USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 864 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.0466 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc=-0.00643 (180deg=-0.17) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -6.4! C(o=-6.4!,f=-6.5!) USER MOD Single : A 33 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.4!) USER MOD Single : A 39 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.1) USER MOD Single : A 47 ASN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -4.78! C(o=-6.3!,f=-4.8!) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= -0.535 (180deg=-2.39!) USER MOD Single : A 66 GLN : amide:sc= -2.88 K(o=-2.9,f=-4.5!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0999 USER MOD Single : A 79 ASN : amide:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -6.19! C(o=-6.2!,f=-7.7!) USER MOD Single : A 94 GLN : amide:sc=-0.00229 K(o=-0.0023,f=-2.2!) USER MOD Single : A 96 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.2) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.579 USER MOD Single : A 104 THR OG1 : rot -63:sc= 0.322 USER MOD Single : A 106 HIS :FLIP no HD1:sc= -0.876 F(o=-1.5!,f=-0.88) USER MOD Single : A 109 SER OG : rot -0:sc= 0.942 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.539 17.762 -34.235 1.00 0.00 N ATOM 2 CA GLY A 1 3.532 18.436 -33.419 1.00 0.00 C ATOM 3 C GLY A 1 4.718 17.548 -33.098 1.00 0.00 C ATOM 4 O GLY A 1 4.664 16.739 -32.172 1.00 0.00 O ATOM 0 H1 GLY A 1 1.749 18.411 -34.427 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.971 17.467 -35.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.185 16.925 -33.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.880 19.328 -33.939 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.069 18.769 -32.490 1.00 0.00 H new ATOM 8 N SER A 2 5.792 17.697 -33.867 1.00 0.00 N ATOM 9 CA SER A 2 6.995 16.898 -33.664 1.00 0.00 C ATOM 10 C SER A 2 8.108 17.740 -33.048 1.00 0.00 C ATOM 11 O SER A 2 8.199 18.943 -33.292 1.00 0.00 O ATOM 12 CB SER A 2 7.466 16.301 -34.992 1.00 0.00 C ATOM 13 OG SER A 2 7.771 17.319 -35.929 1.00 0.00 O ATOM 0 H SER A 2 5.854 18.364 -34.636 1.00 0.00 H new ATOM 0 HA SER A 2 6.753 16.088 -32.976 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.347 15.682 -34.824 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.691 15.650 -35.397 1.00 0.00 H new ATOM 0 HG SER A 2 8.071 16.912 -36.768 1.00 0.00 H new ATOM 19 N SER A 3 8.954 17.097 -32.249 1.00 0.00 N ATOM 20 CA SER A 3 10.060 17.786 -31.594 1.00 0.00 C ATOM 21 C SER A 3 9.544 18.871 -30.655 1.00 0.00 C ATOM 22 O SER A 3 10.098 19.968 -30.591 1.00 0.00 O ATOM 23 CB SER A 3 10.995 18.401 -32.638 1.00 0.00 C ATOM 24 OG SER A 3 12.265 18.688 -32.078 1.00 0.00 O ATOM 0 H SER A 3 8.895 16.100 -32.040 1.00 0.00 H new ATOM 0 HA SER A 3 10.614 17.055 -31.006 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.110 17.715 -33.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.553 19.316 -33.033 1.00 0.00 H new ATOM 0 HG SER A 3 12.155 19.280 -31.305 1.00 0.00 H new ATOM 30 N GLY A 4 8.477 18.557 -29.926 1.00 0.00 N ATOM 31 CA GLY A 4 7.903 19.515 -28.999 1.00 0.00 C ATOM 32 C GLY A 4 8.752 19.700 -27.757 1.00 0.00 C ATOM 33 O GLY A 4 9.437 20.713 -27.611 1.00 0.00 O ATOM 0 H GLY A 4 8.000 17.656 -29.961 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.785 20.475 -29.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.907 19.182 -28.708 1.00 0.00 H new ATOM 37 N SER A 5 8.707 18.722 -26.859 1.00 0.00 N ATOM 38 CA SER A 5 9.474 18.784 -25.621 1.00 0.00 C ATOM 39 C SER A 5 10.228 17.480 -25.382 1.00 0.00 C ATOM 40 O SER A 5 9.943 16.461 -26.011 1.00 0.00 O ATOM 41 CB SER A 5 8.548 19.075 -24.437 1.00 0.00 C ATOM 42 OG SER A 5 8.064 20.406 -24.484 1.00 0.00 O ATOM 0 H SER A 5 8.147 17.876 -26.966 1.00 0.00 H new ATOM 0 HA SER A 5 10.201 19.591 -25.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.709 18.379 -24.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.085 18.913 -23.503 1.00 0.00 H new ATOM 0 HG SER A 5 7.474 20.567 -23.718 1.00 0.00 H new ATOM 48 N SER A 6 11.194 17.521 -24.469 1.00 0.00 N ATOM 49 CA SER A 6 11.993 16.344 -24.150 1.00 0.00 C ATOM 50 C SER A 6 12.418 16.357 -22.684 1.00 0.00 C ATOM 51 O SER A 6 13.017 17.321 -22.209 1.00 0.00 O ATOM 52 CB SER A 6 13.229 16.281 -25.050 1.00 0.00 C ATOM 53 OG SER A 6 12.862 16.113 -26.408 1.00 0.00 O ATOM 0 H SER A 6 11.442 18.356 -23.938 1.00 0.00 H new ATOM 0 HA SER A 6 11.379 15.460 -24.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.812 17.195 -24.938 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.868 15.455 -24.738 1.00 0.00 H new ATOM 0 HG SER A 6 13.669 16.077 -26.963 1.00 0.00 H new ATOM 59 N GLY A 7 12.101 15.279 -21.973 1.00 0.00 N ATOM 60 CA GLY A 7 12.457 15.186 -20.569 1.00 0.00 C ATOM 61 C GLY A 7 11.479 14.339 -19.778 1.00 0.00 C ATOM 62 O GLY A 7 10.888 14.807 -18.806 1.00 0.00 O ATOM 0 H GLY A 7 11.604 14.469 -22.344 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.457 14.762 -20.478 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.496 16.187 -20.140 1.00 0.00 H new ATOM 66 N MET A 8 11.307 13.090 -20.198 1.00 0.00 N ATOM 67 CA MET A 8 10.394 12.176 -19.522 1.00 0.00 C ATOM 68 C MET A 8 11.118 11.389 -18.435 1.00 0.00 C ATOM 69 O MET A 8 11.904 10.488 -18.727 1.00 0.00 O ATOM 70 CB MET A 8 9.762 11.214 -20.530 1.00 0.00 C ATOM 71 CG MET A 8 8.680 11.854 -21.384 1.00 0.00 C ATOM 72 SD MET A 8 7.868 10.671 -22.478 1.00 0.00 S ATOM 73 CE MET A 8 6.680 9.936 -21.358 1.00 0.00 C ATOM 0 H MET A 8 11.788 12.688 -21.003 1.00 0.00 H new ATOM 0 HA MET A 8 9.608 12.768 -19.054 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.542 10.819 -21.181 1.00 0.00 H new ATOM 0 HB3 MET A 8 9.336 10.366 -19.993 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.935 12.314 -20.735 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.119 12.653 -21.981 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.099 9.182 -21.888 1.00 0.00 H new ATOM 0 HE2 MET A 8 7.206 9.470 -20.525 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.011 10.709 -20.978 1.00 0.00 H new ATOM 83 N ALA A 9 10.849 11.735 -17.180 1.00 0.00 N ATOM 84 CA ALA A 9 11.474 11.059 -16.050 1.00 0.00 C ATOM 85 C ALA A 9 11.633 9.567 -16.323 1.00 0.00 C ATOM 86 O ALA A 9 10.902 8.992 -17.129 1.00 0.00 O ATOM 87 CB ALA A 9 10.659 11.282 -14.785 1.00 0.00 C ATOM 0 H ALA A 9 10.202 12.480 -16.921 1.00 0.00 H new ATOM 0 HA ALA A 9 12.468 11.484 -15.908 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.137 10.771 -13.949 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.601 12.350 -14.573 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.654 10.885 -14.925 1.00 0.00 H new ATOM 93 N ALA A 10 12.593 8.946 -15.646 1.00 0.00 N ATOM 94 CA ALA A 10 12.847 7.520 -15.815 1.00 0.00 C ATOM 95 C ALA A 10 12.063 6.699 -14.796 1.00 0.00 C ATOM 96 O ALA A 10 11.585 7.212 -13.785 1.00 0.00 O ATOM 97 CB ALA A 10 14.336 7.232 -15.694 1.00 0.00 C ATOM 0 H ALA A 10 13.208 9.408 -14.975 1.00 0.00 H new ATOM 0 HA ALA A 10 12.512 7.231 -16.811 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.512 6.164 -15.822 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.877 7.783 -16.463 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.688 7.542 -14.710 1.00 0.00 H new ATOM 103 N PRO A 11 11.926 5.393 -15.068 1.00 0.00 N ATOM 104 CA PRO A 11 11.200 4.473 -14.188 1.00 0.00 C ATOM 105 C PRO A 11 11.937 4.223 -12.876 1.00 0.00 C ATOM 106 O PRO A 11 13.121 3.883 -12.873 1.00 0.00 O ATOM 107 CB PRO A 11 11.120 3.184 -15.010 1.00 0.00 C ATOM 108 CG PRO A 11 12.281 3.255 -15.940 1.00 0.00 C ATOM 109 CD PRO A 11 12.470 4.713 -16.256 1.00 0.00 C ATOM 0 HA PRO A 11 10.228 4.870 -13.897 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.178 2.303 -14.371 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.179 3.120 -15.556 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.176 2.836 -15.480 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.090 2.681 -16.847 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.521 4.957 -16.413 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.937 5.000 -17.163 1.00 0.00 H new ATOM 117 N LEU A 12 11.231 4.393 -11.764 1.00 0.00 N ATOM 118 CA LEU A 12 11.818 4.185 -10.445 1.00 0.00 C ATOM 119 C LEU A 12 11.483 2.795 -9.913 1.00 0.00 C ATOM 120 O LEU A 12 10.435 2.233 -10.233 1.00 0.00 O ATOM 121 CB LEU A 12 11.319 5.251 -9.469 1.00 0.00 C ATOM 122 CG LEU A 12 9.978 4.966 -8.791 1.00 0.00 C ATOM 123 CD1 LEU A 12 10.189 4.206 -7.491 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.222 6.262 -8.537 1.00 0.00 C ATOM 0 H LEU A 12 10.251 4.674 -11.749 1.00 0.00 H new ATOM 0 HA LEU A 12 12.901 4.266 -10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.073 5.387 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.239 6.197 -10.005 1.00 0.00 H new ATOM 0 HG LEU A 12 9.380 4.345 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.224 4.012 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.688 3.260 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.806 4.801 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.270 6.040 -8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.815 6.908 -7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.038 6.768 -9.485 1.00 0.00 H new ATOM 136 N CYS A 13 12.378 2.248 -9.097 1.00 0.00 N ATOM 137 CA CYS A 13 12.176 0.924 -8.519 1.00 0.00 C ATOM 138 C CYS A 13 12.086 1.004 -6.998 1.00 0.00 C ATOM 139 O CYS A 13 12.867 1.705 -6.355 1.00 0.00 O ATOM 140 CB CYS A 13 13.315 -0.012 -8.926 1.00 0.00 C ATOM 141 SG CYS A 13 13.537 -0.169 -10.714 1.00 0.00 S ATOM 0 H CYS A 13 13.250 2.700 -8.821 1.00 0.00 H new ATOM 0 HA CYS A 13 11.235 0.527 -8.901 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.244 0.350 -8.486 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.127 -1.000 -8.506 1.00 0.00 H new ATOM 0 HG CYS A 13 14.524 -0.979 -10.959 1.00 0.00 H new ATOM 147 N VAL A 14 11.127 0.281 -6.429 1.00 0.00 N ATOM 148 CA VAL A 14 10.934 0.270 -4.984 1.00 0.00 C ATOM 149 C VAL A 14 10.674 -1.144 -4.475 1.00 0.00 C ATOM 150 O VAL A 14 9.969 -1.926 -5.113 1.00 0.00 O ATOM 151 CB VAL A 14 9.761 1.177 -4.567 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.031 2.618 -4.970 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.459 0.679 -5.178 1.00 0.00 C ATOM 0 H VAL A 14 10.472 -0.305 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 14 11.854 0.650 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 14 9.664 1.140 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.192 3.244 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.940 2.968 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.155 2.676 -6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.641 1.332 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.542 0.685 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.261 -0.336 -4.834 1.00 0.00 H new ATOM 163 N LYS A 15 11.249 -1.466 -3.321 1.00 0.00 N ATOM 164 CA LYS A 15 11.079 -2.786 -2.724 1.00 0.00 C ATOM 165 C LYS A 15 9.908 -2.794 -1.747 1.00 0.00 C ATOM 166 O LYS A 15 9.984 -2.210 -0.666 1.00 0.00 O ATOM 167 CB LYS A 15 12.361 -3.210 -2.004 1.00 0.00 C ATOM 168 CG LYS A 15 13.386 -3.858 -2.918 1.00 0.00 C ATOM 169 CD LYS A 15 14.784 -3.788 -2.327 1.00 0.00 C ATOM 170 CE LYS A 15 15.389 -2.402 -2.491 1.00 0.00 C ATOM 171 NZ LYS A 15 16.555 -2.195 -1.588 1.00 0.00 N ATOM 0 H LYS A 15 11.837 -0.831 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 15 10.867 -3.495 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.809 -2.335 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.106 -3.907 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.114 -4.900 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.375 -3.361 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.746 -4.047 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.423 -4.525 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.702 -2.263 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.630 -1.648 -2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.939 -1.239 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.252 -2.303 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.290 -2.899 -1.803 1.00 0.00 H new ATOM 185 N VAL A 16 8.825 -3.461 -2.134 1.00 0.00 N ATOM 186 CA VAL A 16 7.638 -3.547 -1.291 1.00 0.00 C ATOM 187 C VAL A 16 7.602 -4.866 -0.528 1.00 0.00 C ATOM 188 O VAL A 16 7.819 -5.933 -1.102 1.00 0.00 O ATOM 189 CB VAL A 16 6.348 -3.412 -2.122 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.123 -3.602 -1.241 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.307 -2.063 -2.825 1.00 0.00 C ATOM 0 H VAL A 16 8.745 -3.950 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 16 7.692 -2.721 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 16 6.342 -4.193 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.221 -3.503 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.150 -4.594 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.118 -2.846 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.389 -1.984 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.336 -1.265 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.167 -1.972 -3.489 1.00 0.00 H new ATOM 201 N GLU A 17 7.325 -4.785 0.770 1.00 0.00 N ATOM 202 CA GLU A 17 7.260 -5.974 1.612 1.00 0.00 C ATOM 203 C GLU A 17 5.995 -5.967 2.466 1.00 0.00 C ATOM 204 O GLU A 17 5.620 -4.940 3.031 1.00 0.00 O ATOM 205 CB GLU A 17 8.495 -6.056 2.512 1.00 0.00 C ATOM 206 CG GLU A 17 8.560 -7.327 3.342 1.00 0.00 C ATOM 207 CD GLU A 17 9.369 -7.153 4.613 1.00 0.00 C ATOM 208 OE1 GLU A 17 10.550 -6.759 4.516 1.00 0.00 O ATOM 209 OE2 GLU A 17 8.820 -7.412 5.705 1.00 0.00 O ATOM 0 H GLU A 17 7.142 -3.910 1.261 1.00 0.00 H new ATOM 0 HA GLU A 17 7.234 -6.848 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.390 -5.990 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.505 -5.195 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.548 -7.640 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.998 -8.125 2.743 1.00 0.00 H new ATOM 216 N PHE A 18 5.342 -7.121 2.553 1.00 0.00 N ATOM 217 CA PHE A 18 4.118 -7.250 3.336 1.00 0.00 C ATOM 218 C PHE A 18 4.300 -8.256 4.469 1.00 0.00 C ATOM 219 O PHE A 18 4.903 -9.313 4.284 1.00 0.00 O ATOM 220 CB PHE A 18 2.956 -7.679 2.438 1.00 0.00 C ATOM 221 CG PHE A 18 2.711 -6.746 1.288 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.528 -6.773 0.169 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.663 -5.840 1.325 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.304 -5.915 -0.891 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.434 -4.980 0.268 1.00 0.00 C ATOM 226 CZ PHE A 18 2.256 -5.017 -0.841 1.00 0.00 C ATOM 0 H PHE A 18 5.640 -7.980 2.091 1.00 0.00 H new ATOM 0 HA PHE A 18 3.891 -6.277 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.157 -8.677 2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.049 -7.748 3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.349 -7.473 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.018 -5.806 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.948 -5.947 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.613 -4.280 0.309 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.080 -4.345 -1.668 1.00 0.00 H new ATOM 236 N GLY A 19 3.774 -7.919 5.642 1.00 0.00 N ATOM 237 CA GLY A 19 3.889 -8.802 6.788 1.00 0.00 C ATOM 238 C GLY A 19 3.247 -10.153 6.545 1.00 0.00 C ATOM 239 O GLY A 19 3.218 -10.640 5.415 1.00 0.00 O ATOM 0 H GLY A 19 3.270 -7.050 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.942 -8.942 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.422 -8.332 7.654 1.00 0.00 H new ATOM 243 N GLY A 20 2.733 -10.763 7.609 1.00 0.00 N ATOM 244 CA GLY A 20 2.098 -12.062 7.485 1.00 0.00 C ATOM 245 C GLY A 20 0.616 -11.956 7.181 1.00 0.00 C ATOM 246 O GLY A 20 -0.107 -11.207 7.838 1.00 0.00 O ATOM 0 H GLY A 20 2.745 -10.381 8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.589 -12.629 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.237 -12.621 8.410 1.00 0.00 H new ATOM 250 N GLY A 21 0.163 -12.706 6.182 1.00 0.00 N ATOM 251 CA GLY A 21 -1.239 -12.677 5.809 1.00 0.00 C ATOM 252 C GLY A 21 -1.488 -11.868 4.552 1.00 0.00 C ATOM 253 O GLY A 21 -2.193 -12.314 3.648 1.00 0.00 O ATOM 0 H GLY A 21 0.742 -13.334 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.592 -13.697 5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.821 -12.257 6.629 1.00 0.00 H new ATOM 257 N ALA A 22 -0.909 -10.673 4.495 1.00 0.00 N ATOM 258 CA ALA A 22 -1.072 -9.799 3.340 1.00 0.00 C ATOM 259 C ALA A 22 -0.290 -10.324 2.140 1.00 0.00 C ATOM 260 O ALA A 22 -0.780 -10.305 1.012 1.00 0.00 O ATOM 261 CB ALA A 22 -0.630 -8.384 3.682 1.00 0.00 C ATOM 0 H ALA A 22 -0.323 -10.288 5.236 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.129 -9.783 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.757 -7.742 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.235 -8.003 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.419 -8.392 3.977 1.00 0.00 H new ATOM 267 N GLU A 23 0.929 -10.791 2.393 1.00 0.00 N ATOM 268 CA GLU A 23 1.778 -11.320 1.332 1.00 0.00 C ATOM 269 C GLU A 23 0.985 -12.238 0.406 1.00 0.00 C ATOM 270 O GLU A 23 1.178 -12.229 -0.810 1.00 0.00 O ATOM 271 CB GLU A 23 2.965 -12.080 1.929 1.00 0.00 C ATOM 272 CG GLU A 23 2.561 -13.307 2.729 1.00 0.00 C ATOM 273 CD GLU A 23 3.703 -13.868 3.554 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.171 -13.166 4.474 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.128 -15.010 3.278 1.00 0.00 O ATOM 0 H GLU A 23 1.350 -10.814 3.322 1.00 0.00 H new ATOM 0 HA GLU A 23 2.151 -10.479 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.633 -12.385 1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.530 -11.406 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.733 -13.049 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.198 -14.077 2.048 1.00 0.00 H new ATOM 282 N LEU A 24 0.094 -13.031 0.991 1.00 0.00 N ATOM 283 CA LEU A 24 -0.729 -13.956 0.220 1.00 0.00 C ATOM 284 C LEU A 24 -1.488 -13.223 -0.881 1.00 0.00 C ATOM 285 O LEU A 24 -1.607 -13.717 -2.003 1.00 0.00 O ATOM 286 CB LEU A 24 -1.714 -14.680 1.139 1.00 0.00 C ATOM 287 CG LEU A 24 -1.097 -15.491 2.279 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.160 -15.877 3.296 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.402 -16.731 1.736 1.00 0.00 C ATOM 0 H LEU A 24 -0.077 -13.052 1.996 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.070 -14.689 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.389 -13.940 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.322 -15.350 0.531 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.353 -14.871 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.702 -16.454 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.613 -14.976 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.928 -16.479 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.031 -17.296 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.126 -17.354 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.388 -16.433 1.046 1.00 0.00 H new ATOM 301 N LEU A 25 -1.997 -12.040 -0.554 1.00 0.00 N ATOM 302 CA LEU A 25 -2.743 -11.236 -1.516 1.00 0.00 C ATOM 303 C LEU A 25 -1.848 -10.800 -2.672 1.00 0.00 C ATOM 304 O LEU A 25 -2.319 -10.225 -3.653 1.00 0.00 O ATOM 305 CB LEU A 25 -3.342 -10.008 -0.829 1.00 0.00 C ATOM 306 CG LEU A 25 -4.490 -10.278 0.145 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.506 -9.235 1.252 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.821 -10.297 -0.591 1.00 0.00 C ATOM 0 H LEU A 25 -1.907 -11.616 0.370 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.550 -11.850 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.547 -9.494 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.698 -9.323 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.334 -11.257 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.329 -9.443 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.563 -9.269 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.637 -8.244 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.626 -10.490 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.985 -9.333 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.807 -11.082 -1.347 1.00 0.00 H new ATOM 320 N PHE A 26 -0.554 -11.080 -2.549 1.00 0.00 N ATOM 321 CA PHE A 26 0.408 -10.717 -3.583 1.00 0.00 C ATOM 322 C PHE A 26 1.358 -11.876 -3.873 1.00 0.00 C ATOM 323 O PHE A 26 2.428 -11.980 -3.272 1.00 0.00 O ATOM 324 CB PHE A 26 1.205 -9.483 -3.158 1.00 0.00 C ATOM 325 CG PHE A 26 0.343 -8.332 -2.724 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.219 -8.308 -1.458 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.094 -7.274 -3.584 1.00 0.00 C ATOM 328 CE1 PHE A 26 -1.012 -7.251 -1.056 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.699 -6.213 -3.187 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.254 -6.202 -1.922 1.00 0.00 C ATOM 0 H PHE A 26 -0.148 -11.557 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.145 -10.487 -4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.872 -9.755 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.834 -9.163 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.035 -9.126 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.524 -7.278 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.443 -7.244 -0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.884 -5.393 -3.865 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.876 -5.375 -1.611 1.00 0.00 H new ATOM 340 N ASP A 27 0.958 -12.744 -4.795 1.00 0.00 N ATOM 341 CA ASP A 27 1.773 -13.895 -5.165 1.00 0.00 C ATOM 342 C ASP A 27 2.426 -14.517 -3.935 1.00 0.00 C ATOM 343 O ASP A 27 3.496 -15.118 -4.024 1.00 0.00 O ATOM 344 CB ASP A 27 2.847 -13.484 -6.175 1.00 0.00 C ATOM 345 CG ASP A 27 2.287 -12.640 -7.303 1.00 0.00 C ATOM 346 OD1 ASP A 27 1.458 -13.161 -8.078 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.679 -11.460 -7.412 1.00 0.00 O ATOM 0 H ASP A 27 0.075 -12.673 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 27 1.120 -14.638 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.630 -12.926 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.312 -14.378 -6.590 1.00 0.00 H new ATOM 352 N GLY A 28 1.775 -14.367 -2.785 1.00 0.00 N ATOM 353 CA GLY A 28 2.308 -14.917 -1.553 1.00 0.00 C ATOM 354 C GLY A 28 3.818 -14.819 -1.480 1.00 0.00 C ATOM 355 O GLY A 28 4.518 -15.829 -1.559 1.00 0.00 O ATOM 0 H GLY A 28 0.888 -13.874 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.871 -14.390 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.010 -15.962 -1.467 1.00 0.00 H new ATOM 359 N VAL A 29 4.324 -13.599 -1.329 1.00 0.00 N ATOM 360 CA VAL A 29 5.762 -13.372 -1.245 1.00 0.00 C ATOM 361 C VAL A 29 6.092 -12.318 -0.194 1.00 0.00 C ATOM 362 O VAL A 29 5.344 -11.359 -0.004 1.00 0.00 O ATOM 363 CB VAL A 29 6.339 -12.927 -2.602 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.819 -12.598 -2.471 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.115 -14.002 -3.655 1.00 0.00 C ATOM 0 H VAL A 29 3.759 -12.752 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 29 6.216 -14.320 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 29 5.817 -12.025 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.209 -12.286 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.950 -11.791 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.359 -13.481 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.529 -13.670 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.609 -14.923 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.046 -14.184 -3.768 1.00 0.00 H new ATOM 375 N LYS A 30 7.218 -12.502 0.487 1.00 0.00 N ATOM 376 CA LYS A 30 7.650 -11.567 1.519 1.00 0.00 C ATOM 377 C LYS A 30 8.111 -10.251 0.901 1.00 0.00 C ATOM 378 O LYS A 30 7.695 -9.173 1.328 1.00 0.00 O ATOM 379 CB LYS A 30 8.782 -12.178 2.348 1.00 0.00 C ATOM 380 CG LYS A 30 8.382 -13.445 3.084 1.00 0.00 C ATOM 381 CD LYS A 30 8.634 -14.683 2.240 1.00 0.00 C ATOM 382 CE LYS A 30 8.604 -15.948 3.084 1.00 0.00 C ATOM 383 NZ LYS A 30 9.799 -16.055 3.966 1.00 0.00 N ATOM 0 H LYS A 30 7.848 -13.291 0.343 1.00 0.00 H new ATOM 0 HA LYS A 30 6.800 -11.364 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.623 -12.400 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.129 -11.441 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.943 -13.518 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.326 -13.394 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.880 -14.750 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.602 -14.597 1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.701 -15.956 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.556 -16.819 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.867 -17.022 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.656 -15.836 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.711 -15.382 4.754 1.00 0.00 H new ATOM 397 N LYS A 31 8.971 -10.344 -0.107 1.00 0.00 N ATOM 398 CA LYS A 31 9.486 -9.162 -0.786 1.00 0.00 C ATOM 399 C LYS A 31 9.031 -9.128 -2.241 1.00 0.00 C ATOM 400 O LYS A 31 9.038 -10.150 -2.928 1.00 0.00 O ATOM 401 CB LYS A 31 11.015 -9.135 -0.718 1.00 0.00 C ATOM 402 CG LYS A 31 11.556 -8.714 0.638 1.00 0.00 C ATOM 403 CD LYS A 31 13.019 -9.092 0.795 1.00 0.00 C ATOM 404 CE LYS A 31 13.464 -9.004 2.247 1.00 0.00 C ATOM 405 NZ LYS A 31 13.464 -7.600 2.743 1.00 0.00 N ATOM 0 H LYS A 31 9.326 -11.228 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 31 9.090 -8.282 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.399 -10.126 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.392 -8.451 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.443 -7.637 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.970 -9.186 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.176 -10.106 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.634 -8.432 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.802 -9.608 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.465 -9.424 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.773 -7.583 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.115 -7.029 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.504 -7.207 2.672 1.00 0.00 H new ATOM 419 N HIS A 32 8.637 -7.946 -2.706 1.00 0.00 N ATOM 420 CA HIS A 32 8.181 -7.780 -4.082 1.00 0.00 C ATOM 421 C HIS A 32 8.878 -6.596 -4.746 1.00 0.00 C ATOM 422 O HIS A 32 8.841 -5.477 -4.236 1.00 0.00 O ATOM 423 CB HIS A 32 6.665 -7.579 -4.118 1.00 0.00 C ATOM 424 CG HIS A 32 5.929 -8.398 -3.103 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.252 -9.557 -3.418 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.767 -8.220 -1.770 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.703 -10.055 -2.324 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.002 -9.263 -1.310 1.00 0.00 N ATOM 0 H HIS A 32 8.624 -7.090 -2.151 1.00 0.00 H new ATOM 0 HA HIS A 32 8.434 -8.685 -4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.442 -6.525 -3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.297 -7.831 -5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.165 -7.409 -1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.111 -10.956 -2.268 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.712 -9.404 -0.342 1.00 0.00 H new ATOM 437 N GLN A 33 9.513 -6.853 -5.885 1.00 0.00 N ATOM 438 CA GLN A 33 10.220 -5.809 -6.617 1.00 0.00 C ATOM 439 C GLN A 33 9.258 -5.011 -7.492 1.00 0.00 C ATOM 440 O GLN A 33 8.636 -5.556 -8.405 1.00 0.00 O ATOM 441 CB GLN A 33 11.326 -6.420 -7.479 1.00 0.00 C ATOM 442 CG GLN A 33 12.615 -6.682 -6.718 1.00 0.00 C ATOM 443 CD GLN A 33 12.390 -7.465 -5.440 1.00 0.00 C ATOM 444 OE1 GLN A 33 11.618 -8.424 -5.414 1.00 0.00 O ATOM 445 NE2 GLN A 33 13.064 -7.060 -4.370 1.00 0.00 N ATOM 0 H GLN A 33 9.552 -7.774 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 33 10.669 -5.131 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.968 -7.358 -7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.536 -5.751 -8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 33 13.305 -7.231 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.090 -5.731 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.694 -6.260 -4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.952 -7.549 -3.482 1.00 0.00 H new ATOM 454 N VAL A 34 9.141 -3.718 -7.209 1.00 0.00 N ATOM 455 CA VAL A 34 8.256 -2.845 -7.971 1.00 0.00 C ATOM 456 C VAL A 34 9.052 -1.887 -8.849 1.00 0.00 C ATOM 457 O VAL A 34 10.099 -1.382 -8.445 1.00 0.00 O ATOM 458 CB VAL A 34 7.337 -2.030 -7.042 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.402 -1.148 -7.856 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.548 -2.955 -6.127 1.00 0.00 C ATOM 0 H VAL A 34 9.648 -3.251 -6.457 1.00 0.00 H new ATOM 0 HA VAL A 34 7.644 -3.488 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 34 7.958 -1.385 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.760 -0.580 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.989 -0.460 -8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.786 -1.771 -8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.904 -2.362 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.936 -3.627 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.238 -3.540 -5.518 1.00 0.00 H new ATOM 470 N ALA A 35 8.548 -1.641 -10.054 1.00 0.00 N ATOM 471 CA ALA A 35 9.210 -0.741 -10.990 1.00 0.00 C ATOM 472 C ALA A 35 8.213 0.222 -11.625 1.00 0.00 C ATOM 473 O ALA A 35 7.648 -0.060 -12.682 1.00 0.00 O ATOM 474 CB ALA A 35 9.935 -1.537 -12.065 1.00 0.00 C ATOM 0 H ALA A 35 7.683 -2.053 -10.405 1.00 0.00 H new ATOM 0 HA ALA A 35 9.940 -0.153 -10.434 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.425 -0.852 -12.757 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.683 -2.179 -11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.217 -2.151 -12.609 1.00 0.00 H new ATOM 480 N LEU A 36 7.999 1.360 -10.973 1.00 0.00 N ATOM 481 CA LEU A 36 7.069 2.366 -11.474 1.00 0.00 C ATOM 482 C LEU A 36 7.643 3.080 -12.694 1.00 0.00 C ATOM 483 O LEU A 36 8.853 3.270 -12.820 1.00 0.00 O ATOM 484 CB LEU A 36 6.747 3.383 -10.378 1.00 0.00 C ATOM 485 CG LEU A 36 6.502 2.810 -8.982 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.700 3.882 -7.922 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.104 2.216 -8.887 1.00 0.00 C ATOM 0 H LEU A 36 8.457 1.609 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 36 6.151 1.859 -11.772 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.570 4.095 -10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.862 3.944 -10.679 1.00 0.00 H new ATOM 0 HG LEU A 36 7.226 2.015 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.521 3.455 -6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.721 4.261 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.000 4.699 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.947 1.813 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.365 2.992 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.997 1.417 -9.621 1.00 0.00 H new ATOM 499 N PRO A 37 6.756 3.488 -13.613 1.00 0.00 N ATOM 500 CA PRO A 37 7.151 4.191 -14.838 1.00 0.00 C ATOM 501 C PRO A 37 7.658 5.601 -14.559 1.00 0.00 C ATOM 502 O PRO A 37 7.685 6.046 -13.412 1.00 0.00 O ATOM 503 CB PRO A 37 5.856 4.239 -15.652 1.00 0.00 C ATOM 504 CG PRO A 37 4.768 4.159 -14.639 1.00 0.00 C ATOM 505 CD PRO A 37 5.298 3.295 -13.528 1.00 0.00 C ATOM 0 HA PRO A 37 7.973 3.690 -15.349 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.788 5.158 -16.234 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.801 3.410 -16.358 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.505 5.150 -14.270 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.864 3.729 -15.070 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.908 3.603 -12.558 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.022 2.249 -13.665 1.00 0.00 H new ATOM 513 N GLY A 38 8.060 6.301 -15.616 1.00 0.00 N ATOM 514 CA GLY A 38 8.561 7.654 -15.463 1.00 0.00 C ATOM 515 C GLY A 38 7.637 8.687 -16.077 1.00 0.00 C ATOM 516 O GLY A 38 7.140 8.501 -17.188 1.00 0.00 O ATOM 0 H GLY A 38 8.047 5.955 -16.575 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.692 7.872 -14.403 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.544 7.729 -15.927 1.00 0.00 H new ATOM 520 N GLN A 39 7.405 9.777 -15.353 1.00 0.00 N ATOM 521 CA GLN A 39 6.532 10.842 -15.833 1.00 0.00 C ATOM 522 C GLN A 39 6.997 12.200 -15.319 1.00 0.00 C ATOM 523 O GLN A 39 8.011 12.299 -14.630 1.00 0.00 O ATOM 524 CB GLN A 39 5.089 10.584 -15.395 1.00 0.00 C ATOM 525 CG GLN A 39 4.978 9.861 -14.062 1.00 0.00 C ATOM 526 CD GLN A 39 3.606 10.004 -13.434 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.668 10.490 -14.067 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.481 9.580 -12.181 1.00 0.00 N ATOM 0 H GLN A 39 7.809 9.946 -14.432 1.00 0.00 H new ATOM 0 HA GLN A 39 6.577 10.851 -16.922 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.563 11.536 -15.327 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.585 9.995 -16.161 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.199 8.803 -14.207 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.730 10.253 -13.377 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.285 9.184 -11.694 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.581 9.651 -11.706 1.00 0.00 H new ATOM 537 N GLU A 40 6.248 13.244 -15.660 1.00 0.00 N ATOM 538 CA GLU A 40 6.585 14.597 -15.233 1.00 0.00 C ATOM 539 C GLU A 40 6.480 14.732 -13.717 1.00 0.00 C ATOM 540 O GLU A 40 7.251 15.461 -13.094 1.00 0.00 O ATOM 541 CB GLU A 40 5.664 15.614 -15.911 1.00 0.00 C ATOM 542 CG GLU A 40 4.227 15.556 -15.421 1.00 0.00 C ATOM 543 CD GLU A 40 3.458 14.388 -16.006 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.426 14.260 -17.247 1.00 0.00 O ATOM 545 OE2 GLU A 40 2.888 13.601 -15.221 1.00 0.00 O ATOM 0 H GLU A 40 5.405 13.179 -16.230 1.00 0.00 H new ATOM 0 HA GLU A 40 7.615 14.797 -15.528 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.057 16.617 -15.741 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.679 15.444 -16.988 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.221 15.482 -14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.721 16.486 -15.680 1.00 0.00 H new ATOM 552 N GLU A 41 5.521 14.023 -13.131 1.00 0.00 N ATOM 553 CA GLU A 41 5.314 14.064 -11.688 1.00 0.00 C ATOM 554 C GLU A 41 5.833 12.790 -11.027 1.00 0.00 C ATOM 555 O GLU A 41 5.697 11.686 -11.556 1.00 0.00 O ATOM 556 CB GLU A 41 3.830 14.249 -11.368 1.00 0.00 C ATOM 557 CG GLU A 41 2.939 13.176 -11.970 1.00 0.00 C ATOM 558 CD GLU A 41 1.508 13.261 -11.476 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.706 13.986 -12.102 1.00 0.00 O ATOM 560 OE2 GLU A 41 1.189 12.603 -10.464 1.00 0.00 O ATOM 0 H GLU A 41 4.875 13.413 -13.633 1.00 0.00 H new ATOM 0 HA GLU A 41 5.872 14.912 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.698 14.254 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.507 15.224 -11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.950 13.267 -13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.345 12.194 -11.728 1.00 0.00 H new ATOM 567 N PRO A 42 6.444 12.944 -9.843 1.00 0.00 N ATOM 568 CA PRO A 42 6.996 11.818 -9.084 1.00 0.00 C ATOM 569 C PRO A 42 5.908 10.913 -8.516 1.00 0.00 C ATOM 570 O PRO A 42 4.853 11.386 -8.091 1.00 0.00 O ATOM 571 CB PRO A 42 7.770 12.498 -7.953 1.00 0.00 C ATOM 572 CG PRO A 42 7.109 13.822 -7.784 1.00 0.00 C ATOM 573 CD PRO A 42 6.642 14.230 -9.154 1.00 0.00 C ATOM 0 HA PRO A 42 7.609 11.168 -9.708 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.724 11.913 -7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.824 12.611 -8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.271 13.754 -7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.803 14.555 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.719 14.808 -9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.381 14.849 -9.663 1.00 0.00 H new ATOM 581 N TRP A 43 6.170 9.612 -8.510 1.00 0.00 N ATOM 582 CA TRP A 43 5.213 8.641 -7.993 1.00 0.00 C ATOM 583 C TRP A 43 4.975 8.852 -6.502 1.00 0.00 C ATOM 584 O TRP A 43 5.859 8.604 -5.682 1.00 0.00 O ATOM 585 CB TRP A 43 5.711 7.217 -8.246 1.00 0.00 C ATOM 586 CG TRP A 43 5.296 6.670 -9.578 1.00 0.00 C ATOM 587 CD1 TRP A 43 6.003 6.729 -10.745 1.00 0.00 C ATOM 588 CD2 TRP A 43 4.077 5.982 -9.879 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.296 6.120 -11.754 1.00 0.00 N ATOM 590 CE2 TRP A 43 4.112 5.653 -11.248 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.960 5.611 -9.126 1.00 0.00 C ATOM 592 CZ2 TRP A 43 3.073 4.971 -11.877 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.930 4.935 -9.751 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.992 4.620 -11.115 1.00 0.00 C ATOM 0 H TRP A 43 7.038 9.204 -8.858 1.00 0.00 H new ATOM 0 HA TRP A 43 4.268 8.786 -8.517 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.799 7.203 -8.179 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.334 6.563 -7.459 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.975 7.187 -10.858 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.603 6.030 -12.723 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.903 5.849 -8.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.119 4.728 -12.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.062 4.644 -9.178 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.171 4.090 -11.574 1.00 0.00 H new ATOM 605 N ASP A 44 3.776 9.311 -6.158 1.00 0.00 N ATOM 606 CA ASP A 44 3.422 9.554 -4.764 1.00 0.00 C ATOM 607 C ASP A 44 2.562 8.420 -4.216 1.00 0.00 C ATOM 608 O ASP A 44 1.835 7.764 -4.962 1.00 0.00 O ATOM 609 CB ASP A 44 2.681 10.885 -4.629 1.00 0.00 C ATOM 610 CG ASP A 44 1.888 11.235 -5.873 1.00 0.00 C ATOM 611 OD1 ASP A 44 1.320 10.312 -6.494 1.00 0.00 O ATOM 612 OD2 ASP A 44 1.835 12.432 -6.225 1.00 0.00 O ATOM 0 H ASP A 44 3.034 9.522 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 44 4.343 9.600 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.007 10.837 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.400 11.679 -4.425 1.00 0.00 H new ATOM 617 N ILE A 45 2.650 8.195 -2.910 1.00 0.00 N ATOM 618 CA ILE A 45 1.880 7.141 -2.263 1.00 0.00 C ATOM 619 C ILE A 45 0.462 7.075 -2.820 1.00 0.00 C ATOM 620 O ILE A 45 -0.019 6.007 -3.199 1.00 0.00 O ATOM 621 CB ILE A 45 1.811 7.348 -0.738 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.217 7.535 -0.163 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.114 6.170 -0.074 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.177 6.429 -0.542 1.00 0.00 C ATOM 0 H ILE A 45 3.247 8.729 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 45 2.394 6.203 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 45 1.232 8.249 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.618 8.488 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.152 7.592 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.073 6.331 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.101 6.079 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.668 5.255 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.153 6.627 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.798 5.476 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.272 6.386 -1.627 1.00 0.00 H new ATOM 636 N ARG A 46 -0.203 8.225 -2.868 1.00 0.00 N ATOM 637 CA ARG A 46 -1.566 8.299 -3.380 1.00 0.00 C ATOM 638 C ARG A 46 -1.734 7.412 -4.610 1.00 0.00 C ATOM 639 O ARG A 46 -2.584 6.523 -4.635 1.00 0.00 O ATOM 640 CB ARG A 46 -1.926 9.745 -3.728 1.00 0.00 C ATOM 641 CG ARG A 46 -3.406 9.955 -4.003 1.00 0.00 C ATOM 642 CD ARG A 46 -3.641 11.171 -4.885 1.00 0.00 C ATOM 643 NE ARG A 46 -3.585 12.417 -4.126 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.541 12.813 -3.292 1.00 0.00 C ATOM 645 NH1 ARG A 46 -5.620 12.064 -3.112 1.00 0.00 N ATOM 646 NH2 ARG A 46 -4.418 13.960 -2.637 1.00 0.00 N ATOM 0 H ARG A 46 0.180 9.118 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.239 7.942 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.622 10.394 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.355 10.052 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.817 9.069 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.938 10.080 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.892 11.195 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.614 11.085 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.768 13.016 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.718 11.182 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.352 12.370 -2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.589 14.539 -2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.152 14.263 -1.997 1.00 0.00 H new ATOM 660 N ASN A 47 -0.917 7.660 -5.628 1.00 0.00 N ATOM 661 CA ASN A 47 -0.975 6.885 -6.862 1.00 0.00 C ATOM 662 C ASN A 47 -0.442 5.472 -6.642 1.00 0.00 C ATOM 663 O ASN A 47 -1.070 4.491 -7.043 1.00 0.00 O ATOM 664 CB ASN A 47 -0.173 7.579 -7.964 1.00 0.00 C ATOM 665 CG ASN A 47 -0.967 8.667 -8.660 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.592 8.430 -9.694 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.947 9.868 -8.094 1.00 0.00 N ATOM 0 H ASN A 47 -0.207 8.392 -5.623 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.018 6.817 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.731 8.011 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.145 6.839 -8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.463 10.640 -8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.415 10.019 -7.237 1.00 0.00 H new ATOM 674 N LEU A 48 0.718 5.376 -6.003 1.00 0.00 N ATOM 675 CA LEU A 48 1.336 4.084 -5.729 1.00 0.00 C ATOM 676 C LEU A 48 0.278 3.027 -5.430 1.00 0.00 C ATOM 677 O LEU A 48 0.365 1.894 -5.906 1.00 0.00 O ATOM 678 CB LEU A 48 2.306 4.199 -4.552 1.00 0.00 C ATOM 679 CG LEU A 48 3.235 3.006 -4.328 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.510 3.162 -5.143 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.561 2.854 -2.849 1.00 0.00 C ATOM 0 H LEU A 48 1.250 6.178 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 48 1.888 3.778 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.919 5.089 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.726 4.357 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 48 2.723 2.104 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.159 2.303 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.260 3.221 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.026 4.073 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.223 2.000 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.053 3.758 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.640 2.695 -2.288 1.00 0.00 H new ATOM 693 N LEU A 49 -0.721 3.404 -4.640 1.00 0.00 N ATOM 694 CA LEU A 49 -1.798 2.490 -4.279 1.00 0.00 C ATOM 695 C LEU A 49 -2.449 1.896 -5.524 1.00 0.00 C ATOM 696 O LEU A 49 -2.580 0.678 -5.649 1.00 0.00 O ATOM 697 CB LEU A 49 -2.849 3.215 -3.437 1.00 0.00 C ATOM 698 CG LEU A 49 -2.637 3.180 -1.923 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.484 1.747 -1.439 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.422 4.009 -1.535 1.00 0.00 C ATOM 0 H LEU A 49 -0.807 4.337 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.369 1.677 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.884 4.257 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.824 2.781 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.515 3.612 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.334 1.742 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.384 1.182 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.624 1.288 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.287 3.972 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.536 3.607 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.572 5.043 -1.847 1.00 0.00 H new ATOM 712 N VAL A 50 -2.854 2.765 -6.445 1.00 0.00 N ATOM 713 CA VAL A 50 -3.489 2.327 -7.683 1.00 0.00 C ATOM 714 C VAL A 50 -2.690 1.209 -8.344 1.00 0.00 C ATOM 715 O VAL A 50 -3.260 0.255 -8.874 1.00 0.00 O ATOM 716 CB VAL A 50 -3.641 3.492 -8.678 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.427 3.049 -9.903 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.310 4.682 -8.007 1.00 0.00 C ATOM 0 H VAL A 50 -2.754 3.776 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.478 1.955 -7.417 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.648 3.800 -9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.524 3.886 -10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.903 2.230 -10.395 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.418 2.714 -9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.409 5.496 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.298 4.390 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.703 5.013 -7.164 1.00 0.00 H new ATOM 728 N TRP A 51 -1.368 1.333 -8.308 1.00 0.00 N ATOM 729 CA TRP A 51 -0.491 0.332 -8.904 1.00 0.00 C ATOM 730 C TRP A 51 -0.439 -0.927 -8.046 1.00 0.00 C ATOM 731 O TRP A 51 -0.790 -2.015 -8.504 1.00 0.00 O ATOM 732 CB TRP A 51 0.918 0.901 -9.082 1.00 0.00 C ATOM 733 CG TRP A 51 1.803 0.040 -9.932 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.066 0.196 -11.263 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.540 -1.112 -9.508 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.922 -0.789 -11.692 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.229 -1.604 -10.634 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.688 -1.774 -8.286 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.049 -2.727 -10.573 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.502 -2.889 -8.228 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.175 -3.356 -9.365 1.00 0.00 C ATOM 0 H TRP A 51 -0.880 2.116 -7.873 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.895 0.066 -9.881 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.848 1.892 -9.530 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.378 1.026 -8.102 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.661 0.979 -11.887 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.272 -0.896 -12.644 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.176 -1.421 -7.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.567 -3.089 -11.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.622 -3.410 -7.290 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.805 -4.229 -9.286 1.00 0.00 H new ATOM 752 N ILE A 52 -0.002 -0.772 -6.801 1.00 0.00 N ATOM 753 CA ILE A 52 0.093 -1.897 -5.880 1.00 0.00 C ATOM 754 C ILE A 52 -1.264 -2.565 -5.686 1.00 0.00 C ATOM 755 O ILE A 52 -1.347 -3.712 -5.247 1.00 0.00 O ATOM 756 CB ILE A 52 0.637 -1.457 -4.508 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.993 -0.766 -4.670 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.755 -2.654 -3.576 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.568 -0.251 -3.369 1.00 0.00 C ATOM 0 H ILE A 52 0.292 0.122 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 52 0.786 -2.611 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.062 -0.746 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.698 -1.467 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.887 0.066 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.141 -2.327 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.227 -3.107 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.436 -3.387 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.529 0.226 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.883 0.475 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.707 -1.083 -2.678 1.00 0.00 H new ATOM 771 N LYS A 53 -2.326 -1.839 -6.017 1.00 0.00 N ATOM 772 CA LYS A 53 -3.681 -2.361 -5.883 1.00 0.00 C ATOM 773 C LYS A 53 -4.099 -3.120 -7.138 1.00 0.00 C ATOM 774 O LYS A 53 -5.054 -3.896 -7.118 1.00 0.00 O ATOM 775 CB LYS A 53 -4.665 -1.220 -5.613 1.00 0.00 C ATOM 776 CG LYS A 53 -4.683 -0.763 -4.164 1.00 0.00 C ATOM 777 CD LYS A 53 -5.358 0.591 -4.016 1.00 0.00 C ATOM 778 CE LYS A 53 -6.801 0.550 -4.496 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.680 -0.187 -3.547 1.00 0.00 N ATOM 0 H LYS A 53 -2.275 -0.887 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.695 -3.052 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.410 -0.373 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.667 -1.541 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.206 -1.500 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.662 -0.705 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.330 0.901 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.805 1.338 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.172 1.568 -4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.845 0.074 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.655 -0.193 -3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.341 -1.165 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.659 0.282 -2.619 1.00 0.00 H new ATOM 793 N LYS A 54 -3.377 -2.892 -8.230 1.00 0.00 N ATOM 794 CA LYS A 54 -3.670 -3.556 -9.494 1.00 0.00 C ATOM 795 C LYS A 54 -2.502 -4.434 -9.931 1.00 0.00 C ATOM 796 O LYS A 54 -2.619 -5.658 -9.984 1.00 0.00 O ATOM 797 CB LYS A 54 -3.976 -2.520 -10.579 1.00 0.00 C ATOM 798 CG LYS A 54 -5.304 -1.810 -10.383 1.00 0.00 C ATOM 799 CD LYS A 54 -5.745 -1.092 -11.648 1.00 0.00 C ATOM 800 CE LYS A 54 -5.179 0.318 -11.715 1.00 0.00 C ATOM 801 NZ LYS A 54 -5.723 1.080 -12.873 1.00 0.00 N ATOM 0 H LYS A 54 -2.584 -2.252 -8.265 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.544 -4.190 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.177 -1.779 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.977 -3.013 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.065 -2.534 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.217 -1.092 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.419 -1.658 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.834 -1.050 -11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.412 0.847 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.093 0.270 -11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.313 2.036 -12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.479 0.589 -13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.757 1.148 -12.789 1.00 0.00 H new ATOM 815 N ASN A 55 -1.375 -3.801 -10.242 1.00 0.00 N ATOM 816 CA ASN A 55 -0.185 -4.526 -10.674 1.00 0.00 C ATOM 817 C ASN A 55 0.171 -5.628 -9.680 1.00 0.00 C ATOM 818 O ASN A 55 0.039 -6.815 -9.980 1.00 0.00 O ATOM 819 CB ASN A 55 0.994 -3.564 -10.830 1.00 0.00 C ATOM 820 CG ASN A 55 1.016 -2.892 -12.189 1.00 0.00 C ATOM 821 OD1 ASN A 55 0.373 -1.735 -12.287 1.00 0.00 O flip ATOM 822 ND2 ASN A 55 1.605 -3.408 -13.140 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.261 -2.788 -10.203 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.400 -4.987 -11.638 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.943 -2.802 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.926 -4.109 -10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.086 -4.299 -13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.611 -2.944 -14.048 1.00 0.00 H new ATOM 829 N LEU A 56 0.621 -5.226 -8.497 1.00 0.00 N ATOM 830 CA LEU A 56 0.996 -6.179 -7.458 1.00 0.00 C ATOM 831 C LEU A 56 -0.219 -6.967 -6.978 1.00 0.00 C ATOM 832 O LEU A 56 -0.340 -8.164 -7.241 1.00 0.00 O ATOM 833 CB LEU A 56 1.643 -5.450 -6.279 1.00 0.00 C ATOM 834 CG LEU A 56 2.683 -6.245 -5.487 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.016 -6.258 -6.219 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.845 -5.665 -4.090 1.00 0.00 C ATOM 0 H LEU A 56 0.735 -4.247 -8.233 1.00 0.00 H new ATOM 0 HA LEU A 56 1.715 -6.879 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.117 -4.543 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.855 -5.138 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 56 2.334 -7.273 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.743 -6.828 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.889 -6.720 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.373 -5.236 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.588 -6.242 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.172 -4.628 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.891 -5.709 -3.565 1.00 0.00 H new ATOM 848 N LEU A 57 -1.117 -6.287 -6.273 1.00 0.00 N ATOM 849 CA LEU A 57 -2.325 -6.923 -5.758 1.00 0.00 C ATOM 850 C LEU A 57 -2.998 -7.767 -6.835 1.00 0.00 C ATOM 851 O LEU A 57 -3.467 -7.244 -7.847 1.00 0.00 O ATOM 852 CB LEU A 57 -3.300 -5.864 -5.240 1.00 0.00 C ATOM 853 CG LEU A 57 -4.556 -6.392 -4.544 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.196 -7.047 -3.219 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.559 -5.268 -4.330 1.00 0.00 C ATOM 0 H LEU A 57 -1.032 -5.296 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.039 -7.579 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.767 -5.218 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.609 -5.241 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.015 -7.144 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.102 -7.417 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.515 -7.879 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.714 -6.315 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.446 -5.662 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.110 -4.493 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.841 -4.843 -5.294 1.00 0.00 H new ATOM 867 N LYS A 58 -3.046 -9.076 -6.611 1.00 0.00 N ATOM 868 CA LYS A 58 -3.665 -9.993 -7.560 1.00 0.00 C ATOM 869 C LYS A 58 -5.084 -10.347 -7.128 1.00 0.00 C ATOM 870 O LYS A 58 -5.909 -10.750 -7.947 1.00 0.00 O ATOM 871 CB LYS A 58 -2.827 -11.268 -7.688 1.00 0.00 C ATOM 872 CG LYS A 58 -3.599 -12.448 -8.255 1.00 0.00 C ATOM 873 CD LYS A 58 -4.062 -12.180 -9.677 1.00 0.00 C ATOM 874 CE LYS A 58 -2.951 -12.441 -10.683 1.00 0.00 C ATOM 875 NZ LYS A 58 -2.027 -11.279 -10.802 1.00 0.00 N ATOM 0 H LYS A 58 -2.663 -9.526 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.712 -9.497 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.968 -11.066 -8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.437 -11.537 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.970 -13.338 -8.238 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.463 -12.656 -7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.919 -12.813 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.397 -11.146 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.387 -13.324 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.387 -12.659 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.781 -11.132 -11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.492 -10.426 -10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.162 -11.466 -10.256 1.00 0.00 H new ATOM 889 N GLU A 59 -5.362 -10.191 -5.837 1.00 0.00 N ATOM 890 CA GLU A 59 -6.682 -10.494 -5.298 1.00 0.00 C ATOM 891 C GLU A 59 -7.525 -9.227 -5.179 1.00 0.00 C ATOM 892 O GLU A 59 -7.067 -8.132 -5.507 1.00 0.00 O ATOM 893 CB GLU A 59 -6.557 -11.167 -3.929 1.00 0.00 C ATOM 894 CG GLU A 59 -6.429 -12.679 -4.004 1.00 0.00 C ATOM 895 CD GLU A 59 -7.499 -13.313 -4.871 1.00 0.00 C ATOM 896 OE1 GLU A 59 -8.652 -12.833 -4.836 1.00 0.00 O ATOM 897 OE2 GLU A 59 -7.185 -14.289 -5.584 1.00 0.00 O ATOM 0 H GLU A 59 -4.691 -9.857 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.179 -11.177 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.687 -10.762 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.430 -10.914 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.446 -12.937 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.488 -13.095 -2.998 1.00 0.00 H new ATOM 904 N ARG A 60 -8.757 -9.385 -4.708 1.00 0.00 N ATOM 905 CA ARG A 60 -9.664 -8.255 -4.548 1.00 0.00 C ATOM 906 C ARG A 60 -9.068 -7.208 -3.611 1.00 0.00 C ATOM 907 O ARG A 60 -8.533 -7.523 -2.548 1.00 0.00 O ATOM 908 CB ARG A 60 -11.014 -8.730 -4.005 1.00 0.00 C ATOM 909 CG ARG A 60 -11.872 -9.436 -5.042 1.00 0.00 C ATOM 910 CD ARG A 60 -12.637 -8.441 -5.902 1.00 0.00 C ATOM 911 NE ARG A 60 -13.206 -9.070 -7.091 1.00 0.00 N ATOM 912 CZ ARG A 60 -14.248 -8.581 -7.754 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.832 -7.463 -7.346 1.00 0.00 N ATOM 914 NH2 ARG A 60 -14.708 -9.211 -8.828 1.00 0.00 N ATOM 0 H ARG A 60 -9.150 -10.284 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.813 -7.800 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.842 -9.406 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.562 -7.872 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.240 -10.057 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.575 -10.102 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.436 -7.991 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.970 -7.634 -6.203 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.780 -9.932 -7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.481 -6.976 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.632 -7.090 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.261 -10.071 -9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.508 -8.835 -9.336 1.00 0.00 H new ATOM 928 N PRO A 61 -9.161 -5.932 -4.014 1.00 0.00 N ATOM 929 CA PRO A 61 -8.637 -4.813 -3.226 1.00 0.00 C ATOM 930 C PRO A 61 -9.442 -4.572 -1.953 1.00 0.00 C ATOM 931 O PRO A 61 -8.877 -4.404 -0.873 1.00 0.00 O ATOM 932 CB PRO A 61 -8.768 -3.619 -4.175 1.00 0.00 C ATOM 933 CG PRO A 61 -9.872 -3.991 -5.103 1.00 0.00 C ATOM 934 CD PRO A 61 -9.786 -5.483 -5.270 1.00 0.00 C ATOM 0 HA PRO A 61 -7.617 -4.996 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.000 -2.704 -3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.839 -3.440 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.840 -3.699 -4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.764 -3.484 -6.062 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.771 -5.929 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.185 -5.756 -6.138 1.00 0.00 H new ATOM 942 N GLU A 62 -10.764 -4.558 -2.089 1.00 0.00 N ATOM 943 CA GLU A 62 -11.646 -4.338 -0.948 1.00 0.00 C ATOM 944 C GLU A 62 -11.169 -5.126 0.268 1.00 0.00 C ATOM 945 O GLU A 62 -11.453 -4.760 1.410 1.00 0.00 O ATOM 946 CB GLU A 62 -13.080 -4.740 -1.299 1.00 0.00 C ATOM 947 CG GLU A 62 -13.216 -6.187 -1.743 1.00 0.00 C ATOM 948 CD GLU A 62 -14.502 -6.445 -2.504 1.00 0.00 C ATOM 949 OE1 GLU A 62 -14.694 -5.826 -3.571 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.316 -7.267 -2.032 1.00 0.00 O ATOM 0 H GLU A 62 -11.248 -4.696 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.623 -3.276 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.718 -4.574 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.447 -4.089 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.366 -6.451 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.179 -6.837 -0.868 1.00 0.00 H new ATOM 957 N LEU A 63 -10.443 -6.210 0.017 1.00 0.00 N ATOM 958 CA LEU A 63 -9.926 -7.051 1.091 1.00 0.00 C ATOM 959 C LEU A 63 -8.668 -6.442 1.701 1.00 0.00 C ATOM 960 O LEU A 63 -8.562 -6.301 2.919 1.00 0.00 O ATOM 961 CB LEU A 63 -9.624 -8.455 0.565 1.00 0.00 C ATOM 962 CG LEU A 63 -10.818 -9.405 0.464 1.00 0.00 C ATOM 963 CD1 LEU A 63 -11.707 -9.277 1.691 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.613 -9.131 -0.804 1.00 0.00 C ATOM 0 H LEU A 63 -10.199 -6.527 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.688 -7.117 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.175 -8.362 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.876 -8.911 1.214 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.441 -10.427 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.551 -9.960 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.133 -9.525 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.075 -8.254 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.459 -9.817 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.979 -8.104 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.972 -9.276 -1.674 1.00 0.00 H new ATOM 976 N PHE A 64 -7.717 -6.082 0.846 1.00 0.00 N ATOM 977 CA PHE A 64 -6.465 -5.487 1.301 1.00 0.00 C ATOM 978 C PHE A 64 -6.638 -3.994 1.567 1.00 0.00 C ATOM 979 O PHE A 64 -6.536 -3.541 2.707 1.00 0.00 O ATOM 980 CB PHE A 64 -5.364 -5.707 0.261 1.00 0.00 C ATOM 981 CG PHE A 64 -4.000 -5.295 0.737 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.474 -5.815 1.909 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.244 -4.388 0.012 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.220 -5.436 2.349 1.00 0.00 C ATOM 985 CE2 PHE A 64 -1.989 -4.006 0.447 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.476 -4.532 1.616 1.00 0.00 C ATOM 0 H PHE A 64 -7.789 -6.192 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.177 -5.974 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.341 -6.761 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.610 -5.147 -0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.050 -6.524 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.640 -3.975 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.822 -5.846 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.410 -3.297 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.495 -4.237 1.957 1.00 0.00 H new ATOM 996 N ILE A 65 -6.898 -3.237 0.506 1.00 0.00 N ATOM 997 CA ILE A 65 -7.085 -1.796 0.625 1.00 0.00 C ATOM 998 C ILE A 65 -8.395 -1.357 -0.020 1.00 0.00 C ATOM 999 O ILE A 65 -8.888 -2.001 -0.945 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.922 -1.022 -0.024 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.609 -1.334 0.697 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.203 0.473 -0.001 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.385 -0.814 -0.025 1.00 0.00 C ATOM 0 H ILE A 65 -6.984 -3.597 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.113 -1.568 1.691 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.829 -1.338 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.642 -0.902 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.518 -2.413 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.372 1.007 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.119 0.680 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.319 0.806 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.491 -1.071 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.328 -1.265 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.453 0.269 -0.123 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.952 -0.256 0.475 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.205 0.270 -0.054 1.00 0.00 C ATOM 1017 C GLN A 66 -10.043 1.720 -0.497 1.00 0.00 C ATOM 1018 O GLN A 66 -9.980 2.629 0.330 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.311 0.166 0.998 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.713 0.204 0.412 1.00 0.00 C ATOM 1021 CD GLN A 66 -12.831 -0.592 -0.872 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.210 -1.764 -0.857 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -12.507 0.041 -1.994 1.00 0.00 N ATOM 0 H GLN A 66 -8.556 0.289 1.241 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.482 -0.327 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.184 -0.762 1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.202 0.984 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.419 -0.188 1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.994 1.239 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.198 1.012 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.567 -0.444 -2.889 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.975 1.929 -1.808 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.820 3.272 -2.338 1.00 0.00 C ATOM 1034 C GLY A 67 -8.371 3.627 -2.602 1.00 0.00 C ATOM 1035 O GLY A 67 -7.495 2.763 -2.557 1.00 0.00 O ATOM 0 H GLY A 67 -10.024 1.193 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.387 3.361 -3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.244 3.988 -1.634 1.00 0.00 H new ATOM 1039 N ASP A 68 -8.117 4.901 -2.880 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.763 5.369 -3.153 1.00 0.00 C ATOM 1041 C ASP A 68 -5.913 5.343 -1.887 1.00 0.00 C ATOM 1042 O ASP A 68 -4.690 5.472 -1.945 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.796 6.784 -3.731 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.419 6.831 -5.113 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -8.220 5.928 -5.433 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -7.105 7.770 -5.874 1.00 0.00 O ATOM 0 H ASP A 68 -8.831 5.628 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.314 4.697 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.358 7.434 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.781 7.177 -3.780 1.00 0.00 H new ATOM 1051 N SER A 69 -6.570 5.177 -0.743 1.00 0.00 N ATOM 1052 CA SER A 69 -5.875 5.140 0.539 1.00 0.00 C ATOM 1053 C SER A 69 -5.922 3.739 1.141 1.00 0.00 C ATOM 1054 O SER A 69 -6.806 2.943 0.824 1.00 0.00 O ATOM 1055 CB SER A 69 -6.497 6.146 1.509 1.00 0.00 C ATOM 1056 OG SER A 69 -6.127 5.859 2.847 1.00 0.00 O ATOM 0 H SER A 69 -7.582 5.066 -0.678 1.00 0.00 H new ATOM 0 HA SER A 69 -4.832 5.408 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.176 7.154 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.583 6.123 1.415 1.00 0.00 H new ATOM 0 HG SER A 69 -6.536 6.517 3.448 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.963 3.444 2.013 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.894 2.141 2.662 1.00 0.00 C ATOM 1064 C VAL A 70 -5.962 2.007 3.742 1.00 0.00 C ATOM 1065 O VAL A 70 -6.211 2.942 4.503 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.509 1.900 3.293 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.445 1.777 2.214 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.167 3.018 4.267 1.00 0.00 C ATOM 0 H VAL A 70 -4.223 4.091 2.286 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.068 1.393 1.888 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.539 0.962 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.474 1.607 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.686 0.939 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.412 2.696 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.186 2.832 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.154 3.971 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.916 3.053 5.058 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.591 0.837 3.802 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.634 0.581 4.789 1.00 0.00 C ATOM 1080 C ARG A 71 -7.218 1.092 6.165 1.00 0.00 C ATOM 1081 O ARG A 71 -6.043 1.345 6.431 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.941 -0.916 4.860 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.056 -1.354 3.925 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.629 -2.702 4.335 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.676 -2.567 5.343 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.077 -3.565 6.125 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -10.520 -4.763 6.014 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -12.036 -3.364 7.019 1.00 0.00 N ATOM 0 H ARG A 71 -6.397 0.053 3.180 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.532 1.115 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.037 -1.475 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.214 -1.174 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.848 -0.605 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.675 -1.414 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.034 -3.206 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.830 -3.332 4.725 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.125 -1.658 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.782 -4.921 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.829 -5.527 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.466 -2.443 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.343 -4.130 7.618 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.204 1.248 7.061 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.965 1.730 8.425 1.00 0.00 C ATOM 1104 C PRO A 72 -7.218 0.710 9.277 1.00 0.00 C ATOM 1105 O PRO A 72 -6.991 0.928 10.467 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.376 1.956 8.973 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.241 1.036 8.183 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.627 0.966 6.812 1.00 0.00 C ATOM 0 HA PRO A 72 -7.340 2.623 8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.428 1.731 10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.687 2.994 8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.283 0.049 8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.264 1.408 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.769 -0.015 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.069 1.698 6.136 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.838 -0.405 8.661 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.120 -1.441 9.380 1.00 0.00 C ATOM 1118 C GLY A 73 -4.732 -1.681 8.819 1.00 0.00 C ATOM 1119 O GLY A 73 -3.813 -2.042 9.554 1.00 0.00 O ATOM 0 H GLY A 73 -7.014 -0.609 7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.041 -1.161 10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.690 -2.369 9.339 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.580 -1.481 7.515 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.294 -1.678 6.857 1.00 0.00 C ATOM 1125 C ILE A 74 -2.320 -0.558 7.207 1.00 0.00 C ATOM 1126 O ILE A 74 -2.468 0.575 6.747 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.450 -1.747 5.326 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.569 -2.720 4.949 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.138 -2.165 4.679 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.219 -4.170 5.197 1.00 0.00 C ATOM 0 H ILE A 74 -5.331 -1.183 6.893 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.897 -2.627 7.217 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.716 -0.756 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.464 -2.469 5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.813 -2.589 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.264 -2.209 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.363 -1.439 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.846 -3.147 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.059 -4.802 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.342 -4.439 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.004 -4.316 6.255 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.324 -0.883 8.023 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.322 0.095 8.435 1.00 0.00 C ATOM 1144 C LEU A 75 0.894 0.049 7.516 1.00 0.00 C ATOM 1145 O LEU A 75 1.546 -0.987 7.383 1.00 0.00 O ATOM 1146 CB LEU A 75 0.107 -0.162 9.881 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.876 0.287 10.962 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.608 -0.449 12.266 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.790 1.792 11.170 1.00 0.00 C ATOM 0 H LEU A 75 -1.188 -1.816 8.413 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.769 1.087 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.286 -1.231 10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.059 0.341 10.052 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.886 0.043 10.631 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.317 -0.116 13.024 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.722 -1.522 12.108 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.407 -0.237 12.601 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.497 2.093 11.943 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.221 2.060 11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.032 2.303 10.238 1.00 0.00 H new ATOM 1161 N VAL A 76 1.196 1.179 6.885 1.00 0.00 N ATOM 1162 CA VAL A 76 2.336 1.269 5.980 1.00 0.00 C ATOM 1163 C VAL A 76 3.530 1.925 6.665 1.00 0.00 C ATOM 1164 O VAL A 76 3.370 2.693 7.615 1.00 0.00 O ATOM 1165 CB VAL A 76 1.984 2.067 4.711 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.725 1.512 4.063 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.818 3.543 5.039 1.00 0.00 C ATOM 0 H VAL A 76 0.667 2.045 6.984 1.00 0.00 H new ATOM 0 HA VAL A 76 2.597 0.249 5.697 1.00 0.00 H new ATOM 0 HB VAL A 76 2.804 1.966 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.492 2.089 3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.885 0.469 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.106 1.580 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.569 4.092 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.017 3.666 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.749 3.930 5.454 1.00 0.00 H new ATOM 1177 N LEU A 77 4.726 1.617 6.177 1.00 0.00 N ATOM 1178 CA LEU A 77 5.950 2.177 6.741 1.00 0.00 C ATOM 1179 C LEU A 77 6.981 2.444 5.649 1.00 0.00 C ATOM 1180 O LEU A 77 7.449 1.519 4.985 1.00 0.00 O ATOM 1181 CB LEU A 77 6.533 1.227 7.788 1.00 0.00 C ATOM 1182 CG LEU A 77 6.017 1.403 9.217 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.068 0.083 9.970 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.822 2.468 9.947 1.00 0.00 C ATOM 0 H LEU A 77 4.875 0.983 5.392 1.00 0.00 H new ATOM 0 HA LEU A 77 5.701 3.125 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.330 0.203 7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.616 1.349 7.797 1.00 0.00 H new ATOM 0 HG LEU A 77 4.978 1.730 9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.697 0.228 10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.447 -0.652 9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.097 -0.275 10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.441 2.580 10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.870 2.171 9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.732 3.417 9.419 1.00 0.00 H new ATOM 1196 N ILE A 78 7.331 3.713 5.471 1.00 0.00 N ATOM 1197 CA ILE A 78 8.309 4.101 4.462 1.00 0.00 C ATOM 1198 C ILE A 78 9.708 4.197 5.061 1.00 0.00 C ATOM 1199 O ILE A 78 9.964 5.020 5.939 1.00 0.00 O ATOM 1200 CB ILE A 78 7.947 5.451 3.816 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.653 5.323 3.008 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.084 5.936 2.930 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.861 6.609 2.928 1.00 0.00 C ATOM 0 H ILE A 78 6.952 4.490 6.012 1.00 0.00 H new ATOM 0 HA ILE A 78 8.296 3.326 3.696 1.00 0.00 H new ATOM 0 HB ILE A 78 7.790 6.185 4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.896 4.992 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.030 4.549 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.813 6.891 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.985 6.060 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.270 5.205 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.958 6.444 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.587 6.931 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.467 7.380 2.453 1.00 0.00 H new ATOM 1215 N ASN A 79 10.612 3.350 4.579 1.00 0.00 N ATOM 1216 CA ASN A 79 11.987 3.340 5.065 1.00 0.00 C ATOM 1217 C ASN A 79 12.024 3.250 6.588 1.00 0.00 C ATOM 1218 O ASN A 79 12.783 3.963 7.244 1.00 0.00 O ATOM 1219 CB ASN A 79 12.724 4.597 4.599 1.00 0.00 C ATOM 1220 CG ASN A 79 13.295 4.448 3.203 1.00 0.00 C ATOM 1221 OD1 ASN A 79 14.512 4.436 3.016 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.417 4.333 2.213 1.00 0.00 N ATOM 0 H ASN A 79 10.417 2.662 3.852 1.00 0.00 H new ATOM 0 HA ASN A 79 12.485 2.462 4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.039 5.445 4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.531 4.821 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.743 4.230 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.417 4.348 2.414 1.00 0.00 H new ATOM 1229 N ASP A 80 11.200 2.368 7.143 1.00 0.00 N ATOM 1230 CA ASP A 80 11.139 2.183 8.589 1.00 0.00 C ATOM 1231 C ASP A 80 10.685 3.464 9.282 1.00 0.00 C ATOM 1232 O ASP A 80 11.298 3.907 10.252 1.00 0.00 O ATOM 1233 CB ASP A 80 12.505 1.754 9.127 1.00 0.00 C ATOM 1234 CG ASP A 80 12.871 0.342 8.715 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.043 -0.570 8.920 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.987 0.148 8.188 1.00 0.00 O ATOM 0 H ASP A 80 10.565 1.770 6.614 1.00 0.00 H new ATOM 0 HA ASP A 80 10.411 1.400 8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.268 2.444 8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.502 1.823 10.215 1.00 0.00 H new ATOM 1241 N ALA A 81 9.607 4.054 8.776 1.00 0.00 N ATOM 1242 CA ALA A 81 9.070 5.283 9.347 1.00 0.00 C ATOM 1243 C ALA A 81 7.612 5.483 8.948 1.00 0.00 C ATOM 1244 O ALA A 81 7.294 5.607 7.765 1.00 0.00 O ATOM 1245 CB ALA A 81 9.907 6.477 8.912 1.00 0.00 C ATOM 0 H ALA A 81 9.088 3.701 7.972 1.00 0.00 H new ATOM 0 HA ALA A 81 9.114 5.199 10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.494 7.388 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.934 6.345 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.893 6.554 7.825 1.00 0.00 H new ATOM 1251 N ASP A 82 6.730 5.513 9.941 1.00 0.00 N ATOM 1252 CA ASP A 82 5.305 5.698 9.693 1.00 0.00 C ATOM 1253 C ASP A 82 5.074 6.764 8.626 1.00 0.00 C ATOM 1254 O ASP A 82 5.495 7.910 8.778 1.00 0.00 O ATOM 1255 CB ASP A 82 4.587 6.089 10.985 1.00 0.00 C ATOM 1256 CG ASP A 82 4.766 5.057 12.081 1.00 0.00 C ATOM 1257 OD1 ASP A 82 4.521 3.862 11.816 1.00 0.00 O ATOM 1258 OD2 ASP A 82 5.150 5.444 13.205 1.00 0.00 O ATOM 0 H ASP A 82 6.977 5.412 10.925 1.00 0.00 H new ATOM 0 HA ASP A 82 4.898 4.753 9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.965 7.051 11.331 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.524 6.218 10.782 1.00 0.00 H new ATOM 1263 N TRP A 83 4.403 6.377 7.547 1.00 0.00 N ATOM 1264 CA TRP A 83 4.116 7.299 6.454 1.00 0.00 C ATOM 1265 C TRP A 83 3.323 8.503 6.951 1.00 0.00 C ATOM 1266 O TRP A 83 3.203 9.508 6.252 1.00 0.00 O ATOM 1267 CB TRP A 83 3.340 6.584 5.346 1.00 0.00 C ATOM 1268 CG TRP A 83 1.932 6.246 5.731 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.480 5.909 6.974 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.792 6.212 4.865 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.128 5.666 6.934 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.318 5.846 5.651 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.600 6.456 3.502 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.598 5.719 5.118 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.670 6.329 2.975 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.756 5.964 3.781 1.00 0.00 C ATOM 0 H TRP A 83 4.048 5.431 7.406 1.00 0.00 H new ATOM 0 HA TRP A 83 5.065 7.653 6.053 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.325 7.215 4.457 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.866 5.668 5.077 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.095 5.843 7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.450 5.396 7.730 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.430 6.739 2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.436 5.437 5.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.829 6.514 1.923 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.737 5.874 3.339 1.00 0.00 H new ATOM 1287 N GLU A 84 2.786 8.393 8.161 1.00 0.00 N ATOM 1288 CA GLU A 84 2.004 9.474 8.750 1.00 0.00 C ATOM 1289 C GLU A 84 2.879 10.697 9.014 1.00 0.00 C ATOM 1290 O GLU A 84 2.512 11.822 8.672 1.00 0.00 O ATOM 1291 CB GLU A 84 1.351 9.010 10.054 1.00 0.00 C ATOM 1292 CG GLU A 84 0.521 7.746 9.902 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.172 7.346 11.190 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -1.190 7.979 11.538 1.00 0.00 O ATOM 1295 OE2 GLU A 84 0.304 6.398 11.850 1.00 0.00 O ATOM 0 H GLU A 84 2.878 7.567 8.753 1.00 0.00 H new ATOM 0 HA GLU A 84 1.224 9.752 8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.128 8.837 10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.715 9.808 10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.227 7.898 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.164 6.931 9.571 1.00 0.00 H new ATOM 1302 N LEU A 85 4.036 10.468 9.625 1.00 0.00 N ATOM 1303 CA LEU A 85 4.964 11.550 9.936 1.00 0.00 C ATOM 1304 C LEU A 85 5.574 12.127 8.662 1.00 0.00 C ATOM 1305 O LEU A 85 5.850 13.325 8.581 1.00 0.00 O ATOM 1306 CB LEU A 85 6.071 11.047 10.863 1.00 0.00 C ATOM 1307 CG LEU A 85 5.659 10.762 12.308 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.585 11.739 12.760 1.00 0.00 C ATOM 1309 CD2 LEU A 85 5.171 9.327 12.449 1.00 0.00 C ATOM 0 H LEU A 85 4.354 9.543 9.915 1.00 0.00 H new ATOM 0 HA LEU A 85 4.407 12.340 10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.486 10.133 10.438 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.872 11.786 10.874 1.00 0.00 H new ATOM 0 HG LEU A 85 6.532 10.893 12.948 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.305 11.520 13.790 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.969 12.757 12.697 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.710 11.641 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.882 9.141 13.483 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.311 9.169 11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.970 8.642 12.167 1.00 0.00 H new ATOM 1321 N LEU A 86 5.779 11.269 7.670 1.00 0.00 N ATOM 1322 CA LEU A 86 6.355 11.693 6.398 1.00 0.00 C ATOM 1323 C LEU A 86 5.293 12.327 5.505 1.00 0.00 C ATOM 1324 O LEU A 86 5.346 13.521 5.212 1.00 0.00 O ATOM 1325 CB LEU A 86 6.995 10.502 5.683 1.00 0.00 C ATOM 1326 CG LEU A 86 7.795 9.541 6.563 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.025 8.223 5.841 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.121 10.168 6.968 1.00 0.00 C ATOM 0 H LEU A 86 5.555 10.275 7.721 1.00 0.00 H new ATOM 0 HA LEU A 86 7.122 12.439 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.207 9.937 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.655 10.884 4.904 1.00 0.00 H new ATOM 0 HG LEU A 86 7.219 9.341 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.596 7.552 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.064 7.767 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.580 8.404 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.677 9.470 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.703 10.398 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.934 11.086 7.525 1.00 0.00 H new ATOM 1340 N GLY A 87 4.328 11.519 5.076 1.00 0.00 N ATOM 1341 CA GLY A 87 3.267 12.019 4.222 1.00 0.00 C ATOM 1342 C GLY A 87 2.366 10.913 3.708 1.00 0.00 C ATOM 1343 O GLY A 87 2.614 10.348 2.644 1.00 0.00 O ATOM 0 H GLY A 87 4.262 10.527 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.669 12.742 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.705 12.549 3.376 1.00 0.00 H new ATOM 1347 N GLU A 88 1.320 10.602 4.467 1.00 0.00 N ATOM 1348 CA GLU A 88 0.382 9.554 4.082 1.00 0.00 C ATOM 1349 C GLU A 88 0.211 9.507 2.567 1.00 0.00 C ATOM 1350 O GLU A 88 0.439 8.474 1.936 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.974 9.781 4.754 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.928 9.680 6.269 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.307 9.575 6.889 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -2.823 8.443 7.000 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.872 10.624 7.263 1.00 0.00 O ATOM 0 H GLU A 88 1.101 11.060 5.351 1.00 0.00 H new ATOM 0 HA GLU A 88 0.788 8.598 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.347 10.766 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.686 9.050 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.339 8.808 6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.418 10.555 6.672 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.195 10.633 1.989 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.398 10.721 0.547 1.00 0.00 C ATOM 1364 C LEU A 89 0.361 11.908 -0.038 1.00 0.00 C ATOM 1365 O LEU A 89 0.404 12.091 -1.255 1.00 0.00 O ATOM 1366 CB LEU A 89 -1.889 10.849 0.229 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.787 9.732 0.764 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.252 10.115 0.629 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.505 8.426 0.035 1.00 0.00 C ATOM 0 H LEU A 89 -0.390 11.496 2.496 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.013 9.807 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.245 11.798 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.007 10.896 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.566 9.589 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.876 9.309 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.444 11.025 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.488 10.286 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.153 7.643 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.697 8.555 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.463 8.144 0.184 1.00 0.00 H new ATOM 1381 N ASP A 90 0.960 12.710 0.836 1.00 0.00 N ATOM 1382 CA ASP A 90 1.720 13.877 0.406 1.00 0.00 C ATOM 1383 C ASP A 90 3.136 13.483 -0.002 1.00 0.00 C ATOM 1384 O ASP A 90 3.785 14.180 -0.782 1.00 0.00 O ATOM 1385 CB ASP A 90 1.770 14.920 1.524 1.00 0.00 C ATOM 1386 CG ASP A 90 2.020 16.320 0.999 1.00 0.00 C ATOM 1387 OD1 ASP A 90 3.195 16.657 0.741 1.00 0.00 O ATOM 1388 OD2 ASP A 90 1.040 17.079 0.845 1.00 0.00 O ATOM 0 H ASP A 90 0.934 12.573 1.846 1.00 0.00 H new ATOM 0 HA ASP A 90 1.218 14.308 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.829 14.904 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.557 14.654 2.230 1.00 0.00 H new ATOM 1393 N TYR A 91 3.610 12.362 0.531 1.00 0.00 N ATOM 1394 CA TYR A 91 4.950 11.877 0.225 1.00 0.00 C ATOM 1395 C TYR A 91 5.085 11.548 -1.259 1.00 0.00 C ATOM 1396 O TYR A 91 4.121 11.139 -1.904 1.00 0.00 O ATOM 1397 CB TYR A 91 5.271 10.639 1.064 1.00 0.00 C ATOM 1398 CG TYR A 91 6.743 10.296 1.100 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.334 9.574 0.070 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.544 10.694 2.163 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.678 9.258 0.099 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.889 10.384 2.200 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.452 9.666 1.165 1.00 0.00 C ATOM 1404 OH TYR A 91 10.792 9.354 1.198 1.00 0.00 O ATOM 0 H TYR A 91 3.086 11.772 1.177 1.00 0.00 H new ATOM 0 HA TYR A 91 5.659 12.668 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.919 10.800 2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.718 9.788 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.732 9.255 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.107 11.256 2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.121 8.694 -0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.497 10.702 3.034 1.00 0.00 H new ATOM 0 HH TYR A 91 11.192 9.716 2.016 1.00 0.00 H new ATOM 1414 N GLN A 92 6.289 11.732 -1.791 1.00 0.00 N ATOM 1415 CA GLN A 92 6.551 11.455 -3.199 1.00 0.00 C ATOM 1416 C GLN A 92 7.735 10.506 -3.356 1.00 0.00 C ATOM 1417 O GLN A 92 8.891 10.931 -3.338 1.00 0.00 O ATOM 1418 CB GLN A 92 6.822 12.757 -3.954 1.00 0.00 C ATOM 1419 CG GLN A 92 5.620 13.685 -4.018 1.00 0.00 C ATOM 1420 CD GLN A 92 4.747 13.427 -5.230 1.00 0.00 C ATOM 1421 OE1 GLN A 92 4.898 12.414 -5.914 1.00 0.00 O ATOM 1422 NE2 GLN A 92 3.826 14.343 -5.502 1.00 0.00 N ATOM 0 H GLN A 92 7.097 12.071 -1.270 1.00 0.00 H new ATOM 0 HA GLN A 92 5.667 10.976 -3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.649 13.280 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.141 12.519 -4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.024 13.564 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.965 14.719 -4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.736 15.167 -4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.208 14.223 -6.305 1.00 0.00 H new ATOM 1431 N LEU A 93 7.440 9.220 -3.509 1.00 0.00 N ATOM 1432 CA LEU A 93 8.480 8.210 -3.669 1.00 0.00 C ATOM 1433 C LEU A 93 9.403 8.558 -4.833 1.00 0.00 C ATOM 1434 O LEU A 93 8.941 8.871 -5.930 1.00 0.00 O ATOM 1435 CB LEU A 93 7.852 6.834 -3.895 1.00 0.00 C ATOM 1436 CG LEU A 93 7.048 6.263 -2.726 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.681 4.811 -2.990 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.831 6.390 -1.428 1.00 0.00 C ATOM 0 H LEU A 93 6.489 8.852 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 93 9.072 8.186 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.198 6.894 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.647 6.130 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 93 6.127 6.837 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.109 4.421 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.080 4.747 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.590 4.223 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.244 5.979 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.769 5.841 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.042 7.441 -1.232 1.00 0.00 H new ATOM 1450 N GLN A 94 10.707 8.498 -4.586 1.00 0.00 N ATOM 1451 CA GLN A 94 11.694 8.806 -5.614 1.00 0.00 C ATOM 1452 C GLN A 94 12.266 7.528 -6.219 1.00 0.00 C ATOM 1453 O GLN A 94 11.989 7.197 -7.372 1.00 0.00 O ATOM 1454 CB GLN A 94 12.822 9.658 -5.030 1.00 0.00 C ATOM 1455 CG GLN A 94 12.346 10.972 -4.434 1.00 0.00 C ATOM 1456 CD GLN A 94 12.238 12.076 -5.467 1.00 0.00 C ATOM 1457 OE1 GLN A 94 11.847 11.837 -6.610 1.00 0.00 O ATOM 1458 NE2 GLN A 94 12.584 13.295 -5.070 1.00 0.00 N ATOM 0 H GLN A 94 11.105 8.239 -3.683 1.00 0.00 H new ATOM 0 HA GLN A 94 11.196 9.369 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.337 9.085 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.551 9.867 -5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.374 10.823 -3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.035 11.281 -3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.903 13.449 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.531 14.078 -5.722 1.00 0.00 H new ATOM 1467 N ASP A 95 13.066 6.814 -5.433 1.00 0.00 N ATOM 1468 CA ASP A 95 13.677 5.572 -5.891 1.00 0.00 C ATOM 1469 C ASP A 95 14.356 4.843 -4.736 1.00 0.00 C ATOM 1470 O ASP A 95 14.422 5.356 -3.619 1.00 0.00 O ATOM 1471 CB ASP A 95 14.692 5.856 -6.999 1.00 0.00 C ATOM 1472 CG ASP A 95 15.935 6.553 -6.480 1.00 0.00 C ATOM 1473 OD1 ASP A 95 15.848 7.757 -6.160 1.00 0.00 O ATOM 1474 OD2 ASP A 95 16.993 5.896 -6.396 1.00 0.00 O ATOM 0 H ASP A 95 13.306 7.074 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 95 12.889 4.932 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.977 4.918 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.225 6.475 -7.766 1.00 0.00 H new ATOM 1479 N GLN A 96 14.858 3.644 -5.013 1.00 0.00 N ATOM 1480 CA GLN A 96 15.531 2.844 -3.996 1.00 0.00 C ATOM 1481 C GLN A 96 14.813 2.954 -2.655 1.00 0.00 C ATOM 1482 O GLN A 96 15.420 2.777 -1.599 1.00 0.00 O ATOM 1483 CB GLN A 96 16.986 3.290 -3.847 1.00 0.00 C ATOM 1484 CG GLN A 96 17.891 2.798 -4.965 1.00 0.00 C ATOM 1485 CD GLN A 96 17.939 1.285 -5.054 1.00 0.00 C ATOM 1486 OE1 GLN A 96 18.625 0.628 -4.271 1.00 0.00 O ATOM 1487 NE2 GLN A 96 17.210 0.725 -6.012 1.00 0.00 N ATOM 0 H GLN A 96 14.812 3.205 -5.933 1.00 0.00 H new ATOM 0 HA GLN A 96 15.509 1.802 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.022 4.379 -3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.372 2.930 -2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.542 3.203 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.899 3.181 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.656 1.309 -6.639 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.204 -0.289 -6.121 1.00 0.00 H new ATOM 1496 N ASP A 97 13.518 3.246 -2.705 1.00 0.00 N ATOM 1497 CA ASP A 97 12.717 3.379 -1.494 1.00 0.00 C ATOM 1498 C ASP A 97 11.954 2.090 -1.203 1.00 0.00 C ATOM 1499 O ASP A 97 11.321 1.518 -2.090 1.00 0.00 O ATOM 1500 CB ASP A 97 11.738 4.546 -1.629 1.00 0.00 C ATOM 1501 CG ASP A 97 12.443 5.884 -1.734 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.514 6.040 -1.110 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.924 6.775 -2.438 1.00 0.00 O ATOM 0 H ASP A 97 13.001 3.395 -3.571 1.00 0.00 H new ATOM 0 HA ASP A 97 13.392 3.577 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.117 4.395 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.070 4.557 -0.768 1.00 0.00 H new ATOM 1508 N SER A 98 12.020 1.638 0.045 1.00 0.00 N ATOM 1509 CA SER A 98 11.340 0.414 0.452 1.00 0.00 C ATOM 1510 C SER A 98 10.040 0.732 1.184 1.00 0.00 C ATOM 1511 O SER A 98 10.041 1.433 2.197 1.00 0.00 O ATOM 1512 CB SER A 98 12.251 -0.428 1.348 1.00 0.00 C ATOM 1513 OG SER A 98 13.587 -0.410 0.877 1.00 0.00 O ATOM 0 H SER A 98 12.538 2.101 0.792 1.00 0.00 H new ATOM 0 HA SER A 98 11.101 -0.155 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.217 -0.046 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.887 -1.455 1.380 1.00 0.00 H new ATOM 0 HG SER A 98 14.149 -0.954 1.467 1.00 0.00 H new ATOM 1519 N ILE A 99 8.933 0.212 0.665 1.00 0.00 N ATOM 1520 CA ILE A 99 7.626 0.440 1.270 1.00 0.00 C ATOM 1521 C ILE A 99 7.112 -0.820 1.957 1.00 0.00 C ATOM 1522 O ILE A 99 7.072 -1.895 1.358 1.00 0.00 O ATOM 1523 CB ILE A 99 6.594 0.898 0.223 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.254 1.815 -0.810 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.431 1.607 0.901 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.804 3.094 -0.218 1.00 0.00 C ATOM 0 H ILE A 99 8.915 -0.370 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 99 7.754 1.229 2.011 1.00 0.00 H new ATOM 0 HB ILE A 99 6.208 0.019 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.063 1.274 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.525 2.065 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.710 1.925 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.948 0.926 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.801 2.479 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.257 3.695 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.995 3.657 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.557 2.853 0.532 1.00 0.00 H new ATOM 1538 N LEU A 100 6.716 -0.680 3.217 1.00 0.00 N ATOM 1539 CA LEU A 100 6.201 -1.807 3.987 1.00 0.00 C ATOM 1540 C LEU A 100 4.693 -1.689 4.183 1.00 0.00 C ATOM 1541 O LEU A 100 4.169 -0.598 4.409 1.00 0.00 O ATOM 1542 CB LEU A 100 6.899 -1.883 5.346 1.00 0.00 C ATOM 1543 CG LEU A 100 6.330 -2.900 6.337 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.684 -4.316 5.911 1.00 0.00 C ATOM 1545 CD2 LEU A 100 6.843 -2.620 7.742 1.00 0.00 C ATOM 0 H LEU A 100 6.742 0.203 3.727 1.00 0.00 H new ATOM 0 HA LEU A 100 6.406 -2.720 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.950 -2.117 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.861 -0.896 5.807 1.00 0.00 H new ATOM 0 HG LEU A 100 5.244 -2.805 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.271 -5.026 6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.267 -4.514 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.768 -4.425 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.428 -3.353 8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.931 -2.687 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.538 -1.619 8.048 1.00 0.00 H new ATOM 1557 N PHE A 101 4.000 -2.819 4.097 1.00 0.00 N ATOM 1558 CA PHE A 101 2.552 -2.843 4.267 1.00 0.00 C ATOM 1559 C PHE A 101 2.128 -3.998 5.169 1.00 0.00 C ATOM 1560 O PHE A 101 2.187 -5.163 4.774 1.00 0.00 O ATOM 1561 CB PHE A 101 1.860 -2.963 2.907 1.00 0.00 C ATOM 1562 CG PHE A 101 2.041 -1.755 2.033 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.179 -1.610 1.257 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.073 -0.765 1.988 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.349 -0.499 0.452 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.236 0.348 1.185 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.375 0.481 0.416 1.00 0.00 C ATOM 0 H PHE A 101 4.418 -3.731 3.911 1.00 0.00 H new ATOM 0 HA PHE A 101 2.252 -1.908 4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.248 -3.839 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.795 -3.131 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.942 -2.374 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.180 -0.864 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.241 -0.397 -0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.474 1.113 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.505 1.350 -0.213 1.00 0.00 H new ATOM 1577 N ILE A 102 1.703 -3.667 6.384 1.00 0.00 N ATOM 1578 CA ILE A 102 1.269 -4.675 7.343 1.00 0.00 C ATOM 1579 C ILE A 102 -0.239 -4.617 7.557 1.00 0.00 C ATOM 1580 O ILE A 102 -0.848 -3.551 7.475 1.00 0.00 O ATOM 1581 CB ILE A 102 1.977 -4.503 8.700 1.00 0.00 C ATOM 1582 CG1 ILE A 102 1.693 -5.704 9.604 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.530 -3.212 9.369 1.00 0.00 C ATOM 1584 CD1 ILE A 102 2.524 -5.719 10.867 1.00 0.00 C ATOM 0 H ILE A 102 1.650 -2.708 6.727 1.00 0.00 H new ATOM 0 HA ILE A 102 1.536 -5.645 6.924 1.00 0.00 H new ATOM 0 HB ILE A 102 3.052 -4.448 8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.637 -5.704 9.874 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.879 -6.621 9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.038 -3.104 10.327 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.778 -2.366 8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.453 -3.240 9.531 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.270 -6.598 11.459 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.582 -5.751 10.606 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.320 -4.819 11.447 1.00 0.00 H new ATOM 1596 N SER A 103 -0.837 -5.772 7.834 1.00 0.00 N ATOM 1597 CA SER A 103 -2.275 -5.853 8.059 1.00 0.00 C ATOM 1598 C SER A 103 -2.578 -6.282 9.492 1.00 0.00 C ATOM 1599 O SER A 103 -2.188 -7.368 9.923 1.00 0.00 O ATOM 1600 CB SER A 103 -2.912 -6.837 7.075 1.00 0.00 C ATOM 1601 OG SER A 103 -4.293 -6.569 6.908 1.00 0.00 O ATOM 0 H SER A 103 -0.348 -6.664 7.908 1.00 0.00 H new ATOM 0 HA SER A 103 -2.699 -4.862 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.407 -6.771 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.777 -7.856 7.437 1.00 0.00 H new ATOM 0 HG SER A 103 -4.676 -7.210 6.274 1.00 0.00 H new ATOM 1607 N THR A 104 -3.275 -5.421 10.226 1.00 0.00 N ATOM 1608 CA THR A 104 -3.630 -5.709 11.610 1.00 0.00 C ATOM 1609 C THR A 104 -5.131 -5.565 11.835 1.00 0.00 C ATOM 1610 O THR A 104 -5.567 -4.940 12.803 1.00 0.00 O ATOM 1611 CB THR A 104 -2.885 -4.778 12.586 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.060 -5.237 13.931 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.390 -3.349 12.462 1.00 0.00 C ATOM 0 H THR A 104 -3.605 -4.518 9.885 1.00 0.00 H new ATOM 0 HA THR A 104 -3.334 -6.740 11.804 1.00 0.00 H new ATOM 0 HB THR A 104 -1.825 -4.795 12.332 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.009 -5.195 14.170 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.850 -2.710 13.161 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.228 -2.993 11.445 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.455 -3.318 12.692 1.00 0.00 H new ATOM 1621 N LEU A 105 -5.917 -6.146 10.935 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.371 -6.083 11.036 1.00 0.00 C ATOM 1623 C LEU A 105 -7.990 -7.463 10.845 1.00 0.00 C ATOM 1624 O LEU A 105 -8.758 -7.933 11.686 1.00 0.00 O ATOM 1625 CB LEU A 105 -7.932 -5.111 9.996 1.00 0.00 C ATOM 1626 CG LEU A 105 -9.255 -4.434 10.355 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -9.367 -3.083 9.666 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -10.430 -5.325 9.980 1.00 0.00 C ATOM 0 H LEU A 105 -5.572 -6.666 10.128 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.627 -5.726 12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.188 -4.336 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.066 -5.651 9.059 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.277 -4.273 11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.315 -2.616 9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.544 -2.443 9.985 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.322 -3.221 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.363 -4.827 10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.412 -5.519 8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.358 -6.269 10.521 1.00 0.00 H new ATOM 1640 N HIS A 106 -7.650 -8.111 9.735 1.00 0.00 N ATOM 1641 CA HIS A 106 -8.171 -9.440 9.435 1.00 0.00 C ATOM 1642 C HIS A 106 -7.569 -10.483 10.371 1.00 0.00 C ATOM 1643 O HIS A 106 -6.631 -11.192 10.006 1.00 0.00 O ATOM 1644 CB HIS A 106 -7.875 -9.811 7.982 1.00 0.00 C ATOM 1645 CG HIS A 106 -7.959 -11.281 7.709 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -6.986 -12.207 7.542 1.00 0.00 N flip ATOM 1647 CD2 HIS A 106 -9.154 -11.955 7.579 1.00 0.00 C flip ATOM 1648 CE1 HIS A 106 -7.605 -13.412 7.316 1.00 0.00 C flip ATOM 1649 NE2 HIS A 106 -8.913 -13.233 7.344 1.00 0.00 N flip ATOM 0 H HIS A 106 -7.016 -7.737 9.029 1.00 0.00 H new ATOM 0 HA HIS A 106 -9.251 -9.422 9.585 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -8.577 -9.289 7.332 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -6.877 -9.458 7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -10.134 -11.509 7.657 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -7.104 -14.353 7.143 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -9.618 -13.958 7.207 1.00 0.00 H new ATOM 1658 N GLY A 107 -8.113 -10.571 11.581 1.00 0.00 N ATOM 1659 CA GLY A 107 -7.616 -11.529 12.551 1.00 0.00 C ATOM 1660 C GLY A 107 -8.701 -12.461 13.054 1.00 0.00 C ATOM 1661 O GLY A 107 -8.892 -12.608 14.261 1.00 0.00 O ATOM 0 H GLY A 107 -8.890 -9.995 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.817 -12.117 12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.181 -10.994 13.395 1.00 0.00 H new ATOM 1665 N GLY A 108 -9.416 -13.091 12.127 1.00 0.00 N ATOM 1666 CA GLY A 108 -10.480 -14.003 12.503 1.00 0.00 C ATOM 1667 C GLY A 108 -10.104 -14.878 13.682 1.00 0.00 C ATOM 1668 O GLY A 108 -9.388 -15.867 13.526 1.00 0.00 O ATOM 0 H GLY A 108 -9.277 -12.986 11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.374 -13.431 12.750 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.731 -14.635 11.651 1.00 0.00 H new ATOM 1672 N SER A 109 -10.587 -14.513 14.866 1.00 0.00 N ATOM 1673 CA SER A 109 -10.292 -15.270 16.077 1.00 0.00 C ATOM 1674 C SER A 109 -11.325 -14.982 17.162 1.00 0.00 C ATOM 1675 O SER A 109 -11.431 -13.858 17.652 1.00 0.00 O ATOM 1676 CB SER A 109 -8.891 -14.929 16.588 1.00 0.00 C ATOM 1677 OG SER A 109 -7.894 -15.418 15.707 1.00 0.00 O ATOM 0 H SER A 109 -11.184 -13.699 15.012 1.00 0.00 H new ATOM 0 HA SER A 109 -10.333 -16.331 15.832 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.791 -13.849 16.691 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.747 -15.359 17.579 1.00 0.00 H new ATOM 0 HG SER A 109 -8.320 -15.881 14.956 1.00 0.00 H new ATOM 1683 N GLY A 110 -12.086 -16.007 17.533 1.00 0.00 N ATOM 1684 CA GLY A 110 -13.102 -15.844 18.557 1.00 0.00 C ATOM 1685 C GLY A 110 -13.368 -17.128 19.318 1.00 0.00 C ATOM 1686 O GLY A 110 -12.605 -17.521 20.201 1.00 0.00 O ATOM 0 H GLY A 110 -12.017 -16.947 17.143 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.788 -15.069 19.256 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -14.028 -15.500 18.095 1.00 0.00 H new ATOM 1690 N PRO A 111 -14.476 -17.804 18.977 1.00 0.00 N ATOM 1691 CA PRO A 111 -14.867 -19.060 19.623 1.00 0.00 C ATOM 1692 C PRO A 111 -13.935 -20.212 19.263 1.00 0.00 C ATOM 1693 O PRO A 111 -13.939 -20.696 18.131 1.00 0.00 O ATOM 1694 CB PRO A 111 -16.273 -19.318 19.075 1.00 0.00 C ATOM 1695 CG PRO A 111 -16.306 -18.605 17.767 1.00 0.00 C ATOM 1696 CD PRO A 111 -15.430 -17.393 17.934 1.00 0.00 C ATOM 0 HA PRO A 111 -14.825 -18.990 20.710 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -16.459 -20.385 18.949 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -17.038 -18.938 19.752 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -15.939 -19.245 16.964 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -17.324 -18.318 17.505 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -14.923 -17.133 17.005 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -16.006 -16.519 18.238 1.00 0.00 H new ATOM 1704 N SER A 112 -13.137 -20.647 20.233 1.00 0.00 N ATOM 1705 CA SER A 112 -12.197 -21.740 20.017 1.00 0.00 C ATOM 1706 C SER A 112 -12.876 -23.090 20.230 1.00 0.00 C ATOM 1707 O SER A 112 -13.833 -23.202 20.995 1.00 0.00 O ATOM 1708 CB SER A 112 -10.999 -21.605 20.959 1.00 0.00 C ATOM 1709 OG SER A 112 -9.873 -22.302 20.455 1.00 0.00 O ATOM 0 H SER A 112 -13.123 -20.259 21.176 1.00 0.00 H new ATOM 0 HA SER A 112 -11.847 -21.687 18.986 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.751 -20.552 21.088 1.00 0.00 H new ATOM 0 HB3 SER A 112 -11.261 -21.994 21.943 1.00 0.00 H new ATOM 0 HG SER A 112 -9.120 -22.199 21.074 1.00 0.00 H new ATOM 1715 N SER A 113 -12.371 -24.113 19.548 1.00 0.00 N ATOM 1716 CA SER A 113 -12.930 -25.456 19.659 1.00 0.00 C ATOM 1717 C SER A 113 -11.878 -26.443 20.156 1.00 0.00 C ATOM 1718 O SER A 113 -12.116 -27.199 21.097 1.00 0.00 O ATOM 1719 CB SER A 113 -13.478 -25.916 18.307 1.00 0.00 C ATOM 1720 OG SER A 113 -14.392 -26.987 18.465 1.00 0.00 O ATOM 0 H SER A 113 -11.576 -24.038 18.913 1.00 0.00 H new ATOM 0 HA SER A 113 -13.745 -25.425 20.382 1.00 0.00 H new ATOM 0 HB2 SER A 113 -13.973 -25.082 17.809 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.655 -26.228 17.665 1.00 0.00 H new ATOM 0 HG SER A 113 -14.729 -27.262 17.587 1.00 0.00 H new ATOM 1726 N GLY A 114 -10.713 -26.428 19.516 1.00 0.00 N ATOM 1727 CA GLY A 114 -9.641 -27.326 19.906 1.00 0.00 C ATOM 1728 C GLY A 114 -8.472 -26.594 20.535 1.00 0.00 C ATOM 1729 O GLY A 114 -8.581 -26.073 21.644 1.00 0.00 O ATOM 0 H GLY A 114 -10.492 -25.811 18.735 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.026 -28.062 20.611 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.294 -27.874 19.030 1.00 0.00 H new TER 1733 GLY A 114