAL B 15 7.468 7.377 -3.389 1.00 0.00 C ATOM 951 O VAL B 15 8.306 7.112 -4.249 1.00 0.00 O ATOM 952 CB VAL B 15 5.556 5.837 -3.906 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.756 5.047 -2.623 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.110 5.756 -4.352 1.00 0.00 C ATOM 0 H VAL B 15 6.098 7.605 -5.781 1.00 0.00 H new ATOM 0 HA VAL B 15 5.368 7.713 -2.924 1.00 0.00 H new ATOM 0 HB VAL B 15 6.184 5.397 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.443 4.015 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.809 5.069 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.159 5.491 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.825 4.711 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.471 6.220 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.992 6.278 -5.302 1.00 0.00 H new ATOM 964 N ARG B 16 7.801 7.756 -2.172 1.00 0.00 N ATOM 965 CA ARG B 16 9.187 7.897 -1.798 1.00 0.00 C ATOM 966 C ARG B 16 9.589 6.983 -0.658 1.00 0.00 C ATOM 967 O ARG B 16 8.951 6.950 0.386 1.00 0.00 O ATOM 968 CB ARG B 16 9.472 9.350 -1.416 1.00 0.00 C ATOM 969 CG ARG B 16 9.521 10.280 -2.612 1.00 0.00 C ATOM 970 CD ARG B 16 9.846 11.707 -2.207 1.00 0.00 C ATOM 971 NE ARG B 16 10.478 12.444 -3.301 1.00 0.00 N ATOM 972 CZ ARG B 16 9.806 13.096 -4.252 1.00 0.00 C ATOM 973 NH1 ARG B 16 8.475 13.118 -4.241 1.00 0.00 N ATOM 974 NH2 ARG B 16 10.468 13.722 -5.221 1.00 0.00 N ATOM 0 H ARG B 16 7.133 7.970 -1.431 1.00 0.00 H new ATOM 0 HA ARG B 16 9.781 7.606 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.703 9.696 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.423 9.400 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG B 16 10.271 9.924 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.561 10.259 -3.128 1.00 0.00 H new ATOM 0 HD2 ARG B 16 8.932 12.217 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.509 11.699 -1.342 1.00 0.00 H new ATOM 0 HE ARG B 16 11.497 12.461 -3.340 1.00 0.00 H new ATOM 0 HH11 ARG B 16 7.963 12.635 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG B 16 7.967 13.618 -4.971 1.00 0.00 H new ATOM 0 HH21 ARG B 16 11.488 13.703 -5.236 1.00 0.00 H new ATOM 0 HH22 ARG B 16 9.956 14.221 -5.949 1.00 0.00 H new ATOM 988 N GLN B 17 10.640 6.220 -0.879 1.00 0.00 N ATOM 989 CA GLN B 17 11.171 5.360 0.156 1.00 0.00 C ATOM 990 C GLN B 17 12.475 5.991 0.626 1.00 0.00 C ATOM 991 O GLN B 17 13.476 5.984 -0.092 1.00 0.00 O ATOM 992 CB GLN B 17 11.359 3.910 -0.337 1.00 0.00 C ATOM 993 CG GLN B 17 12.365 3.737 -1.464 1.00 0.00 C ATOM 994 CD GLN B 17 13.550 2.878 -1.057 1.00 0.00 C ATOM 995 OE1 GLN B 17 13.587 1.682 -1.321 1.00 0.00 O ATOM 996 NE2 GLN B 17 14.521 3.482 -0.391 1.00 0.00 N ATOM 0 H GLN B 17 11.142 6.179 -1.766 1.00 0.00 H new ATOM 0 HA GLN B 17 10.471 5.281 0.988 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.672 3.294 0.506 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.394 3.528 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.870 3.284 -2.323 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.722 4.717 -1.782 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.457 4.480 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.334 2.950 -0.080 1.00 0.00 H new ATOM 1005 N LYS B 18 12.433 6.612 1.801 1.00 0.00 N ATOM 1006 CA LYS B 18 13.595 7.301 2.353 1.00 0.00 C ATOM 1007 C LYS B 18 13.925 8.516 1.488 1.00 0.00 C ATOM 1008 O LYS B 18 15.083 8.768 1.161 1.00 0.00 O ATOM 1009 CB LYS B 18 14.807 6.363 2.465 1.00 0.00 C ATOM 1010 CG LYS B 18 14.859 5.581 3.769 1.00 0.00 C ATOM 1011 CD LYS B 18 15.917 6.135 4.714 1.00 0.00 C ATOM 1012 CE LYS B 18 15.586 7.548 5.169 1.00 0.00 C ATOM 1013 NZ LYS B 18 16.661 8.123 6.017 1.00 0.00 N ATOM 0 H LYS B 18 11.602 6.652 2.392 1.00 0.00 H new ATOM 0 HA LYS B 18 13.354 7.634 3.363 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.790 5.661 1.631 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.720 6.951 2.368 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.883 5.616 4.254 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.072 4.533 3.557 1.00 0.00 H new ATOM 0 HD2 LYS B 18 16.003 5.484 5.584 1.00 0.00 H new ATOM 0 HD3 LYS B 18 16.887 6.132 4.216 1.00 0.00 H new ATOM 0 HE2 LYS B 18 15.433 8.184 4.297 1.00 0.00 H new ATOM 0 HE3 LYS B 18 14.649 7.540 5.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 16.397 9.086 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 16.791 7.531 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 17.549 8.155 5.477 1.00 0.00 H new ATOM 1027 N LYS B 19 12.865 9.235 1.102 1.00 0.00 N ATOM 1028 CA LYS B 19 12.955 10.452 0.281 1.00 0.00 C ATOM 1029 C LYS B 19 13.289 10.161 -1.183 1.00 0.00 C ATOM 1030 O LYS B 19 13.457 11.085 -1.980 1.00 0.00 O ATOM 1031 CB LYS B 19 13.970 11.442 0.867 1.00 0.00 C ATOM 1032 CG LYS B 19 13.331 12.580 1.649 1.00 0.00 C ATOM 1033 CD LYS B 19 12.466 12.068 2.791 1.00 0.00 C ATOM 1034 CE LYS B 19 13.300 11.414 3.883 1.00 0.00 C ATOM 1035 NZ LYS B 19 14.364 12.323 4.382 1.00 0.00 N ATOM 0 H LYS B 19 11.908 8.987 1.353 1.00 0.00 H new ATOM 0 HA LYS B 19 11.963 10.903 0.302 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.655 10.902 1.521 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.567 11.860 0.056 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.111 13.230 2.047 1.00 0.00 H new ATOM 0 HG3 LYS B 19 12.723 13.186 0.977 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.897 12.895 3.215 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.744 11.349 2.405 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.653 11.123 4.710 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.753 10.501 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.706 11.984 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 15.153 12.339 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.979 13.283 4.488 1.00 0.00 H new ATOM 1049 N GLN B 20 13.343 8.889 -1.550 1.00 0.00 N ATOM 1050 CA GLN B 20 13.654 8.511 -2.925 1.00 0.00 C ATOM 1051 C GLN B 20 12.377 8.471 -3.754 1.00 0.00 C ATOM 1052 O GLN B 20 11.480 7.683 -3.465 1.00 0.00 O ATOM 1053 CB GLN B 20 14.357 7.153 -2.959 1.00 0.00 C ATOM 1054 CG GLN B 20 14.784 6.729 -4.353 1.00 0.00 C ATOM 1055 CD GLN B 20 15.562 5.425 -4.366 1.00 0.00 C ATOM 1056 OE1 GLN B 20 15.267 4.544 -3.422 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.420 5.209 -5.218 1.00 0.00 N flip ATOM 0 H GLN B 20 13.177 8.104 -0.921 1.00 0.00 H new ATOM 0 HA GLN B 20 14.326 9.255 -3.352 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.235 7.191 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.690 6.397 -2.546 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.900 6.624 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.397 7.515 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.620 5.912 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.932 4.327 -5.214 1.00 0.00 H new ATOM 1066 N ASP B 21 12.300 9.322 -4.775 1.00 0.00 N ATOM 1067 CA ASP B 21 11.113 9.401 -5.632 1.00 0.00 C ATOM 1068 C ASP B 21 10.871 8.104 -6.388 1.00 0.00 C ATOM 1069 O ASP B 21 11.810 7.383 -6.726 1.00 0.00 O ATOM 1070 CB ASP B 21 11.229 10.556 -6.641 1.00 0.00 C ATOM 1071 CG ASP B 21 12.213 10.276 -7.768 1.00 0.00 C ATOM 1072 OD1 ASP B 21 11.853 9.551 -8.721 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.343 10.801 -7.719 1.00 0.00 O ATOM 0 H ASP B 21 13.046 9.969 -5.032 1.00 0.00 H new ATOM 0 HA ASP B 21 10.267 9.583 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.246 10.756 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP B 21 11.538 11.459 -6.115 1.00 0.00 H new ATOM 1078 N GLY B 22 9.603 7.800 -6.621 1.00 0.00 N ATOM 1079 CA GLY B 22 9.254 6.614 -7.356 1.00 0.00 C ATOM 1080 C GLY B 22 7.764 6.459 -7.532 1.00 0.00 C ATOM 1081 O GLY B 22 6.986 7.297 -7.090 1.00 0.00 O ATOM 0 H GLY B 22 8.809 8.360 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.731 6.645 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.648 5.740 -6.837 1.00 0.00 H new ATOM 1085 N ALA B 23 7.377 5.401 -8.207 1.00 0.00 N ATOM 1086 CA ALA B 23 5.983 5.083 -8.424 1.00 0.00 C ATOM 1087 C ALA B 23 5.750 3.669 -7.929 1.00 0.00 C ATOM 1088 O ALA B 23 6.618 2.806 -8.081 1.00 0.00 O ATOM 1089 CB ALA B 23 5.597 5.233 -9.891 1.00 0.00 C ATOM 0 H ALA B 23 8.024 4.732 -8.624 1.00 0.00 H new ATOM 0 HA ALA B 23 5.351 5.780 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.543 4.986 -10.017 1.00 0.00 H new ATOM 0 HB2 ALA B 23 5.769 6.261 -10.209 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.202 4.559 -10.497 1.00 0.00 H new ATOM 1095 N LEU B 24 4.599 3.423 -7.342 1.00 0.00 N ATOM 1096 CA LEU B 24 4.310 2.116 -6.788 1.00 0.00 C ATOM 1097 C LEU B 24 3.389 1.348 -7.738 1.00 0.00 C ATOM 1098 O LEU B 24 2.232 1.710 -7.931 1.00 0.00 O ATOM 1099 CB LEU B 24 3.667 2.285 -5.407 1.00 0.00 C ATOM 1100 CG LEU B 24 3.963 1.185 -4.382 1.00 0.00 C ATOM 1101 CD1 LEU B 24 2.939 1.216 -3.258 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.005 -0.187 -5.026 1.00 0.00 C ATOM 0 H LEU B 24 3.850 4.107 -7.236 1.00 0.00 H new ATOM 0 HA LEU B 24 5.231 1.544 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.995 3.238 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.587 2.349 -5.538 1.00 0.00 H new ATOM 0 HG LEU B 24 4.951 1.381 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.164 0.428 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.976 2.184 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.942 1.058 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.217 -0.939 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.042 -0.401 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU B 24 4.786 -0.208 -5.786 1.00 0.00 H new ATOM 1114 N TYR B 25 3.918 0.288 -8.327 1.00 0.00 N ATOM 1115 CA TYR B 25 3.167 -0.526 -9.269 1.00 0.00 C ATOM 1116 C TYR B 25 2.636 -1.788 -8.597 1.00 0.00 C ATOM 1117 O TYR B 25 3.364 -2.766 -8.406 1.00 0.00 O ATOM 1118 CB TYR B 25 4.044 -0.896 -10.468 1.00 0.00 C ATOM 1119 CG TYR B 25 4.669 0.298 -11.158 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.994 0.972 -12.166 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.933 0.750 -10.800 1.00 0.00 C ATOM 1122 CE1 TYR B 25 4.560 2.063 -12.798 1.00 0.00 C ATOM 1123 CE2 TYR B 25 6.506 1.840 -11.427 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.815 2.492 -12.425 1.00 0.00 C ATOM 1125 OH TYR B 25 6.382 3.579 -13.051 1.00 0.00 O ATOM 0 H TYR B 25 4.874 -0.031 -8.167 1.00 0.00 H new ATOM 0 HA TYR B 25 2.316 0.058 -9.619 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.836 -1.567 -10.134 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.442 -1.448 -11.190 1.00 0.00 H new ATOM 0 HD1 TYR B 25 3.010 0.638 -12.461 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.477 0.241 -10.018 1.00 0.00 H new ATOM 0 HE1 TYR B 25 4.021 2.577 -13.580 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.489 2.179 -11.137 1.00 0.00 H new ATOM 0 HH TYR B 25 7.268 3.751 -12.669 1.00 0.00 H new ATOM 1135 N LEU B 26 1.367 -1.748 -8.231 1.00 0.00 N ATOM 1136 CA LEU B 26 0.708 -2.870 -7.589 1.00 0.00 C ATOM 1137 C LEU B 26 0.262 -3.893 -8.610 1.00 0.00 C ATOM 1138 O LEU B 26 -0.741 -3.693 -9.286 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.520 -2.395 -6.818 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.252 -1.897 -5.411 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.543 -1.453 -4.755 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.392 -2.986 -4.593 1.00 0.00 C ATOM 0 H LEU B 26 0.765 -0.937 -8.371 1.00 0.00 H new ATOM 0 HA LEU B 26 1.427 -3.325 -6.907 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.996 -1.594 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.235 -3.216 -6.765 1.00 0.00 H new ATOM 0 HG LEU B 26 0.425 -1.044 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.335 -1.098 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.989 -0.647 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.235 -2.294 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.581 -2.620 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.273 -3.848 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.335 -3.279 -5.055 1.00 0.00 H new ATOM 1154 N MET B 27 1.001 -4.976 -8.730 1.00 0.00 N ATOM 1155 CA MET B 27 0.628 -6.028 -9.656 1.00 0.00 C ATOM 1156 C MET B 27 -0.221 -7.047 -8.911 1.00 0.00 C ATOM 1157 O MET B 27 -0.528 -6.857 -7.733 1.00 0.00 O ATOM 1158 CB MET B 27 1.859 -6.694 -10.278 1.00 0.00 C ATOM 1159 CG MET B 27 2.868 -5.706 -10.838 1.00 0.00 C ATOM 1160 SD MET B 27 4.422 -6.487 -11.310 1.00 0.00 S ATOM 1161 CE MET B 27 5.436 -5.042 -11.606 1.00 0.00 C ATOM 0 H MET B 27 1.857 -5.152 -8.203 1.00 0.00 H new ATOM 0 HA MET B 27 0.056 -5.597 -10.477 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.348 -7.311 -9.524 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.536 -7.362 -11.076 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.438 -5.208 -11.707 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.066 -4.934 -10.094 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.449 -5.230 -11.251 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.460 -4.827 -12.674 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.017 -4.188 -11.073 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.603 -8.112 -9.586 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.427 -9.135 -8.968 1.00 0.00 C ATOM 1173 C ALA B 28 -0.602 -10.061 -8.079 1.00 0.00 C ATOM 1174 O ALA B 28 -0.942 -10.295 -6.921 1.00 0.00 O ATOM 1175 CB ALA B 28 -2.151 -9.939 -10.039 1.00 0.00 C ATOM 0 H ALA B 28 -0.358 -8.293 -10.559 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.160 -8.636 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.767 -10.704 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.785 -9.275 -10.626 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.420 -10.415 -10.693 1.00 0.00 H new ATOM 1181 N GLU B 29 0.497 -10.564 -8.621 1.00 0.00 N ATOM 1182 CA GLU B 29 1.351 -11.497 -7.896 1.00 0.00 C ATOM 1183 C GLU B 29 2.387 -10.800 -7.014 1.00 0.00 C ATOM 1184 O GLU B 29 2.820 -11.361 -6.001 1.00 0.00 O ATOM 1185 CB GLU B 29 2.061 -12.425 -8.884 1.00 0.00 C ATOM 1186 CG GLU B 29 1.222 -12.780 -10.103 1.00 0.00 C ATOM 1187 CD GLU B 29 1.507 -11.883 -11.292 1.00 0.00 C ATOM 1188 OE1 GLU B 29 1.153 -10.686 -11.244 1.00 0.00 O ATOM 1189 OE2 GLU B 29 2.088 -12.377 -12.280 1.00 0.00 O ATOM 0 H GLU B 29 0.820 -10.342 -9.563 1.00 0.00 H new ATOM 0 HA GLU B 29 0.701 -12.069 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.984 -11.950 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU B 29 2.342 -13.343 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.413 -13.816 -10.381 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.165 -12.709 -9.845 1.00 0.00 H new ATOM 1196 N ARG B 30 2.786 -9.586 -7.371 1.00 0.00 N ATOM 1197 CA ARG B 30 3.796 -8.883 -6.587 1.00 0.00 C ATOM 1198 C ARG B 30 3.614 -7.373 -6.620 1.00 0.00 C ATOM 1199 O ARG B 30 3.003 -6.822 -7.530 1.00 0.00 O ATOM 1200 CB ARG B 30 5.202 -9.235 -7.090 1.00 0.00 C ATOM 1201 CG ARG B 30 5.449 -8.868 -8.547 1.00 0.00 C ATOM 1202 CD ARG B 30 6.910 -9.062 -8.929 1.00 0.00 C ATOM 1203 NE ARG B 30 7.142 -8.817 -10.353 1.00 0.00 N ATOM 1204 CZ ARG B 30 8.070 -7.990 -10.835 1.00 0.00 C ATOM 1205 NH1 ARG B 30 8.897 -7.357 -10.010 1.00 0.00 N ATOM 1206 NH2 ARG B 30 8.188 -7.812 -12.147 1.00 0.00 N ATOM 0 H ARG B 30 2.435 -9.075 -8.181 1.00 0.00 H new ATOM 0 HA ARG B 30 3.674 -9.211 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG B 30 5.937 -8.725 -6.468 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.365 -10.305 -6.963 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.819 -9.482 -9.190 1.00 0.00 H new ATOM 0 HG3 ARG B 30 5.162 -7.830 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG B 30 7.531 -8.388 -8.339 1.00 0.00 H new ATOM 0 HD3 ARG B 30 7.218 -10.078 -8.681 1.00 0.00 H new ATOM 0 HE ARG B 30 6.554 -9.313 -11.022 1.00 0.00 H new ATOM 0 HH11 ARG B 30 8.824 -7.503 -9.003 1.00 0.00 H new ATOM 0 HH12 ARG B 30 9.605 -6.725 -10.383 1.00 0.00 H new ATOM 0 HH21 ARG B 30 7.568 -8.309 -12.787 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.899 -7.179 -12.514 1.00 0.00 H new ATOM 1220 N ILE B 31 4.145 -6.721 -5.603 1.00 0.00 N ATOM 1221 CA ILE B 31 4.100 -5.276 -5.498 1.00 0.00 C ATOM 1222 C ILE B 31 5.498 -4.743 -5.796 1.00 0.00 C ATOM 1223 O ILE B 31 6.464 -5.103 -5.121 1.00 0.00 O ATOM 1224 CB ILE B 31 3.623 -4.815 -4.094 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.007 -3.355 -3.836 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.183 -5.716 -3.002 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.542 -2.830 -2.493 1.00 0.00 C ATOM 0 H ILE B 31 4.620 -7.180 -4.826 1.00 0.00 H new ATOM 0 HA ILE B 31 3.379 -4.881 -6.214 1.00 0.00 H new ATOM 0 HB ILE B 31 2.536 -4.891 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.091 -3.257 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.585 -2.733 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.833 -5.370 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.845 -6.739 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.272 -5.685 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.851 -1.790 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.456 -2.894 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.985 -3.427 -1.696 1.00 0.00 H new ATOM 1239 N ALA B 32 5.617 -3.917 -6.819 1.00 0.00 N ATOM 1240 CA ALA B 32 6.913 -3.385 -7.196 1.00 0.00 C ATOM 1241 C ALA B 32 6.918 -1.869 -7.190 1.00 0.00 C ATOM 1242 O ALA B 32 5.891 -1.232 -7.397 1.00 0.00 O ATOM 1243 CB ALA B 32 7.323 -3.913 -8.560 1.00 0.00 C ATOM 0 H ALA B 32 4.839 -3.602 -7.399 1.00 0.00 H new ATOM 0 HA ALA B 32 7.638 -3.719 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.297 -3.506 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.381 -5.001 -8.527 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.585 -3.612 -9.304 1.00 0.00 H new ATOM 1249 N TRP B 33 8.083 -1.301 -6.964 1.00 0.00 N ATOM 1250 CA TRP B 33 8.242 0.137 -6.918 1.00 0.00 C ATOM 1251 C TRP B 33 9.489 0.541 -7.699 1.00 0.00 C ATOM 1252 O TRP B 33 10.526 -0.126 -7.620 1.00 0.00 O ATOM 1253 CB TRP B 33 8.321 0.590 -5.453 1.00 0.00 C ATOM 1254 CG TRP B 33 8.610 2.047 -5.264 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.702 3.050 -5.096 1.00 0.00 C ATOM 1256 CD2 TRP B 33 9.899 2.658 -5.205 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.352 4.249 -4.945 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.701 4.034 -5.009 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.203 2.174 -5.305 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.758 4.929 -4.909 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.252 3.064 -5.207 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.024 4.430 -5.011 1.00 0.00 C ATOM 0 H TRP B 33 8.946 -1.822 -6.807 1.00 0.00 H new ATOM 0 HA TRP B 33 7.385 0.627 -7.381 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.377 0.354 -4.962 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.095 0.011 -4.949 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.630 2.920 -5.084 1.00 0.00 H new ATOM 0 HE1 TRP B 33 7.902 5.154 -4.807 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.388 1.121 -5.457 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.584 5.984 -4.756 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.266 2.700 -5.283 1.00 0.00 H new ATOM 0 HH2 TRP B 33 12.866 5.103 -4.939 1.00 0.00 H new ATOM 1273 N ALA B 34 9.374 1.612 -8.466 1.00 0.00 N ATOM 1274 CA ALA B 34 10.482 2.110 -9.266 1.00 0.00 C ATOM 1275 C ALA B 34 10.457 3.629 -9.302 1.00 0.00 C ATOM 1276 O ALA B 34 9.384 4.216 -9.384 1.00 0.00 O ATOM 1277 CB ALA B 34 10.411 1.551 -10.678 1.00 0.00 C ATOM 0 H ALA B 34 8.517 2.158 -8.552 1.00 0.00 H new ATOM 0 HA ALA B 34 11.416 1.782 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.247 1.934 -11.263 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.461 0.463 -10.641 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.473 1.855 -11.143 1.00 0.00 H new ATOM 1283 N PRO B 35 11.633 4.275 -9.228 1.00 0.00 N ATOM 1284 CA PRO B 35 11.759 5.739 -9.252 1.00 0.00 C ATOM 1285 C PRO B 35 10.904 6.397 -10.346 1.00 0.00 C ATOM 1286 O PRO B 35 10.812 5.896 -11.470 1.00 0.00 O ATOM 1287 CB PRO B 35 13.257 5.976 -9.496 1.00 0.00 C ATOM 1288 CG PRO B 35 13.858 4.628 -9.743 1.00 0.00 C ATOM 1289 CD PRO B 35 12.942 3.632 -9.099 1.00 0.00 C ATOM 0 HA PRO B 35 11.398 6.187 -8.326 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.413 6.634 -10.351 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.720 6.457 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO B 35 13.952 4.435 -10.812 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.860 4.566 -9.318 1.00 0.00 H new ATOM 0 HD2 PRO B 35 12.972 2.667 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.205 3.453 -8.056 1.00 0.00 H new ATOM 1411 N ILE B 43 12.471 -1.933 -6.243 1.00 0.00 N ATOM 1412 CA ILE B 43 11.719 -2.624 -5.206 1.00 0.00 C ATOM 1413 C ILE B 43 10.739 -3.627 -5.810 1.00 0.00 C ATOM 1414 O ILE B 43 9.984 -3.298 -6.725 1.00 0.00 O ATOM 1415 CB ILE B 43 10.963 -1.609 -4.313 1.00 0.00 C ATOM 1416 CG1 ILE B 43 11.875 -1.121 -3.187 1.00 0.00 C ATOM 1417 CG2 ILE B 43 9.682 -2.206 -3.744 1.00 0.00 C ATOM 1418 CD1 ILE B 43 11.224 -0.105 -2.275 1.00 0.00 C ATOM 0 HA ILE B 43 12.431 -3.173 -4.589 1.00 0.00 H new ATOM 0 HB ILE B 43 10.679 -0.760 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.194 -1.977 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE B 43 12.773 -0.683 -3.623 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.179 -1.464 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.024 -2.501 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE B 43 9.925 -3.080 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE B 43 11.931 0.195 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE B 43 10.929 0.769 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE B 43 10.342 -0.546 -1.810 1.00 0.00 H new ATOM 1430 N SER B 44 10.789 -4.861 -5.322 1.00 0.00 N ATOM 1431 CA SER B 44 9.899 -5.913 -5.792 1.00 0.00 C ATOM 1432 C SER B 44 9.595 -6.898 -4.663 1.00 0.00 C ATOM 1433 O SER B 44 10.442 -7.712 -4.301 1.00 0.00 O ATOM 1434 CB SER B 44 10.521 -6.642 -6.988 1.00 0.00 C ATOM 1435 OG SER B 44 9.710 -7.729 -7.408 1.00 0.00 O ATOM 0 H SER B 44 11.441 -5.158 -4.596 1.00 0.00 H new ATOM 0 HA SER B 44 8.962 -5.458 -6.114 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.653 -5.943 -7.814 1.00 0.00 H new ATOM 0 HB3 SER B 44 11.512 -7.008 -6.719 1.00 0.00 H new ATOM 0 HG SER B 44 10.249 -8.355 -7.936 1.00 0.00 H new ATOM 1441 N HIS B 45 8.392 -6.822 -4.110 1.00 0.00 N ATOM 1442 CA HIS B 45 7.991 -7.713 -3.026 1.00 0.00 C ATOM 1443 C HIS B 45 6.823 -8.574 -3.464 1.00 0.00 C ATOM 1444 O HIS B 45 5.861 -8.082 -4.043 1.00 0.00 O ATOM 1445 CB HIS B 45 7.600 -6.922 -1.769 1.00 0.00 C ATOM 1446 CG HIS B 45 8.633 -5.935 -1.317 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.639 -6.221 -0.419 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.804 -4.638 -1.668 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.373 -5.113 -0.257 1.00 0.00 C ATOM 1450 NE2 HIS B 45 9.908 -4.122 -0.995 1.00 0.00 N ATOM 0 H HIS B 45 7.676 -6.153 -4.393 1.00 0.00 H new ATOM 0 HA HIS B 45 8.844 -8.347 -2.784 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.668 -6.392 -1.963 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.405 -7.624 -0.958 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.182 -4.091 -2.361 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.233 -5.040 0.392 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.280 -3.175 -1.059 1.00 0.00 H new ATOM 1458 N MET B 46 6.918 -9.862 -3.209 1.00 0.00 N ATOM 1459 CA MET B 46 5.851 -10.773 -3.564 1.00 0.00 C ATOM 1460 C MET B 46 4.796 -10.742 -2.471 1.00 0.00 C ATOM 1461 O MET B 46 5.131 -10.654 -1.292 1.00 0.00 O ATOM 1462 CB MET B 46 6.383 -12.200 -3.734 1.00 0.00 C ATOM 1463 CG MET B 46 7.474 -12.333 -4.785 1.00 0.00 C ATOM 1464 SD MET B 46 6.854 -12.130 -6.467 1.00 0.00 S ATOM 1465 CE MET B 46 5.742 -13.530 -6.588 1.00 0.00 C ATOM 0 H MET B 46 7.721 -10.301 -2.758 1.00 0.00 H new ATOM 0 HA MET B 46 5.417 -10.460 -4.514 1.00 0.00 H new ATOM 0 HB2 MET B 46 6.771 -12.549 -2.777 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.554 -12.856 -4.000 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.247 -11.588 -4.595 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.944 -13.312 -4.692 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.585 -13.780 -7.637 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.177 -14.386 -6.072 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.787 -13.277 -6.128 1.00 0.00 H new ATOM 1475 N TYR B 47 3.526 -10.779 -2.858 1.00 0.00 N ATOM 1476 CA TYR B 47 2.437 -10.776 -1.879 1.00 0.00 C ATOM 1477 C TYR B 47 2.621 -11.941 -0.912 1.00 0.00 C ATOM 1478 O TYR B 47 2.310 -11.846 0.273 1.00 0.00 O ATOM 1479 CB TYR B 47 1.074 -10.887 -2.569 1.00 0.00 C ATOM 1480 CG TYR B 47 0.584 -9.605 -3.213 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.252 -9.044 -4.289 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.563 -8.967 -2.753 1.00 0.00 C ATOM 1483 CE1 TYR B 47 0.797 -7.888 -4.890 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -1.022 -7.808 -3.349 1.00 0.00 C ATOM 1485 CZ TYR B 47 -0.338 -7.275 -4.419 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.793 -6.127 -5.026 1.00 0.00 O ATOM 0 H TYR B 47 3.223 -10.811 -3.832 1.00 0.00 H new ATOM 0 HA TYR B 47 2.466 -9.833 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.131 -11.663 -3.333 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.337 -11.214 -1.836 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.146 -9.520 -4.665 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.104 -9.384 -1.916 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.332 -7.467 -5.728 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.912 -7.323 -2.978 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.757 -6.235 -5.999 1.00 0.00 H new ATOM 1496 N ALA B 48 3.149 -13.035 -1.447 1.00 0.00 N ATOM 1497 CA ALA B 48 3.418 -14.248 -0.685 1.00 0.00 C ATOM 1498 C ALA B 48 4.540 -14.078 0.348 1.00 0.00 C ATOM 1499 O ALA B 48 4.850 -15.024 1.072 1.00 0.00 O ATOM 1500 CB ALA B 48 3.775 -15.377 -1.639 1.00 0.00 C ATOM 0 H ALA B 48 3.405 -13.106 -2.432 1.00 0.00 H new ATOM 0 HA ALA B 48 2.509 -14.481 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.976 -16.284 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.943 -15.554 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.662 -15.103 -2.211 1.00 0.00 H new ATOM 1506 N ASP B 49 5.151 -12.897 0.414 1.00 0.00 N ATOM 1507 CA ASP B 49 6.232 -12.645 1.361 1.00 0.00 C ATOM 1508 C ASP B 49 5.865 -11.546 2.346 1.00 0.00 C ATOM 1509 O ASP B 49 6.586 -11.300 3.317 1.00 0.00 O ATOM 1510 CB ASP B 49 7.499 -12.258 0.630 1.00 0.00 C ATOM 1511 CG ASP B 49 8.125 -13.419 -0.114 1.00 0.00 C ATOM 1512 OD1 ASP B 49 8.687 -14.316 0.552 1.00 0.00 O ATOM 1513 OD2 ASP B 49 8.040 -13.447 -1.356 1.00 0.00 O ATOM 0 H ASP B 49 4.915 -12.100 -0.178 1.00 0.00 H new ATOM 0 HA ASP B 49 6.398 -13.568 1.916 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.276 -11.458 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.219 -11.860 1.345 1.00 0.00 H new ATOM 1518 N ILE B 50 4.743 -10.895 2.113 1.00 0.00 N ATOM 1519 CA ILE B 50 4.290 -9.846 3.004 1.00 0.00 C ATOM 1520 C ILE B 50 3.290 -10.426 3.981 1.00 0.00 C ATOM 1521 O ILE B 50 2.412 -11.195 3.595 1.00 0.00 O ATOM 1522 CB ILE B 50 3.650 -8.678 2.240 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.437 -8.404 0.961 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.598 -7.436 3.120 1.00 0.00 C ATOM 1525 CD1 ILE B 50 3.931 -7.218 0.189 1.00 0.00 C ATOM 0 H ILE B 50 4.130 -11.073 1.317 1.00 0.00 H new ATOM 0 HA ILE B 50 5.158 -9.453 3.534 1.00 0.00 H new ATOM 0 HB ILE B 50 2.628 -8.944 1.970 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.484 -8.242 1.216 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.397 -9.287 0.323 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.142 -6.616 2.565 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.005 -7.646 4.011 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.609 -7.156 3.415 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.536 -7.082 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.893 -7.386 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.997 -6.325 0.810 1.00 0.00 H new ATOM 1537 N LYS B 51 3.427 -10.085 5.248 1.00 0.00 N ATOM 1538 CA LYS B 51 2.527 -10.623 6.245 1.00 0.00 C ATOM 1539 C LYS B 51 1.591 -9.562 6.802 1.00 0.00 C ATOM 1540 O LYS B 51 0.452 -9.853 7.151 1.00 0.00 O ATOM 1541 CB LYS B 51 3.302 -11.229 7.404 1.00 0.00 C ATOM 1542 CG LYS B 51 2.493 -12.249 8.184 1.00 0.00 C ATOM 1543 CD LYS B 51 2.587 -12.010 9.679 1.00 0.00 C ATOM 1544 CE LYS B 51 1.623 -10.924 10.149 1.00 0.00 C ATOM 1545 NZ LYS B 51 0.246 -11.098 9.601 1.00 0.00 N ATOM 0 H LYS B 51 4.140 -9.449 5.605 1.00 0.00 H new ATOM 0 HA LYS B 51 1.937 -11.390 5.743 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.205 -11.704 7.022 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.621 -10.433 8.077 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.450 -12.202 7.872 1.00 0.00 H new ATOM 0 HG3 LYS B 51 2.850 -13.252 7.952 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.372 -12.938 10.208 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.607 -11.725 9.937 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.579 -10.930 11.238 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.008 -9.949 9.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 0.051 -10.348 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 0.172 -12.026 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.446 -11.042 10.376 1.00 0.00 H new ATOM 1559 N CYS B 52 2.074 -8.333 6.876 1.00 0.00 N ATOM 1560 CA CYS B 52 1.302 -7.249 7.462 1.00 0.00 C ATOM 1561 C CYS B 52 1.623 -5.934 6.774 1.00 0.00 C ATOM 1562 O CYS B 52 2.612 -5.836 6.045 1.00 0.00 O ATOM 1563 CB CYS B 52 1.642 -7.152 8.954 1.00 0.00 C ATOM 1564 SG CYS B 52 0.335 -6.459 9.985 1.00 0.00 S ATOM 0 H CYS B 52 2.997 -8.061 6.538 1.00 0.00 H new ATOM 0 HA CYS B 52 0.239 -7.452 7.333 1.00 0.00 H new ATOM 0 HB2 CYS B 52 1.886 -8.149 9.322 1.00 0.00 H new ATOM 0 HB3 CYS B 52 2.538 -6.542 9.069 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.664 -7.289 10.035 1.00 0.00 H new ATOM 1570 N GLN B 53 0.796 -4.924 7.002 1.00 0.00 N ATOM 1571 CA GLN B 53 1.029 -3.613 6.395 1.00 0.00 C ATOM 1572 C GLN B 53 0.398 -2.503 7.208 1.00 0.00 C ATOM 1573 O GLN B 53 -0.775 -2.524 7.472 1.00 0.00 O ATOM 1574 CB GLN B 53 0.501 -3.579 4.967 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.959 -3.956 4.858 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.599 -3.397 3.618 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -2.886 -3.143 3.693 1.00 0.00 O flip ATOM 1578 NE2 GLN B 53 -0.943 -3.185 2.607 1.00 0.00 N flip ATOM 0 H GLN B 53 -0.033 -4.980 7.594 1.00 0.00 H new ATOM 0 HA GLN B 53 2.107 -3.449 6.378 1.00 0.00 H new ATOM 0 HB2 GLN B 53 0.642 -2.578 4.559 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.091 -4.259 4.353 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.053 -5.042 4.855 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.493 -3.592 5.736 1.00 0.00 H new ATOM 0 HE21 GLN B 53 0.055 -3.397 2.593 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -1.394 -2.796 1.779 1.00 0.00 H new ATOM 1587 N LYS B 54 1.168 -1.515 7.591 1.00 0.00 N ATOM 1588 CA LYS B 54 0.620 -0.434 8.385 1.00 0.00 C ATOM 1589 C LYS B 54 0.587 0.859 7.580 1.00 0.00 C ATOM 1590 O LYS B 54 1.274 0.984 6.575 1.00 0.00 O ATOM 1591 CB LYS B 54 1.417 -0.261 9.667 1.00 0.00 C ATOM 1592 CG LYS B 54 1.818 -1.569 10.332 1.00 0.00 C ATOM 1593 CD LYS B 54 2.464 -1.324 11.688 1.00 0.00 C ATOM 1594 CE LYS B 54 2.682 -2.619 12.456 1.00 0.00 C ATOM 1595 NZ LYS B 54 2.803 -2.383 13.922 1.00 0.00 N ATOM 0 H LYS B 54 2.161 -1.433 7.372 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.405 -0.686 8.656 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.317 0.313 9.448 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.828 0.326 10.371 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.939 -2.202 10.454 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.512 -2.109 9.688 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.420 -0.820 11.549 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.834 -0.656 12.275 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.851 -3.298 12.265 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.585 -3.109 12.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.579 -3.260 14.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.775 -2.089 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.140 -1.635 14.209 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.211 1.817 8.025 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.362 3.085 7.313 1.00 0.00 C ATOM 1611 C ILE B 55 -0.231 4.284 8.258 1.00 0.00 C ATOM 1612 O ILE B 55 -0.921 4.354 9.257 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.751 3.119 6.642 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.841 2.997 7.714 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.871 1.994 5.632 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -4.105 2.316 7.260 1.00 0.00 C ATOM 0 H ILE B 55 -0.767 1.744 8.877 1.00 0.00 H new ATOM 0 HA ILE B 55 0.431 3.155 6.568 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.875 4.066 6.117 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.435 2.448 8.563 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.092 3.996 8.071 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.855 2.028 5.165 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.102 2.108 4.868 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.742 1.037 6.137 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.815 2.277 8.087 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.542 2.875 6.432 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.875 1.302 6.932 1.00 0.00 H new ATOM 1628 N SER B 56 0.636 5.240 7.957 1.00 0.00 N ATOM 1629 CA SER B 56 0.776 6.391 8.835 1.00 0.00 C ATOM 1630 C SER B 56 -0.363 7.352 8.564 1.00 0.00 C ATOM 1631 O SER B 56 -0.463 7.914 7.458 1.00 0.00 O ATOM 1632 CB SER B 56 2.138 7.075 8.692 1.00 0.00 C ATOM 1633 OG SER B 56 2.432 7.372 7.348 1.00 0.00 O ATOM 0 H SER B 56 1.238 5.244 7.134 1.00 0.00 H new ATOM 0 HA SER B 56 0.727 6.049 9.869 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.147 7.994 9.278 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.915 6.428 9.100 1.00 0.00 H new ATOM 0 HG SER B 56 2.858 8.253 7.293 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.248 7.493 9.575 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.456 8.333 9.530 1.00 0.00 C ATOM 1641 C PRO B 57 -2.186 9.808 9.296 1.00 0.00 C ATOM 1642 O PRO B 57 -1.051 10.281 9.419 1.00 0.00 O ATOM 1643 CB PRO B 57 -3.079 8.148 10.922 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.969 7.646 11.777 1.00 0.00 C ATOM 1645 CD PRO B 57 -1.126 6.811 10.875 1.00 0.00 C ATOM 0 HA PRO B 57 -3.089 8.033 8.695 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.478 9.088 11.304 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.907 7.439 10.893 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.395 8.470 12.201 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.350 7.060 12.613 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -0.091 6.771 11.214 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.485 5.783 10.826 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.262 10.523 8.983 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.209 11.952 8.736 1.00 0.00 C ATOM 1655 C GLU B 58 -2.818 12.687 10.015 1.00 0.00 C ATOM 1656 O GLU B 58 -3.009 12.174 11.122 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.566 12.446 8.221 1.00 0.00 C ATOM 1658 CG GLU B 58 -4.511 13.820 7.573 1.00 0.00 C ATOM 1659 CD GLU B 58 -3.323 13.970 6.644 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -2.224 14.303 7.141 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -3.486 13.741 5.429 1.00 0.00 O ATOM 0 H GLU B 58 -4.196 10.123 8.894 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.456 12.157 7.975 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.953 11.728 7.498 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -5.271 12.474 9.051 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.431 13.993 7.014 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -4.461 14.584 8.349 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.263 13.873 9.857 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.830 14.646 11.000 1.00 0.00 C ATOM 1670 C GLY B 59 -0.325 14.679 11.076 1.00 0.00 C ATOM 1671 O GLY B 59 0.261 15.289 11.969 1.00 0.00 O ATOM 0 H GLY B 59 -2.103 14.318 8.953 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.219 15.662 10.928 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -2.237 14.213 11.914 1.00 0.00 H new ATOM 1675 N LYS B 60 0.297 13.991 10.134 1.00 0.00 N ATOM 1676 CA LYS B 60 1.741 13.935 10.044 1.00 0.00 C ATOM 1677 C LYS B 60 2.189 14.789 8.872 1.00 0.00 C ATOM 1678 O LYS B 60 1.367 15.393 8.191 1.00 0.00 O ATOM 1679 CB LYS B 60 2.219 12.489 9.861 1.00 0.00 C ATOM 1680 CG LYS B 60 1.997 11.605 11.079 1.00 0.00 C ATOM 1681 CD LYS B 60 2.349 10.153 10.785 1.00 0.00 C ATOM 1682 CE LYS B 60 2.031 9.246 11.966 1.00 0.00 C ATOM 1683 NZ LYS B 60 0.693 9.539 12.551 1.00 0.00 N ATOM 0 H LYS B 60 -0.187 13.457 9.412 1.00 0.00 H new ATOM 0 HA LYS B 60 2.176 14.315 10.968 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.701 12.051 9.008 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.282 12.496 9.619 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.604 11.967 11.909 1.00 0.00 H new ATOM 0 HG3 LYS B 60 0.956 11.672 11.394 1.00 0.00 H new ATOM 0 HD2 LYS B 60 1.797 9.815 9.908 1.00 0.00 H new ATOM 0 HD3 LYS B 60 3.409 10.077 10.543 1.00 0.00 H new ATOM 0 HE2 LYS B 60 2.065 8.205 11.643 1.00 0.00 H new ATOM 0 HE3 LYS B 60 2.796 9.368 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.331 8.691 13.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 0.777 10.317 13.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.036 9.814 11.794 1.00 0.00 H new ATOM 1697 N ALA B 61 3.484 14.840 8.631 1.00 0.00 N ATOM 1698 CA ALA B 61 4.006 15.625 7.524 1.00 0.00 C ATOM 1699 C ALA B 61 3.984 14.819 6.236 1.00 0.00 C ATOM 1700 O ALA B 61 4.311 15.333 5.170 1.00 0.00 O ATOM 1701 CB ALA B 61 5.416 16.108 7.830 1.00 0.00 C ATOM 0 H ALA B 61 4.191 14.352 9.180 1.00 0.00 H new ATOM 0 HA ALA B 61 3.365 16.497 7.391 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.790 16.694 6.990 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.402 16.727 8.727 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.067 15.249 7.992 1.00 0.00 H new ATOM 1707 N LYS B 62 3.604 13.550 6.342 1.00 0.00 N ATOM 1708 CA LYS B 62 3.555 12.681 5.180 1.00 0.00 C ATOM 1709 C LYS B 62 2.695 11.443 5.426 1.00 0.00 C ATOM 1710 O LYS B 62 2.873 10.726 6.415 1.00 0.00 O ATOM 1711 CB LYS B 62 4.974 12.261 4.771 1.00 0.00 C ATOM 1712 CG LYS B 62 5.921 12.021 5.941 1.00 0.00 C ATOM 1713 CD LYS B 62 7.315 12.543 5.634 1.00 0.00 C ATOM 1714 CE LYS B 62 8.284 12.268 6.771 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.690 12.526 6.368 1.00 0.00 N ATOM 0 H LYS B 62 3.327 13.106 7.217 1.00 0.00 H new ATOM 0 HA LYS B 62 3.095 13.247 4.370 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.913 11.350 4.176 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.398 13.033 4.129 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.534 12.513 6.833 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.969 10.954 6.161 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.685 12.077 4.721 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.268 13.616 5.448 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.029 12.895 7.626 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.182 11.232 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.323 12.328 7.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.940 11.910 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.793 13.521 6.084 1.00 0.00 H new ATOM 1729 N ILE B 63 1.742 11.229 4.527 1.00 0.00 N ATOM 1730 CA ILE B 63 0.863 10.070 4.578 1.00 0.00 C ATOM 1731 C ILE B 63 1.647 8.892 4.019 1.00 0.00 C ATOM 1732 O ILE B 63 2.171 8.978 2.908 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.419 10.300 3.744 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.149 11.563 4.213 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.342 9.097 3.830 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -0.711 12.827 3.498 1.00 0.00 C ATOM 0 H ILE B 63 1.558 11.855 3.743 1.00 0.00 H new ATOM 0 HA ILE B 63 0.547 9.884 5.604 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.124 10.435 2.703 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.221 11.427 4.066 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -0.987 11.688 5.284 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.237 9.282 3.236 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.828 8.216 3.447 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.625 8.929 4.869 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.273 13.677 3.885 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.354 12.989 3.665 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.899 12.724 2.429 1.00 0.00 H new ATOM 1748 N GLN B 64 1.745 7.794 4.756 1.00 0.00 N ATOM 1749 CA GLN B 64 2.581 6.684 4.279 1.00 0.00 C ATOM 1750 C GLN B 64 2.000 5.297 4.556 1.00 0.00 C ATOM 1751 O GLN B 64 0.993 5.146 5.248 1.00 0.00 O ATOM 1752 CB GLN B 64 3.977 6.770 4.912 1.00 0.00 C ATOM 1753 CG GLN B 64 4.647 8.132 4.819 1.00 0.00 C ATOM 1754 CD GLN B 64 5.703 8.332 5.890 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.724 8.971 5.662 1.00 0.00 O ATOM 1756 NE2 GLN B 64 5.454 7.798 7.076 1.00 0.00 N ATOM 0 H GLN B 64 1.280 7.643 5.651 1.00 0.00 H new ATOM 0 HA GLN B 64 2.628 6.797 3.196 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.900 6.492 5.963 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.621 6.032 4.434 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.105 8.242 3.836 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.891 8.912 4.908 1.00 0.00 H new ATOM 0 HE21 GLN B 64 4.593 7.273 7.228 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.123 7.912 7.837 1.00 0.00 H new ATOM 1765 N LEU B 65 2.663 4.293 3.972 1.00 0.00 N ATOM 1766 CA LEU B 65 2.316 2.883 4.114 1.00 0.00 C ATOM 1767 C LEU B 65 3.583 2.054 4.398 1.00 0.00 C ATOM 1768 O LEU B 65 4.496 2.035 3.576 1.00 0.00 O ATOM 1769 CB LEU B 65 1.694 2.405 2.813 1.00 0.00 C ATOM 1770 CG LEU B 65 1.375 0.913 2.757 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.035 0.634 3.243 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.583 0.376 1.351 1.00 0.00 C ATOM 0 H LEU B 65 3.475 4.447 3.374 1.00 0.00 H new ATOM 0 HA LEU B 65 1.616 2.761 4.941 1.00 0.00 H new ATOM 0 HB2 LEU B 65 0.774 2.964 2.641 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.372 2.647 1.994 1.00 0.00 H new ATOM 0 HG LEU B 65 2.062 0.395 3.426 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.233 -0.437 3.191 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.138 0.973 4.274 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.749 1.165 2.613 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.351 -0.689 1.330 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.927 0.904 0.659 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.621 0.527 1.054 1.00 0.00 H new ATOM 1784 N GLN B 66 3.664 1.396 5.559 1.00 0.00 N ATOM 1785 CA GLN B 66 4.833 0.582 5.867 1.00 0.00 C ATOM 1786 C GLN B 66 4.483 -0.900 5.710 1.00 0.00 C ATOM 1787 O GLN B 66 3.487 -1.381 6.253 1.00 0.00 O ATOM 1788 CB GLN B 66 5.386 0.875 7.272 1.00 0.00 C ATOM 1789 CG GLN B 66 4.820 0.021 8.397 1.00 0.00 C ATOM 1790 CD GLN B 66 5.586 0.195 9.697 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.043 -0.013 10.781 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.850 0.582 9.601 1.00 0.00 N ATOM 0 H GLN B 66 2.947 1.412 6.285 1.00 0.00 H new ATOM 0 HA GLN B 66 5.623 0.840 5.161 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.468 0.744 7.251 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.196 1.923 7.506 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.774 0.282 8.557 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.845 -1.028 8.101 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.265 0.745 8.684 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.407 0.717 10.444 1.00 0.00 H new ATOM 1801 N LEU B 67 5.280 -1.610 4.935 1.00 0.00 N ATOM 1802 CA LEU B 67 5.051 -3.026 4.699 1.00 0.00 C ATOM 1803 C LEU B 67 5.832 -3.861 5.698 1.00 0.00 C ATOM 1804 O LEU B 67 6.984 -3.570 5.986 1.00 0.00 O ATOM 1805 CB LEU B 67 5.476 -3.417 3.279 1.00 0.00 C ATOM 1806 CG LEU B 67 4.745 -2.703 2.141 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.205 -3.243 0.797 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.239 -2.856 2.291 1.00 0.00 C ATOM 0 H LEU B 67 6.096 -1.229 4.455 1.00 0.00 H new ATOM 0 HA LEU B 67 3.984 -3.216 4.818 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.544 -3.226 3.175 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.331 -4.491 3.160 1.00 0.00 H new ATOM 0 HG LEU B 67 4.986 -1.641 2.189 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.676 -2.725 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.277 -3.081 0.687 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.992 -4.311 0.742 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.738 -2.341 1.472 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.977 -3.914 2.269 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.922 -2.423 3.240 1.00 0.00 H new ATOM 1820 N VAL B 68 5.189 -4.879 6.235 1.00 0.00 N ATOM 1821 CA VAL B 68 5.822 -5.779 7.184 1.00 0.00 C ATOM 1822 C VAL B 68 5.863 -7.177 6.587 1.00 0.00 C ATOM 1823 O VAL B 68 4.845 -7.874 6.523 1.00 0.00 O ATOM 1824 CB VAL B 68 5.064 -5.811 8.533 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.612 -6.900 9.450 1.00 0.00 C ATOM 1826 CG2 VAL B 68 5.123 -4.452 9.214 1.00 0.00 C ATOM 0 H VAL B 68 4.217 -5.107 6.028 1.00 0.00 H new ATOM 0 HA VAL B 68 6.832 -5.419 7.380 1.00 0.00 H new ATOM 0 HB VAL B 68 4.020 -6.046 8.325 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.059 -6.897 10.389 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.502 -7.871 8.967 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.667 -6.711 9.649 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.584 -4.496 10.161 1.00 0.00 H new ATOM 0 HG22 VAL B 68 6.163 -4.183 9.400 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.664 -3.702 8.570 1.00 0.00 H new ATOM 1836 N LEU B 69 7.030 -7.580 6.123 1.00 0.00 N ATOM 1837 CA LEU B 69 7.177 -8.888 5.520 1.00 0.00 C ATOM 1838 C LEU B 69 7.400 -9.930 6.603 1.00 0.00 C ATOM 1839 O LEU B 69 8.080 -9.667 7.593 1.00 0.00 O ATOM 1840 CB LEU B 69 8.327 -8.916 4.511 1.00 0.00 C ATOM 1841 CG LEU B 69 8.284 -7.835 3.427 1.00 0.00 C ATOM 1842 CD1 LEU B 69 8.929 -8.332 2.151 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.872 -7.379 3.133 1.00 0.00 C ATOM 0 H LEU B 69 7.884 -7.024 6.152 1.00 0.00 H new ATOM 0 HA LEU B 69 6.259 -9.118 4.979 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.266 -8.822 5.056 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.337 -9.892 4.025 1.00 0.00 H new ATOM 0 HG LEU B 69 8.842 -6.981 3.811 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.888 -7.549 1.394 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.969 -8.593 2.347 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.395 -9.212 1.792 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.891 -6.612 2.358 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.280 -8.227 2.790 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.426 -6.968 4.039 1.00 0.00 H new ATOM 1855 N HIS B 70 6.846 -11.120 6.410 1.00 0.00 N ATOM 1856 CA HIS B 70 6.989 -12.192 7.394 1.00 0.00 C ATOM 1857 C HIS B 70 8.375 -12.825 7.309 1.00 0.00 C ATOM 1858 O HIS B 70 8.658 -13.825 7.961 1.00 0.00 O ATOM 1859 CB HIS B 70 5.892 -13.257 7.224 1.00 0.00 C ATOM 1860 CG HIS B 70 5.592 -13.611 5.800 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.393 -13.364 5.172 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.373 -14.204 4.876 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.496 -13.808 3.916 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.676 -14.334 3.696 1.00 0.00 N ATOM 0 H HIS B 70 6.296 -11.369 5.588 1.00 0.00 H new ATOM 0 HA HIS B 70 6.874 -11.751 8.384 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.193 -14.160 7.755 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.978 -12.899 7.697 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.391 -14.528 5.037 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.710 -13.742 3.179 1.00 0.00 H new ATOM 0 HE2 HIS B 70 6.010 -14.754 2.828 1.00 0.00 H new ATOM 1872 N ALA B 71 9.230 -12.229 6.488 1.00 0.00 N ATOM 1873 CA ALA B 71 10.593 -12.699 6.318 1.00 0.00 C ATOM 1874 C ALA B 71 11.545 -11.862 7.165 1.00 0.00 C ATOM 1875 O ALA B 71 12.750 -12.100 7.183 1.00 0.00 O ATOM 1876 CB ALA B 71 10.991 -12.634 4.852 1.00 0.00 C ATOM 0 H ALA B 71 8.997 -11.411 5.925 1.00 0.00 H new ATOM 0 HA ALA B 71 10.653 -13.736 6.648 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.015 -12.989 4.737 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.321 -13.262 4.265 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.922 -11.604 4.502 1.00 0.00 H new ATOM 1882 N GLY B 72 10.986 -10.881 7.867 1.00 0.00 N ATOM 1883 CA GLY B 72 11.792 -10.013 8.703 1.00 0.00 C ATOM 1884 C GLY B 72 12.219 -8.757 7.973 1.00 0.00 C ATOM 1885 O GLY B 72 13.309 -8.238 8.201 1.00 0.00 O ATOM 0 H GLY B 72 9.988 -10.672 7.871 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.226 -9.740 9.593 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.676 -10.554 9.041 1.00 0.00 H new ATOM 1889 N ASP B 73 11.349 -8.268 7.101 1.00 0.00 N ATOM 1890 CA ASP B 73 11.631 -7.067 6.320 1.00 0.00 C ATOM 1891 C ASP B 73 10.489 -6.065 6.456 1.00 0.00 C ATOM 1892 O ASP B 73 9.352 -6.449 6.731 1.00 0.00 O ATOM 1893 CB ASP B 73 11.842 -7.432 4.844 1.00 0.00 C ATOM 1894 CG ASP B 73 11.986 -6.211 3.952 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.768 -5.306 4.306 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.302 -6.154 2.908 1.00 0.00 O ATOM 0 H ASP B 73 10.437 -8.685 6.914 1.00 0.00 H new ATOM 0 HA ASP B 73 12.543 -6.609 6.703 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.734 -8.052 4.751 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.000 -8.032 4.499 1.00 0.00 H new ATOM 1901 N THR B 74 10.795 -4.790 6.274 1.00 0.00 N ATOM 1902 CA THR B 74 9.799 -3.737 6.364 1.00 0.00 C ATOM 1903 C THR B 74 10.070 -2.669 5.306 1.00 0.00 C ATOM 1904 O THR B 74 11.193 -2.185 5.176 1.00 0.00 O ATOM 1905 CB THR B 74 9.783 -3.083 7.761 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.125 -2.901 8.233 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.001 -3.927 8.757 1.00 0.00 C ATOM 0 H THR B 74 11.736 -4.458 6.061 1.00 0.00 H new ATOM 0 HA THR B 74 8.824 -4.192 6.191 1.00 0.00 H new ATOM 0 HB THR B 74 9.291 -2.114 7.672 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.106 -2.484 9.120 1.00 0.00 H new ATOM 0 HG21 THR B 74 9.008 -3.439 9.732 1.00 0.00 H new ATOM 0 HG22 THR B 74 7.972 -4.036 8.413 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.462 -4.911 8.840 1.00 0.00 H new ATOM 1915 N THR B 75 9.037 -2.293 4.568 1.00 0.00 N ATOM 1916 CA THR B 75 9.174 -1.299 3.516 1.00 0.00 C ATOM 1917 C THR B 75 8.324 -0.062 3.806 1.00 0.00 C ATOM 1918 O THR B 75 7.100 -0.115 3.739 1.00 0.00 O ATOM 1919 CB THR B 75 8.747 -1.894 2.163 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.000 -3.306 2.150 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.494 -1.228 1.018 1.00 0.00 C ATOM 0 H THR B 75 8.093 -2.662 4.679 1.00 0.00 H new ATOM 0 HA THR B 75 10.223 -1.004 3.478 1.00 0.00 H new ATOM 0 HB THR B 75 7.680 -1.714 2.030 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.583 -3.706 1.358 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.175 -1.666 0.072 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.278 -0.160 1.015 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.566 -1.381 1.145 1.00 0.00 H new ATOM 1929 N ASN B 76 8.972 1.048 4.124 1.00 0.00 N ATOM 1930 CA ASN B 76 8.259 2.288 4.425 1.00 0.00 C ATOM 1931 C ASN B 76 8.048 3.105 3.154 1.00 0.00 C ATOM 1932 O ASN B 76 9.003 3.617 2.572 1.00 0.00 O ATOM 1933 CB ASN B 76 9.030 3.110 5.457 1.00 0.00 C ATOM 1934 CG ASN B 76 8.769 2.638 6.873 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.572 1.449 7.121 1.00 0.00 O ATOM 1936 ND2 ASN B 76 8.749 3.568 7.807 1.00 0.00 N ATOM 0 H ASN B 76 9.988 1.120 4.181 1.00 0.00 H new ATOM 0 HA ASN B 76 7.284 2.031 4.840 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.097 3.047 5.246 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.749 4.159 5.368 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.565 3.313 8.777 1.00 0.00 H new ATOM 0 HD22 ASN B 76 8.917 4.543 7.559 1.00 0.00 H new ATOM 1943 N PHE B 77 6.798 3.210 2.719 1.00 0.00 N ATOM 1944 CA PHE B 77 6.469 3.958 1.511 1.00 0.00 C ATOM 1945 C PHE B 77 5.802 5.290 1.835 1.00 0.00 C ATOM 1946 O PHE B 77 4.665 5.330 2.304 1.00 0.00 O ATOM 1947 CB PHE B 77 5.557 3.133 0.602 1.00 0.00 C ATOM 1948 CG PHE B 77 6.294 2.140 -0.249 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.486 2.487 -0.865 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.792 0.864 -0.441 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.163 1.581 -1.653 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.466 -0.049 -1.230 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.654 0.311 -1.836 1.00 0.00 C ATOM 0 H PHE B 77 5.995 2.787 3.185 1.00 0.00 H new ATOM 0 HA PHE B 77 7.406 4.165 0.994 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.829 2.603 1.216 1.00 0.00 H new ATOM 0 HB3 PHE B 77 4.996 3.808 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.889 3.479 -0.726 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.863 0.579 0.031 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.091 1.865 -2.127 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.065 -1.042 -1.372 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.184 -0.400 -2.452 1.00 0.00 H new ATOM 1963 N HIS B 78 6.522 6.367 1.574 1.00 0.00 N ATOM 1964 CA HIS B 78 6.039 7.723 1.809 1.00 0.00 C ATOM 1965 C HIS B 78 5.295 8.217 0.567 1.00 0.00 C ATOM 1966 O HIS B 78 5.881 8.360 -0.503 1.00 0.00 O ATOM 1967 CB HIS B 78 7.255 8.612 2.167 1.00 0.00 C ATOM 1968 CG HIS B 78 7.080 10.112 2.094 1.00 0.00 C ATOM 1969 ND1 HIS B 78 6.093 10.880 1.561 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 8.028 10.998 2.559 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 6.434 12.223 1.690 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 7.604 12.238 2.296 1.00 0.00 N flip ATOM 0 H HIS B 78 7.466 6.328 1.190 1.00 0.00 H new ATOM 0 HA HIS B 78 5.334 7.759 2.639 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.566 8.361 3.181 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.076 8.338 1.504 1.00 0.00 H new ATOM 0 HD2 HIS B 78 8.953 10.736 3.051 1.00 0.00 H new ATOM 0 HE1 HIS B 78 5.859 13.076 1.362 1.00 0.00 H new ATOM 0 HE2 HIS B 78 8.119 13.086 2.534 1.00 0.00 H new ATOM 1980 N PHE B 79 4.001 8.464 0.707 1.00 0.00 N ATOM 1981 CA PHE B 79 3.197 8.945 -0.408 1.00 0.00 C ATOM 1982 C PHE B 79 3.341 10.455 -0.534 1.00 0.00 C ATOM 1983 O PHE B 79 2.693 11.215 0.183 1.00 0.00 O ATOM 1984 CB PHE B 79 1.724 8.565 -0.226 1.00 0.00 C ATOM 1985 CG PHE B 79 1.461 7.094 -0.376 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.691 6.223 0.676 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.983 6.581 -1.571 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.451 4.871 0.538 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.741 5.228 -1.712 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.976 4.372 -0.657 1.00 0.00 C ATOM 0 H PHE B 79 3.486 8.340 1.579 1.00 0.00 H new ATOM 0 HA PHE B 79 3.556 8.473 -1.323 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.394 8.886 0.762 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.124 9.109 -0.955 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.062 6.606 1.615 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.798 7.246 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.635 4.203 1.366 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.368 4.841 -2.649 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.789 3.314 -0.766 1.00 0.00 H new ATOM 2000 N SER B 80 4.202 10.879 -1.445 1.00 0.00 N ATOM 2001 CA SER B 80 4.457 12.294 -1.653 1.00 0.00 C ATOM 2002 C SER B 80 3.727 12.817 -2.887 1.00 0.00 C ATOM 2003 O SER B 80 4.074 13.866 -3.425 1.00 0.00 O ATOM 2004 CB SER B 80 5.964 12.539 -1.782 1.00 0.00 C ATOM 2005 OG SER B 80 6.545 11.701 -2.774 1.00 0.00 O ATOM 0 H SER B 80 4.738 10.260 -2.054 1.00 0.00 H new ATOM 0 HA SER B 80 4.077 12.838 -0.788 1.00 0.00 H new ATOM 0 HB2 SER B 80 6.143 13.584 -2.036 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.447 12.357 -0.822 1.00 0.00 H new ATOM 0 HG SER B 80 5.836 11.237 -3.266 1.00 0.00 H new ATOM 2011 N ASN B 81 2.718 12.083 -3.344 1.00 0.00 N ATOM 2012 CA ASN B 81 1.957 12.505 -4.509 1.00 0.00 C ATOM 2013 C ASN B 81 0.841 13.434 -4.074 1.00 0.00 C ATOM 2014 O ASN B 81 -0.236 12.995 -3.694 1.00 0.00 O ATOM 2015 CB ASN B 81 1.390 11.311 -5.286 1.00 0.00 C ATOM 2016 CG ASN B 81 0.740 11.725 -6.601 1.00 0.00 C ATOM 2017 OD1 ASN B 81 -0.090 11.006 -7.156 1.00 0.00 O ATOM 2018 ND2 ASN B 81 1.107 12.889 -7.116 1.00 0.00 N ATOM 0 H ASN B 81 2.412 11.203 -2.929 1.00 0.00 H new ATOM 0 HA ASN B 81 2.632 13.033 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN B 81 2.191 10.600 -5.489 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.655 10.795 -4.668 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.699 13.209 -7.994 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.797 13.465 -6.634 1.00 0.00 H new ATOM 2025 N GLU B 82 1.122 14.719 -4.140 1.00 0.00 N ATOM 2026 CA GLU B 82 0.181 15.764 -3.747 1.00 0.00 C ATOM 2027 C GLU B 82 -1.215 15.561 -4.352 1.00 0.00 C ATOM 2028 O GLU B 82 -2.224 15.917 -3.739 1.00 0.00 O ATOM 2029 CB GLU B 82 0.745 17.141 -4.147 1.00 0.00 C ATOM 2030 CG GLU B 82 0.852 17.389 -5.657 1.00 0.00 C ATOM 2031 CD GLU B 82 1.555 16.272 -6.415 1.00 0.00 C ATOM 2032 OE1 GLU B 82 2.741 16.003 -6.136 1.00 0.00 O ATOM 2033 OE2 GLU B 82 0.906 15.630 -7.266 1.00 0.00 O ATOM 0 H GLU B 82 2.018 15.078 -4.471 1.00 0.00 H new ATOM 0 HA GLU B 82 0.063 15.710 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.113 17.915 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.735 17.252 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.150 17.518 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.388 18.323 -5.825 1.00 0.00 H new ATOM 2040 N SER B 83 -1.266 14.976 -5.539 1.00 0.00 N ATOM 2041 CA SER B 83 -2.522 14.739 -6.229 1.00 0.00 C ATOM 2042 C SER B 83 -3.416 13.713 -5.513 1.00 0.00 C ATOM 2043 O SER B 83 -4.564 14.015 -5.161 1.00 0.00 O ATOM 2044 CB SER B 83 -2.245 14.266 -7.657 1.00 0.00 C ATOM 2045 OG SER B 83 -1.443 15.196 -8.367 1.00 0.00 O ATOM 0 H SER B 83 -0.442 14.654 -6.048 1.00 0.00 H new ATOM 0 HA SER B 83 -3.062 15.686 -6.237 1.00 0.00 H new ATOM 0 HB2 SER B 83 -1.744 13.298 -7.630 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.189 14.122 -8.183 1.00 0.00 H new ATOM 0 HG SER B 83 -0.504 15.081 -8.111 1.00 0.00 H new ATOM 2051 N THR B 84 -2.904 12.508 -5.285 1.00 0.00 N ATOM 2052 CA THR B 84 -3.713 11.459 -4.675 1.00 0.00 C ATOM 2053 C THR B 84 -3.007 10.694 -3.547 1.00 0.00 C ATOM 2054 O THR B 84 -3.354 9.551 -3.292 1.00 0.00 O ATOM 2055 CB THR B 84 -4.140 10.453 -5.765 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.122 10.379 -6.773 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.458 10.857 -6.408 1.00 0.00 C ATOM 0 H THR B 84 -1.947 12.236 -5.509 1.00 0.00 H new ATOM 0 HA THR B 84 -4.570 11.959 -4.223 1.00 0.00 H new ATOM 0 HB THR B 84 -4.275 9.479 -5.294 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.269 10.129 -6.359 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.729 10.127 -7.171 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.238 10.894 -5.647 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.353 11.840 -6.867 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.071 11.333 -2.845 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.314 10.680 -1.763 1.00 0.00 C ATOM 2067 C ALA B 85 -2.198 9.883 -0.803 1.00 0.00 C ATOM 2068 O ALA B 85 -2.119 8.657 -0.745 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.518 11.712 -0.980 1.00 0.00 C ATOM 0 H ALA B 85 -1.814 12.307 -3.003 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.642 9.970 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA B 85 0.037 11.216 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA B 85 0.180 12.217 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.199 12.444 -0.546 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.033 10.589 -0.051 1.00 0.00 N ATOM 2076 CA VAL B 86 -3.923 9.959 0.923 1.00 0.00 C ATOM 2077 C VAL B 86 -4.844 8.930 0.269 1.00 0.00 C ATOM 2078 O VAL B 86 -5.008 7.817 0.767 1.00 0.00 O ATOM 2079 CB VAL B 86 -4.796 11.009 1.641 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.445 10.412 2.877 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -3.980 12.240 2.003 1.00 0.00 C ATOM 0 H VAL B 86 -3.114 11.605 -0.096 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.280 9.456 1.645 1.00 0.00 H new ATOM 0 HB VAL B 86 -5.585 11.318 0.955 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.056 11.169 3.369 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.074 9.570 2.587 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.672 10.068 3.564 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -4.619 12.964 2.508 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.163 11.953 2.665 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -3.572 12.686 1.096 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.414 9.310 -0.865 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.345 8.455 -1.593 1.00 0.00 C ATOM 2093 C LYS B 87 -5.682 7.154 -2.053 1.00 0.00 C ATOM 2094 O LYS B 87 -6.229 6.068 -1.858 1.00 0.00 O ATOM 2095 CB LYS B 87 -6.912 9.223 -2.791 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.429 10.611 -2.429 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.189 11.608 -3.554 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.443 13.042 -3.107 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.106 14.029 -4.174 1.00 0.00 N ATOM 0 H LYS B 87 -5.247 10.214 -1.306 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.156 8.180 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.137 9.319 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.723 8.645 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.496 10.557 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -6.935 10.959 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.163 11.515 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.840 11.369 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.491 13.154 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -6.851 13.254 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.434 14.974 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.076 14.048 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.573 13.754 -5.062 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.504 7.266 -2.655 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.776 6.099 -3.136 1.00 0.00 C ATOM 2115 C GLU B 88 -3.305 5.247 -1.968 1.00 0.00 C ATOM 2116 O GLU B 88 -3.347 4.022 -2.031 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.582 6.523 -3.995 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.981 7.092 -5.345 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.810 7.670 -6.115 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.353 8.777 -5.767 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.361 7.043 -7.095 1.00 0.00 O ATOM 0 H GLU B 88 -4.032 8.155 -2.822 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.452 5.506 -3.752 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.000 7.268 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.932 5.662 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.448 6.307 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.731 7.869 -5.198 1.00 0.00 H new ATOM 2128 N ARG B 89 -2.881 5.908 -0.898 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.402 5.229 0.305 1.00 0.00 C ATOM 2130 C ARG B 89 -3.422 4.207 0.807 1.00 0.00 C ATOM 2131 O ARG B 89 -3.070 3.068 1.124 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.096 6.266 1.395 1.00 0.00 C ATOM 2133 CG ARG B 89 -1.886 5.687 2.786 1.00 0.00 C ATOM 2134 CD ARG B 89 -3.094 5.943 3.677 1.00 0.00 C ATOM 2135 NE ARG B 89 -2.718 6.101 5.082 1.00 0.00 N ATOM 2136 CZ ARG B 89 -3.582 6.045 6.101 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -4.882 5.881 5.887 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -3.142 6.174 7.343 1.00 0.00 N ATOM 0 H ARG B 89 -2.858 6.926 -0.837 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.489 4.688 0.058 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.202 6.820 1.109 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.916 6.983 1.435 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.705 4.615 2.713 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.998 6.130 3.237 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.611 6.841 3.337 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -3.797 5.115 3.581 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.735 6.264 5.298 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -5.235 5.796 4.934 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.528 5.840 6.676 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -2.147 6.315 7.520 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.798 6.132 8.123 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.683 4.607 0.860 1.00 0.00 N ATOM 2153 CA ASP B 90 -5.737 3.722 1.334 1.00 0.00 C ATOM 2154 C ASP B 90 -6.169 2.722 0.276 1.00 0.00 C ATOM 2155 O ASP B 90 -6.586 1.614 0.610 1.00 0.00 O ATOM 2156 CB ASP B 90 -6.935 4.518 1.840 1.00 0.00 C ATOM 2157 CG ASP B 90 -6.813 4.806 3.317 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.194 3.931 4.123 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -6.300 5.883 3.675 1.00 0.00 O ATOM 0 H ASP B 90 -5.001 5.535 0.582 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.320 3.154 2.166 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.011 5.455 1.289 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.852 3.961 1.650 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.034 3.087 -0.993 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.416 2.187 -2.069 1.00 0.00 C ATOM 2166 C ALA B 91 -5.409 1.061 -2.126 1.00 0.00 C ATOM 2167 O ALA B 91 -5.759 -0.103 -2.320 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.491 2.918 -3.399 1.00 0.00 C ATOM 0 H ALA B 91 -5.667 3.989 -1.298 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.410 1.785 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.779 2.218 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.231 3.715 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.517 3.346 -3.634 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.150 1.432 -1.941 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.063 0.481 -1.909 1.00 0.00 C ATOM 2176 C VAL B 92 -3.253 -0.434 -0.713 1.00 0.00 C ATOM 2177 O VAL B 92 -3.142 -1.650 -0.820 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.701 1.198 -1.800 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.591 0.221 -1.479 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.387 1.947 -3.078 1.00 0.00 C ATOM 0 H VAL B 92 -3.860 2.401 -1.810 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.069 -0.095 -2.835 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.769 1.915 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.356 0.756 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.802 -0.270 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.526 -0.528 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.423 2.445 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.350 1.245 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.162 2.690 -3.264 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.568 0.186 0.422 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.805 -0.525 1.669 1.00 0.00 C ATOM 2192 C LYS B 93 -4.832 -1.630 1.467 1.00 0.00 C ATOM 2193 O LYS B 93 -4.559 -2.804 1.704 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.310 0.462 2.730 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.482 -0.137 4.119 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.910 -0.614 4.381 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.823 0.525 4.820 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.309 1.337 3.670 1.00 0.00 N ATOM 0 H LYS B 93 -3.666 1.198 0.499 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.870 -0.976 2.001 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.612 1.297 2.792 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.267 0.869 2.403 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.796 -0.976 4.236 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.208 0.606 4.868 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.311 -1.071 3.476 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.899 -1.386 5.150 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.677 0.115 5.359 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.286 1.170 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.268 1.685 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.672 2.145 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.327 0.749 2.813 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.006 -1.234 1.021 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.101 -2.168 0.788 1.00 0.00 C ATOM 2214 C ASP B 94 -6.718 -3.244 -0.216 1.00 0.00 C ATOM 2215 O ASP B 94 -6.792 -4.432 0.095 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.344 -1.416 0.311 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.235 -0.993 1.459 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.879 -0.022 2.165 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.283 -1.634 1.664 1.00 0.00 O ATOM 0 H ASP B 94 -6.233 -0.262 0.809 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.322 -2.663 1.734 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.039 -0.535 -0.253 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.910 -2.050 -0.371 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.288 -2.827 -1.403 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.898 -3.767 -2.452 1.00 0.00 C ATOM 2226 C LEU B 95 -4.872 -4.767 -1.930 1.00 0.00 C ATOM 2227 O LEU B 95 -5.027 -5.978 -2.100 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.332 -3.015 -3.660 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.326 -3.805 -4.970 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.748 -4.109 -5.418 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.579 -3.042 -6.052 1.00 0.00 C ATOM 0 H LEU B 95 -6.200 -1.845 -1.664 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.787 -4.315 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.912 -2.104 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.311 -2.710 -3.433 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.810 -4.749 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.723 -4.671 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.252 -4.699 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.289 -3.175 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.586 -3.620 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.065 -2.081 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.549 -2.876 -5.735 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.849 -4.256 -1.262 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.796 -5.092 -0.713 1.00 0.00 C ATOM 2245 C LEU B 96 -3.317 -6.064 0.335 1.00 0.00 C ATOM 2246 O LEU B 96 -3.191 -7.267 0.166 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.688 -4.239 -0.102 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.553 -3.862 -1.052 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.422 -2.922 -0.366 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.171 -5.107 -1.535 1.00 0.00 C ATOM 0 H LEU B 96 -3.727 -3.259 -1.087 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.397 -5.672 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.131 -3.323 0.289 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.265 -4.776 0.747 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.982 -3.352 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.225 -2.663 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.100 -2.015 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.843 -3.412 0.512 1.00 0.00 H new ATOM 0 HD21 LEU B 96 0.977 -4.820 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.587 -5.641 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.530 -5.755 -2.061 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.935 -5.552 1.398 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.415 -6.417 2.477 1.00 0.00 C ATOM 2264 C GLN B 97 -5.455 -7.424 2.001 1.00 0.00 C ATOM 2265 O GLN B 97 -5.649 -8.452 2.640 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.951 -5.607 3.667 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.372 -5.097 3.533 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.962 -4.701 4.875 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.506 -5.347 5.947 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.805 -3.814 4.957 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.114 -4.557 1.536 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.547 -6.982 2.816 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.891 -6.228 4.561 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.292 -4.753 3.827 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.387 -4.238 2.862 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.993 -5.868 3.077 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.131 -3.341 4.114 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.180 -3.550 5.868 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.113 -7.139 0.888 1.00 0.00 N ATOM 2280 CA GLN B 98 -7.114 -8.050 0.350 1.00 0.00 C ATOM 2281 C GLN B 98 -6.452 -9.186 -0.427 1.00 0.00 C ATOM 2282 O GLN B 98 -6.811 -10.353 -0.268 1.00 0.00 O ATOM 2283 CB GLN B 98 -8.090 -7.302 -0.561 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.116 -6.475 0.194 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.876 -5.518 -0.706 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.096 -5.795 -1.884 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.277 -4.380 -0.156 1.00 0.00 N ATOM 0 H GLN B 98 -5.974 -6.289 0.341 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.666 -8.473 1.189 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.525 -6.647 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.610 -8.023 -1.192 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.823 -7.143 0.687 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.614 -5.908 0.978 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.074 -4.188 0.825 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.788 -3.696 -0.714 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.472 -8.844 -1.253 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.781 -9.832 -2.075 1.00 0.00 C ATOM 2298 C LEU B 99 -3.648 -10.525 -1.319 1.00 0.00 C ATOM 2299 O LEU B 99 -3.285 -11.656 -1.641 1.00 0.00 O ATOM 2300 CB LEU B 99 -4.233 -9.164 -3.332 1.00 0.00 C ATOM 2301 CG LEU B 99 -5.286 -8.472 -4.186 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -4.660 -7.355 -5.008 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.989 -9.476 -5.087 1.00 0.00 C ATOM 0 H LEU B 99 -5.136 -7.888 -1.373 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.507 -10.598 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.480 -8.432 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.728 -9.916 -3.938 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.030 -8.030 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.429 -6.873 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.209 -6.621 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.893 -7.770 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.738 -8.962 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.259 -9.950 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.475 -10.236 -4.475 1.00 0.00 H new ATOM 2315 N LEU B 100 -3.106 -9.842 -0.317 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.997 -10.359 0.488 1.00 0.00 C ATOM 2317 C LEU B 100 -2.183 -11.802 0.952 1.00 0.00 C ATOM 2318 O LEU B 100 -1.422 -12.670 0.543 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.726 -9.461 1.699 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.705 -8.363 1.456 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.526 -7.510 2.703 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.605 -8.992 1.037 1.00 0.00 C ATOM 0 H LEU B 100 -3.421 -8.913 -0.037 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.136 -10.352 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.664 -9.004 2.013 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.382 -10.082 2.526 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.058 -7.708 0.660 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.209 -6.730 2.508 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.478 -7.052 2.971 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.181 -8.136 3.526 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.344 -8.210 0.860 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.959 -9.655 1.827 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.457 -9.565 0.122 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.207 -12.101 1.772 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.405 -13.454 2.299 1.00 0.00 C ATOM 2336 C PRO B 101 -3.792 -14.480 1.236 1.00 0.00 C ATOM 2337 O PRO B 101 -3.877 -15.678 1.521 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.513 -13.274 3.328 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.268 -12.078 2.876 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.263 -11.175 2.229 1.00 0.00 C ATOM 0 HA PRO B 101 -2.481 -13.858 2.714 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.156 -14.153 3.373 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.103 -13.127 4.327 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.053 -12.355 2.173 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.754 -11.582 3.717 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.698 -10.622 1.397 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -3.874 -10.439 2.933 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.040 -14.017 0.018 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.393 -14.914 -1.069 1.00 0.00 C ATOM 2350 C LYS B 102 -3.123 -15.513 -1.664 1.00 0.00 C ATOM 2351 O LYS B 102 -3.087 -16.684 -2.038 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.189 -14.181 -2.153 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.394 -13.416 -1.626 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.472 -13.278 -2.692 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.355 -12.059 -2.456 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.827 -11.969 -1.049 1.00 0.00 N ATOM 0 H LYS B 102 -4.003 -13.031 -0.239 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.023 -15.711 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.527 -13.485 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.527 -14.906 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.803 -13.932 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.081 -12.427 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.004 -13.202 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.089 -14.176 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.799 -11.156 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.215 -12.101 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.665 -11.355 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.074 -12.919 -0.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.073 -11.570 -0.455 1.00 0.00 H new ATOM 2370 N PHE B 103 -2.080 -14.694 -1.729 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.790 -15.117 -2.267 1.00 0.00 C ATOM 2372 C PHE B 103 0.148 -15.528 -1.143 1.00 0.00 C ATOM 2373 O PHE B 103 0.919 -16.476 -1.282 1.00 0.00 O ATOM 2374 CB PHE B 103 -0.168 -13.994 -3.096 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.917 -13.713 -4.369 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -1.984 -12.829 -4.382 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -0.556 -14.338 -5.552 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -2.678 -12.576 -5.550 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -1.244 -14.087 -6.723 1.00 0.00 C ATOM 2380 CZ PHE B 103 -2.307 -13.205 -6.723 1.00 0.00 C ATOM 0 H PHE B 103 -2.102 -13.724 -1.413 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.951 -15.980 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -0.132 -13.085 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE B 103 0.862 -14.257 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.277 -12.332 -3.469 1.00 0.00 H new ATOM 0 HD2 PHE B 103 0.273 -15.030 -5.558 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.510 -11.887 -5.546 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -0.951 -14.580 -7.638 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.847 -13.008 -7.637 1.00 0.00 H new